PDB-2fjf: Structure of the G6 Fab, a phage derived VEGF binding Fab

ID or keywords:

Entry

Database: PDB / ID: 2fjf

Title

Structure of the G6 Fab, a phage derived VEGF binding Fab

Components

Heavy Chain of a VEGF binding Antibody
Light Chain of a VEGF binding Antibody

Keywords

IMMUNE SYSTEM / Antibody / Fab / Dodecamer

Function / homology

Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta / : / :

Function and homology information

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.65 Å

Authors

Wiesmann, C.

Citation

Journal: J.Biol.Chem. / Year: 2006
Title: Structure-function studies of two synthetic anti-vascular endothelial growth factor Fabs and comparison with the Avastin Fab.
Authors: Fuh, G. / Wu, P. / Liang, W.C. / Ultsch, M. / Lee, C.V. / Moffat, B. / Wiesmann, C.

History

Deposition	Jan 2, 2006	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Feb 7, 2006	Provider: repository / Type: Initial release
Revision 1.1	May 1, 2008	Group: Version format compliance
Revision 1.2	Jul 13, 2011	Group: Advisory / Version format compliance
Revision 1.3	Oct 9, 2024	Group: Data collection / Database references ...Data collection / Database references / Refinement description / Structure summary Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature / 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.end_auth_comp_id

Remark 999

SEQUENCE This is a Fab fragment of an antibody that was derived using phage display. Therefore ...

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	2fjf.cif.gz	940.2 KB	Display	PDBx/mmCIF format
PDB format	pdb2fjf.ent.gz	780 KB	Display	PDB format
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Validation report

Summary document	2fjf_validation.pdf.gz	618.6 KB	Display	wwPDB validaton report
Full document	2fjf_full_validation.pdf.gz	728.9 KB	Display
Data in XML	2fjf_validation.xml.gz	170 KB	Display
Data in CIF	2fjf_validation.cif.gz	235.9 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/fj/2fjf ftp://data.pdbj.org/pub/pdb/validation_reports/fj/2fjf	HTTPS FTP

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Related structure data

Related structure data	2fjgC 2fjhC 1flt C: citing same article (ref.)
Similar structure data	3kym-3 4x7s-d 3wii-1 2v7h-2 5b4m-2 2adg-d 1qbl-d 6ev2-1 1a4k-1 4wht-11 6dwa-1 4x7t-2 4kzd-2 5ye4-2 6bb4-2 6m87-5 1gaf-d 3v0v-1 1zan-d 4jfy-2 Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - HomologyF&H Search

Related structure data

2fjgC

2fjhC

1flt

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#21 - Sep 2001 Antibodies similarity (1) #256 - Apr 2021 SARS-CoV-2 Spike and Antibodies similarity (1)

Deposited unit

L: Light Chain of a VEGF binding Antibody

H: Heavy Chain of a VEGF binding Antibody

A: Light Chain of a VEGF binding Antibody

B: Heavy Chain of a VEGF binding Antibody

C: Light Chain of a VEGF binding Antibody

D: Heavy Chain of a VEGF binding Antibody

E: Light Chain of a VEGF binding Antibody

F: Heavy Chain of a VEGF binding Antibody

G: Light Chain of a VEGF binding Antibody

I: Heavy Chain of a VEGF binding Antibody

J: Light Chain of a VEGF binding Antibody

K: Heavy Chain of a VEGF binding Antibody

M: Light Chain of a VEGF binding Antibody

N: Heavy Chain of a VEGF binding Antibody

O: Light Chain of a VEGF binding Antibody

P: Heavy Chain of a VEGF binding Antibody

Q: Light Chain of a VEGF binding Antibody

R: Heavy Chain of a VEGF binding Antibody

S: Light Chain of a VEGF binding Antibody

T: Heavy Chain of a VEGF binding Antibody

U: Light Chain of a VEGF binding Antibody

V: Heavy Chain of a VEGF binding Antibody

W: Light Chain of a VEGF binding Antibody

X: Heavy Chain of a VEGF binding Antibody

569 kDa, 24 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

L: Light Chain of a VEGF binding Antibody

H: Heavy Chain of a VEGF binding Antibody

defined by author&software
47.4 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

A: Light Chain of a VEGF binding Antibody

B: Heavy Chain of a VEGF binding Antibody

defined by author&software
47.4 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: Light Chain of a VEGF binding Antibody

D: Heavy Chain of a VEGF binding Antibody

defined by author&software
47.4 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

E: Light Chain of a VEGF binding Antibody

F: Heavy Chain of a VEGF binding Antibody

defined by author&software
47.4 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

5

G: Light Chain of a VEGF binding Antibody

I: Heavy Chain of a VEGF binding Antibody

defined by author&software
47.4 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

