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- PDB-5yoy: Crystal structure of the human tumor necrosis factor in complex w... -

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Basic information

Entry
Database: PDB / ID: 5yoy
TitleCrystal structure of the human tumor necrosis factor in complex with golimumab Fv
Components
  • Golimumab heavy chain variable region
  • Golimumab light chain variable region
  • Tumor necrosis factor
KeywordsIMMUNE SYSTEM / Cytokine / Antibody
Function / homology
Function and homology information


negative regulation of L-glutamate import across plasma membrane / negative regulation of bile acid secretion / response to Gram-negative bacterium / positive regulation of neutrophil activation / positive regulation of fractalkine production / negative regulation of branching involved in lung morphogenesis / positive regulation of interleukin-33 production / positive regulation of blood microparticle formation / positive regulation of chronic inflammatory response to antigenic stimulus / response to 3,3',5-triiodo-L-thyronine ...negative regulation of L-glutamate import across plasma membrane / negative regulation of bile acid secretion / response to Gram-negative bacterium / positive regulation of neutrophil activation / positive regulation of fractalkine production / negative regulation of branching involved in lung morphogenesis / positive regulation of interleukin-33 production / positive regulation of blood microparticle formation / positive regulation of chronic inflammatory response to antigenic stimulus / response to 3,3',5-triiodo-L-thyronine / positive regulation of protein transport / positive regulation of leukocyte adhesion to arterial endothelial cell / positive regulation of vitamin D biosynthetic process / positive regulation of translational initiation by iron / regulation of membrane lipid metabolic process / regulation of endothelial cell apoptotic process / chronic inflammatory response to antigenic stimulus / response to macrophage colony-stimulating factor / regulation of branching involved in salivary gland morphogenesis / negative regulation of protein-containing complex disassembly / positive regulation of humoral immune response mediated by circulating immunoglobulin / positive regulation of hair follicle development / negative regulation of myelination / response to gold nanoparticle / negative regulation of vascular wound healing / negative regulation of cytokine production involved in immune response / negative regulation of amyloid-beta clearance / positive regulation of interleukin-18 production / inflammatory response to wounding / death receptor agonist activity / positive regulation of action potential / TNF signaling / epithelial cell proliferation involved in salivary gland morphogenesis / toll-like receptor 3 signaling pathway / embryonic digestive tract development / negative regulation of D-glucose import / leukocyte migration involved in inflammatory response / vascular endothelial growth factor production / positive regulation of fever generation / response to fructose / positive regulation of neuroinflammatory response / positive regulation of synoviocyte proliferation / positive regulation of calcineurin-NFAT signaling cascade / necroptotic signaling pathway / positive regulation of mononuclear cell migration / leukocyte tethering or rolling / positive regulation of hepatocyte proliferation / negative regulation of myoblast differentiation / positive regulation of protein-containing complex disassembly / regulation of establishment of endothelial barrier / endothelial cell apoptotic process / negative regulation of oxidative phosphorylation / cellular response to toxic substance / positive regulation of protein localization to cell surface / macrophage activation involved in immune response / negative regulation of systemic arterial blood pressure / positive regulation of osteoclast differentiation / tumor necrosis factor receptor binding / positive regulation of heterotypic cell-cell adhesion / positive regulation of macrophage derived foam cell differentiation / positive regulation of cytokine production involved in inflammatory response / regulation of immunoglobulin production / TNFR1-mediated ceramide production / negative regulation of mitotic cell cycle / positive regulation of programmed cell death / positive regulation of podosome assembly / positive regulation of membrane protein ectodomain proteolysis / positive regulation of chemokine (C-X-C motif) ligand 2 production / regulation of fat cell differentiation / regulation of canonical NF-kappaB signal transduction / response to L-glutamate / positive regulation of extrinsic apoptotic signaling pathway / positive regulation of leukocyte adhesion to vascular endothelial cell / TNFR1-induced proapoptotic signaling / negative regulation of bicellular tight junction assembly / regulation of metabolic process / regulation of reactive oxygen species metabolic process / positive regulation of DNA biosynthetic process / negative regulation of heart rate / positive regulation of amyloid-beta formation / negative regulation of viral genome replication / response to isolation stress / negative regulation of fat cell differentiation / regulation of synapse organization / negative regulation of endothelial cell proliferation / positive regulation of JUN kinase activity / positive regulation of MAP kinase activity / Interleukin-10 signaling / negative regulation of interleukin-6 production / humoral immune response / negative regulation of apoptotic signaling pathway / negative regulation of blood vessel endothelial cell migration / negative regulation of lipid storage / positive regulation of glial cell proliferation / extrinsic apoptotic signaling pathway via death domain receptors / cell surface receptor signaling pathway via JAK-STAT / negative regulation of extrinsic apoptotic signaling pathway in absence of ligand / skeletal muscle contraction / negative regulation of osteoblast differentiation / detection of mechanical stimulus involved in sensory perception of pain
Similarity search - Function
Tumour necrosis factor alpha / Tumour necrosis factor / Tumour necrosis factor, conserved site / Tumor necrosis factor (TNF) homology domain (THD) signature. / Tumour necrosis factor family. / TNF(Tumour Necrosis Factor) family / Jelly Rolls - #40 / Tumour necrosis factor domain / Tumor necrosis factor (TNF) homology domain (THD) profile. / Tumour necrosis factor-like domain superfamily ...Tumour necrosis factor alpha / Tumour necrosis factor / Tumour necrosis factor, conserved site / Tumor necrosis factor (TNF) homology domain (THD) signature. / Tumour necrosis factor family. / TNF(Tumour Necrosis Factor) family / Jelly Rolls - #40 / Tumour necrosis factor domain / Tumor necrosis factor (TNF) homology domain (THD) profile. / Tumour necrosis factor-like domain superfamily / Jelly Rolls / Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta
Similarity search - Domain/homology
Tumor necrosis factor
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.727 Å
AuthorsOno, M. / Horita, S. / Sato, Y. / Nomura, Y. / Iwata, S. / Nomura, N.
Funding support Japan, 4items
OrganizationGrant numberCountry
Japan Science and Technology Japan
Japan Society for the Promotion of Science15K06968 Japan
Japan Society for the Promotion of Science15J04343 Japan
Japan Agency of Medical Research and Development Japan
CitationJournal: Protein Sci. / Year: 2018
Title: Structural basis for tumor necrosis factor blockade with the therapeutic antibody golimumab
Authors: Ono, M. / Horita, S. / Sato, Y. / Nomura, Y. / Iwata, S. / Nomura, N.
History
DepositionOct 31, 2017Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0May 9, 2018Provider: repository / Type: Initial release
Revision 1.1Jun 20, 2018Group: Data collection / Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.2Nov 14, 2018Group: Data collection / Derived calculations / Category: pdbx_struct_assembly / pdbx_struct_assembly_gen
Revision 1.3Nov 22, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id
Revision 1.4Nov 6, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Tumor necrosis factor
B: Tumor necrosis factor
C: Tumor necrosis factor
D: Golimumab light chain variable region
E: Golimumab light chain variable region
F: Golimumab light chain variable region
G: Golimumab heavy chain variable region
H: Golimumab heavy chain variable region
I: Golimumab heavy chain variable region
J: Tumor necrosis factor
K: Tumor necrosis factor
L: Tumor necrosis factor
M: Golimumab light chain variable region
N: Golimumab light chain variable region
O: Golimumab light chain variable region
P: Golimumab heavy chain variable region
Q: Golimumab heavy chain variable region
R: Golimumab heavy chain variable region


Theoretical massNumber of molelcules
Total (without water)279,32318
Polymers279,32318
Non-polymers00
Water1,54986
1
A: Tumor necrosis factor
B: Tumor necrosis factor
C: Tumor necrosis factor
D: Golimumab light chain variable region
E: Golimumab light chain variable region
F: Golimumab light chain variable region
G: Golimumab heavy chain variable region
H: Golimumab heavy chain variable region
I: Golimumab heavy chain variable region


Theoretical massNumber of molelcules
Total (without water)139,6629
Polymers139,6629
Non-polymers00
Water1629
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
J: Tumor necrosis factor
K: Tumor necrosis factor
L: Tumor necrosis factor
M: Golimumab light chain variable region
N: Golimumab light chain variable region
O: Golimumab light chain variable region
P: Golimumab heavy chain variable region
Q: Golimumab heavy chain variable region
R: Golimumab heavy chain variable region


Theoretical massNumber of molelcules
Total (without water)139,6629
Polymers139,6629
Non-polymers00
Water1448
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)133.640, 85.300, 135.960
Angle α, β, γ (deg.)90.000, 101.610, 90.000
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain G and (resseq 1:12 or resseq 14:39 or (resid...
21(chain H and (resseq 1:12 or resseq 14:39 or (resid...
31(chain I and (resseq 1:12 or resseq 14:39 or (resid...
41(chain P and (resseq 1:12 or resseq 14:39 or (resid...
51(chain Q and (resseq 1:12 or resseq 14:39 or (resid...
61(chain R and (resseq 1:12 or resseq 14:39 or (resid...
12(chain A and (resseq 11:24 or (resid 26 and (name...
22(chain B and (resseq 11:24 or (resid 26 and (name...
32(chain C and (resseq 11:24 or (resid 26 and (name...
42(chain J and (resseq 11:24 or (resid 26 and (name...
52(chain K and (resseq 11:24 or (resid 26 and (name...
62(chain L and (resseq 11:24 or (resid 26 and (name...
13(chain D and (resseq 1:10 or (resid 11 and (name...
23(chain E and (resseq 1:10 or (resid 11 and (name...
33(chain F and (resseq 1:10 or (resid 11 and (name...
43(chain M and (resseq 1:10 or (resid 11 and (name...
53(chain N and (resseq 1:10 or (resid 11 and (name...
63(chain O and (resseq 1:10 or (resid 11 and (name...

