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- PDB-6xb3: Structure of AcNPV poxin in post-reactive state with Gp[2'-5']Ap[3'] -

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Basic information

Entry
Database: PDB / ID: 6xb3
TitleStructure of AcNPV poxin in post-reactive state with Gp[2'-5']Ap[3']
ComponentsPoxin
KeywordsHYDROLASE / Poxin / p26 / baculovirus / nucleopolyhedrovirus / innate immunity / nuclease / cGAS / cGAMP / STING
Function / homologyNucleopolyhedrovirus p26 protein / Poxin, virus / 2',3'-cyclic GMP-AMP binding / nuclease activity / Hydrolases; Acting on ester bonds / 2',5'-GpAp / Poxin
Function and homology information
Biological speciesAutographa californica nuclear polyhedrosis virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.9 Å
AuthorsEaglesham, J.B. / McCarty, K.L. / Kranzusch, P.J.
CitationJournal: Elife / Year: 2020
Title: Structures of diverse poxin cGAMP nucleases reveal a widespread role for cGAS-STING evasion in host-pathogen conflict.
Authors: Eaglesham, J.B. / McCarty, K.L. / Kranzusch, P.J.
History
DepositionJun 5, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 25, 2020Provider: repository / Type: Initial release
Revision 1.1Mar 6, 2024Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.2Apr 3, 2024Group: Refinement description / Category: pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Poxin
B: Poxin
C: Poxin
D: Poxin
E: Poxin
F: Poxin
G: Poxin
H: Poxin
I: Poxin
J: Poxin
K: Poxin
L: Poxin
M: Poxin
N: Poxin
O: Poxin
P: Poxin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)449,47132
Polymers438,39216
Non-polymers11,07916
Water60,0623334
1
A: Poxin
B: Poxin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)56,1844
Polymers54,7992
Non-polymers1,3852
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: Poxin
D: Poxin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)56,1844
Polymers54,7992
Non-polymers1,3852
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
E: Poxin
F: Poxin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)56,1844
Polymers54,7992
Non-polymers1,3852
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
G: Poxin
H: Poxin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)56,1844
Polymers54,7992
Non-polymers1,3852
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
5
I: Poxin
J: Poxin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)56,1844
Polymers54,7992
Non-polymers1,3852
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
6
K: Poxin
L: Poxin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)56,1844
Polymers54,7992
Non-polymers1,3852
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
7
M: Poxin
N: Poxin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)56,1844
Polymers54,7992
Non-polymers1,3852
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
8
O: Poxin
P: Poxin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)56,1844
Polymers54,7992
Non-polymers1,3852
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)127.234, 127.192, 127.151
Angle α, β, γ (deg.)124.813, 102.390, 102.385
Int Tables number1
Space group name H-MP1
Space group name HallP1
Symmetry operation#1: x,y,z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 1 or resid 3 through 18...
d_2ens_1(chain "B" and (resid 1 or resid 3 through 18...
d_3ens_1(chain "C" and (resid 1 or resid 3 through 18...
d_4ens_1(chain "D" and (resid 1 or resid 3 through 18...
d_5ens_1(chain "E" and (resid 1 or resid 3 through 18...
d_6ens_1(chain "F" and (resid 1 or resid 3 through 18...
d_7ens_1(chain "G" and (resid 1 or resid 3 through 18...
d_8ens_1(chain "H" and (resid 1 or resid 3 through 18...
d_9ens_1(chain "I" and (resid 1 or resid 3 through 18...
d_10ens_1(chain "J" and (resid 1 or resid 3 through 18...
d_11ens_1(chain "K" and (resid 1 or resid 3 through 18...
d_12ens_1(chain "L" and (resid 1 or resid 3 through 18...
d_13ens_1(chain "M" and (resid 1 or resid 3 through 18...
d_14ens_1(chain "N" and (resid 1 or resid 3 through 18...
d_15ens_1(chain "O" and (resid 1 or resid 3 through 18...
d_16ens_1(chain "P" and (resid 1 or resid 3 through 18...

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1METMETA2
d_12ens_1LEUILEA4 - 19
d_13ens_1GLNGLNA21 - 36
d_14ens_1VALSERA38 - 71
d_15ens_1LEUASNA76 - 92
d_16ens_1ARGASNA94 - 107
d_17ens_1THRGLYA109 - 122
d_18ens_1LYSHISA124 - 133
d_19ens_1TRPVALA140 - 163
d_110ens_1VALGLUA165 - 166
d_111ens_1TRPARGA168 - 169
d_112ens_1ASNASPA171 - 183
d_113ens_1LYSGLUA186 - 191
d_114ens_1SERLYSA202 - 208
d_115ens_1SERASNA210 - 217
d_116ens_1GLYILEA219 - 233
d_21ens_1METMETB1
d_22ens_1LEUILEB3 - 18
d_23ens_1GLNGLNB20 - 35
d_24ens_1VALSERB37 - 70
d_25ens_1LEUASNB75 - 91
d_26ens_1ARGASNB93 - 106
d_27ens_1THRGLYB108 - 121
d_28ens_1LYSHISB123 - 132
d_29ens_1TRPVALB139 - 162
d_210ens_1VALGLUB164 - 165
d_211ens_1TRPARGB167 - 168
d_212ens_1ASNASPB170 - 182
d_213ens_1LYSGLUB185 - 190
d_214ens_1SERLYSB198 - 204
d_215ens_1SERASNB206 - 213
d_216ens_1GLYILEB215 - 229
d_31ens_1METMETC1
d_32ens_1LEUILEC3 - 18
d_33ens_1GLNGLNC20 - 35
d_34ens_1VALSERC37 - 70
d_35ens_1LEUASNC75 - 91
d_36ens_1ARGASNC93 - 106
d_37ens_1THRGLYC108 - 121
d_38ens_1LYSHISC123 - 132
d_39ens_1TRPVALC139 - 162
d_310ens_1VALGLUC164 - 165
d_311ens_1TRPARGC167 - 168
d_312ens_1ASNASPC170 - 182
d_313ens_1LYSGLUC185 - 190
d_314ens_1SERLYSC194 - 200
d_315ens_1SERASNC202 - 209
d_316ens_1GLYILEC211 - 225
d_41ens_1METMETD1
d_42ens_1LEUILED3 - 18
