A0A087XZT6_POEFO Loading...

Pseudouridylate synthase 7 homolog

Pseudouridylate synthase that catalyzes pseudouridylation of RNAs. Acts as a regulator of protein synthesis in embryonic stem cells by mediating pseudouridylation of RNA fragments derived from tRNAs (tRFs): pseudouridylated tRFs inhibit translation by targeting the translation initiation complex. Also catalyzes pseudouridylation of mRNAs: mediates pseudouridylation of mRNAs with the consensus sequence 5'-UGUAG-3'. Acts as a regulator of pre-mRNA splicing by mediating pseudouridylation of pre-mRNAs at locations associated with alternatively spliced regions. Pseudouridylation of pre-mRNAs near splice sites directly regulates mRNA splicing and mRNA 3'-end processing. In addition to mRNAs and tRNAs, binds other types of RNAs, such as snRNAs, Y RNAs and vault RNAs, suggesting that it can catalyze pseudouridylation of many RNA types.

AlphaFold DB , UniProt , Accession A0A087XZT6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 571 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1F30.8Very low50.6Low207 Ų20785 Ų8591%0.90845%0.451SS*.  0-33.90-87-94.7000113.8M4F1-M4 HydrophobicContact CB-CE 4.27Å; F1-M4 HydrophobicContact CB-SD 4.28Å; F1-M4 HydrophobicContact CD1-CE 3.19Å; F1-M4 HydrophobicContact CD1-SD 3.35Å; F1-M4 WeakPolarHBondContact CD1-SD 3.46Å; F1-M4 HydrophobicContact CD2-SD 4.36Å; F1-M4 HydrophobicContact CE1-CE 3.69Å; F1-M4 HydrophobicContact CE1-SD 3.59Å; F1-M4 VanDerWaalsContact CE1-SD 3.59Å; F1-M4 HydrophobicContact CG-CE 3.98Å; F1-M4 HydrophobicContact CG-SD 3.76Å; F1-M4 HydrophobicContact CZ-SD 4.2Å; F1-M4 WeakPolarHBondContact O-CB 3.2Å
2A26.8Very low53.4Low89 Ų8989.6 Ų89.674%0.73647%0.471SS*.  trans-80.4-44.3176.700000114.3M4 M5A2-M4 PolarHBondContact O-N 2.67Å; A2-M5 PolarHBondContact O-N 3.05Å
3D30Very low55.6Low116 Ų11689.5 Ų89.562%0.6247%0.471SS*.G310 helixtrans-73.4-10.1170.9-81.3-36.8000113.5M5 K6D3-M5 PolarHBondContact O-N 2.8Å; D3-K6 IonicContact OD1-NZ 2.74Å; D3-K6 PolarHBondContact OD1-NZ 3.11Å
4M38.2Very low57.8Low75 Ų7583.1 Ų83.137%0.36944%0.437SS..G310 helixtrans-62-19.4173.7-164.3-177.769.600113.2F1 A2F1-M4 HydrophobicContact CB-CE 4.27Å; F1-M4 HydrophobicContact CB-SD 4.28Å; F1-M4 HydrophobicContact CD1-CE 3.19Å; F1-M4 HydrophobicContact CD1-SD 3.35Å; F1-M4 WeakPolarHBondContact CD1-SD 3.46Å; F1-M4 HydrophobicContact CD2-SD 4.36Å; F1-M4 HydrophobicContact CE1-CE 3.69Å; F1-M4 HydrophobicContact CE1-SD 3.59Å; F1-M4 VanDerWaalsContact CE1-SD 3.59Å; F1-M4 HydrophobicContact CG-CE 3.98Å; F1-M4 HydrophobicContact CG-SD 3.76Å; F1-M4 HydrophobicContact CZ-SD 4.2Å; F1-M4 WeakPolarHBondContact O-CB 3.2Å; A2-M4 PolarHBondContact O-N 2.67Å
5M41.4Very low59.6Low47 Ų4777.9 Ų77.923%0.23241%0.412CS..G310 helixtrans-107.3-3.3-165.1-65.7-105.9-96.600113.8A2 D3 K560 T563 Q564A2-M5 PolarHBondContact O-N 3.05Å; D3-M5 PolarHBondContact O-N 2.8Å; M5-K560 WeakPolarHBondContact O-CE 3.32Å; M5-T563 HydrophobicContact CE-CG2 4.48Å; M5-T563 HydrophobicContact SD-CG2 4.01Å; M5-Q564 HydrophobicContact CE-CG 4.08Å
6K41.7Very low61.6Low135 Ų13573.1 Ų73.159%0.58739%0.386SS*.SBendtrans-83.2-27.1-175.9-80.2176.8-178158.50114.5D3D3-K6 IonicContact OD1-NZ 2.74Å; D3-K6 PolarHBondContact OD1-NZ 3.11Å
7H52.3Low63.2Low142 Ų14273.4 Ų73.466%0.65739%0.388SS*.SBendtrans-116.331.5-167.7-59.9-65.2000115.7
8G59.2Low64.7Low36 Ų3672.4 Ų72.437%0.37138%0.38SS..PPolyproline II helixtrans-79.5141.9172.800000112.2T10G8-T10 PolarHBondContact O-N 3.12Å
9L71.4Confident66.1Low49 Ų4972.1 Ų72.126%0.25737%0.373SS..PPolyproline II helixtrans-61.6130.5172.8-158.274000109.5D13 V14 M287 F290L9-D13 HydrophobicContact CD1-CB 3.78Å; L9-D13 HydrophobicContact CG-CB 4.14Å; L9-V14 HydrophobicContact CD2-CG1 3.5Å; L9-V14 VanDerWaalsContact CD2-CG1 3.5Å; L9-V14 HydrophobicContact CG-CG1 4.05Å; L9-M287 HydrophobicContact CB-CE 3.98Å; L9-M287 HydrophobicContact CD2-CE 4.1Å; L9-M287 HydrophobicContact CG-CE 4.11Å; L9-M287 WeakPolarHBondContact O-CE 3.38Å; L9-F290 HydrophobicContact CD2-CB 3.96Å
10T79.9Confident67.1Low31 Ų3169.2 Ų69.219%0.1936%0.359CS..PPolyproline II helixtrans-100.5164.8178.5660000111.2G8 M12 D13G8-T10 PolarHBondContact O-N 3.12Å; T10-M12 PolarHBondContact O-N 2.73Å; T10-D13 PolarHBondContact N-OD2 3.28Å; T10-D13 PolarHBondContact O-N 2.85Å; T10-D13 PolarHBondContact OG1-N 2.73Å; T10-D13 PolarHBondContact OG1-OD2 3.22Å
11E84.5Confident68Low8 Ų866.4 Ų66.44%0.03735%0.346CS..THydrogen-bonded Turntrans-58.9-34173-83.6177.6179.500112.8D13 V14 G15 I16 M287 R550 D556 T557E11-D13 VanDerWaalsContact C-N 3.34Å; E11-D13 PolarHBondContact O-N 3.13Å; E11-V14 VanDerWaalsContact O-CG2 3.28Å; E11-V14 WeakPolarHBondContact O-CG2 3.5Å; E11-V14 PolarHBondContact O-N 2.87Å; E11-G15 PolarHBondContact O-N 2.95Å; E11-I16 HydrophobicContact CB-CB 3.93Å; E11-I16 HydrophobicContact CB-CG2 4.24Å; E11-I16 HydrophobicContact CG-CB 4.19Å; E11-I16 HydrophobicContact CG-CD1 4.15Å; E11-I16 HydrophobicContact CG-CG2 4.18Å; E11-I16 PolarHBondContact O-N 3.41Å; E11-M287 HydrophobicContact CG-CG 4.35Å; E11-M287 HydrophobicContact CG-SD 4.1Å; E11-R550 VanDerWaalsContact CD-NE 3.31Å; E11-R550 WeakPolarHBondContact OE1-CD 3.34Å; E11-R550 IonicContact OE1-NE 3.71Å; E11-R550 PolarHBondContact OE1-NE 3.38Å; E11-R550 IonicContact OE2-CZ 2.84Å; E11-R550 IonicContact OE2-NE 3.41Å; E11-R550 PolarHBondContact OE2-NE 3.14Å; E11-R550 IonicContact OE2-NH2 2.95Å; E11-R550 PolarHBondContact OE2-NH2 3.44Å; E11-D556 WeakPolarHBondContact CG-OD1 3.33Å; E11-T557 WeakPolarHBondContact OE1-CB 3.45Å; E11-T557 PolarHBondContact OE1-N 2.94Å; E11-T557 PolarHBondContact OE1-OG1 3.02Å
12M84.4Confident70.5Confident140 Ų14064.2 Ų64.269%0.6934%0.343SS*.G310 helixtrans-64.1-38.8177.2-64.7-178.36700112.1T10 V14 G15 L17T10-M12 PolarHBondContact O-N 2.73Å; M12-V14 PolarHBondContact O-N 3.41Å; M12-V14 VanDerWaalsContact O-N 3.15Å; M12-G15 PolarHBondContact O-N 3.12Å; M12-L17 HydrophobicContact CB-CD2 4.06Å; M12-L17 HydrophobicContact CG-CD2 3.83Å
13D82.8Confident73.2Confident88 Ų8860.2 Ų60.247%0.47131%0.309SS..G310 helixtrans-65.3-18179.8-58.5-44.2000113.1L9 T10 E11L9-D13 HydrophobicContact CD1-CB 3.78Å; L9-D13 HydrophobicContact CG-CB 4.14Å; T10-D13 PolarHBondContact N-OD2 3.28Å; T10-D13 PolarHBondContact O-N 2.85Å; T10-D13 PolarHBondContact OG1-N 2.73Å; T10-D13 PolarHBondContact OG1-OD2 3.22Å; E11-D13 VanDerWaalsContact C-N 3.34Å; E11-D13 PolarHBondContact O-N 3.13Å
14V85.4Confident75.8Confident0 Ų061.5 Ų61.50%031%0.312CS..G310 helixtrans-116.516.3-178.3-61.20000113L9 E11 M12 I16 M287 F290 N395L9-V14 HydrophobicContact CD2-CG1 3.5Å; L9-V14 VanDerWaalsContact CD2-CG1 3.5Å; L9-V14 HydrophobicContact CG-CG1 4.05Å; E11-V14 VanDerWaalsContact O-CG2 3.28Å; E11-V14 WeakPolarHBondContact O-CG2 3.5Å; E11-V14 PolarHBondContact O-N 2.87Å; M12-V14 PolarHBondContact O-N 3.41Å; M12-V14 VanDerWaalsContact O-N 3.15Å; V14-I16 HydrophobicContact CG2-CD1 3.61Å; V14-I16 HydrophobicContact CG2-CG1 3.92Å; V14-I16 PolarHBondContact O-N 3.22Å; V14-M287 HydrophobicContact CG2-CE 4.47Å; V14-M287 HydrophobicContact CG2-SD 3.57Å; V14-M287 VanDerWaalsContact CG2-SD 3.57Å; V14-F290 HydrophobicContact CB-CD2 3.78Å; V14-F290 HydrophobicContact CB-CE2 3.61Å; V14-F290 HydrophobicContact CB-CG 4.36Å; V14-F290 HydrophobicContact CB-CZ 4.09Å; V14-F290 HydrophobicContact CG1-CB 4.29Å; V14-F290 HydrophobicContact CG1-CD1 4.36Å; V14-F290 HydrophobicContact CG1-CD2 3.61Å; V14-F290 HydrophobicContact CG1-CE2 3.98Å; V14-F290 HydrophobicContact CG1-CG 3.81Å; V14-F290 HydrophobicContact CG2-CD2 3.95Å; V14-F290 HydrophobicContact CG2-CE2 3.8Å; V14-N395 WeakPolarHBondContact O-CB 3.4Å; V14-N395 PolarHBondContact O-ND2 2.94Å; V14-N395 VanDerWaalsContact O-ND2 3.12Å
15G85.6Confident78Confident5 Ų560.1 Ų60.15%0.05232%0.316CS..THydrogen-bonded Turntrans73.822.4172.900000114.9E11 M12 N395 S399E11-G15 PolarHBondContact O-N 2.95Å; M12-G15 PolarHBondContact O-N 3.12Å; G15-N395 CarbonylContact O-C 3.53Å; G15-N395 VanDerWaalsContact O-O 3.08Å; G15-S399 PolarHBondContact O-OG 2.8Å