6

J: Light Chain of a VEGF binding Antibody

K: Heavy Chain of a VEGF binding Antibody

defined by author&software
47.4 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

7

M: Light Chain of a VEGF binding Antibody

N: Heavy Chain of a VEGF binding Antibody

defined by author&software
47.4 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

8

O: Light Chain of a VEGF binding Antibody

P: Heavy Chain of a VEGF binding Antibody

defined by author&software
47.4 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

9

Q: Light Chain of a VEGF binding Antibody

R: Heavy Chain of a VEGF binding Antibody

defined by author&software
47.4 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

10

S: Light Chain of a VEGF binding Antibody

T: Heavy Chain of a VEGF binding Antibody

defined by author&software
47.4 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

11

U: Light Chain of a VEGF binding Antibody

V: Heavy Chain of a VEGF binding Antibody

defined by author&software
47.4 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

12

W: Light Chain of a VEGF binding Antibody

X: Heavy Chain of a VEGF binding Antibody

defined by author&software
47.4 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	274.919, 192.229, 154.108
Angle α, β, γ (deg.)	90.00, 117.00, 90.00
Int Tables number	5
Space group name H-M	C121

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Component-ID: 1 / Refine code: 6

Dom-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	ASP	ASP	THR	THR	A	C	1 - 109	1 - 109
2	1	ASP	ASP	THR	THR	E	G	1 - 109	1 - 109
3	1	ASP	ASP	THR	THR	M	M	1 - 109	1 - 109
4	1	ASP	ASP	THR	THR	C	E	1 - 109	1 - 109
5	1	ASP	ASP	THR	THR	J	K	1 - 109	1 - 109
6	1	ASP	ASP	THR	THR	O	O	1 - 109	1 - 109
7	1	ASP	ASP	THR	THR	G	I	1 - 109	1 - 109
8	1	ASP	ASP	THR	THR	Q	Q	1 - 109	1 - 109
9	1	ASP	ASP	THR	THR	L	A	1 - 109	1 - 109
10	1	ASP	ASP	THR	THR	S	S	1 - 109	1 - 109
11	1	ASP	ASP	THR	THR	U	U	1 - 109	1 - 109
12	1	ASP	ASP	THR	THR	W	W	1 - 109	1 - 109
1	2	VAL	VAL	ARG	ARG	A	C	110 - 211	110 - 211
2	2	VAL	VAL	ARG	ARG	E	G	110 - 211	110 - 211
3	2	VAL	VAL	ARG	ARG	M	M	110 - 211	110 - 211
4	2	VAL	VAL	ARG	ARG	C	E	110 - 211	110 - 211
5	2	VAL	VAL	ARG	ARG	J	K	110 - 211	110 - 211
6	2	VAL	VAL	ARG	ARG	O	O	110 - 211	110 - 211
7	2	VAL	VAL	ARG	ARG	G	I	110 - 211	110 - 211
8	2	VAL	VAL	ARG	ARG	Q	Q	110 - 211	110 - 211
9	2	VAL	VAL	ARG	ARG	L	A	110 - 211	110 - 211
10	2	VAL	VAL	ARG	ARG	S	S	110 - 211	110 - 211
11	2	VAL	VAL	ARG	ARG	U	U	110 - 211	110 - 211
12	2	VAL	VAL	ARG	ARG	W	W	110 - 211	110 - 211
1	3	GLU	GLU	THR	THR	B	D	1 - 123	1 - 123
2	3	GLU	GLU	THR	THR	F	H	1 - 123	1 - 123
3	3	GLU	GLU	THR	THR	N	N	1 - 123	1 - 123
4	3	GLU	GLU	THR	THR	D	F	1 - 123	1 - 123
5	3	GLU	GLU	THR	THR	K	L	1 - 123	1 - 123
6	3	GLU	GLU	THR	THR	P	P	1 - 123	1 - 123
7	3	GLU	GLU	THR	THR	I	J	1 - 123	1 - 123
8	3	GLU	GLU	THR	THR	R	R	1 - 123	1 - 123
9	3	GLU	GLU	THR	THR	H	B	1 - 123	1 - 123
10	3	GLU	GLU	THR	THR	T	T	1 - 123	1 - 123
11	3	GLU	GLU	THR	THR	V	V	1 - 123	1 - 123
12	3	GLU	GLU	THR	THR	X	X	1 - 123	1 - 123
1	4	LYS	LYS	CYS	CYS	B	D	124 - 223	124 - 223
2	4	LYS	LYS	CYS	CYS	F	H	124 - 223	124 - 223
3	4	LYS	LYS	CYS	CYS	N	N	124 - 223	124 - 223
4	4	LYS	LYS	CYS	CYS	D	F	124 - 223	124 - 223
5	4	LYS	LYS	CYS	CYS	K	L	124 - 223	124 - 223
6	4	LYS	LYS	CYS	CYS	P	P	124 - 223	124 - 223
7	4	LYS	LYS	CYS	CYS	I	J	124 - 223	124 - 223
8	4	LYS	LYS	CYS	CYS	R	R	124 - 223	124 - 223
9	4	LYS	LYS	CYS	CYS	H	B	124 - 223	124 - 223
10	4	LYS	LYS	CYS	CYS	T	T	124 - 223	124 - 223
11	4	LYS	LYS	CYS	CYS	V	V	124 - 223	124 - 223
12	4	LYS	LYS	CYS	CYS	X	X	124 - 223	124 - 223