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
111GLNGLNVALVAL(chain G and (resseq 1:12 or resseq 14:39 or (resid...GG1 - 124 - 15
121PROPROGLNGLN(chain G and (resseq 1:12 or resseq 14:39 or (resid...GG14 - 3917 - 42
131ALAALAALAALA(chain G and (resseq 1:12 or resseq 14:39 or (resid...GG4043
141GLNGLNSERSER(chain G and (resseq 1:12 or resseq 14:39 or (resid...GG1 - 1264 - 129
151GLNGLNSERSER(chain G and (resseq 1:12 or resseq 14:39 or (resid...GG1 - 1264 - 129
211GLNGLNVALVAL(chain H and (resseq 1:12 or resseq 14:39 or (resid...HH1 - 124 - 15
221PROPROGLNGLN(chain H and (resseq 1:12 or resseq 14:39 or (resid...HH14 - 3917 - 42
231ALAALAALAALA(chain H and (resseq 1:12 or resseq 14:39 or (resid...HH4043
241GLNGLNSERSER(chain H and (resseq 1:12 or resseq 14:39 or (resid...HH1 - 1264 - 129
251GLNGLNSERSER(chain H and (resseq 1:12 or resseq 14:39 or (resid...HH1 - 1264 - 129
311GLNGLNVALVAL(chain I and (resseq 1:12 or resseq 14:39 or (resid...II1 - 124 - 15
321PROPROGLNGLN(chain I and (resseq 1:12 or resseq 14:39 or (resid...II14 - 3917 - 42
331ALAALAALAALA(chain I and (resseq 1:12 or resseq 14:39 or (resid...II4043
341GLNGLNSERSER(chain I and (resseq 1:12 or resseq 14:39 or (resid...II1 - 1254 - 128
351GLNGLNSERSER(chain I and (resseq 1:12 or resseq 14:39 or (resid...II1 - 1254 - 128
411GLNGLNVALVAL(chain P and (resseq 1:12 or resseq 14:39 or (resid...PP1 - 124 - 15
421PROPROGLNGLN(chain P and (resseq 1:12 or resseq 14:39 or (resid...PP14 - 3917 - 42
431ALAALAALAALA(chain P and (resseq 1:12 or resseq 14:39 or (resid...PP4043
441GLNGLNSERSER(chain P and (resseq 1:12 or resseq 14:39 or (resid...PP1 - 1264 - 129
451GLNGLNSERSER(chain P and (resseq 1:12 or resseq 14:39 or (resid...PP1 - 1264 - 129
511GLNGLNVALVAL(chain Q and (resseq 1:12 or resseq 14:39 or (resid...QQ1 - 124 - 15
521PROPROGLNGLN(chain Q and (resseq 1:12 or resseq 14:39 or (resid...QQ14 - 3917 - 42
531ALAALAALAALA(chain Q and (resseq 1:12 or resseq 14:39 or (resid...QQ4043
541GLNGLNSERSER(chain Q and (resseq 1:12 or resseq 14:39 or (resid...QQ1 - 1264 - 129
551GLNGLNSERSER(chain Q and (resseq 1:12 or resseq 14:39 or (resid...QQ1 - 1264 - 129
611GLNGLNVALVAL(chain R and (resseq 1:12 or resseq 14:39 or (resid...RR1 - 124 - 15
621PROPROGLNGLN(chain R and (resseq 1:12 or resseq 14:39 or (resid...RR14 - 3917 - 42
631ALAALAALAALA(chain R and (resseq 1:12 or resseq 14:39 or (resid...RR4043
641GLNGLNSERSER(chain R and (resseq 1:12 or resseq 14:39 or (resid...RR1 - 1264 - 129
651GLNGLNSERSER(chain R and (resseq 1:12 or resseq 14:39 or (resid...RR1 - 1264 - 129
112LYSLYSGLYGLY(chain A and (resseq 11:24 or (resid 26 and (name...AA11 - 2419 - 32
122LEULEULEULEU(chain A and (resseq 11:24 or (resid 26 and (name...AA2634
132ARGARGSERSER(chain A and (resseq 11:24 or (resid 26 and (name...AA6 - 15914 - 167
142ARGARGSERSER(chain A and (resseq 11:24 or (resid 26 and (name...AA6 - 15914 - 167
152ARGARGSERSER(chain A and (resseq 11:24 or (resid 26 and (name...AA6 - 15914 - 167
162ARGARGSERSER(chain A and (resseq 11:24 or (resid 26 and (name...AA6 - 15914 - 167
172ARGARGSERSER(chain A and (resseq 11:24 or (resid 26 and (name...AA6 - 15914 - 167
182ARGARGSERSER(chain A and (resseq 11:24 or (resid 26 and (name...AA6 - 15914 - 167
212LYSLYSGLYGLY(chain B and (resseq 11:24 or (resid 26 and (name...BB11 - 2419 - 32
222LEULEULEULEU(chain B and (resseq 11:24 or (resid 26 and (name...BB2634
232ARGARGSERSER(chain B and (resseq 11:24 or (resid 26 and (name...BB6 - 15914 - 167
242ARGARGSERSER(chain B and (resseq 11:24 or (resid 26 and (name...BB6 - 15914 - 167
252ARGARGSERSER(chain B and (resseq 11:24 or (resid 26 and (name...BB6 - 15914 - 167
262ARGARGSERSER(chain B and (resseq 11:24 or (resid 26 and (name...BB6 - 15914 - 167
272ARGARGSERSER(chain B and (resseq 11:24 or (resid 26 and (name...BB6 - 15914 - 167
282ARGARGSERSER(chain B and (resseq 11:24 or (resid 26 and (name...BB6 - 15914 - 167
312LYSLYSGLYGLY(chain C and (resseq 11:24 or (resid 26 and (name...CC11 - 2419 - 32
322LEULEULEULEU(chain C and (resseq 11:24 or (resid 26 and (name...CC2634
332ARGARGSERSER(chain C and (resseq 11:24 or (resid 26 and (name...CC6 - 15914 - 167
342ARGARGSERSER(chain C and (resseq 11:24 or (resid 26 and (name...CC6 - 15914 - 167
352ARGARGSERSER(chain C and (resseq 11:24 or (resid 26 and (name...CC6 - 15914 - 167
362ARGARGSERSER(chain C and (resseq 11:24 or (resid 26 and (name...CC6 - 15914 - 167
372ARGARGSERSER(chain C and (resseq 11:24 or (resid 26 and (name...CC6 - 15914 - 167
382ARGARGSERSER(chain C and (resseq 11:24 or (resid 26 and (name...CC6 - 15914 - 167
412LYSLYSGLYGLY(chain J and (resseq 11:24 or (resid 26 and (name...JJ11 - 2419 - 32
422LEULEULEULEU(chain J and (resseq 11:24 or (resid 26 and (name...JJ2634
432ARGARGTHRTHR(chain J and (resseq 11:24 or (resid 26 and (name...JJ6 - 15814 - 166
442ARGARGTHRTHR(chain J and (resseq 11:24 or (resid 26 and (name...JJ6 - 15814 - 166
452ARGARGTHRTHR(chain J and (resseq 11:24 or (resid 26 and (name...JJ6 - 15814 - 166
462ARGARGTHRTHR(chain J and (resseq 11:24 or (resid 26 and (name...JJ6 - 15814 - 166
472ARGARGTHRTHR(chain J and (resseq 11:24 or (resid 26 and (name...JJ6 - 15814 - 166
482ARGARGTHRTHR(chain J and (resseq 11:24 or (resid 26 and (name...JJ6 - 15814 - 166
512LYSLYSGLYGLY(chain K and (resseq 11:24 or (resid 26 and (name...KK11 - 2419 - 32
522LEULEULEULEU(chain K and (resseq 11:24 or (resid 26 and (name...KK2634
532ARGARGTHRTHR(chain K and (resseq 11:24 or (resid 26 and (name...KK6 - 15814 - 166
542ARGARGTHRTHR(chain K and (resseq 11:24 or (resid 26 and (name...KK6 - 15814 - 166
552ARGARGTHRTHR(chain K and (resseq 11:24 or (resid 26 and (name...KK6 - 15814 - 166
562ARGARGTHRTHR(chain K and (resseq 11:24 or (resid 26 and (name...KK6 - 15814 - 166
572ARGARGTHRTHR(chain K and (resseq 11:24 or (resid 26 and (name...KK6 - 15814 - 166
582ARGARGTHRTHR(chain K and (resseq 11:24 or (resid 26 and (name...KK6 - 15814 - 166
612LYSLYSGLYGLY(chain L and (resseq 11:24 or (resid 26 and (name...LL11 - 2419 - 32
622LEULEULEULEU(chain L and (resseq 11:24 or (resid 26 and (name...LL2634
632ARGARGTHRTHR(chain L and (resseq 11:24 or (resid 26 and (name...LL6 - 15814 - 166
642ARGARGTHRTHR(chain L and (resseq 11:24 or (resid 26 and (name...LL6 - 15814 - 166
652ARGARGTHRTHR(chain L and (resseq 11:24 or (resid 26 and (name...LL6 - 15814 - 166
662ARGARGTHRTHR(chain L and (resseq 11:24 or (resid 26 and (name...LL6 - 15814 - 166
672ARGARGTHRTHR(chain L and (resseq 11:24 or (resid 26 and (name...LL6 - 15814 - 166
682ARGARGTHRTHR(chain L and (resseq 11:24 or (resid 26 and (name...LL6 - 15814 - 166
113GLUGLUTHRTHR(chain D and (resseq 1:10 or (resid 11 and (name...DD1 - 104 - 13
123LEULEULEULEU(chain D and (resseq 1:10 or (resid 11 and (name...DD1114
133GLUGLULYSLYS(chain D and (resseq 1:10 or (resid 11 and (name...DD1 - 1084 - 111
143GLUGLULYSLYS(chain D and (resseq 1:10 or (resid 11 and (name...DD1 - 1084 - 111
153GLUGLULYSLYS(chain D and (resseq 1:10 or (resid 11 and (name...DD1 - 1084 - 111
163GLUGLULYSLYS(chain D and (resseq 1:10 or (resid 11 and (name...DD1 - 1084 - 111
173GLUGLULYSLYS(chain D and (resseq 1:10 or (resid 11 and (name...DD1 - 1084 - 111
183GLUGLULYSLYS(chain D and (resseq 1:10 or (resid 11 and (name...DD1 - 1084 - 111
213GLUGLUTHRTHR(chain E and (resseq 1:10 or (resid 11 and (name...EE1 - 104 - 13
223LEULEULEULEU(chain E and (resseq 1:10 or (resid 11 and (name...EE1114
233GLUGLULYSLYS(chain E and (resseq 1:10 or (resid 11 and (name...EE1 - 1084 - 111
243GLUGLULYSLYS(chain E and (resseq 1:10 or (resid 11 and (name...EE1 - 1084 - 111
253GLUGLULYSLYS(chain E and (resseq 1:10 or (resid 11 and (name...EE1 - 1084 - 111
263GLUGLULYSLYS(chain E and (resseq 1:10 or (resid 11 and (name...EE1 - 1084 - 111
273GLUGLULYSLYS(chain E and (resseq 1:10 or (resid 11 and (name...EE1 - 1084 - 111
283GLUGLULYSLYS(chain E and (resseq 1:10 or (resid 11 and (name...EE1 - 1084 - 111
313GLUGLUTHRTHR(chain F and (resseq 1:10 or (resid 11 and (name...FF1 - 104 - 13
323LEULEULEULEU(chain F and (resseq 1:10 or (resid 11 and (name...FF1114
333GLUGLULYSLYS(chain F and (resseq 1:10 or (resid 11 and (name...FF1 - 1084 - 111
343GLUGLULYSLYS(chain F and (resseq 1:10 or (resid 11 and (name...FF1 - 1084 - 111
353GLUGLULYSLYS(chain F and (resseq 1:10 or (resid 11 and (name...FF1 - 1084 - 111
363GLUGLULYSLYS(chain F and (resseq 1:10 or (resid 11 and (name...FF1 - 1084 - 111
373GLUGLULYSLYS(chain F and (resseq 1:10 or (resid 11 and (name...FF1 - 1084 - 111
383GLUGLULYSLYS(chain F and (resseq 1:10 or (resid 11 and (name...FF1 - 1084 - 111
413GLUGLUTHRTHR(chain M and (resseq 1:10 or (resid 11 and (name...MM1 - 104 - 13
423LEULEULEULEU(chain M and (resseq 1:10 or (resid 11 and (name...MM1114
433GLUGLULYSLYS(chain M and (resseq 1:10 or (resid 11 and (name...MM1 - 1084 - 111
443GLUGLULYSLYS(chain M and (resseq 1:10 or (resid 11 and (name...MM1 - 1084 - 111
453GLUGLULYSLYS(chain M and (resseq 1:10 or (resid 11 and (name...MM1 - 1084 - 111
463GLUGLULYSLYS(chain M and (resseq 1:10 or (resid 11 and (name...MM1 - 1084 - 111
473GLUGLULYSLYS(chain M and (resseq 1:10 or (resid 11 and (name...MM1 - 1084 - 111
483GLUGLULYSLYS(chain M and (resseq 1:10 or (resid 11 and (name...MM1 - 1084 - 111
513GLUGLUTHRTHR(chain N and (resseq 1:10 or (resid 11 and (name...NN1 - 104 - 13
523LEULEULEULEU(chain N and (resseq 1:10 or (resid 11 and (name...NN1114
533GLUGLULYSLYS(chain N and (resseq 1:10 or (resid 11 and (name...NN1 - 1084 - 111
543GLUGLULYSLYS(chain N and (resseq 1:10 or (resid 11 and (name...NN1 - 1084 - 111
553GLUGLULYSLYS(chain N and (resseq 1:10 or (resid 11 and (name...NN1 - 1084 - 111
563GLUGLULYSLYS(chain N and (resseq 1:10 or (resid 11 and (name...NN1 - 1084 - 111
573GLUGLULYSLYS(chain N and (resseq 1:10 or (resid 11 and (name...NN1 - 1084 - 111
583GLUGLULYSLYS(chain N and (resseq 1:10 or (resid 11 and (name...NN1 - 1084 - 111
613GLUGLUTHRTHR(chain O and (resseq 1:10 or (resid 11 and (name...OO1 - 104 - 13
623LEULEULEULEU(chain O and (resseq 1:10 or (resid 11 and (name...OO1114
633GLUGLULYSLYS(chain O and (resseq 1:10 or (resid 11 and (name...OO1 - 1084 - 111
643GLUGLULYSLYS(chain O and (resseq 1:10 or (resid 11 and (name...OO1 - 1084 - 111
653GLUGLULYSLYS(chain O and (resseq 1:10 or (resid 11 and (name...OO1 - 1084 - 111
663GLUGLULYSLYS(chain O and (resseq 1:10 or (resid 11 and (name...OO1 - 1084 - 111
673GLUGLULYSLYS(chain O and (resseq 1:10 or (resid 11 and (name...OO1 - 1084 - 111
683GLUGLULYSLYS(chain O and (resseq 1:10 or (resid 11 and (name...OO1 - 1084 - 111