16I90.6Very high80.1Confident1 Ų158 Ų581%0.00531%0.306CS..  trans-95.593.3175.9-58.1167.8000108E11 V14 Y284 Y285 M287 N395 M547E11-I16 HydrophobicContact CB-CB 3.93Å; E11-I16 HydrophobicContact CB-CG2 4.24Å; E11-I16 HydrophobicContact CG-CB 4.19Å; E11-I16 HydrophobicContact CG-CD1 4.15Å; E11-I16 HydrophobicContact CG-CG2 4.18Å; E11-I16 PolarHBondContact O-N 3.41Å; V14-I16 HydrophobicContact CG2-CD1 3.61Å; V14-I16 HydrophobicContact CG2-CG1 3.92Å; V14-I16 PolarHBondContact O-N 3.22Å; I16-Y284 HydrophobicContact CG1-CD1 4.27Å; I16-Y284 HydrophobicContact CG1-CG 4.12Å; I16-Y284 HydrophobicContact CG2-CD2 3.83Å; I16-Y284 HydrophobicContact CG2-CE2 4.15Å; I16-Y284 HydrophobicContact CG2-CG 4.14Å; I16-Y285 WeakPolarHBondContact CD1-O 3.32Å; I16-M287 HydrophobicContact CD1-SD 4.34Å; I16-N395 WeakPolarHBondContact CG1-ND2 3.42Å; I16-M547 HydrophobicContact CD1-SD 4.18Å; I16-M547 HydrophobicContact CG2-SD 4.43Å
17L88.6Confident82Confident78 Ų7853.2 Ų53.241%0.40829%0.29SS..  trans-119.5-38.6-168.5-59.9176000113.8M12 S399M12-L17 HydrophobicContact CB-CD2 4.06Å; M12-L17 HydrophobicContact CG-CD2 3.83Å; L17-S399 PolarHBondContact N-OG 3.5Å
18K91.4Very high83.3Confident57 Ų5746.7 Ų46.725%0.24826%0.26CS..  trans-98164.4-169.9-54.8-59.8-178.7172.60113I282 I402 E403 R550K18-I282 HydrophobicContact CB-CD1 3.95Å; K18-I402 HydrophobicContact CB-CG2 4.1Å; K18-I402 HydrophobicContact CG-CB 4.5Å; K18-I402 HydrophobicContact CG-CG2 4.37Å; K18-E403 IonicContact NZ-OE1 2.66Å; K18-E403 PolarHBondContact NZ-OE1 3.23Å; K18-E403 IonicContact NZ-OE2 3.67Å; K18-R550 PolarHBondContact O-NH1 2.81Å
19Y90.4Very high84.2Confident66 Ų6645.1 Ų45.126%0.25924%0.244SC..  trans-128163.2174.4-66.8-83.1000108.9R550 E551 K554Y19-R550 VanDerWaalsContact CD1-NH1 3.32Å; Y19-R550 HydrophobicContact CE1-CG 3.96Å; Y19-R550 WeakPolarHBondContact CE1-O 3.38Å; Y19-R550 VanDerWaalsContact CZ-NH2 3.26Å; Y19-R550 PolarHBondContact OH-NH2 2.78Å; Y19-E551 WeakPolarHBondContact CA-OE2 3.44Å; Y19-K554 HydrophobicContact CD1-CB 4.47Å; Y19-K554 HydrophobicContact CD1-CG 4.02Å; Y19-K554 HydrophobicContact CE1-CB 4.05Å; Y19-K554 HydrophobicContact CE1-CG 4.09Å; Y19-K554 HydrophobicContact CG-CG 4.41Å; Y19-K554 PolarHBondContact OH-O 2.89Å
20V87.5Confident84.6Confident13 Ų1343.2 Ų43.28%0.07923%0.233CC..SBendtrans-90.4-46.6177.2179.20000111.1T279 I282 L407 E551V20-T279 HydrophobicContact CG1-CG2 3.42Å; V20-T279 VanDerWaalsContact CG1-CG2 3.42Å; V20-I282 HydrophobicContact CG2-CD1 4.29Å; V20-I282 HydrophobicContact CG2-CG1 3.64Å; V20-L407 HydrophobicContact CG1-CD1 3.73Å; V20-L407 HydrophobicContact CG1-CD2 4.38Å; V20-E551 WeakPolarHBondContact CA-OE1 3.37Å; V20-E551 WeakPolarHBondContact CB-OE1 3.39Å; V20-E551 VanDerWaalsContact N-CD 3.31Å; V20-E551 PolarHBondContact N-OE1 3.43Å; V20-E551 PolarHBondContact N-OE2 3.01Å
21S85.2Confident84.4Confident12 Ų1242.8 Ų42.88%0.08423%0.229CC..  trans-89.3152.9-173.3-165.60000111H23 S275 E551 K554S21-H23 WeakPolarHBondContact CB-ND1 3.39Å; S21-H23 PolarHBondContact OG-ND1 2.79Å; S21-S275 VanDerWaalsContact CB-OG 3.23Å; S21-S275 WeakPolarHBondContact CB-OG 3.38Å; S21-S275 WeakPolarHBondContact OG-CB 3.33Å; S21-S275 PolarHBondContact OG-OG 2.81Å; S21-E551 WeakPolarHBondContact CB-OE1 3.31Å; S21-E551 PolarHBondContact N-OE1 3.37Å; S21-K554 WeakPolarHBondContact O-CE 3.04Å; S21-K554 PolarHBondContact O-NZ 3.41Å
22D82.9Confident84Confident160 Ų16044.1 Ų44.186%0.85624%0.235SC*.  trans-99.53.3177.1-66.5-37.9000113.6K554D22-K554 VanDerWaalsContact C-NZ 3.25Å
23H84.6Confident83.8Confident6 Ų641.4 Ų41.43%0.02822%0.217CC..SBendtrans-60.1158.7179.671.6-86.6000113.6S21 Q271 E551 V552 K554S21-H23 WeakPolarHBondContact CB-ND1 3.39Å; S21-H23 PolarHBondContact OG-ND1 2.79Å; H23-Q271 HydrophobicContact CB-CG 4.13Å; H23-E551 PolarHBondContact CE1-O 3.13Å; H23-V552 PolarHBondContact NE2-O 3.15Å; H23-V552 VanDerWaalsContact NE2-O 3.16Å; H23-K554 WeakPolarHBondContact O-CD 3.07Å; H23-K554 WeakPolarHBondContact O-CE 3.22Å; H23-K554 PolarHBondContact O-NZ 2.91Å
24E83.9Confident83.8Confident143 Ų14341.1 Ų41.167%0.66821%0.21SC*.PPolyproline II helixtrans-74.7129.8174-69.8-171.2160.600111.6Q268E24-Q268 PolarHBondContact OE2-NE2 2.93Å
25G83.8Confident83.8Confident45 Ų4541.6 Ų41.646%0.46421%0.214SC..PPolyproline II helixtrans-65.9148.2178.900000112.8L553G25-L553 WeakPolarHBondContact CA-O 3.48Å
26F85.3Confident83.8Confident3 Ų341.6 Ų41.61%0.01321%0.212CC..  trans-130.2156175.762.1-89.5000111.9I262 V269 A272 L533 V552 L553F26-I262 HydrophobicContact CD2-CB 4.44Å; F26-I262 HydrophobicContact CE2-CG2 4.34Å; F26-V269 HydrophobicContact CE1-CG2 4.29Å; F26-V269 HydrophobicContact CE2-CG2 4.22Å; F26-V269 HydrophobicContact CZ-CG2 3.94Å; F26-A272 HydrophobicContact CE1-CB 4.1Å; F26-L533 HydrophobicContact CE2-CD2 4.38Å; F26-L533 HydrophobicContact CZ-CD2 4.1Å; F26-V552 HydrophobicContact CE1-CG1 4.15Å; F26-V552 WeakPolarHBondContact CE1-O 3.39Å; F26-V552 HydrophobicContact CZ-CG1 3.71Å; F26-L553 HydrophobicContact CD2-CD2 3.68Å; F26-L553 HydrophobicContact CE2-CD2 3.31Å; F26-L553 HydrophobicContact CG-CD2 4.48Å; F26-L553 HydrophobicContact CZ-CD2 3.84Å; F26-L553 PolarHBondContact N-O 2.9Å; F26-L553 VanDerWaalsContact N-O 3.17Å; F26-L553 VanDerWaalsContact O-O 3.11Å
27S82.6Confident83.8Confident35 Ų3541.6 Ų41.625%0.24521%0.212CC..  trans-88.8142.3-176.9-1750000112.6I262 S263S27-I262 WeakPolarHBondContact O-CA 3.42Å; S27-S263 PolarHBondContact N-OG 2.78Å; S27-S263 PolarHBondContact O-N 3.43Å; S27-S263 VanDerWaalsContact O-N 3.15Å
28G78.8Confident84Confident4 Ų438 Ų384%0.04119%0.194CC..  trans-164.2154.9173.400000111
29I78.8Confident84.2Confident4 Ų435.4 Ų35.42%0.02118%0.182CC..BIsolated β-bridgetrans-97.4129.6-179.3-55.6-175.1000109.5E32 S259 R260 N566I29-E32 HydrophobicContact CG2-CB 4.09Å; I29-S259 WeakPolarHBondContact CB-O 3.24Å; I29-S259 PolarHBondContact N-O 2.97Å; I29-S259 PolarHBondContact O-N 3.15Å; I29-R260 HydrophobicContact CD1-CB 3.81Å; I29-R260 HydrophobicContact CD1-CG 4.18Å; I29-R260 HydrophobicContact CG1-CB 4.26Å; I29-N566 WeakPolarHBondContact CG2-OD1 3.5Å
30L80.1Confident84.4Confident8 Ų832.7 Ų32.74%0.04217%0.172CC..  trans-102.4141.5176.8-179.462.5000111.2E32 F37 V256 T546 I549L30-E32 PolarHBondContact O-N 2.76Å; L30-F37 HydrophobicContact CD1-CD2 4.15Å; L30-V256 HydrophobicContact CD1-CG1 3.71Å; L30-T546 HydrophobicContact CD2-CG2 4.04Å; L30-I549 HydrophobicContact CD1-CD1 3.79Å; L30-I549 HydrophobicContact CD2-CD1 3.93Å; L30-I549 HydrophobicContact CD2-CG2 4.34Å
31K75.7Confident84.8Confident23 Ų2332 Ų3210%0.117%0.168CC..SBendtrans54.735173.7-72.2179.5-179.7-164.90112.7R33 F37 D203 R205K31-R33 VanDerWaalsContact C-N 3.32Å; K31-R33 CarbonylContact C-O 3.58Å; K31-R33 PolarHBondContact O-N 3.43Å; K31-F37 HydrophobicContact CD-CD2 4.33Å; K31-F37 HydrophobicContact CD-CG 4.4Å; K31-F37 VanDerWaalsContact CE-CG 3.47Å; K31-F37 HydrophobicContact CG-CB 3.92Å; K31-F37 HydrophobicContact CG-CD2 3.95Å; K31-F37 HydrophobicContact CG-CG 4.07Å; K31-D203 IonicContact NZ-OD1 3.39Å; K31-D203 PolarHBondContact NZ-OD1 3.19Å; K31-R205 PolarHBondContact O-NE 3.14Å; K31-R205 PolarHBondContact O-NH2 3.04Å
32E75.7Confident85.2Confident35 Ų3532.4 Ų32.416%0.16417%0.169CC..SBendtrans-53.6-56.2172.5-175.8-175.7179.100108.9I29 L30 R205 S259 R260I29-E32 HydrophobicContact CG2-CB 4.09Å; L30-E32 PolarHBondContact O-N 2.76Å; E32-R205 PolarHBondContact O-NH2 3.31Å; E32-S259 PolarHBondContact OE2-OG 3.49Å; E32-R260 VanDerWaalsContact CD-NE 3.3Å; E32-R260 IonicContact OE1-CZ 3.34Å; E32-R260 IonicContact OE1-NE 2.86Å; E32-R260 PolarHBondContact OE1-NE 2.98Å; E32-R260 IonicContact OE1-NH2 2.73Å; E32-R260 PolarHBondContact OE1-NH2 3.23Å; E32-R260 WeakPolarHBondContact OE2-CG 3.4Å; E32-R260 IonicContact OE2-NE 3.64Å; E32-R260 PolarHBondContact OE2-NE 3.34Å
33R79.3Confident85.6Confident84 Ų8425.5 Ų25.532%0.31713%0.132SC..SBendtrans-104156.8167.7-48.6-177.675.5-153.96.4109.7K31 S35 D36 R505 I506K31-R33 VanDerWaalsContact C-N 3.32Å; K31-R33 CarbonylContact C-O 3.58Å; K31-R33 PolarHBondContact O-N 3.43Å; R33-S35 VanDerWaalsContact CB-OG 3.32Å; R33-S35 WeakPolarHBondContact CB-OG 3.28Å; R33-S35 PolarHBondContact O-N 3.18Å; R33-D36 VanDerWaalsContact CB-OD2 3.31Å; R33-D36 WeakPolarHBondContact CB-OD2 3.28Å; R33-D36 PolarHBondContact N-OD2 2.79Å; R33-D36 PolarHBondContact O-N 3.14Å; R33-R505 PolarHBondContact NH1-O 3.14Å; R33-R505 PolarHBondContact NH2-O 3.42Å; R33-I506 PolarHBondContact NH1-O 2.85Å