NCS ensembles :

ID
1
2
3
4

#1: Antibody	Light Chain of a VEGF binding Antibody Mass: 23287.793 Da / Num. of mol.: 12 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Description: This is a phage derived Antibody / Plasmid: PW0276 / Production host: Escherichia coli (E. coli) / References: UniProt: Q6GMX8
#2: Antibody	Heavy Chain of a VEGF binding Antibody Mass: 24130.092 Da / Num. of mol.: 12 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Description: This is a phage derived Antibody / Plasmid: PW0276 / Production host: Escherichia coli (E. coli) / References: UniProt: Q569F4
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 642 / Source method: isolated from a natural source / Formula: H₂O
Has protein modification	Y

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 3.19 Å³/Da / Density % sol: 61.4 %
Crystal grow	Temperature: 292 K / Method: vapor diffusion, sitting drop / pH: 4.7 Details: 25% PEG 3350, 0.1 M Sodium Acetate, pH 4.7, VAPOR DIFFUSION, SITTING DROP, temperature 292K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ALS / Beamline: 5.0.2 / Wavelength: 1 Å
Detector	Type: ADSC QUANTUM 4 / Detector: CCD / Date: May 7, 2003
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.65→50 Å / Num. all: 205393 / Num. obs: 205298 / % possible obs: 100 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.9 % / R_merge(I) obs: 0.06
Reflection shell	Resolution: 2.65→2.74 Å / R_sym value: 0.52 / % possible all: 100

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Processing

Software

Name	Version	Classification
REFMAC	5.1.24	refinement
HKL-2000		data reduction
SCALEPACK		data scaling
AMoRE		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.65→20 Å / Cor.coef. F_o:F_c: 0.947 / Cor.coef. F_o:F_c free: 0.899 / SU B: 14.342 / SU ML: 0.282 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.517 / ESU R Free: 0.295 / Stereochemistry target values: MAXIMUM LIKELIHOOD

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.24835	4476	2.2 %	SHELLS
R_work	0.19856	-	-	-
all	0.2	205393	-	-
obs	0.19976	200469	99.85 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 11.368 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-1.1 Å²	0 Å²	-1.84 Å²
2-	-	0.99 Å²	0 Å²
3-	-	-	-1.56 Å²

Refinement step

Cycle: LAST / Resolution: 2.65→20 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	39000	0	0	642	39642

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.008	0.021	40032
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.213	1.948	54576
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.272	5	5112
X-RAY DIFFRACTION	r_dihedral_angle_2_deg
X-RAY DIFFRACTION	r_dihedral_angle_3_deg
X-RAY DIFFRACTION	r_dihedral_angle_4_deg
X-RAY DIFFRACTION	r_chiral_restr	0.077	0.2	6180
X-RAY DIFFRACTION	r_gen_planes_refined	0.003	0.02	30168
X-RAY DIFFRACTION	r_gen_planes_other
X-RAY DIFFRACTION	r_nbd_refined	0.203	0.2	16218
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.123	0.2	1536
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.193	0.2	39
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.049	0.2	4
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_symmetry_metal_ion_refined
X-RAY DIFFRACTION	r_symmetry_metal_ion_other
X-RAY DIFFRACTION	r_mcbond_it	1.538	2.5	25632
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	2.359	5	41508
X-RAY DIFFRACTION	r_scbond_it	1.923	2.5	14400
X-RAY DIFFRACTION	r_scangle_it	2.701	5	13068
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION

Ens-ID	Dom-ID	Auth asym-ID	Number	Type	Rms dev position (Å)	Weight position
1	1	A	828	loose positional	0.72	5
1	2	E	828	loose positional	0.75	5
1	3	M	828	loose positional	0.49	5
1	4	C	828	loose positional	0.75	5
1	5	J	828	loose positional	0.69	5
1	6	O	828	loose positional	0.63	5
1	7	G	828	loose positional	0.65	5
1	8	Q	828	loose positional	0.65	5
1	9	L	828	loose positional	0.52	5
1	10	S	828	loose positional	0.65	5
1	11	U	828	loose positional	0.66	5
1	12	W	828	loose positional	0.83	5
2	1	A	789	loose positional	0.54	5
2	2	E	789	loose positional	0.57	5
2	3	M	789	loose positional	0.89	5
2	4	C	789	loose positional	0.6	5
2	5	J	789	loose positional	0.49	5
2	6	O	789	loose positional	0.54	5
2	7	G	789	loose positional	0.54	5
2	8	Q	789	loose positional	0.66	5
2	9	L	789	loose positional	0.6	5
2	10	S	789	loose positional	0.56	5
2	11	U	789	loose positional	0.61	5
2	12	W	789	loose positional	0.72	5
3	1	B	942	loose positional	0.36	5
3	2	F	942	loose positional	0.44	5
3	3	N	942	loose positional	0.35	5
3	4	D	942	loose positional	0.5	5
3	5	K	942	loose positional	0.38	5
3	6	P	942	loose positional	0.4	5
3	7	I	942	loose positional	0.4	5
3	8	R	942	loose positional	0.37	5
3	9	H	942	loose positional	0.46	5
3	10	T	942	loose positional	0.48	5
3	11	V	942	loose positional	0.43	5
3	12	X	942	loose positional	0.43	5
4	1	B	693	loose positional	0.48	5
4	2	F	693	loose positional	0.5	5
4	3	N	693	loose positional	0.72	5
4	4	D	693	loose positional	0.44	5
4	5	K	693	loose positional	0.45	5
4	6	P	693	loose positional	0.53	5
4	7	I	693	loose positional	0.44	5
4	8	R	693	loose positional	0.58	5
4	9	H	693	loose positional	0.59	5
4	10	T	693	loose positional	0.58	5
4	11	V	693	loose positional	0.53	5
4	12	X	693	loose positional	0.51	5
1	1	A	828	loose thermal	1.89	10
1	2	E	828	loose thermal	1.76	10
1	3	M	828	loose thermal	1.87	10
1	4	C	828	loose thermal	1.69	10
1	5	J	828	loose thermal	1.97	10
1	6	O	828	loose thermal	2.08	10
1	7	G	828	loose thermal	1.98	10
1	8	Q	828	loose thermal	1.74	10
1	9	L	828	loose thermal	1.97	10
1	10	S	828	loose thermal	1.63	10
1	11	U	828	loose thermal	1.69	10
1	12	W	828	loose thermal	1.63	10
2	1	A	789	loose thermal	1.6	10
2	2	E	789	loose thermal	1.43	10
2	3	M	789	loose thermal	1.49	10
2	4	C	789	loose thermal	1.42	10
2	5	J	789	loose thermal	1.61	10
2	6	O	789	loose thermal	1.48	10
2	7	G	789	loose thermal	2.64	10
2	8	Q	789	loose thermal	1.39	10
2	9	L	789	loose thermal	1.49	10
2	10	S	789	loose thermal	1.29	10
2	11	U	789	loose thermal	1.28	10
2	12	W	789	loose thermal	1.35	10
3	1	B	942	loose thermal	1.73	10
3	2	F	942	loose thermal	1.83	10
3	3	N	942	loose thermal	1.84	10
3	4	D	942	loose thermal	1.91	10
3	5	K	942	loose thermal	1.89	10
3	6	P	942	loose thermal	2.07	10
3	7	I	942	loose thermal	2	10
3	8	R	942	loose thermal	1.97	10
3	9	H	942	loose thermal	1.84	10
3	10	T	942	loose thermal	1.88	10
3	11	V	942	loose thermal	1.89	10
3	12	X	942	loose thermal	1.94	10
4	1	B	693	loose thermal	1.47	10
4	2	F	693	loose thermal	1.56	10
4	3	N	693	loose thermal	1.79	10
4	4	D	693	loose thermal	1.58	10
4	5	K	693	loose thermal	1.79	10
4	6	P	693	loose thermal	1.97	10
4	7	I	693	loose thermal	2.15	10
4	8	R	693	loose thermal	1.43	10
4	9	H	693	loose thermal	1.71	10
4	10	T	693	loose thermal	1.53	10
4	11	V	693	loose thermal	1.68	10
4	12	X	693	loose thermal	1.65	10

LS refinement shell

Resolution: 2.652→2.706 Å / Total num. of bins used: 25 /

	R_factor	Num. reflection
R_work	0.333	11725
R_free	-	0

Refinement TLS params.