d_43ens_1GLNGLND20 - 35
d_44ens_1VALSERD37 - 70
d_45ens_1LEUASND75 - 91
d_46ens_1ARGASND93 - 106
d_47ens_1THRGLYD108 - 121
d_48ens_1LYSHISD123 - 132
d_49ens_1TRPVALD139 - 162
d_410ens_1VALGLUD164 - 165
d_411ens_1TRPARGD167 - 168
d_412ens_1ASNASPD170 - 182
d_413ens_1LYSGLUD185 - 190
d_414ens_1SERLYSD193 - 199
d_415ens_1SERASND201 - 208
d_416ens_1GLYILED210 - 224
d_51ens_1METMETE2
d_52ens_1LEUILEE4 - 19
d_53ens_1GLNGLNE21 - 36
d_54ens_1VALSERE38 - 71
d_55ens_1LEUASNE76 - 92
d_56ens_1ARGASNE94 - 107
d_57ens_1THRGLYE109 - 122
d_58ens_1LYSHISE124 - 133
d_59ens_1TRPVALE140 - 163
d_510ens_1VALGLUE165 - 166
d_511ens_1TRPARGE168 - 169
d_512ens_1ASNASPE171 - 183
d_513ens_1LYSGLUE186 - 191
d_514ens_1SERLYSE199 - 205
d_515ens_1SERASNE207 - 214
d_516ens_1GLYILEE216 - 230
d_61ens_1METMETF2
d_62ens_1LEUILEF4 - 19
d_63ens_1GLNGLNF21 - 36
d_64ens_1VALSERF38 - 71
d_65ens_1LEUASNF74 - 90
d_66ens_1ARGASNF92 - 105
d_67ens_1THRGLYF107 - 120
d_68ens_1LYSHISF122 - 131
d_69ens_1TRPVALF134 - 157
d_610ens_1VALGLUF159 - 160
d_611ens_1TRPARGF162 - 163
d_612ens_1ASNASPF165 - 177
d_613ens_1LYSGLUF180 - 185
d_614ens_1SERLYSF189 - 195
d_615ens_1SERASNF197 - 204
d_616ens_1GLYILEF206 - 220
d_71ens_1METMETG2
d_72ens_1LEUILEG4 - 19
d_73ens_1GLNGLNG21 - 36
d_74ens_1VALSERG38 - 71
d_75ens_1LEUASNG76 - 92
d_76ens_1ARGASNG94 - 107
d_77ens_1THRGLYG109 - 122
d_78ens_1LYSHISG124 - 133
d_79ens_1TRPVALG140 - 163
d_710ens_1VALGLUG165 - 166
d_711ens_1TRPARGG168 - 169
d_712ens_1ASNASPG171 - 183
d_713ens_1LYSGLUG186 - 191
d_714ens_1SERLYSG195 - 201
d_715ens_1SERASNG203 - 210
d_716ens_1GLYILEG212 - 226
d_81ens_1METMETH2
d_82ens_1LEUILEH4 - 19
d_83ens_1GLNGLNH21 - 36
d_84ens_1VALSERH38 - 71
d_85ens_1LEUASNH76 - 92
d_86ens_1ARGASNH94 - 107
d_87ens_1THRGLYH109 - 122
d_88ens_1LYSHISH124 - 133
d_89ens_1TRPVALH140 - 163
d_810ens_1VALGLUH165 - 166
d_811ens_1TRPARGH168 - 169
d_812ens_1ASNASPH171 - 183
d_813ens_1LYSGLUH186 - 191
d_814ens_1SERLYSH199 - 205
d_815ens_1SERASNH207 - 214
d_816ens_1GLYILEH216 - 230
d_91ens_1METMETI1
d_92ens_1LEUILEI3 - 18
d_93ens_1GLNGLNI20 - 35
d_94ens_1VALSERI37 - 70
d_95ens_1LEUASNI75 - 91
d_96ens_1ARGASNI93 - 106
d_97ens_1THRGLYI108 - 121
d_98ens_1LYSHISI123 - 132
d_99ens_1TRPVALI139 - 162
d_910ens_1VALGLUI164 - 165
d_911ens_1TRPARGI167 - 168
d_912ens_1ASNASPI170 - 182
d_913ens_1LYSGLUI185 - 190
d_914ens_1SERLYSI198 - 204
d_915ens_1SERASNI206 - 213
d_916ens_1GLYILEI215 - 229
d_101ens_1METMETJ2
d_102ens_1LEUILEJ4 - 19
d_103ens_1GLNGLNJ21 - 36
d_104ens_1VALSERJ38 - 71
d_105ens_1LEUASNJ76 - 92
d_106ens_1ARGASNJ94 - 107
d_107ens_1THRGLYJ109 - 122
d_108ens_1LYSHISJ124 - 133
d_109ens_1TRPVALJ138 - 161
d_1010ens_1VALGLUJ163 - 164
d_1011ens_1TRPARGJ166 - 167
d_1012ens_1ASNASPJ169 - 181
d_1013ens_1LYSGLUJ184 - 189
d_1014ens_1SERLYSJ200 - 206
d_1015ens_1SERASNJ208 - 215
d_1016ens_1GLYILEJ217 - 231
d_111ens_1METMETK2
d_112ens_1LEUILEK4 - 19
d_113ens_1GLNGLNK21 - 36
d_114ens_1VALASNK38 - 88
d_115ens_1ARGASNK90 - 103
d_116ens_1THRGLYK105 - 118
d_117ens_1LYSHISK120 - 129
d_118ens_1TRPVALK136 - 159
d_119ens_1VALGLUK161 - 162
d_1110ens_1TRPARGK164 - 165
d_1111ens_1ASNASPK167 - 179
d_1112ens_1LYSGLUK182 - 187
d_1113ens_1SERLYSK192 - 198
d_1114ens_1SERASNK200 - 207
d_1115ens_1GLYILEK209 - 223
d_121ens_1METMETL2
d_122ens_1LEUILEL4 - 19
d_123ens_1GLNGLNL21 - 36
d_124ens_1VALSERL38 - 71
d_125ens_1LEUASNL76 - 92
d_126ens_1ARGASNL94 - 107
d_127ens_1THRGLYL109 - 122
d_128ens_1LYSHISL124 - 133
d_129ens_1TRPVALL138 - 161
d_1210ens_1VALGLUL163 - 164
d_1211ens_1TRPARGL166 - 167
d_1212ens_1ASNASPL169 - 181
d_1213ens_1LYSGLUL184 - 189
d_1214ens_1SERLYSL192 - 198
d_1215ens_1SERASNL200 - 207
d_1216ens_1GLYILEL209 - 223
d_131ens_1METMETM2
d_132ens_1LEUILEM4 - 19
d_133ens_1GLNGLNM21 - 36
d_134ens_1VALSERM38 - 71
d_135ens_1LEUASNM76 - 92
d_136ens_1ARGASNM94 - 107
d_137ens_1THRGLYM109 - 122
d_138ens_1LYSHISM124 - 133
d_139ens_1TRPVALM140 - 163
d_1310ens_1VALGLUM165 - 166
d_1311ens_1TRPARGM168 - 169
d_1312ens_1ASNASPM171 - 183
d_1313ens_1LYSGLUM186 - 191
d_1314ens_1SERLYSM195 - 201
d_1315ens_1SERASNM203 - 210
d_1316ens_1GLYILEM212 - 226
d_141ens_1METMETN2
d_142ens_1LEUILEN4 - 19
d_143ens_1GLNGLNN21 - 36
d_144ens_1VALSERN38 - 71
d_145ens_1LEUASNN76 - 92
d_146ens_1ARGASNN94 - 107
d_147ens_1THRGLYN109 - 122
d_148ens_1LYSHISN124 - 133
d_149ens_1TRPVALN135 - 158
d_1410ens_1VALGLUN160 - 161
d_1411ens_1TRPARGN163 - 164
d_1412ens_1ASNASPN166 - 178
d_1413ens_1LYSGLUN181 - 186
d_1414ens_1SERLYSN193 - 199
d_1415ens_1SERASNN201 - 208
d_1416ens_1GLYILEN210 - 224
d_151ens_1METMETO2
d_152ens_1LEUILEO4 - 19
d_153ens_1GLNGLNO21 - 36
d_154ens_1VALSERO38 - 71
d_155ens_1LEUASNO76 - 92
d_156ens_1ARGASNO94 - 107
d_157ens_1THRGLYO109 - 122
d_158ens_1LYSHISO124 - 133
d_159ens_1TRPVALO140 - 163
d_1510ens_1VALGLUO165 - 166
d_1511ens_1TRPARGO168 - 169
d_1512ens_1ASNASPO171 - 183
d_1513ens_1LYSGLUO186 - 191
d_1514ens_1SERLYSO194 - 200
d_1515ens_1SERASNO202 - 209
d_1516ens_1GLYILEO211 - 225
d_161ens_1METMETP2
d_162ens_1LEUILEP4 - 19
d_163ens_1GLNGLNP21 - 36
d_164ens_1VALSERP38 - 71
d_165ens_1LEUASNP76 - 92
d_166ens_1ARGASNP94 - 107
d_167ens_1THRGLYP109 - 122
d_168ens_1LYSHISP124 - 133
d_169ens_1TRPVALP140 - 163
d_1610ens_1VALGLUP165 - 166
d_1611ens_1TRPARGP168 - 169
d_1612ens_1ASNASPP171 - 183
d_1613ens_1LYSGLUP186 - 191
d_1614ens_1SERLYSP196 - 202
d_1615ens_1SERASNP204 - 211
d_1616ens_1GLYILEP213 - 227

NCS oper:
IDCodeMatrixVector