34Y83.7Confident85.8Confident82 Ų8230.9 Ų30.932%0.32216%0.155SC..G310 helixtrans-72.5-20.517460.1-96.6000112.1D36 E174 N175 A206 I207Y34-D36 VanDerWaalsContact C-N 3.28Å; Y34-E174 HydrophobicContact CD2-CB 4.33Å; Y34-E174 HydrophobicContact CE2-CB 4.02Å; Y34-E174 HydrophobicContact CE2-CG 4.49Å; Y34-N175 HydrophobicContact CD1-CB 4.29Å; Y34-N175 HydrophobicContact CG-CB 4.24Å; Y34-A206 CarbonylContact O-C 3.52Å; Y34-A206 WeakPolarHBondContact O-CA 3.4Å; Y34-I207 HydrophobicContact CD2-CD1 4.49Å; Y34-I207 HydrophobicContact CD2-CG1 3.91Å; Y34-I207 HydrophobicContact CE2-CG1 4.31Å; Y34-I207 PolarHBondContact O-N 3.24Å
35S85.3Confident86Confident10 Ų1030.1 Ų30.17%0.0715%0.152CC..G310 helixtrans-69.3-23.5174.9500000113.6R33 F37 V38R33-S35 VanDerWaalsContact CB-OG 3.32Å; R33-S35 WeakPolarHBondContact CB-OG 3.28Å; R33-S35 PolarHBondContact O-N 3.18Å; S35-F37 PolarHBondContact O-N 3.41Å; S35-V38 WeakPolarHBondContact O-CG2 3.31Å
36D86.1Confident86.1Confident4 Ų429.7 Ų29.72%0.02115%0.147CC..G310 helixtrans-78.4-3.9-178.1-51-23.1000112R33 Y34 V256 V257R33-D36 VanDerWaalsContact CB-OD2 3.31Å; R33-D36 WeakPolarHBondContact CB-OD2 3.28Å; R33-D36 PolarHBondContact N-OD2 2.79Å; R33-D36 PolarHBondContact O-N 3.14Å; Y34-D36 VanDerWaalsContact C-N 3.28Å; D36-V256 CarbonylContact O-C 3.53Å; D36-V256 WeakPolarHBondContact O-CA 3.46Å; D36-V257 HydrophobicContact CB-CB 4.09Å; D36-V257 PolarHBondContact O-N 3.24Å
37F90.1Very high86.4Confident2 Ų235.9 Ų35.91%0.00917%0.174CC..EExtended strand (participates in β ladder)trans-132.894.8180-162.3-82.9000108.7L30 K31 S35 V39 A206 I207 F254 V256 A545 I549L30-F37 HydrophobicContact CD1-CD2 4.15Å; K31-F37 HydrophobicContact CD-CD2 4.33Å; K31-F37 HydrophobicContact CD-CG 4.4Å; K31-F37 VanDerWaalsContact CE-CG 3.47Å; K31-F37 HydrophobicContact CG-CB 3.92Å; K31-F37 HydrophobicContact CG-CD2 3.95Å; K31-F37 HydrophobicContact CG-CG 4.07Å; S35-F37 PolarHBondContact O-N 3.41Å; F37-V39 HydrophobicContact CD1-CG2 3.73Å; F37-V39 HydrophobicContact CE1-CG2 3.49Å; F37-V39 VanDerWaalsContact CE1-CG2 3.49Å; F37-A206 HydrophobicContact CB-CB 4.49Å; F37-A206 HydrophobicContact CD1-CB 3.7Å; F37-A206 VanDerWaalsContact O-CA 3.29Å; F37-A206 WeakPolarHBondContact O-CA 3.36Å; F37-A206 VanDerWaalsContact O-CB 3.26Å; F37-A206 WeakPolarHBondContact O-CB 3.37Å; F37-I207 PolarHBondContact O-N 3.34Å; F37-F254 HydrophobicContact CE1-CD1 4.01Å; F37-F254 HydrophobicContact CE1-CE1 4.07Å; F37-F254 AromaticContact CZ-CD1 3.92Å; F37-F254 HydrophobicContact CZ-CD1 3.92Å; F37-F254 HydrophobicContact CZ-CE1 4.05Å; F37-V256 HydrophobicContact CD2-CG1 4.06Å; F37-V256 HydrophobicContact CD2-CG2 3.84Å; F37-V256 HydrophobicContact CE2-CG1 4.45Å; F37-V256 HydrophobicContact CE2-CG2 3.8Å; F37-A545 HydrophobicContact CE2-CB 4.42Å; F37-A545 HydrophobicContact CZ-CB 3.96Å; F37-I549 HydrophobicContact CE2-CD1 4.11Å
38V93.1Very high86.9Confident3 Ų336.5 Ų36.52%0.01817%0.174CC..EExtended strand (participates in β ladder)trans-105.1135-179.7-1690000109.7S35 H40 I207 F254 T255 V509S35-V38 WeakPolarHBondContact O-CG2 3.31Å; V38-H40 WeakPolarHBondContact CG1-CE1 3.27Å; V38-I207 CarbonylContact C-O 3.6Å; V38-I207 VanDerWaalsContact CA-O 3.26Å; V38-I207 WeakPolarHBondContact CA-O 3.37Å; V38-I207 HydrophobicContact CG1-CB 4.28Å; V38-I207 HydrophobicContact CG1-CG2 4.2Å; V38-I207 HydrophobicContact CG2-CB 4.22Å; V38-F254 WeakPolarHBondContact O-CA 3.37Å; V38-T255 PolarHBondContact N-O 3.02Å; V38-T255 PolarHBondContact O-N 3.43Å; V38-V509 HydrophobicContact CG2-CB 4.26Å; V38-V509 HydrophobicContact CG2-CG1 3.73Å; V38-V509 HydrophobicContact CG2-CG2 4.49Å
39V94.7Very high87.5Confident2 Ų237 Ų371%0.01218%0.176CC..EExtended strand (participates in β ladder)trans-129.8120.2-178.2-169.70000110F37 A206 I207 T208 V209 N252 H253 F254F37-V39 HydrophobicContact CD1-CG2 3.73Å; F37-V39 HydrophobicContact CE1-CG2 3.49Å; F37-V39 VanDerWaalsContact CE1-CG2 3.49Å; V39-A206 HydrophobicContact CG2-CB 4.46Å; V39-I207 PolarHBondContact N-O 2.94Å; V39-T208 HydrophobicContact CB-CG2 3.96Å; V39-T208 HydrophobicContact CG2-CG2 4.1Å; V39-T208 CarbonylContact O-C 3.59Å; V39-T208 WeakPolarHBondContact O-CA 3.28Å; V39-V209 PolarHBondContact O-N 2.85Å; V39-N252 HydrophobicContact CG1-CB 3.81Å; V39-H253 WeakPolarHBondContact CA-O 3.4Å; V39-F254 HydrophobicContact CB-CD1 4.43Å; V39-F254 HydrophobicContact CB-CE1 4.37Å; V39-F254 HydrophobicContact CG1-CD1 4.14Å; V39-F254 HydrophobicContact CG1-CE1 3.77Å; V39-F254 HydrophobicContact CG1-CZ 4.19Å; V39-F254 HydrophobicContact CG2-CD1 3.77Å; V39-F254 HydrophobicContact CG2-CE1 3.74Å
40H95.6Very high88.2Confident8 Ų840 Ų404%0.03719%0.19CC..EExtended strand (participates in β ladder)trans-110129.1171.9-60.785.6000109.7V38 I48 V49 H50 N252 H253 D512V38-H40 WeakPolarHBondContact CG1-CE1 3.27Å; H40-I48 HydrophobicContact CB-CG2 3.44Å; H40-I48 VanDerWaalsContact CB-CG2 3.44Å; H40-V49 PolarHBondContact CD2-O 2.89Å; H40-V49 VanDerWaalsContact CD2-O 3.31Å; H40-H50 AromaticContact CD2-CE1 3.47Å; H40-H50 PolarHBondContact CD2-CE1 3.47Å; H40-H50 VanDerWaalsContact CD2-CE1 3.47Å; H40-H50 AromaticContact CD2-ND1 3.25Å; H40-H50 PolarHBondContact CD2-ND1 3.34Å; H40-H50 AromaticContact CE1-CE1 3.98Å; H40-H50 AromaticContact CG-CE1 3.87Å; H40-H50 AromaticContact NE2-CE1 3.56Å; H40-H50 AromaticContact NE2-ND1 3.28Å; H40-H50 PolarHBondContact NE2-ND1 3.34Å; H40-N252 CarbonylContact O-C 3.59Å; H40-N252 WeakPolarHBondContact O-CA 2.95Å; H40-H253 HydrophobicContact CB-CB 4.41Å; H40-H253 PolarHBondContact N-O 2.97Å; H40-H253 PolarHBondContact O-N 3.36Å; H40-D512 IonicContact CD2-OD2 3.76Å; H40-D512 PolarHBondContact CD2-OD2 3.39Å; H40-D512 IonicContact CE1-OD1 3.32Å; H40-D512 VanDerWaalsContact NE2-CG 3.34Å; H40-D512 IonicContact NE2-OD1 3.28Å; H40-D512 PolarHBondContact NE2-OD1 2.95Å; H40-D512 IonicContact NE2-OD2 3.27Å; H40-D512 PolarHBondContact NE2-OD2 2.81Å; H40-D512 VanDerWaalsContact NE2-OD2 3.09Å
41E95.3Very high88.7Confident0 Ų039.9 Ų39.90%019%0.189CC..EExtended strand (participates in β ladder)trans-70.3139.7176.5-174.9167.6-115.600111.2V49 M199 K202 V209 Q210 E211 L249E41-V49 HydrophobicContact CB-CG2 4.39Å; E41-V49 WeakPolarHBondContact O-CG2 3.47Å; E41-V49 PolarHBondContact O-N 3.3Å; E41-M199 HydrophobicContact CG-CE 4.26Å; E41-M199 VanDerWaalsContact OE2-CE 3.32Å; E41-M199 WeakPolarHBondContact OE2-CE 3.24Å; E41-K202 WeakPolarHBondContact OE1-CE 3.33Å; E41-K202 IonicContact OE1-NZ 2.93Å; E41-K202 PolarHBondContact OE1-NZ 2.81Å; E41-V209 PolarHBondContact N-O 3Å; E41-Q210 HydrophobicContact CB-CB 4.16Å; E41-E211 PolarHBondContact OE2-N 2.72Å; E41-L249 HydrophobicContact CG-CB 4.33Å
42I94.8Very high89.3Confident19 Ų1943.4 Ų43.410%0.09721%0.209CC..EExtended strand (participates in β ladder)trans-98.1114.1169.8-52.5174.9000107.3I48 Q250 G251 H253I42-I48 HydrophobicContact CG1-CG1 4.36Å; I42-Q250 HydrophobicContact CB-CB 4.47Å; I42-Q250 HydrophobicContact CG2-CB 3.99Å; I42-Q250 PolarHBondContact O-N 3.37Å; I42-Q250 VanDerWaalsContact O-N 3.15Å; I42-G251 WeakPolarHBondContact CB-O 3.34Å; I42-G251 PolarHBondContact N-O 3.18Å; I42-H253 HydrophobicContact CG1-CB 4.48Å
43N90.2Very high89.9Confident16 Ų1645 Ų459%0.08622%0.219CC..  trans-70.4177.2-175.474.110.3000112.5Q45 G46 K47 V49 M199 Q250N43-Q45 PolarHBondContact ND2-OE1 2.85Å; N43-Q45 PolarHBondContact O-N 3.43Å; N43-Q45 VanDerWaalsContact O-N 3.15Å; N43-Q45 WeakPolarHBondContact OD1-CA 3.48Å; N43-Q45 WeakPolarHBondContact OD1-CB 3.47Å; N43-Q45 PolarHBondContact OD1-N 3.18Å; N43-Q45 PolarHBondContact OD1-OE1 2.88Å; N43-G46 PolarHBondContact O-N 3.3Å; N43-G46 PolarHBondContact OD1-N 3.28Å; N43-K47 PolarHBondContact N-O 3.27Å; N43-K47 PolarHBondContact OD1-N 2.96Å; N43-K47 PolarHBondContact OD1-O 2.84Å; N43-V49 HydrophobicContact CB-CG2 4.16Å; N43-M199 HydrophobicContact CB-CE 4.31Å; N43-Q250 WeakPolarHBondContact O-CG 3.4Å