NCS ensembles :
ID
1
2
3

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Components

#1: Protein
Tumor necrosis factor / Cachectin / TNF-alpha / Tumor necrosis factor ligand superfamily member 2 / TNF-a


Mass: 19350.666 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: TNF, TNFA, TNFSF2 / Production host: Brevibacillus choshinensis (bacteria) / References: UniProt: P01375
#2: Antibody
Golimumab light chain variable region


Mass: 13022.391 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Brevibacillus choshinensis (bacteria)
#3: Antibody
Golimumab heavy chain variable region


Mass: 14180.830 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Brevibacillus choshinensis (bacteria)
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 86 / Source method: isolated from a natural source / Formula: H2O
Has protein modificationY
Sequence detailsAUTHORS STATE THAT 158THR/159SER ARE DUE TO RISTRICTION ENZYME, AND ...AUTHORS STATE THAT 158THR/159SER ARE DUE TO RISTRICTION ENZYME, AND 160GLU/161ASN/162LEU/163TYR/164PHE/165GLN ARE DUE TO PROTEASE CLEAVAGE.

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.96 Å3/Da / Density % sol: 58.47 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop
Details: 0.1M sodium acetate trihydrate pH 4.6, 1.4M sodium chloride

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SPring-8 / Beamline: BL41XU / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Oct 8, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.73→46.25 Å / Num. obs: 77915 / % possible obs: 97.1 % / Observed criterion σ(I): -3 / Redundancy: 3.428 % / CC1/2: 0.993 / Rmerge(I) obs: 0.107 / Rrim(I) all: 0.127 / Χ2: 1.067 / Net I/σ(I): 9.47 / Num. measured all: 267101 / Scaling rejects: 2
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. measured obsNum. possibleNum. unique obsCC1/2Rrim(I) all% possible all
2.73-2.83.520.9881.4819144586354390.5391.16392.8
2.8-2.873.5510.8231.8820094576256590.6150.9798.2
2.87-2.963.4790.6462.4119181560755140.7410.76498.3
2.96-3.053.4480.5693.0518624548154010.8170.67498.5
3.05-3.153.3550.4293.9817173522751190.8530.51197.9
3.15-3.263.2360.3115.1615890510749100.9030.37396.1
3.26-3.383.6090.2646.6617369489748130.9560.3198.3
3.38-3.523.5530.1848.7216676477146930.9730.21798.4
3.52-3.683.4980.14310.315669455544800.9810.16998.4
3.68-3.863.4780.11611.7414823433642620.9850.13798.3
3.86-4.073.3540.09213.413629416240630.9880.10997.6
4.07-4.313.1710.07215.0511711391536930.9910.08694.3
4.31-4.613.5290.06517.8312662368935880.9920.07797.3
4.61-4.983.4720.06218.3711699345133700.9920.07497.7
4.98-5.453.4270.06118.3210525317830710.9920.07296.6
5.45-6.13.1990.06516.498896289027810.9910.07996.2
6.1-7.043.3210.06317.478051254824240.9910.07595.1
7.04-8.623.3970.05519.557184215721150.9930.06598.1
8.62-12.23.1640.04820.825100171416120.9940.05794
12.2-46.253.3050.04621.4630019599080.9970.05594.7

-
Processing

Software
NameVersionClassification
PHENIXdev_2210refinement
XSCALEdata scaling
PDB_EXTRACT3.22data extraction
XDSdata reduction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 1A8M, 5B8C