1given(-0.163635064106, 0.986296107708, 0.0210607149603), (0.986114977123, 0.162918059882, 0.0321707578013), (0.0282987223804, 0.0260325504665, -0.999260470862)76.9113362789, -65.3306279307, 3.17467615569
2given(-0.253570555199, -0.642381379153, 0.723220669819), (-0.673880257401, -0.419067325327, -0.608496487688), (0.693964964693, -0.641660923355, -0.326624994785)-50.9865723635, -56.2639520449, 0.0233702533531
3given(-0.599989015954, -0.315302134777, -0.73525352399), (-0.34242613514, -0.729396496558, 0.592220476497), (-0.723019724978, 0.607095803489, 0.329662194797)-24.7949676449, -81.0015338409, 94.8797471567
4given(-0.996198041844, 0.0821652079867, -0.0289541019979), (0.0763149877192, 0.662762861922, -0.744930474277), (-0.04201766385, -0.744307911723, -0.666513502092)17.6064217156, -9.75204757186, -19.6660561785
5given(0.202989683176, -0.979166542398, -0.00529818571803), (0.64852550388, 0.130387064847, 0.749942587227), (-0.733627875248, -0.155666616744, 0.661481704275)-63.5817021311, -51.5901351514, 24.3680809096
6given(0.237062127446, 0.6306376859, -0.738984206092), (-0.971406049282, 0.164136781498, -0.171550005476), (0.0131085906959, 0.758521737383, 0.651515877602)9.55482852412, -6.29636798714, 117.654424221
7given(0.592778811574, 0.288758790634, 0.751818888683), (0.284953232362, -0.948327341071, 0.139559698856), (0.753269497534, 0.131505190049, -0.644431104987)-17.6796274765, -91.7524640975, 70.4923747771
8given(-0.268191824423, -0.639423261001, 0.720563001134), (-0.638437381753, -0.442159283883, -0.629994347004), (0.721436660347, -0.628993689131, -0.289648207555)-16.8777913339, -72.7270102832, -47.3709115835
9given(-0.570691628256, -0.344791074526, -0.745271883521), (-0.346432017189, -0.721767109584, 0.599197043541), (-0.744510525718, 0.600142778387, 0.292459779533)6.8617783495, -95.2269356509, 48.1435323583
10given(0.189779692988, -0.981819444689, -0.00377440860404), (0.628626068569, 0.118554774555, 0.768618261132), (-0.754196880161, -0.148240829264, 0.639696586277)-84.0490735963, -23.4994300268, 71.72676816
11given(-0.997929378408, 0.0643146213437, 0.000764978190126), (0.0422631033881, 0.664642637484, -0.745965142973), (-0.0484849028278, -0.744388201088, -0.665984549579)-3.87641627578, 19.3508805503, 26.926083775
12given(0.573090943771, 0.278777106686, 0.770616697818), (0.263020107704, -0.953181057053, 0.149218951269), (0.776136066107, 0.117171657247, -0.619583416197)14.8653963564, -106.088056213, 23.3261497534
13given(0.205985081211, 0.631052986939, -0.747891886568), (-0.97831045826, 0.149892953365, -0.142971150206), (0.0218813522919, 0.761120378263, 0.64824144901)42.8887038846, -21.4815068967, 71.679130568
14given(0.999395399703, -0.0191965976227, -0.0289883716632), (0.0198641549918, 0.999539966252, 0.0229187960471), (0.0285350731282, -0.0234807688439, 0.999316968282)-21.6625622758, 28.6996619804, 45.8901304941
15given(-0.138927220776, 0.98953641669, 0.0389474950563), (0.99023480691, 0.139270392516, -0.00622775665907), (-0.0115868249324, 0.0377019603223, -0.99922185108)55.3770634448, -37.0315852086, 52.3207837577

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Components

#1: Protein
Poxin / Protein p26 / p26


Mass: 27399.492 Da / Num. of mol.: 16
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Autographa californica nuclear polyhedrosis virus
Gene: P26 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3)
References: UniProt: P08358, Hydrolases; Acting on ester bonds
#2: Chemical
ChemComp-9BG / 2',5'-GpAp / [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl [(2~{R},3~{R},4~{R},5~{R})-2-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate


Mass: 692.427 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: C20H26N10O14P2 / Feature type: SUBJECT OF INVESTIGATION
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 3334 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestY

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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: 3.42 Å3/Da / Density % sol: 63.99 %
Crystal growTemperature: 291 K / Method: vapor diffusion, hanging drop / Details: 100 mM sodium acetate, 35-39% PEG-400 / PH range: 4.8 - 5.2

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.9793 Å
DetectorType: DECTRIS EIGER2 X 16M / Detector: PIXEL / Date: Dec 6, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9793 Å / Relative weight: 1
ReflectionResolution: 1.9→38.31 Å / Num. obs: 422103 / % possible obs: 92.3 % / Redundancy: 3.7 % / CC1/2: 0.994 / Rpim(I) all: 0.045 / Net I/σ(I): 19.5
Reflection shellResolution: 1.9→1.93 Å / Mean I/σ(I) obs: 1.3 / Num. unique obs: 20247 / CC1/2: 0.623 / Rpim(I) all: 0.581 / % possible all: 90

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Processing

Software
NameVersionClassification
PHENIX1.18.2_3874refinement
XDSdata reduction
Aimlessdata scaling
AutoSolphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: Unpublished SAD-phased structure of a Se-Met derivative

Resolution: 1.9→38.31 Å / Cross valid method: FREE R-VALUE / σ(F): 25.45 / Phase error: 22.5078
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
Details: Twin Law: -l,-h,h+k+l
RfactorNum. reflection% reflection
Rfree0.2083 2037 1.15 %
Rwork0.1748 417174 -
obs0.1864 422034 92.33 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 28.29 Å2
Refinement stepCycle: LAST / Resolution: 1.9→38.31 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms29078 0 736 3334 33148