44K89Confident90.3Very high118 Ų11844.8 Ų44.851%0.51322%0.224SC..THydrogen-bonded Turntrans-58.6-27.6179.7-174.6175.3-178.9173.70113.3G46 E248 Q250K44-G46 VanDerWaalsContact C-N 3.34Å; K44-E248 IonicContact NZ-OE1 3.12Å; K44-Q250 PolarHBondContact O-NE2 3.14Å
45Q87.7Confident90.3Very high128 Ų12843.9 Ų43.960%0.59823%0.229SC*.THydrogen-bonded Turntrans-85.9-1.4178.2-63.577.519.100113.4N43 K47N43-Q45 PolarHBondContact ND2-OE1 2.85Å; N43-Q45 PolarHBondContact O-N 3.43Å; N43-Q45 VanDerWaalsContact O-N 3.15Å; N43-Q45 WeakPolarHBondContact OD1-CA 3.48Å; N43-Q45 WeakPolarHBondContact OD1-CB 3.47Å; N43-Q45 PolarHBondContact OD1-N 3.18Å; N43-Q45 PolarHBondContact OD1-OE1 2.88Å; Q45-K47 VanDerWaalsContact C-N 3.34Å
46G86.4Confident90.2Very high35 Ų3547.2 Ų47.236%0.36125%0.245SC..SBendtrans82.76.7-177.700000114.3N43 K44N43-G46 PolarHBondContact O-N 3.3Å; N43-G46 PolarHBondContact OD1-N 3.28Å; K44-G46 VanDerWaalsContact C-N 3.34Å
47K90.8Very high89.9Confident133 Ų13348.5 Ų48.558%0.57825%0.254SS*.  trans-83.9132.1175.5-174.4-179178.1-1770110.1N43 Q45 V49N43-K47 PolarHBondContact N-O 3.27Å; N43-K47 PolarHBondContact OD1-N 2.96Å; N43-K47 PolarHBondContact OD1-O 2.84Å; Q45-K47 VanDerWaalsContact C-N 3.34Å; K47-V49 PolarHBondContact O-N 2.87Å
48I93.4Very high88.9Confident49 Ų4952.8 Ų52.825%0.25129%0.29SS..BIsolated β-bridgetrans-70.8124.6171.2-53.1175.5000108.6H40 I42 H50 H253H40-I48 HydrophobicContact CB-CG2 3.44Å; H40-I48 VanDerWaalsContact CB-CG2 3.44Å; I42-I48 HydrophobicContact CG1-CG1 4.36Å; I48-H50 VanDerWaalsContact CG2-NE2 3.31Å; I48-H50 WeakPolarHBondContact CG2-NE2 3.35Å; I48-H50 PolarHBondContact O-N 2.92Å; I48-H253 HydrophobicContact CD1-CB 4.23Å; I48-H253 HydrophobicContact CG2-CB 4.25Å
49V92.5Very high87.2Confident14 Ų1456.5 Ų56.59%0.08531%0.31CS..  trans-80.3111.2-178.9-176.90000108.9H40 E41 N43 K47 A170 V209 E211H40-V49 PolarHBondContact CD2-O 2.89Å; H40-V49 VanDerWaalsContact CD2-O 3.31Å; E41-V49 HydrophobicContact CB-CG2 4.39Å; E41-V49 WeakPolarHBondContact O-CG2 3.47Å; E41-V49 PolarHBondContact O-N 3.3Å; N43-V49 HydrophobicContact CB-CG2 4.16Å; K47-V49 PolarHBondContact O-N 2.87Å; V49-A170 HydrophobicContact CG1-CB 3.92Å; V49-V209 HydrophobicContact CG1-CG1 4.05Å; V49-V209 WeakPolarHBondContact O-CG1 3.33Å; V49-E211 HydrophobicContact CG2-CB 4.32Å
50H93.1Very high84.7Confident68 Ų6861.5 Ų61.532%0.31535%0.345SS..  trans-110154.7172.4-71-72.8000111.2H40 I48 N236 D512H40-H50 AromaticContact CD2-CE1 3.47Å; H40-H50 PolarHBondContact CD2-CE1 3.47Å; H40-H50 VanDerWaalsContact CD2-CE1 3.47Å; H40-H50 AromaticContact CD2-ND1 3.25Å; H40-H50 PolarHBondContact CD2-ND1 3.34Å; H40-H50 AromaticContact CE1-CE1 3.98Å; H40-H50 AromaticContact CG-CE1 3.87Å; H40-H50 AromaticContact NE2-CE1 3.56Å; H40-H50 AromaticContact NE2-ND1 3.28Å; H40-H50 PolarHBondContact NE2-ND1 3.34Å; I48-H50 VanDerWaalsContact CG2-NE2 3.31Å; I48-H50 WeakPolarHBondContact CG2-NE2 3.35Å; I48-H50 PolarHBondContact O-N 2.92Å; H50-N236 PolarHBondContact O-ND2 3.49Å; H50-N236 PolarHBondContact O-OD1 3.34Å; H50-D512 WeakPolarHBondContact CA-OD2 3.39Å; H50-D512 IonicContact CG-OD2 2.7Å; H50-D512 IonicContact ND1-OD1 3.46Å; H50-D512 IonicContact ND1-OD2 3.43Å; H50-D512 PolarHBondContact ND1-OD2 2.84Å
51L90.9Very high82Confident4 Ų469.5 Ų69.52%0.02138%0.382CS..  trans-94.693.4167.3-172.378000108.5L54 A170 Y172 V209 K233 G235 D512 L516L51-L54 HydrophobicContact CD1-CD2 4.43Å; L51-A170 HydrophobicContact CD1-CB 4.13Å; L51-Y172 HydrophobicContact CD2-CG 4.18Å; L51-V209 HydrophobicContact CB-CG1 4.48Å; L51-K233 HydrophobicContact CD2-CB 3.71Å; L51-G235 VanDerWaalsContact CD1-CA 3.46Å; L51-G235 VanDerWaalsContact CD1-N 3.33Å; L51-D512 HydrophobicContact CB-CB 4.11Å; L51-D512 PolarHBondContact N-OD2 2.81Å; L51-L516 HydrophobicContact CB-CD1 4.38Å; L51-L516 HydrophobicContact CD2-CD1 3.62Å; L51-L516 HydrophobicContact CG-CD1 3.65Å; L51-L516 VanDerWaalsContact O-CD1 3.29Å; L51-L516 WeakPolarHBondContact O-CD1 3.31Å
52D88.7Confident79Confident97 Ų9777.9 Ų77.952%0.51942%0.421SS..  trans-118.6-17.7-17560.10.4000113.5N236 L516D52-N236 PolarHBondContact N-OD1 3.43Å; D52-N236 PolarHBondContact OD1-ND2 3.18Å; D52-N236 PolarHBondContact OD1-OD1 3.26Å; D52-L516 VanDerWaalsContact O-CD2 3.3Å; D52-L516 WeakPolarHBondContact O-CD2 3.37Å
53D88Confident76Confident70 Ų7080.6 Ų80.637%0.37445%0.453SS..  trans-136.7132.4-176.8-171.314.3000111.9S55 G235 N236D53-S55 VanDerWaalsContact CG-OG 3.24Å; D53-S55 WeakPolarHBondContact OD1-CB 3.43Å; D53-S55 PolarHBondContact OD1-N 3.01Å; D53-S55 PolarHBondContact OD1-OG 2.76Å; D53-S55 WeakPolarHBondContact OD2-CB 3.46Å; D53-S55 PolarHBondContact OD2-OG 2.86Å; D53-G235 CarbonylContact O-C 3.52Å; D53-G235 VanDerWaalsContact O-CA 3.27Å; D53-G235 WeakPolarHBondContact O-CA 3.48Å; D53-N236 PolarHBondContact N-OD1 3.08Å; D53-N236 PolarHBondContact O-N 3.17Å; D53-N236 PolarHBondContact O-OD1 3.32Å
54L86.3Confident73Confident79 Ų7983.7 Ų83.741%0.41448%0.482SS..  trans-107.93174.4-59.3178.8000112.1L51 L234 L516L51-L54 HydrophobicContact CD1-CD2 4.43Å; L54-L234 WeakPolarHBondContact CD2-O 3.34Å; L54-L516 HydrophobicContact CD2-CD1 4.42Å; L54-L516 HydrophobicContact CG-CD1 4.4Å
55S83.9Confident70Confident62 Ų6286.9 Ų86.943%0.43450%0.498SS..PPolyproline II helixtrans-63.5146.3179.883.30000111.5D53 F237D53-S55 VanDerWaalsContact CG-OG 3.24Å; D53-S55 WeakPolarHBondContact OD1-CB 3.43Å; D53-S55 PolarHBondContact OD1-N 3.01Å; D53-S55 PolarHBondContact OD1-OG 2.76Å; D53-S55 WeakPolarHBondContact OD2-CB 3.46Å; D53-S55 PolarHBondContact OD2-OG 2.86Å; S55-F237 WeakPolarHBondContact O-CD2 2.99Å
56I83.4Confident67.2Low80 Ų8087.2 Ų87.241%0.4151%0.509SS..PPolyproline II helixtrans-89.5125.1175.4-66.8154.8000106.4A58 A219 E220 A223I56-A58 PolarHBondContact O-N 3.01Å; I56-A219 HydrophobicContact CG2-CB 4.14Å; I56-E220 HydrophobicContact CD1-CB 4.47Å; I56-E220 HydrophobicContact CD1-CG 4.1Å; I56-E220 HydrophobicContact CG2-CG 3.73Å; I56-A223 HydrophobicContact CD1-CB 4.12Å; I56-A223 HydrophobicContact CG1-CB 3.94Å
57P79.7Confident64.4Low32 Ų3293.5 Ų93.521%0.20853%0.529CS..PPolyproline II helixtrans-58126.9176.921.5-33000108.9D59 A219 F237 Y239P57-D59 PolarHBondContact O-N 3.24Å; P57-A219 HydrophobicContact CG-CB 3.92Å; P57-F237 HydrophobicContact CG-CB 4.05Å; P57-Y239 HydrophobicContact CB-CE2 4.42Å; P57-Y239 HydrophobicContact CG-CD2 4.27Å; P57-Y239 HydrophobicContact CG-CE2 3.74Å
58A69.1Low61.6Low92 Ų9296.3 Ų96.376%0.7654%0.544SS*.PPolyproline II helixtrans-56.3135.817200000108.6I56 S60I56-A58 PolarHBondContact O-N 3.01Å; A58-S60 PolarHBondContact O-N 3.14Å; A58-S60 VanDerWaalsContact O-N 3.12Å
59D58.2Low58.6Low81 Ų81101.7 Ų101.743%0.43357%0.569SS.*PPolyproline II helixtrans-63.5117.1169.8-72.3-18.8000106.7P57 E61 R163P57-D59 PolarHBondContact O-N 3.24Å; D59-E61 PolarHBondContact O-N 3.04Å; D59-R163 IonicContact OD1-CZ 2.91Å; D59-R163 IonicContact OD1-NE 3.76Å; D59-R163 IonicContact OD1-NH1 2.97Å; D59-R163 PolarHBondContact OD1-NH1 3.42Å; D59-R163 IonicContact OD1-NH2 2.74Å; D59-R163 PolarHBondContact OD1-NH2 2.98Å; D59-R163 IonicContact OD2-CZ 3.58Å; D59-R163 IonicContact OD2-NH1 3.74Å; D59-R163 IonicContact OD2-NH2 2.68Å; D59-R163 PolarHBondContact OD2-NH2 2.9Å
60S41.7Very low55.7Low106 Ų106106.6 Ų106.674%0.74160%0.601SS**  trans-64.690.3173.427.10000108.8A58 E62A58-S60 PolarHBondContact O-N 3.14Å; A58-S60 VanDerWaalsContact O-N 3.12Å; S60-E62 PolarHBondContact O-N 3.49Å
61E38.4Very low53.1Low177 Ų177111.5 Ų111.583%0.82763%0.629SS**  trans-7265157.7-68.2-169164.600108.7D59D59-E61 PolarHBondContact O-N 3.04Å
62E32.9Very low50.5Low176 Ų176115.1 Ų115.182%0.82265%0.648SS**  trans-93.4103.5159.7-80.8-173.4167.900107.6S60S60-E62 PolarHBondContact O-N 3.49Å
63G30.9Very low48.1Very low75 Ų75114.9 Ų114.977%0.77365%0.654SS**  trans95.246.3168.200000116.1E65G63-E65 VanDerWaalsContact C-N 3.33Å; G63-E65 PolarHBondContact O-N 3.29Å
64A27.4Very low46.2Very low82 Ų82119.4 Ų119.468%0.67868%0.678SS**  trans-82.193142.800000106T66A64-T66 PolarHBondContact O-N 3.35Å
65E27.3Very low44.8Very low185 Ų185118.4 Ų118.486%0.86468%0.675SS**  trans-51.2110.7159.7-76.7179.8163.300106.5G63 E67G63-E65 VanDerWaalsContact C-N 3.33Å; G63-E65 PolarHBondContact O-N 3.29Å; E65-E67 PolarHBondContact O-N 2.98Å