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

ID	L11 (°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)
1	4.3893	1.1727	1.7344	5.4652	0.0018	3.1489	-0.0963	-0.2116	0.1248	1.0458	-0.1182	-1.5019	-0.2953	0.17	0.2146	0.4507	0.0469	-0.3499	0.1894	0.0434	0.7512	163.9725	111.5792	133.3532
2	6.517	-4.8825	2.1074	16.024	-2.9945	3.9718	-0.8772	-1.1248	0.4841	2.5663	0.479	-1.2615	-1.1817	-0.2278	0.3982	1.0547	0.2136	-0.6028	0.6432	-0.1071	0.6915	175.3673	142.8476	149.4687
3	0.5742	-0.02	0.3643	5.6377	0.885	0.8403	-0.067	-0.0264	0.0674	0.1783	0.0357	-0.4368	-0.2491	0.0294	0.0313	0.2026	0.0289	-0.0659	0.1662	-0.0044	0.375	150.4951	125.1309	121.9086
4	11.9427	-4.449	3.3127	8.0261	-2.7923	6.1717	-0.2626	0.0846	0.6779	0.2303	-0.3982	-1.7699	-0.3777	1.1528	0.6608	0.4124	0.0372	-0.1443	0.3778	0.0433	0.6981	174.889	146.2682	133.747
5	3.4404	1.4786	-0.3737	2.385	0.2288	3.9424	-0.5461	0.8833	0.0508	-0.6535	0.5285	-0.1867	-0.5023	0.3558	0.0176	0.6362	-0.3071	0.1141	0.6966	-0.1687	0.196	183.0612	84.3258	59.6507
6	7.5945	3.6302	3.7542	5.1712	2.759	10.665	-0.3492	0.3749	-0.2049	-0.5826	0.4833	-0.788	0.1849	1.3874	-0.1341	0.656	-0.102	0.3606	0.7131	-0.1943	0.5271	214.6136	100.4434	50.8879
7	3.8406	2.1156	0.141	1.6693	0.2356	1.4149	-0.1689	0.2874	0.0655	-0.1772	0.1143	-0.1128	-0.1746	-0.073	0.0546	0.4463	-0.1134	0.089	0.2753	-0.0672	0.1804	187.1068	91.611	80.3308
8	2.7522	-0.2139	1.4571	4.455	0.0037	11.4566	-0.1275	0.4159	0.2262	-1.0477	0.0008	-0.2144	-1.1466	0.5493	0.1267	0.5927	-0.065	0.0974	0.4309	-0.1161	0.4619	207.4023	111.0316	61.0604
9	4.57	0.3143	0.9537	1.6906	-0.39	6.7646	0.4374	0.9053	0.1686	-0.4187	-0.3937	-0.1187	0.029	0.2936	-0.0438	0.5357	0.3124	0.0232	0.5069	-0.0064	0.2953	182.6772	129.5573	58.1752
10	6.7785	-4.1537	2.499	7.9723	-1.5432	5.7342	0.1544	1.1082	0.2366	-0.5893	0.0723	-0.3033	0.0145	0.9379	-0.2267	0.6524	0.0995	0.1069	1.0121	0.0742	0.285	168.2406	142.4237	26.8454
11	1.6072	-1.6053	1.4915	2.4204	-1.8639	3.4842	0.0832	0.2979	0.0129	-0.2217	-0.099	0.0763	-0.0794	-0.0214	0.0159	0.3721	0.1837	-0.0724	0.3971	-0.045	0.259	164.5521	138.9695	67.3733
12	5.5553	-1.5822	-0.6395	7.568	2.3717	6.0168	-0.2553	0.7693	-0.4968	-0.4399	0.1127	0.2753	0.7879	-0.026	0.1426	0.6318	0.0539	0.0218	0.5189	0.0638	0.294	156.1228	136.3205	35.6574
13	6.6017	2.5723	1.7396	2.965	0.7835	2.8971	0.3952	-0.238	-0.2511	0.3717	-0.3463	0.1389	0.6021	-0.7481	-0.0489	0.624	-0.3212	0.1742	0.5685	-0.131	0.2188	152.743	61.3176	93.1166
14	4.7111	2.1252	-0.8428	3.4748	0.6477	11.6623	0.3667	-0.1566	-0.2496	0.0383	-0.1447	0.363	1.007	-0.9763	-0.222	0.5986	-0.3637	-0.0709	0.6607	-0.022	0.5578	133.3919	44.5544	66.7868
15	1.86	1.2199	1.566	1.9849	1.6373	4.3599	0.0535	0.0563	0.0888	-0.0819	-0.0867	0.2081	0.0606	-0.2553	0.0331	0.2865	-0.0816	0.0756	0.3934	-0.086	0.2143	161.491	73.0812	76.2803
16	5.8901	4.1676	-2.7016	6.3999	-2.8836	8.1445	0.2009	0.4387	1.119	0.1052	0.5986	1.737	-0.1306	-1.6215	-0.7994	0.4797	-0.0256	-0.0012	0.7451	0.0151	0.7616	133.8784	60.068	62.5772