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00730519
X-RAY DIFFRACTIONf_angle_d1.012941536
X-RAY DIFFRACTIONf_chiral_restr0.06124741
X-RAY DIFFRACTIONf_plane_restr0.00655171
X-RAY DIFFRACTIONf_dihedral_angle_d16.428411064
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS0.563630497636
ens_1d_3AX-RAY DIFFRACTIONTorsion NCS0.734336008771
ens_1d_4AX-RAY DIFFRACTIONTorsion NCS0.687472902132
ens_1d_5AX-RAY DIFFRACTIONTorsion NCS0.726509881854
ens_1d_6AX-RAY DIFFRACTIONTorsion NCS0.510216792048
ens_1d_7AX-RAY DIFFRACTIONTorsion NCS0.682585902744
ens_1d_8AX-RAY DIFFRACTIONTorsion NCS0.585097641526
ens_1d_9AX-RAY DIFFRACTIONTorsion NCS0.546416319108
ens_1d_10AX-RAY DIFFRACTIONTorsion NCS0.407304821799
ens_1d_11AX-RAY DIFFRACTIONTorsion NCS0.689300059488
ens_1d_12AX-RAY DIFFRACTIONTorsion NCS0.566369646369
ens_1d_13AX-RAY DIFFRACTIONTorsion NCS0.729519099116
ens_1d_14AX-RAY DIFFRACTIONTorsion NCS0.539188426111
ens_1d_15AX-RAY DIFFRACTIONTorsion NCS0.684630162686
ens_1d_16AX-RAY DIFFRACTIONTorsion NCS0.686104458665
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.9-1.940.28381220.278927337X-RAY DIFFRACTION89.97
1.94-1.990.2931380.261827460X-RAY DIFFRACTION90.16
1.99-2.050.29981310.243127417X-RAY DIFFRACTION89.87
2.05-2.110.30451460.226628663X-RAY DIFFRACTION93.84
2.11-2.170.27221390.222428423X-RAY DIFFRACTION93.54
2.17-2.250.19531360.215628429X-RAY DIFFRACTION93
2.25-2.340.23621350.209427816X-RAY DIFFRACTION91.7
2.34-2.450.22891350.206826819X-RAY DIFFRACTION87.52
2.45-2.580.23571470.200728651X-RAY DIFFRACTION94.54
2.58-2.740.1921400.191928735X-RAY DIFFRACTION94.12
2.74-2.950.23921260.193928339X-RAY DIFFRACTION92.65
2.95-3.250.25991290.182126760X-RAY DIFFRACTION88.25
3.25-3.720.19651420.176529067X-RAY DIFFRACTION95.06
3.72-4.680.17321300.150827417X-RAY DIFFRACTION90.01
4.68-38.310.17881410.154728664X-RAY DIFFRACTION94.02
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)
10.6428815902060.2564208789860.02882005377961.110053421010.002714201837260.164581708425-0.1197484977250.1123702489760.162768129377-0.1789164455940.0269692682954-0.0917531197942-0.189901077861-0.1506728434580.06411518951870.2618664411770.00510032754592-0.03056843172450.1713239823170.0522920459430.34937257281814.8488399575-13.7347913992-6.0096955305
21.40699443297-0.395941842222-0.1542326201051.19720445146-0.1781752847740.977875043757-0.0992901459907-0.1253035808360.102228665713-0.1184719077050.0266476147363-0.00932754244146-0.071046452639-0.07430855526770.04609958822870.172221635858-0.0167946487382-0.01267415215450.1524389644440.007054109064070.20319708016819.7667909976-27.4111764407-3.09877491117
30.973089077307-0.331390626951-0.3351004111841.520681707460.2041212211590.851704718618-0.00657050264865-0.03803247678310.3333170591080.2086196949820.0510798182948-0.0424908874719-0.1487784358890.1062545466680.01735559525950.166282513991-0.00283198382132-0.04604807797680.165845351390.0182580647990.26819987793626.9225797873-21.6024900472.91860616246
41.584362578870.05387450520740.6005926300981.25749213404-0.3934310901541.41884144394-0.0838720644947-0.3135548696020.385747261360.0933516841729-0.0281238951895-0.163744299293-0.258781927503-0.1443066101410.02279104523180.221299839308-0.00018473257852-0.03927069147940.202014420496-0.05809872013640.36016811210724.5445662563-11.25514638184.49847219137
51.33381578232-0.2778894684850.1896826486171.78718791756-0.03967460427051.7909339228-0.366530425738-0.2378949073610.2613354077620.391963511705-0.0656110124745-0.143345376789-0.146608627784-0.4734417784510.4572211008620.258895411837-0.000699362938518-0.06634443579890.149812147595-0.0256909627980.29379576116827.2450667477-17.79025272067.52817957633
60.709028251571-0.5140746501070.2886731293251.147332686530.3397733389150.983729671137-0.0212930423455-0.04571330216550.0885688804049-0.009523002857310.0679122657825-0.204121294570.01759250437020.0550913573808-0.07901403661660.1624336097450.00172422784616-0.03524359891920.158326382828-0.009475051584760.22214924180426.9152665685-31.37530846411.80011027605
71.730874100310.05452319144480.6222296608820.5872963498210.002890639417182.154280244630.0663673679406-0.408368046427-0.1548602639670.1231347497830.03223647695320.04511104935110.0719226801536-0.165900698995-0.09132651519640.23028753437-0.041672496991-0.01934012285990.2354435880760.02143302921970.17876593502431.6796621296-47.519970616218.3211652341
80.645815499711-0.3951406805620.3266885422080.467677629545-0.336995710330.498163859535-0.0625402812217-0.1165228158090.0123839510038-0.02893969903530.09741683699080.05576837511560.0297407002842-0.0628316152867-0.0005941106019150.178569064429-0.00561454136902-0.02332761485850.1946574761710.008612867324190.19454792930226.8919287285-44.706911159610.3314074921
90.3924571385670.0599593643513-0.5876658095030.9121098437550.3982887579061.14979370793-0.014777292182-0.09125758875760.128599225573-0.0116350680995-0.0860003198437-0.08092708741060.01191695796840.3009376201910.1578209010750.18129365827-0.00731341488002-0.08410987534330.3064320288780.0003556561189330.37414210723662.8546388912-52.53885949917.71651085285
100.998146145345-0.0715040660623-0.2114051457560.848831684247-0.1409667477740.6874278271050.0870328218675-0.0267232918531-0.1120337698670.00262988808913-0.0130756208197-0.02222466514420.227797954250.138442761874-0.02804951563870.176163846242-0.0145706011095-0.04481660413680.177146318054-0.01334496261510.23834356475549.9082385319-55.66155352635.12099750106