66T28Very low43.7Very low134 Ų134116.2 Ų116.282%0.82266%0.658SS**  trans-5984.2166.460000107.4A64 Q68A64-T66 PolarHBondContact O-N 3.35Å; T66-Q68 VanDerWaalsContact C-N 3.29Å; T66-Q68 PolarHBondContact O-N 3.05Å
67E28.5Very low43Very low167 Ų167116.3 Ų116.378%0.7866%0.662SS**  trans-59.1105.9148.8-83-170.3168.200105.4E65 Q69E65-E67 PolarHBondContact O-N 2.98Å; E67-Q69 PolarHBondContact O-N 3.25Å
68Q32.3Very low42.2Very low192 Ų192121.1 Ų121.190%0.89768%0.682SS**  trans-51.5101.2174.1-69.7173.3-15.300109T66T66-Q68 VanDerWaalsContact C-N 3.29Å; T66-Q68 PolarHBondContact O-N 3.05Å
69Q29.9Very low42Very low163 Ų163123.5 Ų123.576%0.76268%0.677SS**  trans-111.4140.8157.2-71.9-170.66.200107.9E67E67-Q69 PolarHBondContact O-N 3.25Å
70P30.6Very low42.5Very low117 Ų117121.6 Ų121.676%0.7667%0.666SS**  trans-70.2146.7-154.61.412.2000112.1D72P70-D72 PolarHBondContact O-N 3.43Å
71N38.5Very low43.8Very low170 Ų170118.8 Ų118.891%0.90964%0.64SS**  trans-21.596.3167.3-67.6-20.5000114.9
72D37.9Very low45.3Very low80 Ų80117.2 Ų117.243%0.42863%0.631SS.*  trans-117.215.7167.4-114.2-3.8000111.2P70 L111P70-D72 PolarHBondContact O-N 3.43Å; D72-L111 WeakPolarHBondContact OD1-CD2 3.4Å
73C37.1Very low46.9Very low93 Ų93113.1 Ų113.163%0.62861%0.612SS**  trans-10474.6-171.4-167.50000112
74D47.5Very low48.7Very low164 Ų164109.5 Ų109.588%0.87758%0.575SS**SBendtrans-16125.4156.4-112.9-11.3000113.9
75V57.3Low50.5Low58 Ų58106.4 Ų106.435%0.35255%0.55SS.*SBendtrans-99.4-20-169.1-177.70000113.3V112V75-V112 HydrophobicContact CG1-CB 4.14Å; V75-V112 HydrophobicContact CG1-CG2 3.25Å
76L60.7Low52.3Low16 Ų16102.4 Ų102.48%0.08453%0.532CS..SBendtrans-126.4130.7-176.9-68.7167.1000110.5K81 I99 V112 A115 I116L76-K81 HydrophobicContact CB-CG 4.27Å; L76-I99 HydrophobicContact CD2-CD1 3.75Å; L76-I99 HydrophobicContact CD2-CG2 4.43Å; L76-V112 HydrophobicContact CD2-CG1 4.25Å; L76-A115 HydrophobicContact CD1-CB 4.25Å; L76-I116 HydrophobicContact CD1-CG1 3.95Å; L76-I116 HydrophobicContact CD2-CG1 4.39Å
77T70.2Confident54.1Low82 Ų8296.9 Ų96.950%0.50350%0.497SS..  trans-71.6153.9175.356.40000111.4E79 Q80 K81T77-E79 PolarHBondContact O-N 3.19Å; T77-E79 VanDerWaalsContact O-N 3.16Å; T77-Q80 VanDerWaalsContact N-OE1 3.07Å; T77-Q80 WeakPolarHBondContact O-CB 3.33Å; T77-Q80 PolarHBondContact O-N 2.92Å; T77-Q80 WeakPolarHBondContact OG1-CG 3.41Å; T77-Q80 PolarHBondContact OG1-OE1 3.39Å; T77-K81 PolarHBondContact O-N 3.48Å
78E62.1Low55.8Low133 Ų13391.9 Ų91.962%0.62147%0.474SS*.Hα-helixtrans-56.7-32.4179.4-69.4-56.4121.900112.9K81 K82E78-K81 PolarHBondContact O-N 3.34Å; E78-K81 IonicContact OE1-NZ 2.73Å; E78-K81 PolarHBondContact OE1-NZ 3.44Å; E78-K82 PolarHBondContact O-N 3.03Å
79E65.3Low57.1Low142 Ų14286.7 Ų86.766%0.66445%0.452SS*.Hα-helixtrans-69.6-36.3176-165.5149.8-15200112.5T77 K82 Q83T77-E79 PolarHBondContact O-N 3.19Å; T77-E79 VanDerWaalsContact O-N 3.16Å; E79-K82 PolarHBondContact O-N 3.34Å; E79-Q83 WeakPolarHBondContact O-CG 3.38Å; E79-Q83 PolarHBondContact O-N 3.27Å
80Q67.8Low58.3Low41 Ų4183.1 Ų83.119%0.19243%0.434CS..Hα-helixtrans-70.1-38.5174.7-69.1166.6-11.900111.6T77 K82 Q83 L84 I99T77-Q80 VanDerWaalsContact N-OE1 3.07Å; T77-Q80 WeakPolarHBondContact O-CB 3.33Å; T77-Q80 PolarHBondContact O-N 2.92Å; T77-Q80 WeakPolarHBondContact OG1-CG 3.41Å; T77-Q80 PolarHBondContact OG1-OE1 3.39Å; Q80-K82 VanDerWaalsContact C-N 3.32Å; Q80-K82 PolarHBondContact O-N 2.95Å; Q80-Q83 PolarHBondContact O-N 3.48Å; Q80-L84 WeakPolarHBondContact O-CB 3.42Å; Q80-L84 VanDerWaalsContact O-CG 3.23Å; Q80-L84 WeakPolarHBondContact O-CG 3.39Å; Q80-L84 PolarHBondContact O-N 2.73Å; Q80-I99 HydrophobicContact CG-CG1 4.25Å
81K69.4Low59.4Low47 Ų4783.5 Ų83.520%0.20442%0.424CS..Hα-helixtrans-61.4-41.6173.8-68179.1-171.8166.80111.4L76 T77 E78 L84 G85 F120L76-K81 HydrophobicContact CB-CG 4.27Å; T77-K81 PolarHBondContact O-N 3.48Å; E78-K81 PolarHBondContact O-N 3.34Å; E78-K81 IonicContact OE1-NZ 2.73Å; E78-K81 PolarHBondContact OE1-NZ 3.44Å; K81-L84 PolarHBondContact O-N 3.43Å; K81-G85 PolarHBondContact O-N 2.91Å; K81-F120 HydrophobicContact CB-CZ 4.12Å; K81-F120 HydrophobicContact CG-CZ 4.43Å; K81-F120 WeakPolarHBondContact O-CZ 3.39Å
82K69.4Low59.9Low145 Ų14580 Ų8063%0.6341%0.405SS*.Hα-helixtrans-63.3-46.8176.4-170.6179.2178-176.80112.1E78 E79 Q80 G85 E86E78-K82 PolarHBondContact O-N 3.03Å; E79-K82 PolarHBondContact O-N 3.34Å; Q80-K82 VanDerWaalsContact C-N 3.32Å; Q80-K82 PolarHBondContact O-N 2.95Å; K82-G85 PolarHBondContact O-N 2.96Å; K82-E86 WeakPolarHBondContact O-CG 3.38Å; K82-E86 PolarHBondContact O-N 3.2Å
83Q67.8Low60.5Low89 Ų8983.3 Ų83.342%0.41642%0.415SS..Hα-helixtrans-64-40.3178-72.6179.7-5.700112.6E79 Q80 L87 V97E79-Q83 WeakPolarHBondContact O-CG 3.38Å; E79-Q83 PolarHBondContact O-N 3.27Å; Q80-Q83 PolarHBondContact O-N 3.48Å; Q83-L87 PolarHBondContact O-N 3.08Å; Q83-V97 HydrophobicContact CB-CG1 4.26Å; Q83-V97 HydrophobicContact CB-CG2 3.99Å
84L67.8Low61.1Low0 Ų087.8 Ų87.80%043%0.427CS..Hα-helixtrans-67.4-39.6175.7-71.4168.7000112.2Q80 K81 L87 Q88 V97 I99 I116 F120 L123 A138Q80-L84 WeakPolarHBondContact O-CB 3.42Å; Q80-L84 VanDerWaalsContact O-CG 3.23Å; Q80-L84 WeakPolarHBondContact O-CG 3.39Å; Q80-L84 PolarHBondContact O-N 2.73Å; K81-L84 PolarHBondContact O-N 3.43Å; L84-L87 PolarHBondContact O-N 2.97Å; L84-Q88 PolarHBondContact O-N 3.39Å; L84-V97 HydrophobicContact CD2-CB 4.26Å; L84-V97 HydrophobicContact CD2-CG1 4.25Å; L84-V97 HydrophobicContact CG-CG1 4.46Å; L84-I99 HydrophobicContact CD1-CD1 4.05Å; L84-I116 HydrophobicContact CD1-CD1 4.44Å; L84-I116 HydrophobicContact CD1-CG1 4.09Å; L84-I116 HydrophobicContact CD2-CG2 4.48Å; L84-F120 HydrophobicContact CB-CD1 4.13Å; L84-F120 HydrophobicContact CB-CD2 4.04Å; L84-F120 HydrophobicContact CB-CE1 4.05Å; L84-F120 HydrophobicContact CB-CE2 3.96Å; L84-F120 HydrophobicContact CB-CG 4.12Å; L84-F120 HydrophobicContact CB-CZ 3.96Å; L84-F120 HydrophobicContact CD1-CD2 4.01Å; L84-F120 HydrophobicContact CD1-CE2 3.87Å; L84-L123 HydrophobicContact CB-CD1 4.28Å; L84-L123 HydrophobicContact CD2-CD1 3.83Å; L84-A138 HydrophobicContact CD2-CB 3.37Å
85G64.5Low61.6Low16 Ų1681.4 Ų81.417%0.16540%0.4CS..Hα-helixtrans-61.9-45174.400000112.3K81 K82 L87 Q88 L89K81-G85 PolarHBondContact O-N 2.91Å; K82-G85 PolarHBondContact O-N 2.96Å; G85-L87 VanDerWaalsContact C-N 3.33Å; G85-L87 PolarHBondContact O-N 3.49Å; G85-Q88 PolarHBondContact O-N 3.35Å; G85-L89 WeakPolarHBondContact O-CD1 3.39Å; G85-L89 WeakPolarHBondContact O-CG 3.38Å; G85-L89 PolarHBondContact O-N 3.44Å
86E65.8Low62.2Low102 Ų10283.6 Ų83.648%0.47741%0.41SS..Hα-helixtrans-57.8-45.6172.5-73.2179.5-179.300111.1K82 Q88 L89 F90K82-E86 WeakPolarHBondContact O-CG 3.38Å; K82-E86 PolarHBondContact O-N 3.2Å; E86-Q88 VanDerWaalsContact C-N 3.32Å; E86-Q88 PolarHBondContact O-N 3.04Å; E86-L89 PolarHBondContact O-N 2.97Å; E86-F90 WeakPolarHBondContact O-CD2 3.23Å; E86-F90 PolarHBondContact O-N 3.06Å
87L65.5Low62.8Low17 Ų1783.5 Ų83.59%0.08941%0.41CS..Hα-helixtrans-65.2-33.6-179.2-146.9144.2000113.1Q83 L84 G85 V97 L123 H140Q83-L87 PolarHBondContact O-N 3.08Å; L84-L87 PolarHBondContact O-N 2.97Å; G85-L87 VanDerWaalsContact C-N 3.33Å; G85-L87 PolarHBondContact O-N 3.49Å; L87-V97 HydrophobicContact CD1-CB 4.19Å; L87-V97 HydrophobicContact CD1-CG2 3.44Å; L87-V97 VanDerWaalsContact CD1-CG2 3.44Å; L87-L123 HydrophobicContact CD2-CD2 3.53Å; L87-H140 HydrophobicContact CD2-CB 4.48Å
88Q64.2Low62.8Low63 Ų6383.1 Ų83.129%0.29441%0.411SS..Hα-helixtrans-70.8-40.4175.3-168-175.418.400112.5L84 G85 E86 F90 P121L84-Q88 PolarHBondContact O-N 3.39Å; G85-Q88 PolarHBondContact O-N 3.35Å; E86-Q88 VanDerWaalsContact C-N 3.32Å; E86-Q88 PolarHBondContact O-N 3.04Å; Q88-F90 PolarHBondContact O-N 3.27Å; Q88-P121 PolarHBondContact NE2-O 2.97Å
89L60.3Low63.4Low82 Ų8277 Ų7743%0.42938%0.382SS..Hα-helixtrans-65.2-37.8-177.2-81.4157.9000113.1G85 E86G85-L89 WeakPolarHBondContact O-CD1 3.39Å; G85-L89 WeakPolarHBondContact O-CG 3.38Å; G85-L89 PolarHBondContact O-N 3.44Å; E86-L89 PolarHBondContact O-N 2.97Å