17	1.5662	0.4534	0.5716	6.2582	0.5367	1.4034	0.1353	-0.1669	-0.1525	-0.3226	0.165	0.5263	0.4601	-0.5007	-0.3003	0.304	-0.1894	-0.1809	0.414	0.1494	0.3456	126.4713	85.3024	111.1545
18	2.9833	0.8297	1.4271	3.7458	-0.6419	5.6242	-0.2436	0.041	-0.0801	-0.0299	0.0977	0.0932	0.0471	-0.0168	0.146	0.3597	-0.1691	0.0634	0.0909	0.0223	0.2486	134.8604	56.4004	130.2874
19	2.2923	-1.4191	2.035	3.9423	-1.3268	1.9601	0.009	-0.1655	-0.1535	-0.2605	0.1536	-0.2246	0.2315	-0.2997	-0.1626	0.1824	-0.0382	0.0144	0.1644	-0.0033	0.2412	146.0018	93.81	118.0885
20	4.5761	2.8232	2.4989	6.2277	3.0964	4.6916	-0.3883	0.5524	-0.6795	-0.2077	0.439	-0.3422	0.166	0.4173	-0.0507	0.4413	-0.1443	0.1549	0.2429	-0.0279	0.3173	149.0364	57.3418	122.7405
21	3.4395	-1.4397	1.0712	3.1443	-0.6934	3.6129	-0.0582	-0.4165	-0.037	0.2554	0.2349	-0.1592	-0.1883	0.219	-0.1767	0.2734	0.0381	-0.0321	0.3101	-0.0397	0.2237	185.8058	128.1907	108.8067
22	7.1312	-1.2535	-3.2811	2.4942	0.285	8.7676	-0.0766	-0.2331	0.4495	0.0118	0.3879	-0.6154	-0.9147	1.6567	-0.3113	0.4128	-0.277	-0.1973	0.749	-0.1599	0.5846	220.2161	119.2848	106.3869
23	3.94	-1.8594	-1.0077	1.6223	0.7001	2.1518	0.2398	0.1476	-0.1286	-0.2509	-0.0773	-0.0453	-0.1065	-0.0169	-0.1625	0.3243	0.0809	-0.0657	0.1546	-0.0151	0.2604	184.5335	123.4572	86.9894
24	2.0831	-0.4907	0.1906	2.3881	-0.7518	10.846	-0.148	-0.1032	-0.3348	0.2923	0.0574	-0.6751	0.7753	1.2658	0.0906	0.2828	0.0534	-0.0314	0.4793	-0.0335	0.5238	214.8994	105.8217	99.075
25	4.2825	0.732	0.7882	2.8227	0.9146	5.8032	0.3334	-0.7808	-0.1672	0.4391	-0.443	-0.2632	-0.2352	0.5521	0.1096	0.394	-0.2521	0.0519	0.4927	-0.0125	0.2739	191.5517	89.7014	109.3868
26	16.2167	11.0529	-5.5547	11.2296	-5.9223	8.8385	0.8934	-4.6202	-2.9563	0.6108	-1.9296	-1.8297	0.4401	1.6934	1.0362	0.485	-0.1078	-0.2798	2.2215	0.8432	1.0328	187.9996	76.3224	143.1626
27	1.8182	1.2237	-0.8689	1.5954	-0.8307	4.0255	0.1357	-0.3674	-0.023	0.2132	-0.3235	0.1418	-0.0353	-0.2357	0.1878	0.38	-0.1703	0.1296	0.3979	-0.1771	0.1988	171.8247	79.9581	105.6654
28	18.587	8.5309	-2.1225	8.1112	-0.8491	5.9496	0.7732	-3.6643	1.0741	0.638	-0.9429	0.0616	-0.3216	1.0777	0.1698	0.3768	-0.195	0.0078	1.1399	-0.1705	0.3969	173.2512	82.2852	140.0806
29	3.1479	-1.6172	-1.5144	2.5857	0.4197	2.8787	0.2212	0.0627	0.0774	-0.043	-0.02	0.1535	-0.5484	-0.5414	-0.2012	0.4701	0.2877	0.039	0.4269	0.1234	0.263	149.8394	156.4742	86.1685
30	4.9216	-1.4879	2.4247	3.4577	-0.9941	7.4968	0.0571	0.2232	0.9758	0.4172	-0.116	-0.9196	-1.2533	0.4325	0.0589	0.7772	0.1012	0.1687	0.267	0.1388	0.7011	146.2976	177.1113	115.7544
31	1.5236	-0.5	1.1103	1.4992	1.3863	5.1119	0.1012	-0.0151	-0.0345	-0.0187	0.0244	0.1492	-0.3322	-0.344	-0.1256	0.3107	0.1768	0.0839	0.2687	0.1113	0.2525	161.8716	142.5208	98.9052
32	8.2266	-3.12	0.922	3.8335	-0.8937	3.9495	0.2325	0.1539	0.5068	0.3057	0.051	-0.0243	-0.4983	-0.148	-0.2835	0.5231	0.1584	0.1038	0.2263	0.0442	0.218	142.3961	162.7128	122.3535