1a8m

5b8c


Resolution: 2.727→46.25 Å / SU ML: 0.43 / Cross valid method: FREE R-VALUE / σ(F): 1.37 / Phase error: 25.88 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2335 3936 5.05 %
Rwork0.19 73966 -
obs0.1922 77902 97.11 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 213.52 Å2 / Biso mean: 77.8314 Å2 / Biso min: 33.46 Å2
Refinement stepCycle: final / Resolution: 2.727→46.25 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms18030 0 0 86 18116
Biso mean---59.3 -
Num. residues----2324
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00318480
X-RAY DIFFRACTIONf_angle_d0.67225132
X-RAY DIFFRACTIONf_chiral_restr0.0472714
X-RAY DIFFRACTIONf_plane_restr0.0053266
X-RAY DIFFRACTIONf_dihedral_angle_d14.06810964
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11G3306X-RAY DIFFRACTION10.295TORSIONAL
12H3306X-RAY DIFFRACTION10.295TORSIONAL
13I3306X-RAY DIFFRACTION10.295TORSIONAL
14P3306X-RAY DIFFRACTION10.295TORSIONAL
15Q3306X-RAY DIFFRACTION10.295TORSIONAL
16R3306X-RAY DIFFRACTION10.295TORSIONAL
21A3735X-RAY DIFFRACTION10.295TORSIONAL
22B3735X-RAY DIFFRACTION10.295TORSIONAL
23C3735X-RAY DIFFRACTION10.295TORSIONAL
24J3735X-RAY DIFFRACTION10.295TORSIONAL
25K3735X-RAY DIFFRACTION10.295TORSIONAL
26L3735X-RAY DIFFRACTION10.295TORSIONAL
31D2851X-RAY DIFFRACTION10.295TORSIONAL
32E2851X-RAY DIFFRACTION10.295TORSIONAL
33F2851X-RAY DIFFRACTION10.295TORSIONAL
34M2851X-RAY DIFFRACTION10.295TORSIONAL
35N2851X-RAY DIFFRACTION10.295TORSIONAL
36O2851X-RAY DIFFRACTION10.295TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 28