90F54Low63.7Low88 Ų8874.3 Ų74.339%0.38637%0.369SS..Hα-helixtrans-89-13.4-169.5-76.5-73.1000116E86 Q88 N92 H224E86-F90 WeakPolarHBondContact O-CD2 3.23Å; E86-F90 PolarHBondContact O-N 3.06Å; Q88-F90 PolarHBondContact O-N 3.27Å; F90-N92 HydrophobicContact CB-CB 4.26Å; F90-N92 PolarHBondContact O-N 3.42Å; F90-H224 AromaticContact CE1-CD2 3.71Å; F90-H224 AromaticContact CE1-NE2 3.52Å; F90-H224 AromaticContact CZ-CD2 3.51Å; F90-H224 AromaticContact CZ-CE1 3.3Å; F90-H224 WeakPolarHBondContact CZ-CE1 3.43Å; F90-H224 AromaticContact CZ-CG 3.75Å; F90-H224 AromaticContact CZ-ND1 3.63Å; F90-H224 AromaticContact CZ-NE2 3.22Å; F90-H224 WeakPolarHBondContact CZ-NE2 3.45Å
91K53.7Low63.8Low126 Ų12673.2 Ų73.255%0.54837%0.366SS..THydrogen-bonded Turntrans44.834.6-166.1-62.7-173.7176.3175.30111.7K93K91-K93 PolarHBondContact O-N 3.18Å; K91-K93 VanDerWaalsContact O-N 3.14Å
92N49.2Very low63.3Low96 Ų9679.9 Ų79.951%0.51340%0.395SS..  trans-66.3115.5177.6-92-12.9000107.4F90 E94F90-N92 HydrophobicContact CB-CB 4.26Å; F90-N92 PolarHBondContact O-N 3.42Å; N92-E94 PolarHBondContact O-N 3.18Å
93K52.1Low63Low149 Ų14977.5 Ų77.565%0.64839%0.389SS*.SBendtrans-74.1-7.2-170-71.4-177.4175.5-176.20114.1K91 G143K91-K93 PolarHBondContact O-N 3.18Å; K91-K93 VanDerWaalsContact O-N 3.14Å; K93-G143 WeakPolarHBondContact O-CA 3.46Å
94E49.1Very low62.8Low188 Ų18876.9 Ų76.988%0.87939%0.388SS*.SBendtrans-126.1-9.9-171.6-67.4175.2176.600114.2N92N92-E94 PolarHBondContact O-N 3.18Å
95G58.2Low63.1Low30 Ų3079.9 Ų79.931%0.30941%0.407SS..  trans-77.9139.9178.800000111.9
96N69.1Low63.4Low103 Ų10387 Ų8755%0.55143%0.433SS*.EExtended strand (participates in β ladder)trans-129.6151168.562.822.6000110.2V137 A138N96-V137 HydrophobicContact CB-CG1 3.66Å; N96-A138 WeakPolarHBondContact CA-O 3.41Å
97V73.3Confident63.7Low15 Ų1589.4 Ų89.49%0.09144%0.444CS..EExtended strand (participates in β ladder)trans-118.3119.8172.2168.10000107.1Q83 L84 L87 I99 V137 A138Q83-V97 HydrophobicContact CB-CG1 4.26Å; Q83-V97 HydrophobicContact CB-CG2 3.99Å; L84-V97 HydrophobicContact CD2-CB 4.26Å; L84-V97 HydrophobicContact CD2-CG1 4.25Å; L84-V97 HydrophobicContact CG-CG1 4.46Å; L87-V97 HydrophobicContact CD1-CB 4.19Å; L87-V97 HydrophobicContact CD1-CG2 3.44Å; L87-V97 VanDerWaalsContact CD1-CG2 3.44Å; V97-I99 HydrophobicContact CG1-CG1 4.29Å; V97-V137 CarbonylContact O-C 3.15Å; V97-V137 WeakPolarHBondContact O-CA 3.41Å; V97-A138 PolarHBondContact N-O 2.86Å; V97-A138 PolarHBondContact O-N 3.49Å
98S70.1Confident64Low74 Ų7493 Ų9352%0.51746%0.459SS..EExtended strand (participates in β ladder)trans-98.5119.7178.451.90000110.6
99I75.9Confident64.2Low4 Ų492.5 Ų92.52%0.02146%0.455CS..EExtended strand (participates in β ladder)trans-105117.8177.5-65.5158.5000108.4L76 Q80 L84 V97 I116 F135 I136L76-I99 HydrophobicContact CD2-CD1 3.75Å; L76-I99 HydrophobicContact CD2-CG2 4.43Å; Q80-I99 HydrophobicContact CG-CG1 4.25Å; L84-I99 HydrophobicContact CD1-CD1 4.05Å; V97-I99 HydrophobicContact CG1-CG1 4.29Å; I99-I116 HydrophobicContact CD1-CD1 3.72Å; I99-F135 CarbonylContact O-C 3.5Å; I99-F135 VanDerWaalsContact O-CA 3.28Å; I99-F135 WeakPolarHBondContact O-CA 3.23Å; I99-I136 PolarHBondContact N-O 3.39Å; I99-I136 PolarHBondContact O-N 3.05Å
100E71.3Confident64.9Low85 Ų8592.7 Ų92.740%0.39746%0.459SS..EExtended strand (participates in β ladder)trans-75.1132.5175.4-166.3-178.5176.400110.9H133 F135E100-H133 IonicContact OE1-CG 3.86Å; E100-H133 IonicContact OE1-ND1 3.27Å; E100-H133 PolarHBondContact OE1-ND1 2.79Å; E100-F135 HydrophobicContact CB-CD1 3.79Å; E100-F135 HydrophobicContact CB-CE1 3.56Å; E100-F135 HydrophobicContact CB-CZ 4.46Å; E100-F135 HydrophobicContact CG-CD1 4.13Å; E100-F135 HydrophobicContact CG-CE1 3.64Å; E100-F135 HydrophobicContact CG-CZ 4.06Å
101V70.3Confident66.1Low19 Ų1991.5 Ų91.512%0.11546%0.456CS..  trans-101.1102.4175.2-174.40000108.5D103 R109 K134 I136V101-D103 VanDerWaalsContact C-N 3.31Å; V101-D103 WeakPolarHBondContact CG1-O 3.22Å; V101-D103 PolarHBondContact O-N 2.74Å; V101-R109 HydrophobicContact CG1-CG 4.36Å; V101-R109 HydrophobicContact CG2-CG 4.36Å; V101-K134 PolarHBondContact N-O 2.89Å; V101-K134 VanDerWaalsContact N-O 3.14Å; V101-I136 HydrophobicContact CG2-CD1 3.82Å; V101-I136 HydrophobicContact CG2-CG1 4.02Å
102K58.9Low67.1Low187 Ų18785.8 Ų85.881%0.81343%0.432SS*.SBendtrans-63.3-29.2-174.2-68.5-175.4176.9-178.30114.5
103D62Low68.3Low94 Ų9483.2 Ų83.250%0.50342%0.417SS..SBendtrans-118.8104.7174.3-62.3-36.9000110.2V101 T105 K108V101-D103 VanDerWaalsContact C-N 3.31Å; V101-D103 WeakPolarHBondContact CG1-O 3.22Å; V101-D103 PolarHBondContact O-N 2.74Å; D103-T105 VanDerWaalsContact C-N 3.33Å; D103-T105 PolarHBondContact O-N 2.68Å; D103-K108 HydrophobicContact CB-CD 4.08Å; D103-K108 IonicContact OD2-NZ 2.72Å; D103-K108 PolarHBondContact OD2-NZ 3.33Å
104D63.9Low69.4Low77 Ų7782.2 Ų82.241%0.41241%0.413SS..  trans-76.277.7-176-178.527.8000113.1R109 K134D104-R109 IonicContact OD1-CZ 3.09Å; D104-R109 IonicContact OD1-NE 2.73Å; D104-R109 PolarHBondContact OD1-NE 3.41Å; D104-R109 IonicContact OD1-NH2 2.85Å; D104-R109 PolarHBondContact OD1-NH2 3.47Å; D104-R109 IonicContact OD2-NH2 3.78Å; D104-K134 IonicContact OD1-NZ 3.9Å; D104-K134 WeakPolarHBondContact OD2-CD 3.46Å; D104-K134 WeakPolarHBondContact OD2-CE 3.41Å; D104-K134 IonicContact OD2-NZ 2.67Å; D104-K134 PolarHBondContact OD2-NZ 3.21Å
105T72.8Confident70.6Confident62 Ų6273.8 Ų73.838%0.3838%0.375SS..  trans-107142.7162.2670000110.9D103 E107 K108 R109D103-T105 VanDerWaalsContact C-N 3.33Å; D103-T105 PolarHBondContact O-N 2.68Å; T105-E107 PolarHBondContact O-N 3.06Å; T105-K108 PolarHBondContact O-N 2.98Å; T105-K108 WeakPolarHBondContact OG1-CB 3.29Å; T105-K108 WeakPolarHBondContact OG1-CG 3.37Å; T105-K108 PolarHBondContact OG1-N 3.09Å; T105-R109 PolarHBondContact O-N 3.16Å; T105-R109 VanDerWaalsContact O-N 3.13Å
106K70.9Confident71.3Confident165 Ų16572.3 Ų72.372%0.71736%0.36SS*.Hα-helixtrans-58.6-31.8178.6-170.8179.3178.4-176.20111.8T110K106-T110 WeakPolarHBondContact O-CB 3.04Å; K106-T110 PolarHBondContact O-N 3.31Å; K106-T110 VanDerWaalsContact O-N 3.14Å; K106-T110 PolarHBondContact O-OG1 3.44Å
107E72.5Confident71.5Confident154 Ų15475 Ų7572%0.7237%0.367SS*.Hα-helixtrans-68.9-50.2177.8-67175.7178.600112T105 R109 T110 L111T105-E107 PolarHBondContact O-N 3.06Å; E107-R109 VanDerWaalsContact C-N 3.33Å; E107-R109 PolarHBondContact O-N 3.01Å; E107-T110 PolarHBondContact O-N 3.19Å; E107-T110 VanDerWaalsContact O-N 3.12Å; E107-L111 WeakPolarHBondContact O-CG 3.42Å; E107-L111 PolarHBondContact O-N 3.46Å
108K72.1Confident71.5Confident93 Ų9379.3 Ų79.340%0.40439%0.394SS..Hα-helixtrans-60.5-41.1176.8-75-176.6-178.6-171.10112D103 T105 T110 L111 V112D103-K108 HydrophobicContact CB-CD 4.08Å; D103-K108 IonicContact OD2-NZ 2.72Å; D103-K108 PolarHBondContact OD2-NZ 3.33Å; T105-K108 PolarHBondContact O-N 2.98Å; T105-K108 WeakPolarHBondContact OG1-CB 3.29Å; T105-K108 WeakPolarHBondContact OG1-CG 3.37Å; T105-K108 PolarHBondContact OG1-N 3.09Å; K108-T110 VanDerWaalsContact C-N 3.34Å; K108-T110 PolarHBondContact O-N 3.45Å; K108-L111 PolarHBondContact O-N 3.32Å; K108-V112 VanDerWaalsContact O-CG2 3.27Å; K108-V112 WeakPolarHBondContact O-CG2 3.38Å; K108-V112 PolarHBondContact O-N 2.85Å
109R69.1Low71.5Confident52 Ų5279.9 Ų79.920%0.19639%0.388CS..Hα-helixtrans-59.7-44.7174.3-75.9-170.9-86.1151-7112.2V101 D104 T105 E107 L111 V112 H113 I136V101-R109 HydrophobicContact CG1-CG 4.36Å; V101-R109 HydrophobicContact CG2-CG 4.36Å; D104-R109 IonicContact OD1-CZ 3.09Å; D104-R109 IonicContact OD1-NE 2.73Å; D104-R109 PolarHBondContact OD1-NE 3.41Å; D104-R109 IonicContact OD1-NH2 2.85Å; D104-R109 PolarHBondContact OD1-NH2 3.47Å; D104-R109 IonicContact OD2-NH2 3.78Å; T105-R109 PolarHBondContact O-N 3.16Å; T105-R109 VanDerWaalsContact O-N 3.13Å; E107-R109 VanDerWaalsContact C-N 3.33Å; E107-R109 PolarHBondContact O-N 3.01Å; R109-L111 VanDerWaalsContact C-N 3.32Å; R109-L111 PolarHBondContact O-N 3.11Å; R109-V112 PolarHBondContact O-N 3.05Å; R109-H113 PolarHBondContact O-CD2 3.06Å; R109-H113 PolarHBondContact O-N 3.29Å; R109-I136 HydrophobicContact CB-CD1 4.27Å; R109-I136 HydrophobicContact CG-CD1 4.29Å