33	3.7401	-1.3768	1.7095	5.0006	-0.5797	3.4685	-0.4025	-0.1286	0.8165	-0.1598	0.1801	0.6985	-0.612	-0.6744	0.2224	0.3852	0.2067	-0.1508	0.3859	-0.0532	0.6779	124.8087	136.1438	112.5973
34	6.4886	4.85	0.6031	8.9455	-0.0383	3.3316	0.0168	-0.9492	0.883	1.5019	-0.3955	1.1637	-0.3216	-1.0299	0.3787	0.7559	0.4824	-0.0048	1.4282	0.0094	1.4151	89.3342	135.1202	109.0087
35	2.7646	0.4166	1.1927	2.3492	0.0301	1.8528	0.0027	0.0073	0.104	-0.3416	0.0765	0.4399	-0.0884	-0.5162	-0.0792	0.2608	0.0585	-0.1296	0.3406	0.0484	0.3608	124.4128	114.4482	107.2839
36	0.9671	-0.5331	0.5896	11.3405	-2.5215	3.0181	-0.3906	0.0744	0.4577	-0.3126	0.2898	0.5902	-0.479	-0.9018	0.1008	0.3716	0.1648	-0.2257	1.2509	0.2718	0.999	92.6496	127.5876	94.8252
37	2.842	-0.3206	-0.5023	7.2207	-0.253	2.5076	0.3827	0.2115	0.6145	0.1063	0.1426	0.7294	-0.6043	-0.7563	-0.5253	0.3558	0.2285	0.1756	0.6781	0.2159	0.695	117.4619	133.2745	73.7527
38	7.9495	-0.1337	-5.0786	4.9352	-1.6083	11.9029	-0.0186	1.0067	0.476	-0.4149	0.2678	0.9822	-0.0525	-1.0577	-0.2492	0.4907	0.1353	-0.1149	0.5386	0.3157	1.2784	121.1768	161.9412	52.1508
39	1.3531	0.2707	-1.6167	3.7198	-1.4366	3.1661	0.1062	0.1187	0.2487	-0.2145	0.1352	-0.0136	-0.3052	-0.3435	-0.2414	0.2553	0.0299	0.007	0.3521	0.104	0.4536	136.1662	125.5687	64.3386
40	6.0263	-3.0356	-1.9547	8.6475	2.5613	5.4638	-0.0112	-0.4855	1.1646	-0.1601	0.2086	0.331	-0.0952	0.2008	-0.1974	0.3901	0.063	-0.0185	0.4375	0.0876	0.8363	136.6187	161.8145	57.22
41	2.9309	-1.9676	-1.6549	3.3669	0.7786	4.0804	0.2396	0.3239	0.259	-0.9601	0.019	-0.5029	-0.1516	0.0061	-0.2586	0.5527	-0.0614	0.1175	0.3439	0.0871	0.4132	153.4817	108.399	47.636
42	4.8174	2.9193	-0.7507	9.3422	1.467	3.2946	0.0938	1.1335	0.4502	-1.7512	-0.01	0.5544	0.3458	-0.5418	-0.0838	1.3392	0.0785	-0.0029	0.9483	0.0174	0.2743	158.03	80.4028	26.7
43	1.3794	-1.1213	-0.6104	4.8103	0.7406	0.7999	0.0409	0.147	-0.1227	-0.1771	0.0006	0.0979	0.2486	-0.1109	-0.0415	0.318	-0.0837	-0.0585	0.331	0.0357	0.3094	142.5264	94.5156	61.3028
44	6.6615	2.1159	-2.1442	4.4813	-1.9318	3.2075	0.0235	0.4897	-0.2599	-1.2348	-0.1767	-0.3876	0.489	0.159	0.1532	0.9065	0.0705	0.1115	0.4755	-0.1367	0.2896	163.5588	72.5687	39.9505
45	4.3369	1.4457	-2.0707	3.7324	-0.3514	4.4643	-0.2189	0.2539	-0.8302	0.0491	-0.1247	0.6513	1.0135	-0.9892	0.3436	0.6186	-0.4117	-0.0208	0.6248	-0.1014	0.7605	118.8525	82.433	74.1578
46	7.672	-4.409	-3.3082	7.6528	2.4805	4.0382	0.1418	-0.1802	-0.3578	-0.409	-0.0821	0.4121	0.3658	-0.7032	-0.0596	0.5711	-0.6276	-0.1558	1.2107	0.2344	0.8953	88.2016	79.7921	93.8608
47	2.5302	-0.3434	-0.7116	2.1873	0.311	2.5039	-0.0598	0.1748	0.0126	0.0905	0.1852	0.5033	0.2003	-0.8312	-0.1254	0.2465	-0.1488	-0.0289	0.5911	0.1498	0.4549	117.8685	104.1939	79.2295
48	2.4648	-0.6623	-1.3284	8.1123	-2.2525	3.9557	-0.0581	-0.0806	-0.3335	0.3141	0.2506	0.0371	0.7181	-0.9464	-0.1925	0.3816	-0.4319	-0.1829	1.0991	0.2229	0.7599	97.7991	90.0882	101.9396