111.2191998108-0.58781223693-0.002087988028950.545448463128-0.1826584999921.170675230980.046009122890.08041769789130.1035018546120.0438941195362-0.0512877645196-0.163926365383-0.0821972246720.0922965392748-0.02661362783590.147108869641-0.0172415134175-0.04113154864480.160122282943-0.003616938601560.23921572777949.7005821038-44.4416317413.90828513088
121.95291418548-0.544957473166-0.2044683477821.40456550175-0.3000843524871.607737635160.1686287493720.2698096583690.217305179342-0.0634739564242-0.128833014719-0.198315006391-0.1383292336540.2583489027640.006126736337150.151527410933-0.0173349759650.001604302125420.2464951884750.03096687197380.30402059516557.9676372625-41.7779161121-2.69264319182
131.44276788416-0.332700061417-0.2153397406221.147182936130.08582963400951.704117588560.1255544092720.06069362624590.03835922805590.0899018245243-0.0183193995428-0.133628110495-0.0619497544044-0.0585797383607-0.06581217792450.1336542324690.0227958663465-0.00995681513960.1686352732280.01556167313920.19982858533837.8779718505-44.97596399983.17021823193
141.08097560452-0.3918438207010.1681111459421.23509123024-0.7097446728871.08528852189-0.01177065339750.305708309411-0.100415182356-0.4700187621570.0662874342122-0.1480626996140.188640556830.22934638389-0.07361262744770.235374662101-0.02610255594740.01168722068860.219835031104-0.01204351095790.15962943031929.6365343425-42.4477975344-15.8546170488
150.3441079727860.0730490588805-0.09808234118461.89985529106-0.4549520894670.643009573972-0.00877232548513-0.0431217547021-0.102378303839-0.2974097537180.08240874559770.2763872726450.079781647498-0.143671470863-0.002437867366970.248344870763-0.0229339751044-0.06268406996450.2259176013680.03011631118110.25571567170423.7736898685-44.1543950827-11.5297109238
161.527477746990.236581657870.1769370896291.52183224426-0.7498294122040.852740593537-0.0120367291179-0.0808874231154-0.00343044698683-0.0928127325953-0.0423627943251-0.05026764847490.0437768035868-0.06810654401170.03703445491430.168015673469-0.0198392145542-0.003008226608140.161939808307-0.02222864124980.17196804918730.0101209997-43.3208323182-5.93731897069
171.521393104420.304968052209-0.6716324852591.733464868340.259909820251.843813872840.197172180128-0.273333630168-0.125016378954-0.123360655201-0.2057996446930.2853144876580.114397303911-0.2038046528550.004674230478650.225355384925-0.0255510126763-0.08427288625070.2992100914660.01957327453120.303230596056-50.3268515419-58.910400806919.142243738
181.09311625601-0.413667861556-0.019260967790.689999529428-0.3456038414631.179153721650.082839347690.054940138112-0.004313244836110.0027946428767-0.125345987175-0.00545378856012-0.0786024245902-0.002785641332860.06496801580190.187038289486-0.0251854435947-0.0031345711880.25762873362-0.00656474184210.257415330218-40.2100066802-53.804445262326.5485886223
190.895537746528-0.1568510329410.2207984965370.5566102665950.3747115942911.208704507820.0551649133501-0.0867006435569-0.120834647072-0.110503615959-0.01248861873120.2379824056530.139120465881-0.147008078337-0.08257334616860.212120541808-0.0495312935092-0.03962954493450.2624712676780.04304316144640.247013086794-43.9252187882-62.447575512131.9678595074
201.58698542269-0.3228004615070.4967680016360.7721033430720.2188125076511.235214348510.04020196319860.102349424948-0.312470536761-0.04692697603590.07302472647670.2451743243270.191223830716-0.0490107282138-0.0845295444640.249754348944-0.0418284434346-0.02856576196070.2384294307210.02124898099730.284471133752-44.2611367383-67.629561970628.4781349079
210.927221596253-0.1650514365070.3072749422120.7170504062480.01183596512971.161385456140.0442602570945-0.0777972109137-0.1368821458940.01837256531930.04080976929070.1165979950140.320141201190.0886179533024-0.09817247642050.262957463061-0.00768743787409-0.04493097471390.2270560165530.006740375742090.191170094226-36.3819107177-66.620823602134.6833410003
221.74847250654-0.1590781677450.8106939672980.533858529123-0.2807158739912.545260449120.00157258063620.482619239746-0.132320328403-0.250559711775-0.0461768070438-0.3344919838710.3700315732310.3974284745550.07086204654910.225410040910.01190313837070.01219645962430.3784376549-0.02036658406910.269523926051-17.3182965292-69.87327596542.3340052634
230.972662702387-0.2384792086070.3393908913141.018195339450.07836607971050.826806980087-0.133956247681-0.00306535382966-0.0965234758299-0.09000684133980.0542422729159-0.2429438979050.05228585886180.3870863604850.01814566467040.2479969611320.0182986597550.0003853637193460.4429727856650.04441068109640.304215451082-16.9548331188-66.222311283546.5955351164
241.118819938110.05539579172050.3847505267991.16441685525-0.05355641422530.903077373967-0.04924674198580.142179888675-0.0712945526018-0.0754781079290.0864866195142-0.09422572548410.0005716142569040.406954791788-0.03952468746490.226862972014-0.0248037772899-0.01195805465240.2862284072690.01039796470560.197163524313-24.5853773787-63.601858607544.1673017509
250.6882932088120.430267414769-0.09757495354291.409484387331.188782390091.457613865540.0471820255646-0.22307609249-0.24420605339-0.001652144874420.1120449446890.06189590978070.297998419203-0.253002438845-0.1730086312910.31604629421-0.0380572698946-0.06100974658390.2211077561410.07302470464750.260400695235-27.0705594718-80.149401750275.6850749821