110T75.2Confident71.3Confident85 Ų8580.8 Ų80.852%0.52139%0.392SS..Hα-helixtrans-65.6-37.6180-53.10000111.4K106 E107 K108 H113 K114K106-T110 WeakPolarHBondContact O-CB 3.04Å; K106-T110 PolarHBondContact O-N 3.31Å; K106-T110 VanDerWaalsContact O-N 3.14Å; K106-T110 PolarHBondContact O-OG1 3.44Å; E107-T110 PolarHBondContact O-N 3.19Å; E107-T110 VanDerWaalsContact O-N 3.12Å; K108-T110 VanDerWaalsContact C-N 3.34Å; K108-T110 PolarHBondContact O-N 3.45Å; T110-H113 PolarHBondContact O-N 3.27Å; T110-K114 WeakPolarHBondContact O-CB 3.2Å; T110-K114 PolarHBondContact O-N 2.94Å
111L78.2Confident71Confident63 Ų6381 Ų8133%0.3340%0.401SS..Hα-helixtrans-62.9-46.2174.2-73.5166.5000112D72 E107 K108 R109 H113 K114 A115D72-L111 WeakPolarHBondContact OD1-CD2 3.4Å; E107-L111 WeakPolarHBondContact O-CG 3.42Å; E107-L111 PolarHBondContact O-N 3.46Å; K108-L111 PolarHBondContact O-N 3.32Å; R109-L111 VanDerWaalsContact C-N 3.32Å; R109-L111 PolarHBondContact O-N 3.11Å; L111-H113 VanDerWaalsContact C-N 3.35Å; L111-H113 PolarHBondContact O-N 3.36Å; L111-K114 PolarHBondContact O-N 3.15Å; L111-A115 WeakPolarHBondContact O-CB 3.43Å; L111-A115 PolarHBondContact O-N 3.33Å
112V74.6Confident70.7Confident7 Ų781.9 Ų81.94%0.04241%0.414CS..Hα-helixtrans-59.9-44.7175.1178.80000110.9V75 L76 K108 R109 K114 A115 I116 I136V75-V112 HydrophobicContact CG1-CB 4.14Å; V75-V112 HydrophobicContact CG1-CG2 3.25Å; L76-V112 HydrophobicContact CD2-CG1 4.25Å; K108-V112 VanDerWaalsContact O-CG2 3.27Å; K108-V112 WeakPolarHBondContact O-CG2 3.38Å; K108-V112 PolarHBondContact O-N 2.85Å; R109-V112 PolarHBondContact O-N 3.05Å; V112-K114 VanDerWaalsContact C-N 3.31Å; V112-K114 PolarHBondContact O-N 3.27Å; V112-A115 PolarHBondContact O-N 3.29Å; V112-I116 HydrophobicContact CG1-CD1 3.73Å; V112-I116 HydrophobicContact CG1-CG1 4.35Å; V112-I116 VanDerWaalsContact O-CG1 3.31Å; V112-I116 WeakPolarHBondContact O-CG1 3.4Å; V112-I116 PolarHBondContact O-N 3.01Å; V112-I136 HydrophobicContact CB-CD1 3.46Å; V112-I136 VanDerWaalsContact CB-CD1 3.46Å; V112-I136 HydrophobicContact CG1-CB 4.36Å; V112-I136 HydrophobicContact CG1-CD1 3.5Å; V112-I136 HydrophobicContact CG1-CG2 4.26Å; V112-I136 HydrophobicContact CG2-CD1 4.05Å
113H74.3Confident71.3Confident42 Ų4273.6 Ų73.619%0.19438%0.378CS..Hα-helixtrans-59.3-42.1176.1-84.3-76.3000112.2R109 T110 L111 K117 T125 T127R109-H113 PolarHBondContact O-CD2 3.06Å; R109-H113 PolarHBondContact O-N 3.29Å; T110-H113 PolarHBondContact O-N 3.27Å; L111-H113 VanDerWaalsContact C-N 3.35Å; L111-H113 PolarHBondContact O-N 3.36Å; H113-K117 VanDerWaalsContact O-CB 3.28Å; H113-K117 WeakPolarHBondContact O-CB 3.27Å; H113-K117 PolarHBondContact O-N 3.4Å; H113-K117 VanDerWaalsContact O-N 3.14Å; H113-T125 PolarHBondContact CE1-O 3.42Å; H113-T125 WeakPolarHBondContact ND1-CB 3.38Å; H113-T125 PolarHBondContact ND1-OG1 3.2Å; H113-T127 PolarHBondContact NE2-OG1 3.32Å; H113-T127 VanDerWaalsContact NE2-OG1 3.11Å
114K75.6Confident71.8Confident127 Ų12773.5 Ų73.555%0.55238%0.375SS*.Hα-helixtrans-68.4-45178.3-165.3-177.5177.6-163.30111T110 L111 V112 K117 T118T110-K114 WeakPolarHBondContact O-CB 3.2Å; T110-K114 PolarHBondContact O-N 2.94Å; L111-K114 PolarHBondContact O-N 3.15Å; V112-K114 VanDerWaalsContact C-N 3.31Å; V112-K114 PolarHBondContact O-N 3.27Å; K114-K117 PolarHBondContact O-N 3.46Å; K114-T118 WeakPolarHBondContact O-CB 3.17Å; K114-T118 PolarHBondContact O-N 2.84Å; K114-T118 PolarHBondContact O-OG1 3.4Å
115A73.8Confident72.5Confident11 Ų1171.4 Ų71.49%0.09137%0.365CS..Hα-helixtrans-60-47.6178.100000112.1L76 L111 V112 K117 T118 Q119L76-A115 HydrophobicContact CD1-CB 4.25Å; L111-A115 WeakPolarHBondContact O-CB 3.43Å; L111-A115 PolarHBondContact O-N 3.33Å; V112-A115 PolarHBondContact O-N 3.29Å; A115-K117 VanDerWaalsContact C-N 3.32Å; A115-K117 PolarHBondContact O-N 3.3Å; A115-T118 PolarHBondContact O-N 2.95Å; A115-Q119 WeakPolarHBondContact O-CB 3.5Å; A115-Q119 PolarHBondContact O-N 3.4Å
116I74.1Confident72.8Confident0 Ų073.3 Ų73.30%037%0.368CS..Hα-helixtrans-63.7-40177.5-63.1168.5000110.7L76 L84 I99 V112 T118 F120 T125 I136L76-I116 HydrophobicContact CD1-CG1 3.95Å; L76-I116 HydrophobicContact CD2-CG1 4.39Å; L84-I116 HydrophobicContact CD1-CD1 4.44Å; L84-I116 HydrophobicContact CD1-CG1 4.09Å; L84-I116 HydrophobicContact CD2-CG2 4.48Å; I99-I116 HydrophobicContact CD1-CD1 3.72Å; V112-I116 HydrophobicContact CG1-CD1 3.73Å; V112-I116 HydrophobicContact CG1-CG1 4.35Å; V112-I116 VanDerWaalsContact O-CG1 3.31Å; V112-I116 WeakPolarHBondContact O-CG1 3.4Å; V112-I116 PolarHBondContact O-N 3.01Å; I116-T118 VanDerWaalsContact C-N 3.35Å; I116-T118 PolarHBondContact O-N 3.09Å; I116-F120 CarbonylContact O-C 3.52Å; I116-F120 WeakPolarHBondContact O-CA 3.48Å; I116-F120 WeakPolarHBondContact O-CB 3.19Å; I116-F120 PolarHBondContact O-N 3.04Å; I116-T125 HydrophobicContact CB-CG2 4.02Å; I116-T125 HydrophobicContact CD1-CG2 3.82Å; I116-T125 HydrophobicContact CG2-CG2 3.59Å; I116-I136 HydrophobicContact CD1-CG2 4.11Å
117K73.1Confident73.2Confident158 Ų15867.8 Ų67.869%0.68735%0.348SS*.Hα-helixtrans-68.8-33.3-179.8-168175.8-176.6-179.30112.7H113 K114 A115H113-K117 VanDerWaalsContact O-CB 3.28Å; H113-K117 WeakPolarHBondContact O-CB 3.27Å; H113-K117 PolarHBondContact O-N 3.4Å; H113-K117 VanDerWaalsContact O-N 3.14Å; K114-K117 PolarHBondContact O-N 3.46Å; A115-K117 VanDerWaalsContact C-N 3.32Å; A115-K117 PolarHBondContact O-N 3.3Å
118T72Confident73.5Confident107 Ų10763.3 Ų63.366%0.65633%0.327SS*.Hα-helixtrans-78.5-47.5178.1-55.80000111.6K114 A115 I116K114-T118 WeakPolarHBondContact O-CB 3.17Å; K114-T118 PolarHBondContact O-N 2.84Å; K114-T118 PolarHBondContact O-OG1 3.4Å; A115-T118 PolarHBondContact O-N 2.95Å; I116-T118 VanDerWaalsContact C-N 3.35Å; I116-T118 PolarHBondContact O-N 3.09Å
119Q70.7Confident73.7Confident86 Ų8665.1 Ų65.140%0.40234%0.337SS..Hα-helixtrans-78.4-31.9-176.6-68.3177.86.300113.1A115 P121A115-Q119 WeakPolarHBondContact O-CB 3.5Å; A115-Q119 PolarHBondContact O-N 3.4Å; Q119-P121 WeakPolarHBondContact O-CD 3.45Å
120F71.4Confident73.8Confident22 Ų2268.8 Ų68.810%0.09636%0.355CS..SBendtrans-126.473-175-56.8-81.2000112.4K81 L84 I116 G122 L123K81-F120 HydrophobicContact CB-CZ 4.12Å; K81-F120 HydrophobicContact CG-CZ 4.43Å; K81-F120 WeakPolarHBondContact O-CZ 3.39Å; L84-F120 HydrophobicContact CB-CD1 4.13Å; L84-F120 HydrophobicContact CB-CD2 4.04Å; L84-F120 HydrophobicContact CB-CE1 4.05Å; L84-F120 HydrophobicContact CB-CE2 3.96Å; L84-F120 HydrophobicContact CB-CG 4.12Å; L84-F120 HydrophobicContact CB-CZ 3.96Å; L84-F120 HydrophobicContact CD1-CD2 4.01Å; L84-F120 HydrophobicContact CD1-CE2 3.87Å; I116-F120 CarbonylContact O-C 3.52Å; I116-F120 WeakPolarHBondContact O-CA 3.48Å; I116-F120 WeakPolarHBondContact O-CB 3.19Å; I116-F120 PolarHBondContact O-N 3.04Å; F120-G122 PolarHBondContact O-N 3.11Å; F120-L123 HydrophobicContact CB-CD1 3.83Å; F120-L123 HydrophobicContact CB-CG 4.41Å; F120-L123 HydrophobicContact CG-CD1 4.46Å; F120-L123 PolarHBondContact O-N 3.19Å
121P65.6Low73.3Confident89 Ų8974.1 Ų74.158%0.57837%0.374SS*.THydrogen-bonded Turntrans-62.4118.5179.621.8-31000112.1Q88 Q119Q88-P121 PolarHBondContact NE2-O 2.97Å; Q119-P121 WeakPolarHBondContact O-CD 3.45Å
122G63.2Low72.7Confident39 Ų3974.2 Ų74.240%0.40239%0.389SS..THydrogen-bonded Turntrans122.5-11.817900000115F120 A141F120-G122 PolarHBondContact O-N 3.11Å; G122-A141 PolarHBondContact O-N 2.91Å
123L71.8Confident72.5Confident12 Ų1278.8 Ų78.86%0.06341%0.41CS..EExtended strand (participates in β ladder)trans-90.3133.4170.9-60.4178.9000110.4L84 L87 F120 Y139L84-L123 HydrophobicContact CB-CD1 4.28Å; L84-L123 HydrophobicContact CD2-CD1 3.83Å; L87-L123 HydrophobicContact CD2-CD2 3.53Å; F120-L123 HydrophobicContact CB-CD1 3.83Å; F120-L123 HydrophobicContact CB-CG 4.41Å; F120-L123 HydrophobicContact CG-CD1 4.46Å; F120-L123 PolarHBondContact O-N 3.19Å; L123-Y139 CarbonylContact C-O 3.57Å; L123-Y139 WeakPolarHBondContact CA-O 3.3Å