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	X-RAY DIFFRACTION	1	L	A	1 - 109	1 - 109
2	X-RAY DIFFRACTION	2	L	A	110 - 211	110 - 211
3	X-RAY DIFFRACTION	3	H	B	1 - 121	1 - 121
4	X-RAY DIFFRACTION	4	H	B	122 - 223	122 - 223
5	X-RAY DIFFRACTION	5	A	C	1 - 109	1 - 109
6	X-RAY DIFFRACTION	6	A	C	110 - 211	110 - 211
7	X-RAY DIFFRACTION	7	B	D	1 - 121	1 - 121
8	X-RAY DIFFRACTION	8	B	D	122 - 223	122 - 223
9	X-RAY DIFFRACTION	9	C	E	1 - 109	1 - 109
10	X-RAY DIFFRACTION	10	C	E	110 - 211	110 - 211
11	X-RAY DIFFRACTION	11	D	F	1 - 121	1 - 121
12	X-RAY DIFFRACTION	12	D	F	122 - 223	122 - 223
13	X-RAY DIFFRACTION	13	E	G	1 - 109	1 - 109
14	X-RAY DIFFRACTION	14	E	G	110 - 211	110 - 211
15	X-RAY DIFFRACTION	15	F	H	1 - 121	1 - 121
16	X-RAY DIFFRACTION	16	F	H	122 - 223	122 - 223
17	X-RAY DIFFRACTION	17	G	I	1 - 109	1 - 109
18	X-RAY DIFFRACTION	18	G	I	110 - 211	110 - 211
19	X-RAY DIFFRACTION	19	I	J	1 - 121	1 - 121
20	X-RAY DIFFRACTION	20	I	J	122 - 223	122 - 223
21	X-RAY DIFFRACTION	21	J	K	1 - 109	1 - 109
22	X-RAY DIFFRACTION	22	J	K	110 - 211	110 - 211
23	X-RAY DIFFRACTION	23	K	L	1 - 121	1 - 121
24	X-RAY DIFFRACTION	24	K	L	122 - 223	122 - 223
25	X-RAY DIFFRACTION	25	M	M	1 - 109	1 - 109
26	X-RAY DIFFRACTION	26	M	M	110 - 211	110 - 211
27	X-RAY DIFFRACTION	27	N	N	1 - 121	1 - 121
28	X-RAY DIFFRACTION	28	N	N	122 - 223	122 - 223
29	X-RAY DIFFRACTION	29	O	O	1 - 109	1 - 109
30	X-RAY DIFFRACTION	30	O	O	110 - 211	110 - 211
31	X-RAY DIFFRACTION	31	P	P	1 - 121	1 - 121
32	X-RAY DIFFRACTION	32	P	P	122 - 223	122 - 223
33	X-RAY DIFFRACTION	33	Q	Q	1 - 109	1 - 109
34	X-RAY DIFFRACTION	34	Q	Q	110 - 211	110 - 211
35	X-RAY DIFFRACTION	35	R	R	1 - 121	1 - 121
36	X-RAY DIFFRACTION	36	R	R	122 - 223	122 - 223
37	X-RAY DIFFRACTION	37	S	S	1 - 109	1 - 109
38	X-RAY DIFFRACTION	38	S	S	110 - 211	110 - 211
39	X-RAY DIFFRACTION	39	T	T	1 - 121	1 - 121
40	X-RAY DIFFRACTION	40	T	T	122 - 223	122 - 223
41	X-RAY DIFFRACTION	41	U	U	1 - 109	1 - 109
42	X-RAY DIFFRACTION	42	U	U	110 - 211	110 - 211
43	X-RAY DIFFRACTION	43	V	V	1 - 121	1 - 121
44	X-RAY DIFFRACTION	44	V	V	122 - 223	122 - 223
45	X-RAY DIFFRACTION	45	W	W	1 - 109	1 - 109
46	X-RAY DIFFRACTION	46	W	W	110 - 211	110 - 211
47	X-RAY DIFFRACTION	47	X	X	1 - 121	1 - 121
48	X-RAY DIFFRACTION	48	X	X	122 - 223	122 - 223

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