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.7273-2.76060.39911320.35432325245787
2.7606-2.79550.34441420.34412639278199
2.7955-2.83230.3341280.3172711283998
2.8323-2.87110.36431430.3232615275898
2.8711-2.91210.35261520.30852659281198
2.9121-2.95550.32771540.29542648280298
2.9555-3.00170.31381370.27482649278699
3.0017-3.05090.31181390.26532725286499
3.0509-3.10350.25461610.25782600276198
3.1035-3.15990.31781460.2472637278397
3.1599-3.22070.31131270.24632567269495
3.2207-3.28640.27741410.23312665280698
3.2864-3.35790.30391270.23662657278498
3.3579-3.43590.27711330.22312687282098
3.4359-3.52180.26021550.21092667282298
3.5218-3.6170.2091190.19282676279598
3.617-3.72340.24961490.19162664281398
3.7234-3.84350.23151480.18992655280398
3.8435-3.98080.22771490.1792663281298
3.9808-4.14010.23341200.16742655277597
4.1401-4.32840.19461570.15232539269694
4.3284-4.55640.14831520.13762632278497
4.5564-4.84160.17831450.13352662280798
4.8416-5.2150.17071130.14082674278797
5.215-5.73890.19951300.15482683281397
5.7389-6.56730.2551410.17412605274694
6.5673-8.26650.2141600.17162681284198
8.2665-46.25680.20511360.16992726286295
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
15.4107-4.09061.45926.438-0.32186.3688-1.43234.4586-1.9731-1.69750.7952-0.03850.51670.28540.56841.1467-0.2144-0.00771.5449-0.1370.4908223.8106-423.4674263.8461
22.32971.328-2.41476.94-2.17262.6055-0.4721.0689-0.1637-1.2822-0.7131-0.3239-0.00821.14721.21831.0663-0.409-0.12031.53170.17290.7542234.1807-416.2948266.4538
35.91320.31590.85512.4207-0.09744.2985-0.64971.48030.2294-0.8810.41160.1818-0.69990.52170.23530.7637-0.2973-0.08060.78770.13880.4341226.942-417.3419273.2406
45.54373.8161-1.90044.76052.80918.791-0.27590.80851.8715-0.6934-0.44120.9239-1.9585-0.35870.69570.9014-0.1148-0.25070.57870.10770.7398221.0608-410.4442279.5708
53.46570.57843.67122.2356-0.57165.5734-0.3619-1.4782-0.2402-0.10120.1532-0.3263-0.53260.1120.33290.5389-0.19170.00950.714-0.02070.4174237.4574-419.7152286.897
65.0172-1.59334.75683.5192-1.46794.9739-1.22630.16122.1007-0.5501-0.01160.629-0.9165-0.11941.1351.0683-0.1093-0.3240.91780.11880.6864219.2177-411.2056271.7682
73.15993.71132.77654.54011.98776.6882-0.45320.8782-0.1873-0.93220.5287-0.1773-0.3710.4746-0.01150.8291-0.280.00140.7858-0.00720.489230.6663-420.2124274.2422
88.91312.41141.83228.98996.26494.4025-1.04250.34251.067-0.6682-0.15581.1306-1.6121-2.11791.43670.83050.0319-0.19730.82570.05540.7117206.8902-419.9091284.3099
94.34354.54153.24387.41155.19013.62550.1446-0.63091.5093-0.5751-0.49560.5241-1.0275-2.53370.48820.67310.1196-0.01390.9358-0.21241.1103210.3764-417.0785294.7976
108.7773.14622.53513.34361.84827.5697-0.26310.28070.5695-0.2657-0.06310.9029-0.1293-1.17350.2360.5156-0.0293-0.04940.5713-0.02630.5157210.3176-425.4742287.5055
112.13192.06082.11122.04342.01712.051-0.4155-0.5246-1.4888-0.38470.4327-2.09461.3988-0.3539-0.40380.878-0.0294-0.02540.5507-0.03030.6298233.1549-424.8698305.6816
124.11211.51193.10182.47292.43673.7096-0.0049-1.20570.30870.561-0.3790.79330.5035-0.96880.34860.6754-0.18090.13080.5624-0.05060.5623214.7538-435.8385293.8675
136.70386.19917.98865.96897.37369.37490.02660.7717-1.24090.02630.7917-1.54380.18550.5229-0.9120.8179-0.0831-0.0090.6186-0.1140.6898239.6626-419.0647304.4465
148.02065.90556.01546.36473.48934.5571-1.16480.84660.1231-1.05830.8680.0741-0.58630.4920.41330.7686-0.20790.05970.6025-0.02380.3217222.7449-427.0076288.489
153.72313.18085.90863.25985.41329.71611.0852-0.122-0.00211.4256-0.8826-0.10311.4329-0.9584-0.30860.7715-0.2007-0.0060.6890.04450.5812208.0252-433.1749291.3468
168.42665.03964.97224.86743.9258.3461-0.72750.36340.4479-0.59730.43460.5459-0.9757-0.470.20130.5909-0.023-0.00350.43480.01580.3892217.5671-421.8483290.5519
177.5393-2.36384.42038.7036-2.02518.24420.70030.0576-1.851.1750.3510.4191.366-0.7027-1.08441.3667-0.3945-0.39850.78030.05471.0688221.1844-445.9109276.4929
184.9096-1.23583.46811.6814-2.11595.5899-0.01880.9624-0.3417-0.2233-0.0123-0.05420.10040.9139-0.0690.6265-0.11760.10760.6882-0.02560.4081234.723-434.8589280.6817
198.5843-3.10526.082.2366-1.9555.8286-0.0047-0.5391-0.53240.03290.36590.39760.5297-0.6692-0.49670.8377-0.24790.00860.64140.0490.4413227.5651-439.0577283.2196
202.02740.70651.02832.5333-1.4685.4714-0.0863-0.1821-0.29560.4559-0.10510.3806-0.1035-0.88590.17980.74120.08710.13380.4877-0.02570.5352216.9165-414.9264329.5358
215.3119-5.5708-6.8945.88287.26989.10811.40522.44780.2281-0.9028-1.50790.0107-0.0448-1.57940.07040.58470.07050.04010.6401-0.02010.4424217.8442-417.872311.8343
228.14724.2907-1.49784.4310.97934.06020.9231-0.57010.32920.8243-0.4204-0.1027-0.97050.2529-0.49270.8234-0.04170.02030.27390.01220.3899229.3887-410.1286326.6029
234.41410.7250.87894.13632.39322.1366-0.0077-0.0473-0.0820.1963-0.16160.1790.72830.11360.01160.6501-0.00020.08160.32180.06070.3512226.6884-420.6339324.4166
242.52840.0843.51113.6831-0.87425.1983-0.394-0.21610.24080.69091.3137-0.4522-0.3012-0.7485-0.22890.67120.0450.14690.45640.00450.4588228.633-415.6994338.491
252.6875-1.5184-0.71178.03344.6192.90610.01550.17470.025-0.0779-0.33950.5486-0.8442-0.37170.25720.6215-0.04860.00240.30590.05450.3532221.4715-409.103318.0764
264.0641-1.481-0.60352.90353.7575.38490.4562-1.76981.92690.70650.04480.3555-0.15541.3875-1.06241.15850.0163-0.00480.7629-0.12440.6447220.6145-409.7545340.5305
274.1413-3.4618-4.69416.62313.11145.2996-0.04441.453-1.7603-0.02210.3397-1.31180.43521.0138-0.20010.78730.0950.11370.8343-0.29981.1175258.3802-463.9353293.8358
284.4918-5.19735.62636.418-6.03818.0183-0.61161.4029-1.2568-1.1948-0.005-0.92631.03520.86830.5051.007-0.10520.38150.9406-0.25950.9707255.7021-460.6592290.2426
299.3132-0.75816.05879.63450.79684.3649-0.34860.7226-1.0554-0.24160.61070.2538-0.04830.4-0.21490.51670.00260.08250.7271-0.03320.5596249.8751-452.9487294.222
308.41913.3434-3.01719.0864-6.66755.04290.7032-0.4132-0.53150.0417-0.684-1.45130.9613.2206-0.08080.67510.1383-0.03830.8096-0.13160.7624259.7921-454.4704305.994
313.79843.29471.77915.4457-1.84135.22980.6648-0.43660.1623-0.24580.438-1.2041-0.62691.4193-1.01170.72630.03150.2091.0171-0.28910.859261.2556-446.6978296.306
325.01691.9304-3.03268.1143-2.92892.8788-0.30040.733-0.0715-0.44510.1761-1.46480.45691.28440.04990.74290.00210.18291.0919-0.30690.9224262.5482-456.3701294.0003
336.2104-6.34396.85796.4576-6.97377.62110.12810.5212-0.7413-0.99190.3404-1.00310.76850.524-0.45010.62340.01950.09470.6334-0.23290.9094253.2472-457.6704299.4898
343.788-4.2125-3.28588.39252.43283.0877-0.07430.04-0.6088-1.40980.64060.12750.80210.0418-0.53460.75530.00050.09090.642-0.03850.5655244.3664-455.1996298.3692
352.7421-0.5995-2.58716.88822.56023.0461-0.912-2.34331.3532.20180.8252-1.7134-0.25760.19720.12381.44190.3846-0.0310.9644-0.32911.3337266.0939-468.0101300.9747
367.7744-1.7756-4.18672.9717-1.01743.92990.24970.28810.8611-2.58120.0102-0.2211-0.53030.8707-0.3821.1362-0.20030.03741.0598-0.00620.6269252.3303-399.8167268.3076
375.12745.1791.8775.33712.10361.1068-0.04320.7584-0.4021-1.53570.931-1.2544-1.13990.2951-1.14961.7135-0.58980.5181.118-0.03151.2154260.6822-382.5997278.2654
388.45345.03616.03943.9064.2434.7839-1.71052.27941.985-2.38131.94840.7079-2.44230.4872-0.25511.4219-0.45650.18181.21640.38661.1987252.292-391.877274.8727
394.854-1.1224-2.87132.649-1.62033.8604-0.06390.92850.8958-1.0701-0.37770.19570.89930.4916-0.02191.3878-0.54060.12541.01930.27470.6249244.9705-404.5266274.829
406.90090.1882-4.24187.6658-1.9023.50080.1194-0.56120.51590.28540.0704-1.1728-0.24591.1963-0.09880.971-0.70870.39391.4418-0.2240.7995263.1609-399.1415282.0662
419.27595.07825.95537.77995.36274.74650.653-0.9006-0.45180.3297-0.2222-0.5944-0.7554-0.5346-0.43191.171-0.50690.26571.4537-0.20860.7276255.3198-397.6758289.6112
427.8958.08046.82318.46217.17268.3831-1.07391.792.26491.61790.83751.4592-0.94971.50160.1621.8187-0.3630.37680.904-0.10131.023250.9634-393.8548283.9115
439.91017.99168.06769.18587.73579.5316-1.18280.78592.1641-1.03230.88421.8959-2.14770.26290.50581.3816-0.37970.19280.85850.11171.1102250.093-393.3316278.7109
447.4995-6.1982-3.77165.34523.73713.8462-1.2280.2294-0.91730.5979-0.09050.2289-1.98582.05641.18641.4864-0.72610.22511.4677-0.06351.0985264.6795-386.576285.422