260.755813866929-0.04125292836190.1857745685660.5095522683440.09649345034951.0623357378-0.128210646702-0.03690666521060.0106394889952-0.05542229110660.0547440899341-0.07146395170790.08141716356340.04426669210840.04516833817410.284430070131-0.0324805977314-0.007970356899340.197791065967-0.01095530180730.278094362948-23.601821828-68.996589899668.8005389304
271.14604038550.02438242690610.08349826253411.080458975250.2353329494761.70504389976-0.0538464921971-0.112228091503-0.202919625199-0.1115210451160.111995463906-0.06786785703760.08757335290420.0135127116556-0.09760475831480.283284029723-0.0411301261131-0.01407255457560.1820498568590.03040198291880.224404807932-25.2808786701-73.165689357260.8124521458
280.8866168316950.199737622721-0.09315843632261.23799615151-0.1870763757071.347612615350.175094372141-0.128195762297-0.1037231429570.2479213375-0.01341395494270.2661638676090.0538771187441-0.291403199726-0.08962962736510.275929969872-0.0440867471689-0.02440748949290.3022690193190.0520790605980.280415643768-36.7989782287-74.777976450664.8936641153
290.9021609514521.0220071028-0.1606522283332.50100681555-0.4452001832292.20795576130.131854248546-0.06943855839440.0849715329776-0.0748874194148-0.03285269477290.275500053969-0.171418269413-0.176651401715-0.1178469566230.2210962394220.0130501204963-0.03708138387810.2258532045130.02563443737520.20631657138-34.6717305105-67.90133726358.7021769195
301.914770451420.3953925091670.5677245372511.714877128150.08245658753911.89711715233-0.257204611808-0.272947738346-0.2044363186550.2461088004480.2881836550110.3959797691840.433475062016-0.447924049562-0.00944778914420.305849210373-0.0694203737525-0.02898972780130.3350559653670.07575698701770.288836847897-38.6287877705-79.039590513171.385377688
310.5776174806580.2808299155890.7597775721481.57871258049-0.7664770162061.9680770351-0.0231645717784-0.195726569645-0.0784777257335-0.008123306064390.3127805187680.305999570364-0.119485943599-0.388990125408-0.2020728623340.214856946802-0.0614193381201-0.03773704635490.3220307141210.09258439962940.252694275506-42.0213910565-71.729276553366.599010007
320.617557146517-0.4666380177530.3342584770471.26508196845-0.3592053714931.87403680960.05062224286270.0824172019774-0.08319202984360.228555516823-0.0183921973591-0.13984520552-0.0556602694749-0.1666884185050.01640268231310.2224265813580.00196559138118-0.008130970566790.2306657717110.03658237769280.227379580603-29.2966966559-64.491635905354.2654751385
332.17426326167-0.1352246782930.466014573141.71264164655-0.1301961365851.97226290122-0.062671134912-0.1923874770710.2398990188690.2863543495020.006469487062580.152098031754-0.502670253862-0.3753086045990.01981239591510.3866124585130.05577275670990.005077322636960.2470910921450.004074170029490.275288012305-41.2563248207-48.320965262850.9269493297
340.437000459446-0.1654542628120.4724750542250.164579263590.1239511993431.43652000725-0.0797746104311-0.125559125376-0.09001568190960.1539420085530.0564536849867-0.0741356082197-0.326101631861-0.0570021720020.02586025989240.2969952650810.0142968304894-0.02897017607310.2289888606540.0004763984670550.197496964923-35.4065972083-54.624968495551.406248352
351.212437647990.304972757539-0.1578006832310.0931863982712-0.08122976071690.989672111334-0.1619036778350.1883945681170.232829954595-0.2066110164450.1215545659580.299437988127-0.212064026534-0.08500661243440.05253636354760.289843139037-0.0372301326795-0.0470705243320.2454288344030.06551731600160.3433047013411.95884377393-12.9013095601-10.52190813
361.428063302550.121903541633-0.4026368815030.7995601963620.03593402361890.603146628402-0.0392077172737-0.1000542262620.0621122258780.09010185825010.06737657297690.0687860850955-0.113655017080.00669825301817-0.02017576747420.1962871841860.0047012753254-0.01155367175590.1691939279330.02941606550430.25404258582-2.34046550945-20.79770645190.856869204406
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1270.67200948049-0.367230132032-1.105908902491.435975296790.6476635505142.40255689121-0.0154457072194-0.593540432889-0.04049005655990.5345328579270.2370437935750.208284351007-0.0541329327758-0.0791791747129-0.195791329030.3552797420430.0242020686640.03435950415660.3064869879050.04027743583130.2486033328088.60124243486-13.304206413566.5351305844
1280.346885197237-0.6152260758640.1754359520381.53209398619-0.8967582138160.952326649473-0.119560708056-0.351607616386-0.2442291415290.5825459631780.1262168550350.179470518410.0548393437820.1643887685560.02051922908390.3498748186590.08564675350970.0117824298510.3508790395090.103639806870.364403893889.79079008095-17.710957285763.4473850604
1290.241959719291-0.05731321647910.1600188206710.0194486108669-0.05101437328330.122026709274-0.101913815267-0.0563939612513-0.09091272489770.1229729479510.09497411380010.104838219603-0.0776555496698-0.164419687061-0.02869542727390.2298095030050.03076168552980.01566076948550.2719492125210.0172973747080.3018366382947.48114529589-12.306940892457.0155461585
1300.9602792013840.235190138987-0.05939787836581.93268028681.330913042492.08940672165-0.0613200852740.02146004628850.2418232305230.0785782425351-0.00779726609355-0.155401655154-0.0596944035810.514170440420.1642507659320.248917237073-0.0160457646674-0.07740963890480.3104306474920.03705536616680.35126055990342.9566645678-23.550796569855.005319508