455.7783.717-0.36124.5172-0.43180.09870.68840.16351.88530.44650.11090.1661-1.33461.165-0.55290.2842-1.5161.3360.94240.3919-0.1084259.0745-399.2782276.4056
465.41781.9619-0.05673.0396-0.8140.88180.1660.266-0.01120.06450.2165-0.4951-0.93030.0601-0.50880.9797-0.46010.18131.0051-0.08990.5522254.763-406.6362272.7438
471.4481-3.99322.40991.9958-6.56983.9341-0.96440.7554-0.6892.2568-0.9158-1.12961.7113-1.4105-0.3371.8106-0.56960.36351.2411-0.37160.9193267.0889-383.898276.2207
488.8262-3.67531.43768.40962.81263.0935-0.2163-0.34690.45570.11770.23240.1998-0.88330.12120.20760.8736-0.09320.15450.35520.04690.4719234.6101-390.1909319.4458
495.7006-6.4315-1.25977.44091.40840.27830.5232-0.4613-0.08320.32780.1115-0.0031-1.03560.6215-0.36651.1959-0.05450.12670.29110.01070.6282238.1685-393.2192315.1974
504.0713-1.44530.79572.8731-0.20240.7514-0.30830.278-0.16170.22980.1365-0.0883-0.26310.06450.17240.685-0.052-0.01340.3514-0.01260.3397236.164-403.1344314.0266
512.58270.61580.7533.35683.3863.41930.52410.1450.4230.2254-0.37360.4903-0.6614-0.88710.06760.75730.01760.00660.2880.03030.4849224.7595-400.1124317.929
527.7249-1.6172-4.07973.9781.04132.9101-0.28891.4450.4728-1.01150.2397-0.4921-0.0117-0.7574-0.06430.8852-0.0088-0.12980.51240.12070.4986231.6174-402.9388303.5085
535.9696-0.9050.33354.2054-0.60553.40050.19480.43060.4435-0.5188-0.0989-0.0526-0.6295-0.0283-0.09910.88930.00980.06160.36240.05460.4969232.3505-394.5277309.4351
548.0918-7.2299-4.55726.20334.02436.3830.09180.3443-0.16210.4986-0.26920.7232-0.5821-0.42050.12330.9206-0.0720.08260.40420.02830.5386227.035-394.1485317.8202
555.21184.44534.44795.22456.21879.4891-0.11480.34810.04670.4771-0.01170.11580.40140.60340.09320.64170.00640.01040.31130.04740.361231.412-411.0244312.9409
563.1555-1.1672-0.6870.5420.07560.53390.3287-0.14340.75980.3244-0.22720.47010.5086-0.35931.28421.6552-0.06220.2916-0.1909-0.290.5641226.5169-386.3115323.5951
572.81752.01310.04158.2319-1.25583.94120.0809-0.10890.05860.9458-0.1963-0.00680.07540.24290.10270.67970.0822-0.00350.4572-0.06480.5276246.7662-450.1462317.3106
588.0829-6.24085.34829.1954-6.76775.76150.58290.3941-1.3862-1.0620.32481.67050.67341.1002-0.5651.068-0.0545-0.02980.5817-0.19340.7327245.0481-457.4245307.9266
597.1435.24797.69684.43426.46779.4866-1.07991.14250.7757-0.84580.7144-0.015-0.73270.28690.3220.6566-0.11250.14670.50850.09040.6667237.0377-443.3665307.9345
603.45022.7421.27216.6592-1.3378.46120.4269-0.50850.07441.5066-0.29770.4240.4287-0.2909-0.1110.66510.07230.2060.3724-0.01550.615238.9566-449.6571315.7733
618.39677.1659-4.76629.0327-8.62969.50870.11430.4477-0.59270.77480.35940.40480.677-0.2767-0.5191.0090.0730.110.4398-0.06070.6683243.6171-458.2032314.2169
626.84730.915-2.5096.46940.90922.15740.8509-0.4443-0.13421.1695-0.59750.19950.31690.3207-0.07230.6726-0.07710.03940.59620.02370.4283242.7082-442.7447297.5738
636.689-4.21312.10243.82020.07242.9380.21210.53210.4081-0.1319-0.7013-0.44270.56532.25470.66970.5709-0.21810.05330.5685-0.14470.5216252.2898-447.3249306.2746
646.8265.4568-3.66164.3722-2.59124.05680.1846-0.3989-1.06721.75-1.6349-1.1511.090.33371.27831.1951-0.04020.15960.45230.03720.7092245.1206-464.829321.2458
652.8684-0.97522.51452.5507-0.81122.22240.3818-0.7785-0.2762-0.29070.1885-0.8021-0.2331.3945-0.57040.8012-0.510.11451.3966-0.22410.6632270.8801-415.9757279.5179
665.0319-1.63432.8725.95832.50363.7947-0.05730.6790.4494-0.81640.0593-0.478-0.19010.05220.0190.9806-0.39730.15661.0943-0.11410.4748264.2452-409.1569272.1646
677.40391.0716-2.46923.5224-4.66316.32510.2989-0.5759-0.8138-0.2821-0.21360.44650.6016-0.1424-0.29570.8612-0.36530.08421.1905-0.17580.6322257.1669-422.3345278.0501
685.6759-4.2213.20058.48780.17717.9618-0.10410.8566-1.0861-1.25830.39720.4960.3809-0.745-0.28660.8618-0.48430.18391.2192-0.17180.7212264.3892-419.913270.6224
699.0414-1.5518-3.28669.411-2.93532.56980.5402-1.4213-0.731-0.46840.63650.2864-0.28981.6063-1.14880.7901-0.2460.02031.1717-0.14420.5561270.0142-422.843280.451
706.98210.3614-4.91388.07553.04294.69010.0766-0.01090.2025-1.1170.4643-0.2772-0.6023-0.1745-0.59170.9403-0.5560.13621.4256-0.12450.5799269.6105-412.3257271.1754
716.7479-0.0652-2.33346.40520.82961.06280.1666-0.3443-0.9308-1.08270.5656-0.2735-0.92481.3973-0.71710.5429-0.27030.06480.79830.01120.5446249.6335-414.003281.4413
720.9213-0.87160.38580.8885-0.40350.16931.1093-1.03120.6694-0.1333-0.4169-0.6233-0.73590.9182-0.12010.8623-0.62420.16391.3991-0.42260.748267.1878-409.255279.0724
732.86134.5388-1.85128.2503-0.04588.6012-1.5002-4.26371.25981.33580.5241.2243-2.2835-0.57850.58361.07160.17610.23341.5652-0.36880.7668224.4792-428.709250.7685
747.7603-0.84682.69735.3638-3.89824.96770.1383-2.18620.16950.5373-0.3790.1099-0.39270.91070.33311.1322-0.14720.26731.5814-0.0080.6646228.7994-434.7847252.4536
752.3652-2.2728-0.93352.9839-0.04842.2229-0.2221-0.5389-0.9730.2027-0.00550.75440.3784-0.47790.18530.5935-0.0170.11460.63930.01620.5782228.5775-434.2531242.4701
769.3214-0.12622.4716-0.0021-0.01610.6441-0.62681.1688-0.38330.280.2570.72150.48551.29340.24780.83220.21950.08690.89260.09950.4848252.784-439.8536234.0893
772.1943-1.025-0.57084.89310.12986.2668-0.2223-0.7131-1.9099-0.2265-0.55740.88371.4841-0.39310.62020.8651-0.03530.12730.6856-0.07640.8988228.5716-441.9282235.7763
782.1546-0.8123-0.32574.61441.50884.5668-0.20150.88810.0292-0.1515-0.2151-1.03820.26750.35750.35130.62760.1382-0.02950.87330.09110.6941259.2186-434.0368234.2178
797.8724-1.72972.22671.61060.08182.23490.28330.00080.016-0.0126-0.31920.19410.4275-0.07370.09630.54780.08240.15850.5640.04640.4035235.0161-430.5747236.6962
802.61392.9319-2.09685.3932-0.62213.0518-0.6967-1.0919-1.6903-0.5601-0.0760.59430.2729-0.55090.63580.907-0.10030.1670.78770.01450.8915223.6356-441.1136241.6915
818.0399-1.94591.50743.8959-0.16392.26530.0406-1.21830.46410.6031-0.14180.13310.2679-0.26450.10690.69190.02730.2320.73540.00550.4509235.9016-431.9113244.3114
826.88032.38696.23446.879-0.79757.0613-2.8869-1.5803-2.30480.79890.72842.86020.6038-0.35632.18390.9386-0.10580.26230.6729-0.05621.1044217.043-431.8507226.9128
832.9946-3.9237-0.88617.02484.33465.30160.61422.0201-1.98870.4878-1.20291.28430.8356-1.22820.81680.86430.08780.0230.9826-0.30831.0828225.3942-435.1562217.0609
848.7892-6.20951.54089.8167-2.08018.1009-0.02410.1715-0.7005-0.9829-0.34491.98530.4364-0.59320.32340.57610.1048-0.0671.3265-0.36480.8725215.9889-426.3805221.5049
853.4571-3.7895-3.54574.79034.19994.4567-0.97540.8232-0.44990.9429-0.01490.69380.31-0.66471.18370.66440.1860.08490.6207-0.03480.5706230.5099-427.1732226.5445
867.6348-6.582-6.51215.70735.72075.83790.146-0.29751.98171.49370.714-1.7529-0.47070.0902-0.90390.88410.0390.09210.4381-0.05880.7473250.5374-427.1829216.8124
873.41-1.3266-3.40645.9961.95493.99780.20221.1550.5743-0.9738-0.35810.7294-0.4245-0.54990.21220.86650.16370.00250.6815-0.00960.6133228.6729-416.3637219.8904
886.0008-6.8243-6.5599.62425.93028.3612-0.6004-0.9580.91310.7140.7611-0.29840.16720.5558-0.28420.76190.07210.01250.6041-0.08820.7737255.8266-432.8781220.6427
899.0431-5.5927-6.09714.3054.86215.4301-0.0588-0.5616-0.2407-0.32970.03450.24530.2401-0.28030.00110.64280.10830.10470.5502-0.09360.4895233.6526-425.0569227.9611
909.2642-2.9274-2.93134.56631.81453.31240.00420.49490.0467-0.5662-0.41910.53080.2716-0.92950.36490.69110.0238-0.08380.6187-0.12870.4525230.211-427.971219.9453
913.4236-0.8827-3.26338.61483.22393.83020.59211.15830.18160.191-1.0940.8365-0.561-1.52840.49650.63360.15520.06350.8072-0.11880.7603220.4042-424.3588229.5475
928.01885.939-6.05215.854-3.70986.9568-0.18211.23691.8091-0.4320.63981.03110.0517-0.937-0.39730.96640.20660.08410.65790.07360.9646228.1681-406.3074233.698
935.3356-3.52490.80857.17340.54828.0313-0.1232-0.58120.33710.62390.09530.7325-0.4351-0.50440.07480.69180.09790.24690.6725-0.12270.7314224.7275-406.7312242.0215
946.17251.0238-2.84742.3568-0.41973.4782-0.3018-1.0412-0.40350.5749-0.0573-0.06520.3030.30910.37230.77370.14970.06570.62050.06560.3914242.7537-417.9488238.7804
958.04690.7752-2.54731.71281.434.5724-0.2425-0.46640.39580.32670.18980.2312-0.07-0.3359-0.0060.78620.18960.10840.47320.07270.4398234.7351-412.3135238.4283
968.59494.1575-3.23358.579-4.92823.01390.1280.7622-0.47610.2034-0.1990.1155-1.81230.1584-0.13310.6081-0.19770.06260.568-0.12030.5927238.4438-441.2919196.4952