1311.69512376147-0.363338060076-0.1713416454461.56158078418-0.6321208547370.51980465338-0.063396943944-0.22029298650.3165786219060.290923890218-0.0871835839549-0.02585783154970.3111732028020.1285179265890.2636059074350.239620976649-0.00183737555977-0.04180823286790.261414740845-0.03372389273610.28969143426135.9070502769-25.107564305859.8714854799
1320.923862087726-0.0341303284868-0.0414671126011.446681231430.2671268562831.81197538537-0.130385109093-0.000939349913206-0.0222996963953-0.05441776771420.0007417725254730.1234142567750.280349500746-0.04512132116320.1655640502420.18367216385-0.0118306499125-0.03151656717450.183237836642-0.0285810471590.22230216387223.4889098337-26.493636450352.8859841188
1331.21926262657-0.643135245587-0.1326428918920.4882978470020.1166255261110.9792483403040.06327412820820.01123164410280.1534987112850.0551620147119-0.115169215819-0.208460164987-0.1971993701140.06918395024780.01948468831280.248339042811-0.0230974315191-0.04215986135120.2140432854860.01494789101950.30641013816230.0141624134-12.636514165750.4447318712
1341.0126590001-0.217382772227-0.6852978293240.355541090009-0.02130593151470.9124812053340.08227221574720.3575684919130.243726478144-0.047488915093-0.0714246951291-0.225162687702-0.206530883880.324339611111-0.01094669026310.226280059759-0.0271524192546-0.01463811829750.3273603486850.0530106326870.37354019170736.9823254167-13.273947094845.0834827825
1351.85892567024-0.3144834941880.3265103849051.069886717310.04287962812561.559295767320.236220650557-0.0983971870403-0.04986957963490.113536789683-0.0835212115589-0.141219575042-0.0709007517042-0.1759204696630.0127396062960.1828242329360.01823817893670.003864233817760.2350135086360.004195909376060.22374944408316.7577508791-15.730106352551.0664339697
1360.7372897179230.60399057072-0.09401720215950.599944908219-0.04909208719350.5355436340580.03519907133320.270836851792-0.200237215374-0.4910800559170.02301909286870.1134483449950.12865589898-0.0139216174882-5.18036579958E-60.3131821502310.0361456477789-0.07558432964040.330349911068-0.04702637952120.2919248744935.79360187676-14.381747751233.3745022027
1370.599219919122-0.5602041769970.04438614749220.674686230344-0.2084326758970.178855229380.07875597123610.120159880858-0.00355203332572-0.115636190395-0.1288907730410.00483236330864-0.0121089562971-0.04797029865270.03386708327570.2075464057720.0111966986572-0.008864602946920.217492231912-0.01051926469570.25275944759811.0431785993-13.608256791840.6016517241
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 0 through 30 )AA0 - 301 - 31
22chain 'A' and (resid 31 through 64 )AA31 - 6432 - 65
33chain 'A' and (resid 65 through 104 )AA65 - 10466 - 105
44chain 'A' and (resid 105 through 122 )AA105 - 122106 - 123
55chain 'A' and (resid 123 through 138 )AA123 - 138124 - 139
66chain 'A' and (resid 139 through 162 )AA139 - 162140 - 163
77chain 'A' and (resid 163 through 190 )AA163 - 190164 - 191
88chain 'A' and (resid 191 through 233 )AA191 - 233192 - 234
99chain 'B' and (resid 1 through 21 )BB1 - 211 - 21
1010chain 'B' and (resid 22 through 39 )BB22 - 3922 - 39
1111chain 'B' and (resid 40 through 104 )BB40 - 10440 - 104
1212chain 'B' and (resid 105 through 143 )BB105 - 143105 - 143
1313chain 'B' and (resid 144 through 162 )BB144 - 162144 - 162
1414chain 'B' and (resid 163 through 180 )BB163 - 180163 - 180
1515chain 'B' and (resid 181 through 209 )BB181 - 209181 - 206
1616chain 'B' and (resid 210 through 232 )BB210 - 232207 - 229
1717chain 'C' and (resid 1 through 21 )CC1 - 211 - 21
1818chain 'C' and (resid 22 through 39 )CC22 - 3922 - 39
1919chain 'C' and (resid 40 through 92 )CC40 - 9240 - 92
2020chain 'C' and (resid 93 through 127 )CC93 - 12793 - 127
2121chain 'C' and (resid 128 through 162 )CC128 - 162128 - 162
2222chain 'C' and (resid 163 through 180 )CC163 - 180163 - 180
2323chain 'C' and (resid 181 through 209 )CC181 - 209181 - 202
2424chain 'C' and (resid 210 through 233 )CC210 - 233203 - 226
2525chain 'D' and (resid 1 through 21 )DD1 - 211 - 21
2626chain 'D' and (resid 22 through 39 )DD22 - 3922 - 39
2727chain 'D' and (resid 40 through 64 )DD40 - 6440 - 64
2828chain 'D' and (resid 65 through 92 )DD65 - 9265 - 92
2929chain 'D' and (resid 93 through 104 )DD93 - 10493 - 104
3030chain 'D' and (resid 105 through 123 )DD105 - 123105 - 123
3131chain 'D' and (resid 124 through 143 )DD124 - 143124 - 143
3232chain 'D' and (resid 144 through 162 )DD144 - 162144 - 162
3333chain 'D' and (resid 163 through 209 )DD163 - 209163 - 201
3434chain 'D' and (resid 210 through 233 )DD210 - 233202 - 225
3535chain 'E' and (resid 0 through 15 )EE0 - 151 - 16
3636chain 'E' and (resid 16 through 64 )EE16 - 6417 - 65
3737chain 'E' and (resid 65 through 143 )EE65 - 14366 - 144
3838chain 'E' and (resid 144 through 162 )EE144 - 162145 - 163
3939chain 'E' and (resid 163 through 180 )EE163 - 180164 - 181
4040chain 'E' and (resid 181 through 209 )EE181 - 209182 - 207
4141chain 'E' and (resid 210 through 233 )EE210 - 233208 - 231
4242chain 'F' and (resid 0 through 15 )FF0 - 151 - 16
4343chain 'F' and (resid 16 through 104 )FF16 - 10417 - 103
4444chain 'F' and (resid 105 through 122 )FF105 - 122104 - 121
4545chain 'F' and (resid 123 through 138 )FF123 - 138122 - 133
4646chain 'F' and (resid 139 through 162 )FF139 - 162134 - 157
4747chain 'F' and (resid 163 through 180 )FF163 - 180158 - 175
4848chain 'F' and (resid 181 through 219 )FF181 - 219176 - 207
4949chain 'F' and (resid 220 through 232 )FF220 - 232208 - 220
5050chain 'G' and (resid 0 through 15 )GG0 - 151 - 16