976.70173.3458-5.94194.7963-4.69756.3159-1.35422.2175-0.0772-1.38160.9503-0.16031.0876-0.53650.4480.8777-0.07040.00590.63530.11940.5043252.4264-435.6029180.9932
984.54383.1817-0.99454.2782-4.08855.8496-0.81830.45530.9927-1.20210.09230.6567-0.8584-0.72160.61720.9255-0.0415-0.09220.5187-0.09020.4979244.2118-434.6804190.972
999.6871-0.8458-6.0321.04071.82828.2473-0.0070.34940.1477-0.04460.07710.35840.0581-0.5771-0.07030.7176-0.00140.05580.26990.01050.3635245.7216-437.0987200.9818
1008.66883.23946.1661.25722.29194.39651.22141.34980.3669-0.488-0.79-1.42320.77331.7572-0.37720.84390.15170.13780.56630.10640.4752258.7769-443.3554195.6767
1013.0974-3.7912-3.8345.59595.46125.3514-0.386-0.39680.19930.41820.3306-0.01120.43040.2720.03270.65890.01050.02650.33730.0530.3545255.7135-431.1843198.4645
1023.6174-0.8523-4.17544.55210.66385.2149-0.52770.1450.6766-0.24550.4519-0.43990.3152-0.1950.25520.7120.01430.02220.4163-0.0360.2976253.7353-434.1718189.39
1034.1844-5.1454-1.60996.63052.99023.8888-0.51120.0462-0.62440.2294-0.00350.70880.8386-0.27330.71080.6933-0.07360.05440.3227-0.01040.3868245.1833-442.9054200.629
1042.3887-0.67032.75241.758-2.54565.15430.60910.5572-1.86430.712-0.7129-0.80212.52060.60220.07641.04010.0021-0.00170.4878-0.10630.6011253.9364-441.5287180.1057
1054.00791.36123.79032.2710.8663.7172-0.3972-1.3527-0.040.67690.1032-0.38420.34650.01050.39320.72540.06240.0980.7152-0.09820.6463256.4658-390.3985233.4875
1064.2768-0.11622.47747.00751.48285.6962-0.1672-0.69070.55032.43540.8375-1.3699-0.49961.1037-0.23061.56320.2116-0.34731.1002-0.4381.0581271.73-388.2567240.7963
1074.76170.6228-1.32114.6350.61922.6095-0.4559-0.51690.5660.48350.20580.18360.1660.02230.23360.88940.15490.08530.5046-0.17730.5428260.6817-398.8858234.0055
1088.5312.891-1.227.5542.92112.041-0.8681-1.04480.51110.10110.4302-1.2724-0.48261.72490.47930.6707-0.0185-0.10110.7626-0.11240.6438274.6859-397.3794227.6356
1097.2184-1.68691.85817.13711.24046.7459-0.3964-0.41180.12972.53511.246-1.45410.71771.6662-0.87921.35050.2033-0.33350.8082-0.25740.8082271.9011-405.071237.1545
1101.9002-2.48783.14748.85430.01898.1048-0.5859-2.27331.00812.34121.369-0.72510.18010.8759-0.46461.45020.1895-0.17480.8837-0.28310.7528265.4765-397.3554241.429
1113.58535.1611.1998.0101-0.02157.9462-1.4078-0.43980.50280.5050.4506-0.7987-0.98781.20140.77830.89680.0945-0.24680.7351-0.20960.7622274.5107-393.453234.4395
1128.10786.8966-2.06858.2525-1.83867.6577-0.4631-0.26671.02090.30020.56250.5816-0.9096-0.4894-0.18880.70230.1896-0.00840.4972-0.07340.4627257.4662-396.7138227.9879
1131.87343.1673.39175.35145.72436.1169-0.33741.3756-1.2233-1.3544-0.83620.77671.6762-0.6185-1.95651.9342-0.2486-0.73740.7522-1.26781.3926278.3345-383.6584235.365
1141.63-0.1328-1.20012.86613.73365.4368-0.8753-0.6704-0.9481.31390.9350.74232.2135-0.125-0.13951.44070.29190.10750.97970.27990.8267258.4744-461.4459254.8791
1152.0332-1.42142.06388.3366-5.04344.0615-0.178-0.14320.1708-0.1656-0.038-0.39520.91210.4060.07520.99710.35640.07690.9270.13010.4179262.2054-450.9263250.3891
1167.3567-1.7228-6.11193.28734.27248.2131-0.14080.3592-0.6389-0.09680.13280.06920.98830.5754-0.10461.38030.4012-0.14450.9133-0.00450.657262.4174-455.1121241.597
1170.7741.3461-0.27062.5603-1.242.8386-1.59230.37730.230.53651.2184-0.40921.43080.85450.2151.41340.45490.11251.10070.120.8722263.2535-462.001248.1762
1186.2112-0.80974.21486.8499-4.27914.9432-0.2531-0.6244-0.23610.05450.49370.10750.8242-0.0356-0.14161.11250.4810.10570.91110.15350.4648258.8389-448.0138255.1572
1192.7012-0.7599-0.49996.75652.47320.92082.76261.0395-1.0129-1.1082-2.5459-0.6736-2.51340.130.37981.98480.2656-0.33151.17920.15680.9576269.3257-467.0269258.1026
1204.8239-0.13792.83234.14093.94585.3785-0.783-0.4232-1.3655-1.27830.5853-0.64610.41050.0243-0.15351.10560.03410.23820.40410.0920.6662257.5271-461.865204.9319
1216.2183.9692.35044.24512.37653.5216-0.1833-0.0506-0.4707-0.0630.2294-0.27230.19090.1626-0.10030.83260.00040.14150.35540.02920.391257.4487-452.0339210.4331
1225.0554-2.1128-1.93894.53631.30563.89-0.06520.55350.56790.3744-0.44910.94062.5977-1.1590.69160.8517-0.0880.07680.28460.04340.4617248.0907-451.8976202.1886
1239.7266.60786.65165.6093.56475.46010.5532-0.31030.74311.5793-1.17430.49061.7241-0.00920.28971.2588-0.02720.19540.51010.11710.5973248.175-449.1207218.1549
1244.20383.7143.69016.98893.94273.7888-0.4368-0.3923-0.6802-0.13650.3276-0.22830.3761-0.27570.09530.8490.01140.120.44340.05990.4555251.2395-457.4978213.076
1256.02065.4627-0.7087.89092.80075.8536-0.7046-0.0824-0.5857-1.17240.0546-0.04570.6233-0.48220.71070.83140.0327-0.06870.42070.08450.5102250.0514-457.7735203.1654
1265.287-6.1597-4.75797.07475.06938.9357-0.0335-0.414-0.3276-0.08290.1566-0.1475-0.20360.2397-0.00060.6168-0.01940.10170.3171-0.00170.3923252.0524-441.0255209.4831
1272.81112.0689-0.02785.24871.85441.6641-0.26760.0869-1.12880.2727-0.17830.48430.1097-0.1519-0.96291.3783-0.21480.3131-0.1099-0.06880.7354252.0586-465.9538197.8455
1283.44850.6333-0.91543.55570.07313.16050.13150.03630.1714-0.9178-0.0444-0.6133-0.28110.3053-0.06190.61490.03710.02330.3595-0.07170.4783267.7903-401.7313211.8625
1294.35234.883-1.05046.4419-2.44088.14390.3063-0.69620.97422.0087-0.0860.5868-0.12090.7794-0.10780.75920.04040.03120.5105-0.11670.6455262.2526-394.5192219.6181
1307.6285-3.9517-2.55049.3043-2.34525.638-0.749-0.16530.72020.38410.146-0.364-0.185-1.08580.24380.58080.1117-0.12390.5030.07250.3983255.0293-408.4379216.3026
1316.2178-1.07731.55962.3396-2.41726.08290.16720.2120.0658-0.59640.0998-0.0294-0.18230.1754-0.21360.7156-0.05880.07380.3303-0.03380.4326260.0991-402.2488209.986
1325.4276-3.69263.46744.6989-6.22319.1094-0.097-0.17970.43850.35770.54070.1876-0.81030.174-0.3860.924-0.00560.08240.3954-0.05490.5543263.5431-393.6509213.3815
1335.4443.9219-5.67494.1171-2.87916.55520.0858-0.62450.27810.13980.0529-0.2340.04250.5039-0.17010.62590.1995-0.01740.4851-0.08410.4877262.2797-406.6634226.0045
1343.9863-2.20222.24229.6735-0.60682.12150.1094-0.01460.55570.2525-0.01790.4242-1.58240.6220.28411.2783-0.150.12740.3826-0.13790.7003267.8905-387.0533207.6852
1352.81173.09033.29555.76235.99767.1203-0.5391-0.08130.33461.3322-0.3826-0.45891.46861.57580.64681.04120.2737-0.11781.24010.13391.0276277.5991-435.9762261.6018
1363.65340.44121.33470.1237-0.65564.14150.00770.62570.84920.4545-0.2354-0.63430.02251.10820.30680.95460.3516-0.10890.94970.20150.8669271.7227-435.2863252.0792
1376.30161.9924-1.88283.47142.49664.3906-0.5098-0.16570.52651.1027-0.2734-0.2554-0.3773-0.05010.75760.73780.354-0.06730.8038-0.03270.6157263.1995-436.5436256.2513
1385.9535-0.15783.04536.2312-0.23894.6231-0.6513-0.87990.67051.53410.1592-0.3549-0.20840.52940.44231.07330.255-0.20850.7569-0.03920.7482268.9452-433.9028260.307
1398.3892-1.64454.46234.4829-0.75885.5102-0.07740.29830.24260.5642-0.1-0.34740.04570.6822-0.05320.70120.20760.10710.76310.14080.5136261.9535-440.6709246.8421
1404.6938-0.18760.73251.75561.34011.192-0.3086-0.27590.13231.17830.16160.6075-0.1221.5617-0.2261.87530.5519-0.43951.2668-0.13750.9441276.014-440.6632270.3653
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 6 through 22 )A6 - 22
2X-RAY DIFFRACTION2chain 'A' and (resid 23 through 32 )A23 - 32
3X-RAY DIFFRACTION3chain 'A' and (resid 33 through 75 )A33 - 75
4X-RAY DIFFRACTION4chain 'A' and (resid 76 through 98 )A76 - 98
5X-RAY DIFFRACTION5chain 'A' and (resid 99 through 126 )A99 - 126
6X-RAY DIFFRACTION6chain 'A' and (resid 127 through 136 )A127 - 136
7X-RAY DIFFRACTION7chain 'A' and (resid 137 through 159 )A137 - 159
8X-RAY DIFFRACTION8chain 'B' and (resid 6 through 22 )B6 - 22
9X-RAY DIFFRACTION9chain 'B' and (resid 23 through 32 )B23 - 32
10X-RAY DIFFRACTION10chain 'B' and (resid 33 through 67 )B33 - 67
11X-RAY DIFFRACTION11chain 'B' and (resid 68 through 75 )B68 - 75
12X-RAY DIFFRACTION12chain 'B' and (resid 76 through 98 )B76 - 98
13X-RAY DIFFRACTION13chain 'B' and (resid 99 through 112 )B99 - 112
14X-RAY DIFFRACTION14chain 'B' and (resid 113 through 126 )B113 - 126
15X-RAY DIFFRACTION15chain 'B' and (resid 127 through 136 )B127 - 136
16X-RAY DIFFRACTION16chain 'B' and (resid 137 through 159 )B137 - 159
17X-RAY DIFFRACTION17chain 'C' and (resid 6 through 53 )C6 - 53
18X-RAY DIFFRACTION18chain 'C' and (resid 54 through 136 )C54 - 136
19X-RAY DIFFRACTION19chain 'C' and (resid 137 through 159 )C137 - 159
20X-RAY DIFFRACTION20chain 'D' and (resid 1 through 25 )D1 - 25
21X-RAY DIFFRACTION21chain 'D' and (resid 26 through 32 )D26 - 32
22X-RAY DIFFRACTION22chain 'D' and (resid 33 through 48 )D33 - 48
23X-RAY DIFFRACTION23chain 'D' and (resid 49 through 75 )D49 - 75
24X-RAY DIFFRACTION24chain 'D' and (resid 76 through 84 )D76 - 84
25X-RAY DIFFRACTION25chain 'D' and (resid 85 through 103 )D85 - 103
26X-RAY DIFFRACTION26chain 'D' and (resid 104 through 108 )D104 - 108
27X-RAY DIFFRACTION27chain 'E' and (resid 1 through 18 )E1 - 18
28X-RAY DIFFRACTION28chain 'E' and (resid 19 through 25 )E19 - 25
29X-RAY DIFFRACTION29chain 'E' and (resid 26 through 38 )E26 - 38
30X-RAY DIFFRACTION30chain 'E' and (resid 39 through 48 )E39 - 48
31X-RAY DIFFRACTION31chain 'E' and (resid 49 through 61 )E49 - 61
32X-RAY DIFFRACTION32chain 'E' and (resid 62 through 84 )E62 - 84
33X-RAY DIFFRACTION33chain 'E' and (resid 85 through 90 )E85 - 90
34X-RAY DIFFRACTION34chain 'E' and (resid 91 through 103 )E91 - 103
35X-RAY DIFFRACTION35chain 'E' and (resid 104 through 108 )E104 - 108
36X-RAY DIFFRACTION36chain 'F' and (resid 1 through 7 )F1 - 7
37X-RAY DIFFRACTION37chain 'F' and (resid 8 through 18 )F8 - 18
38X-RAY DIFFRACTION38chain 'F' and (resid 19 through 25 )F19 - 25
39X-RAY DIFFRACTION39chain 'F' and (resid 26 through 32 )F26 - 32
40X-RAY DIFFRACTION40chain 'F' and (resid 33 through 48 )F33 - 48
41X-RAY DIFFRACTION41chain 'F' and (resid 49 through 61 )F49 - 61
42X-RAY DIFFRACTION42chain 'F' and (resid 62 through 67 )F62 - 67
43X-RAY DIFFRACTION43chain 'F' and (resid 68 through 75 )F68 - 75
44X-RAY DIFFRACTION44chain 'F' and (resid 76 through 84 )F76 - 84
45X-RAY DIFFRACTION45chain 'F' and (resid 85 through 90 )F85 - 90
46X-RAY DIFFRACTION46chain 'F' and (resid 91 through 103 )F91 - 103
47X-RAY DIFFRACTION47chain 'F' and (resid 104 through 108 )F104 - 108
48X-RAY DIFFRACTION48chain 'G' and (resid 1 through 17 )G1 - 17
49X-RAY DIFFRACTION49chain 'G' and (resid 18 through 25 )G18 - 25
50X-RAY DIFFRACTION50chain 'G' and (resid 26 through 39 )G26 - 39
51X-RAY DIFFRACTION51chain 'G' and (resid 40 through 51 )G40 - 51
52X-RAY DIFFRACTION52chain 'G' and (resid 52 through 60 )G52 - 60
53X-RAY DIFFRACTION53chain 'G' and (resid 61 through 83 )G61 - 83
54X-RAY DIFFRACTION54chain 'G' and (resid 84 through 99 )G84 - 99
55X-RAY DIFFRACTION55chain 'G' and (resid 100 through 119 )G100 - 119
56X-RAY DIFFRACTION56chain 'G' and (resid 120 through 126 )G120 - 126
57X-RAY DIFFRACTION57chain 'H' and (resid 1 through 39 )H1 - 39
58X-RAY DIFFRACTION58chain 'H' and (resid 40 through 51 )H40 - 51
59X-RAY DIFFRACTION59chain 'H' and (resid 52 through 60 )H52 - 60
60X-RAY DIFFRACTION60chain 'H' and (resid 61 through 83 )H61 - 83
61X-RAY DIFFRACTION61chain 'H' and (resid 84 through 99 )H84 - 99
62X-RAY DIFFRACTION62chain 'H' and (resid 100 through 109 )H100 - 109
63X-RAY DIFFRACTION63chain 'H' and (resid 110 through 119 )H110 - 119
64X-RAY DIFFRACTION64chain 'H' and (resid 120 through 126 )H120 - 126
65X-RAY DIFFRACTION65chain 'I' and (resid 1 through 39 )I1 - 39
66X-RAY DIFFRACTION66chain 'I' and (resid 40 through 51 )I40 - 51
67X-RAY DIFFRACTION67chain 'I' and (resid 52 through 60 )I52 - 60
68X-RAY DIFFRACTION68chain 'I' and (resid 61 through 73 )I61 - 73
69X-RAY DIFFRACTION69chain 'I' and (resid 74 through 83 )I74 - 83
70X-RAY DIFFRACTION70chain 'I' and (resid 84 through 99 )I84 - 99
71X-RAY DIFFRACTION71chain 'I' and (resid 100 through 109 )I100 - 109
72X-RAY DIFFRACTION72chain 'I' and (resid 110 through 125 )I110 - 125
73X-RAY DIFFRACTION73chain 'J' and (resid 6 through 22 )J6 - 22
74X-RAY DIFFRACTION74chain 'J' and (resid 23 through 44 )J23 - 44
75X-RAY DIFFRACTION75chain 'J' and (resid 45 through 67 )J45 - 67
76X-RAY DIFFRACTION76chain 'J' and (resid 68 through 75 )J68 - 75
77X-RAY DIFFRACTION77chain 'J' and (resid 76 through 98 )J76 - 98
78X-RAY DIFFRACTION78chain 'J' and (resid 99 through 112 )J99 - 112
79X-RAY DIFFRACTION79chain 'J' and (resid 113 through 126 )J113 - 126
80X-RAY DIFFRACTION80chain 'J' and (resid 127 through 136 )J127 - 136
81X-RAY DIFFRACTION81chain 'J' and (resid 137 through 158 )J137 - 158
82X-RAY DIFFRACTION82chain 'K' and (resid 6 through 22 )K6 - 22
83X-RAY DIFFRACTION83chain 'K' and (resid 23 through 32 )K23 - 32
84X-RAY DIFFRACTION84chain 'K' and (resid 33 through 53 )K33 - 53
85X-RAY DIFFRACTION85chain 'K' and (resid 54 through 67 )K54 - 67
86X-RAY DIFFRACTION86chain 'K' and (resid 68 through 75 )K68 - 75
87X-RAY DIFFRACTION87chain 'K' and (resid 76 through 98 )K76 - 98
88X-RAY DIFFRACTION88chain 'K' and (resid 99 through 112 )K99 - 112
89X-RAY DIFFRACTION89chain 'K' and (resid 113 through 126 )K113 - 126
90X-RAY DIFFRACTION90chain 'K' and (resid 127 through 150 )K127 - 150
91X-RAY DIFFRACTION91chain 'K' and (resid 151 through 158 )K151 - 158
92X-RAY DIFFRACTION92chain 'L' and (resid 6 through 32 )L6 - 32
93X-RAY DIFFRACTION93chain 'L' and (resid 33 through 53 )L33 - 53
94X-RAY DIFFRACTION94chain 'L' and (resid 54 through 126 )L54 - 126
95X-RAY DIFFRACTION95chain 'L' and (resid 127 through 158 )L127 - 158
96X-RAY DIFFRACTION96chain 'M' and (resid 1 through 7 )M1 - 7
97X-RAY DIFFRACTION97chain 'M' and (resid 8 through 18 )M8 - 18
98X-RAY DIFFRACTION98chain 'M' and (resid 19 through 25 )M19 - 25
99X-RAY DIFFRACTION99chain 'M' and (resid 26 through 38 )M26 - 38
100X-RAY DIFFRACTION100chain 'M' and (resid 39 through 48 )M39 - 48
101X-RAY DIFFRACTION101chain 'M' and (resid 49 through 67 )M49 - 67
102X-RAY DIFFRACTION102chain 'M' and (resid 68 through 84 )M68 - 84
103X-RAY DIFFRACTION103chain 'M' and (resid 85 through 103 )M85 - 103
104X-RAY DIFFRACTION104chain 'M' and (resid 104 through 108 )M104 - 108
105X-RAY DIFFRACTION105chain 'N' and (resid 1 through 7 )N1 - 7
106X-RAY DIFFRACTION106chain 'N' and (resid 8 through 25 )N8 - 25
107X-RAY DIFFRACTION107chain 'N' and (resid 26 through 38 )N26 - 38
108X-RAY DIFFRACTION108chain 'N' and (resid 39 through 48 )N39 - 48
109X-RAY DIFFRACTION109chain 'N' and (resid 49 through 61 )N49 - 61
110X-RAY DIFFRACTION110chain 'N' and (resid 62 through 75 )N62 - 75
111X-RAY DIFFRACTION111chain 'N' and (resid 76 through 90 )N76 - 90
112X-RAY DIFFRACTION112chain 'N' and (resid 91 through 103 )N91 - 103
113X-RAY DIFFRACTION113chain 'N' and (resid 104 through 108 )N104 - 108
114X-RAY DIFFRACTION114chain 'O' and (resid 1 through 25 )O1 - 25
115X-RAY DIFFRACTION115chain 'O' and (resid 26 through 48 )O26 - 48
116X-RAY DIFFRACTION116chain 'O' and (resid 49 through 67 )O49 - 67
117X-RAY DIFFRACTION117chain 'O' and (resid 68 through 83 )O68 - 83
118X-RAY DIFFRACTION118chain 'O' and (resid 84 through 103 )O84 - 103
119X-RAY DIFFRACTION119chain 'O' and (resid 104 through 108 )O104 - 108
120X-RAY DIFFRACTION120chain 'P' and (resid 1 through 17 )P1 - 17
121X-RAY DIFFRACTION121chain 'P' and (resid 18 through 39 )P18 - 39
122X-RAY DIFFRACTION122chain 'P' and (resid 40 through 51 )P40 - 51
123X-RAY DIFFRACTION123chain 'P' and (resid 52 through 60 )P52 - 60
124X-RAY DIFFRACTION124chain 'P' and (resid 61 through 83 )P61 - 83
125X-RAY DIFFRACTION125chain 'P' and (resid 84 through 99 )P84 - 99
126X-RAY DIFFRACTION126chain 'P' and (resid 100 through 119 )P100 - 119
127X-RAY DIFFRACTION127chain 'P' and (resid 120 through 126 )P120 - 126
128X-RAY DIFFRACTION128chain 'Q' and (resid 1 through 39 )Q1 - 39
129X-RAY DIFFRACTION129chain 'Q' and (resid 40 through 51 )Q40 - 51
130X-RAY DIFFRACTION130chain 'Q' and (resid 52 through 60 )Q52 - 60
131X-RAY DIFFRACTION131chain 'Q' and (resid 61 through 83 )Q61 - 83
132X-RAY DIFFRACTION132chain 'Q' and (resid 84 through 99 )Q84 - 99
133X-RAY DIFFRACTION133chain 'Q' and (resid 100 through 119 )Q100 - 119
134X-RAY DIFFRACTION134chain 'Q' and (resid 120 through 126 )Q120 - 126
135X-RAY DIFFRACTION135chain 'R' and (resid 1 through 17 )R1 - 17
136X-RAY DIFFRACTION136chain 'R' and (resid 18 through 39 )R18 - 39
137X-RAY DIFFRACTION137chain 'R' and (resid 40 through 60 )R40 - 60
138X-RAY DIFFRACTION138chain 'R' and (resid 61 through 99 )R61 - 99
139X-RAY DIFFRACTION139chain 'R' and (resid 100 through 119 )R100 - 119
140X-RAY DIFFRACTION140chain 'R' and (resid 120 through 126 )R120 - 126

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