5151chain 'G' and (resid 16 through 30 )GG16 - 3017 - 31
5252chain 'G' and (resid 31 through 104 )GG31 - 10432 - 105
5353chain 'G' and (resid 105 through 122 )GG105 - 122106 - 123
5454chain 'G' and (resid 123 through 138 )GG123 - 138124 - 139
5555chain 'G' and (resid 139 through 162 )GG139 - 162140 - 163
5656chain 'G' and (resid 163 through 180 )GG163 - 180164 - 181
5757chain 'G' and (resid 181 through 209 )GG181 - 209182 - 203
5858chain 'G' and (resid 210 through 232 )GG210 - 232204 - 226
5959chain 'H' and (resid 0 through 30 )HH0 - 301 - 31
6060chain 'H' and (resid 31 through 64 )HH31 - 6432 - 65
6161chain 'H' and (resid 65 through 81 )HH65 - 8166 - 82
6262chain 'H' and (resid 82 through 104 )HH82 - 10483 - 105
6363chain 'H' and (resid 105 through 122 )HH105 - 122106 - 123
6464chain 'H' and (resid 123 through 138 )HH123 - 138124 - 139
6565chain 'H' and (resid 139 through 162 )HH139 - 162140 - 163
6666chain 'H' and (resid 163 through 209 )HH163 - 209164 - 207
6767chain 'H' and (resid 210 through 234 )HH210 - 234208 - 232
6868chain 'I' and (resid 1 through 21 )II1 - 211 - 21
6969chain 'I' and (resid 22 through 39 )II22 - 3922 - 39
7070chain 'I' and (resid 40 through 104 )II40 - 10440 - 104
7171chain 'I' and (resid 105 through 122 )II105 - 122105 - 122
7272chain 'I' and (resid 123 through 162 )II123 - 162123 - 162
7373chain 'I' and (resid 163 through 180 )II163 - 180163 - 180
7474chain 'I' and (resid 181 through 209 )II181 - 209181 - 206
7575chain 'I' and (resid 210 through 232 )II210 - 232207 - 229
7676chain 'J' and (resid 0 through 15 )JJ0 - 151 - 16
7777chain 'J' and (resid 16 through 30 )JJ16 - 3017 - 31
7878chain 'J' and (resid 31 through 53 )JJ31 - 5332 - 54
7979chain 'J' and (resid 54 through 104 )JJ54 - 10455 - 105
8080chain 'J' and (resid 105 through 122 )JJ105 - 122106 - 123
8181chain 'J' and (resid 123 through 162 )JJ123 - 162124 - 161
8282chain 'J' and (resid 163 through 190 )JJ163 - 190162 - 189
8383chain 'J' and (resid 191 through 232 )JJ191 - 232190 - 231
8484chain 'K' and (resid 0 through 15 )KK0 - 151 - 16
8585chain 'K' and (resid 16 through 92 )KK16 - 9217 - 89
8686chain 'K' and (resid 93 through 122 )KK93 - 12290 - 119
8787chain 'K' and (resid 123 through 162 )KK123 - 162120 - 159
8888chain 'K' and (resid 163 through 180 )KK163 - 180160 - 177
8989chain 'K' and (resid 181 through 206 )KK181 - 206178 - 197
9090chain 'K' and (resid 207 through 232 )KK207 - 232198 - 223
9191chain 'L' and (resid 0 through 15 )LL0 - 151 - 16
9292chain 'L' and (resid 16 through 30 )LL16 - 3017 - 31
9393chain 'L' and (resid 31 through 64 )LL31 - 6432 - 65
9494chain 'L' and (resid 65 through 92 )LL65 - 9266 - 93
9595chain 'L' and (resid 93 through 127 )LL93 - 12794 - 128
9696chain 'L' and (resid 128 through 152 )LL128 - 152129 - 151
9797chain 'L' and (resid 153 through 171 )LL153 - 171152 - 170
9898chain 'L' and (resid 172 through 188 )LL172 - 188171 - 187
9999chain 'L' and (resid 189 through 219 )LL189 - 219188 - 210
100100chain 'L' and (resid 220 through 234 )LL220 - 234211 - 225
101101chain 'M' and (resid 0 through 15 )MM0 - 151 - 16
102102chain 'M' and (resid 16 through 30 )MM16 - 3017 - 31
103103chain 'M' and (resid 31 through 53 )MM31 - 5332 - 54
104104chain 'M' and (resid 54 through 92 )MM54 - 9255 - 93
105105chain 'M' and (resid 93 through 122 )MM93 - 12294 - 123
106106chain 'M' and (resid 123 through 143 )MM123 - 143124 - 144
107107chain 'M' and (resid 144 through 162 )MM144 - 162145 - 163
108108chain 'M' and (resid 163 through 180 )MM163 - 180164 - 181
109109chain 'M' and (resid 181 through 209 )MM181 - 209182 - 203
110110chain 'M' and (resid 210 through 232 )MM210 - 232204 - 226
111111chain 'N' and (resid 0 through 15 )NN0 - 151 - 16
112112chain 'N' and (resid 16 through 30 )NN16 - 3017 - 31
113113chain 'N' and (resid 31 through 64 )NN31 - 6432 - 65
114114chain 'N' and (resid 65 through 92 )NN65 - 9266 - 93
115115chain 'N' and (resid 93 through 133 )NN93 - 13394 - 134
116116chain 'N' and (resid 139 through 162 )NN139 - 162135 - 158
117117chain 'N' and (resid 163 through 209 )NN163 - 209159 - 201
118118chain 'N' and (resid 210 through 232 )NN210 - 232202 - 224
119119chain 'O' and (resid 0 through 15 )OO0 - 151 - 16
120120chain 'O' and (resid 16 through 30 )OO16 - 3017 - 31
121121chain 'O' and (resid 31 through 53 )OO31 - 5332 - 54
122122chain 'O' and (resid 54 through 104 )OO54 - 10455 - 105
123123chain 'O' and (resid 105 through 116 )OO105 - 116106 - 117
124124chain 'O' and (resid 117 through 127 )OO117 - 127118 - 128
125125chain 'O' and (resid 128 through 138 )OO128 - 138129 - 139
126126chain 'O' and (resid 139 through 162 )OO139 - 162140 - 163
127127chain 'O' and (resid 163 through 180 )OO163 - 180164 - 181
128128chain 'O' and (resid 181 through 209 )OO181 - 209182 - 202
129129chain 'O' and (resid 210 through 234 )OO210 - 234203 - 227
130130chain 'P' and (resid 0 through 15 )PP0 - 151 - 16
131131chain 'P' and (resid 16 through 30 )PP16 - 3017 - 31
132132chain 'P' and (resid 31 through 53 )PP31 - 5332 - 54
133133chain 'P' and (resid 54 through 104 )PP54 - 10455 - 105
134134chain 'P' and (resid 105 through 143 )PP105 - 143106 - 144
135135chain 'P' and (resid 144 through 162 )PP144 - 162145 - 163
136136chain 'P' and (resid 163 through 206 )PP163 - 206164 - 201
137137chain 'P' and (resid 207 through 233 )PP207 - 233202 - 228

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