124E73.4Confident72.6Confident93 Ų9378.9 Ų78.944%0.43541%0.41SS..EExtended strand (participates in β ladder)trans-94.9143.8166.4-79.3175.9-172.900108.6A138 Y139 A141E124-A138 CarbonylContact O-C 3.53Å; E124-A138 WeakPolarHBondContact O-CA 3.32Å; E124-Y139 HydrophobicContact CB-CD2 4.05Å; E124-Y139 HydrophobicContact CB-CE1 4.25Å; E124-Y139 HydrophobicContact CB-CE2 3.52Å; E124-Y139 PolarHBondContact N-O 3.13Å; E124-Y139 WeakPolarHBondContact O-CD1 3.22Å; E124-Y139 PolarHBondContact O-N 3.33Å; E124-Y139 VanDerWaalsContact O-O 3.1Å; E124-Y139 WeakPolarHBondContact OE2-CE2 3.43Å; E124-A141 HydrophobicContact CG-CB 3.83Å; E124-A141 WeakPolarHBondContact OE1-CB 3.4Å
125T79Confident72.7Confident32 Ų3274.9 Ų74.920%0.19639%0.393CS..EExtended strand (participates in β ladder)trans-122.9136.5-176.6430000109.3H113 I116 I136 V137 A138H113-T125 PolarHBondContact CE1-O 3.42Å; H113-T125 WeakPolarHBondContact ND1-CB 3.38Å; H113-T125 PolarHBondContact ND1-OG1 3.2Å; I116-T125 HydrophobicContact CB-CG2 4.02Å; I116-T125 HydrophobicContact CD1-CG2 3.82Å; I116-T125 HydrophobicContact CG2-CG2 3.59Å; T125-I136 HydrophobicContact CG2-CG2 4.25Å; T125-V137 CarbonylContact C-O 3.57Å; T125-V137 WeakPolarHBondContact CA-O 3.32Å; T125-A138 HydrophobicContact CG2-CB 3.89Å
126K78Confident72.9Confident102 Ų10274.4 Ų74.444%0.44339%0.389SS..EExtended strand (participates in β ladder)trans-132.2137.6176.9-179.8-174.3170.4-147.90109.5E128 V137 Y139K126-E128 HydrophobicContact CD-CG 4.25Å; K126-E128 HydrophobicContact CG-CG 4.35Å; K126-E128 IonicContact NZ-OE1 2.8Å; K126-E128 PolarHBondContact NZ-OE1 3.1Å; K126-V137 PolarHBondContact N-O 3.45Å; K126-V137 PolarHBondContact O-N 3.41Å; K126-Y139 HydrophobicContact CB-CE1 3.72Å
127T79.5Confident72.9Confident50 Ų5074.9 Ų74.931%0.30739%0.391SS..EExtended strand (participates in β ladder)trans-79.4126.4169.9-39.10000109.5H113 K134 F135H113-T127 PolarHBondContact NE2-OG1 3.32Å; H113-T127 VanDerWaalsContact NE2-OG1 3.11Å; T127-K134 HydrophobicContact CG2-CB 4.43Å; T127-F135 CarbonylContact C-O 3.54Å; T127-F135 WeakPolarHBondContact CA-O 3.43Å
128E78.2Confident73Confident59 Ų5967.3 Ų67.328%0.27636%0.359SS..EExtended strand (participates in β ladder)trans-122.7142.8171.7-63.2-162.9156.700109.7K126 F135 V137K126-E128 HydrophobicContact CD-CG 4.25Å; K126-E128 HydrophobicContact CG-CG 4.35Å; K126-E128 IonicContact NZ-OE1 2.8Å; K126-E128 PolarHBondContact NZ-OE1 3.1Å; E128-F135 PolarHBondContact N-O 2.92Å; E128-F135 PolarHBondContact O-N 2.93Å; E128-V137 HydrophobicContact CB-CG2 4.17Å; E128-V137 HydrophobicContact CG-CG2 4.06Å
129E76.4Confident72.9Confident131 Ų13165.7 Ų65.761%0.61234%0.341SS*.EExtended strand (participates in β ladder)trans-107.3122.4176.8-169.9169.4163.100107.9H133 K134E129-H133 WeakPolarHBondContact CA-O 3.37Å; E129-K134 HydrophobicContact CB-CG 4.26Å; E129-K134 HydrophobicContact CG-CG 4.05Å; E129-K134 WeakPolarHBondContact OE2-CE 3.5Å
130K72.3Confident72.7Confident130 Ų13063 Ų6357%0.56533%0.328SS*.EExtended strand (participates in β ladder)trans-130.7125.4176.6-72-174.2179.2-179.70108.3G132 H133 F135K130-G132 PolarHBondContact O-N 3.03Å; K130-G132 VanDerWaalsContact O-N 3.15Å; K130-H133 PolarHBondContact N-O 2.71Å; K130-H133 PolarHBondContact O-N 3.09Å; K130-H133 VanDerWaalsContact O-O 3.12Å; K130-F135 HydrophobicContact CB-CD2 4.21Å; K130-F135 HydrophobicContact CB-CE2 4.04Å
131E63.5Low72Confident197 Ų19763.7 Ų63.792%0.92134%0.338SS*.THydrogen-bonded Turntrans52.837174-59.4-179.2176.400114.1H133E131-H133 VanDerWaalsContact C-N 3.3Å; E131-H133 PolarHBondContact O-CD2 3.23Å; E131-H133 PolarHBondContact O-N 3.16Å
132G66.8Low71.4Confident64 Ų6461.3 Ų61.366%0.6633%0.326SS*.THydrogen-bonded Turntrans83.5-4179.700000115.2K130K130-G132 PolarHBondContact O-N 3.03Å; K130-G132 VanDerWaalsContact O-N 3.15Å
133H70.6Confident70.6Confident104 Ų10461 Ų6148%0.48132%0.323SS..EExtended strand (participates in β ladder)trans-106.1138.8175.8-65.3-92.7000111.1E100 E129 K130 E131 F135E100-H133 IonicContact OE1-CG 3.86Å; E100-H133 IonicContact OE1-ND1 3.27Å; E100-H133 PolarHBondContact OE1-ND1 2.79Å; E129-H133 WeakPolarHBondContact CA-O 3.37Å; K130-H133 PolarHBondContact N-O 2.71Å; K130-H133 PolarHBondContact O-N 3.09Å; K130-H133 VanDerWaalsContact O-O 3.12Å; E131-H133 VanDerWaalsContact C-N 3.3Å; E131-H133 PolarHBondContact O-CD2 3.23Å; E131-H133 PolarHBondContact O-N 3.16Å; H133-F135 HydrophobicContact CB-CE2 3.66Å; H133-F135 HydrophobicContact CB-CZ 3.99Å; H133-F135 WeakPolarHBondContact O-CD2 3.2Å
134K75.1Confident69.1Low44 Ų4470.1 Ų70.119%0.19136%0.362CS..EExtended strand (participates in β ladder)trans-98125.6178.3-69.7-174.7-170.4152.70111.3V101 D104 T127 E129V101-K134 PolarHBondContact N-O 2.89Å; V101-K134 VanDerWaalsContact N-O 3.14Å; D104-K134 IonicContact OD1-NZ 3.9Å; D104-K134 WeakPolarHBondContact OD2-CD 3.46Å; D104-K134 WeakPolarHBondContact OD2-CE 3.41Å; D104-K134 IonicContact OD2-NZ 2.67Å; D104-K134 PolarHBondContact OD2-NZ 3.21Å; T127-K134 HydrophobicContact CG2-CB 4.43Å; E129-K134 HydrophobicContact CB-CG 4.26Å; E129-K134 HydrophobicContact CG-CG 4.05Å; E129-K134 WeakPolarHBondContact OE2-CE 3.5Å
135F78.2Confident67.3Low43 Ų4375 Ų7519%0.18938%0.382CS..EExtended strand (participates in β ladder)trans-113.1141.3179.5-61.8-92.4000110.5I99 E100 T127 E128 K130 H133 V137I99-F135 CarbonylContact O-C 3.5Å; I99-F135 VanDerWaalsContact O-CA 3.28Å; I99-F135 WeakPolarHBondContact O-CA 3.23Å; E100-F135 HydrophobicContact CB-CD1 3.79Å; E100-F135 HydrophobicContact CB-CE1 3.56Å; E100-F135 HydrophobicContact CB-CZ 4.46Å; E100-F135 HydrophobicContact CG-CD1 4.13Å; E100-F135 HydrophobicContact CG-CE1 3.64Å; E100-F135 HydrophobicContact CG-CZ 4.06Å; T127-F135 CarbonylContact C-O 3.54Å; T127-F135 WeakPolarHBondContact CA-O 3.43Å; E128-F135 PolarHBondContact N-O 2.92Å; E128-F135 PolarHBondContact O-N 2.93Å; K130-F135 HydrophobicContact CB-CD2 4.21Å; K130-F135 HydrophobicContact CB-CE2 4.04Å; H133-F135 HydrophobicContact CB-CE2 3.66Å; H133-F135 HydrophobicContact CB-CZ 3.99Å; H133-F135 WeakPolarHBondContact O-CD2 3.2Å; F135-V137 HydrophobicContact CB-CG2 4.49Å
136I77.4Confident65.3Low0 Ų077.6 Ų77.60%041%0.406CS..EExtended strand (participates in β ladder)trans-98.5109.4167.4-65.2175.1000107.4I99 V101 R109 V112 I116 T125I99-I136 PolarHBondContact N-O 3.39Å; I99-I136 PolarHBondContact O-N 3.05Å; V101-I136 HydrophobicContact CG2-CD1 3.82Å; V101-I136 HydrophobicContact CG2-CG1 4.02Å; R109-I136 HydrophobicContact CB-CD1 4.27Å; R109-I136 HydrophobicContact CG-CD1 4.29Å; V112-I136 HydrophobicContact CB-CD1 3.46Å; V112-I136 VanDerWaalsContact CB-CD1 3.46Å; V112-I136 HydrophobicContact CG1-CB 4.36Å; V112-I136 HydrophobicContact CG1-CD1 3.5Å; V112-I136 HydrophobicContact CG1-CG2 4.26Å; V112-I136 HydrophobicContact CG2-CD1 4.05Å; I116-I136 HydrophobicContact CD1-CG2 4.11Å; T125-I136 HydrophobicContact CG2-CG2 4.25Å
137V75.8Confident63.2Low10 Ų1081.5 Ų81.56%0.06143%0.431CS..EExtended strand (participates in β ladder)trans-94.1112.5-179.1-174.60000108.7N96 V97 T125 K126 E128 F135N96-V137 HydrophobicContact CB-CG1 3.66Å; V97-V137 CarbonylContact O-C 3.15Å; V97-V137 WeakPolarHBondContact O-CA 3.41Å; T125-V137 CarbonylContact C-O 3.57Å; T125-V137 WeakPolarHBondContact CA-O 3.32Å; K126-V137 PolarHBondContact N-O 3.45Å; K126-V137 PolarHBondContact O-N 3.41Å; E128-V137 HydrophobicContact CB-CG2 4.17Å; E128-V137 HydrophobicContact CG-CG2 4.06Å; F135-V137 HydrophobicContact CB-CG2 4.49Å
138A74.8Confident60.8Low0 Ų083 Ų830%045%0.449CS..EExtended strand (participates in β ladder)trans-89.1129.717100000110.1L84 N96 V97 E124 T125L84-A138 HydrophobicContact CD2-CB 3.37Å; N96-A138 WeakPolarHBondContact CA-O 3.41Å; V97-A138 PolarHBondContact N-O 2.86Å; V97-A138 PolarHBondContact O-N 3.49Å; E124-A138 CarbonylContact O-C 3.53Å; E124-A138 WeakPolarHBondContact O-CA 3.32Å; T125-A138 HydrophobicContact CG2-CB 3.89Å
139Y70.3Confident58.9Low73 Ų7387 Ų8729%0.28648%0.477SS..EExtended strand (participates in β ladder)trans-139.6160.3178.356.3-85000110.3L123 E124 K126L123-Y139 CarbonylContact C-O 3.57Å; L123-Y139 WeakPolarHBondContact CA-O 3.3Å; E124-Y139 HydrophobicContact CB-CD2 4.05Å; E124-Y139 HydrophobicContact CB-CE1 4.25Å; E124-Y139 HydrophobicContact CB-CE2 3.52Å; E124-Y139 PolarHBondContact N-O 3.13Å; E124-Y139 WeakPolarHBondContact O-CD1 3.22Å; E124-Y139 PolarHBondContact O-N 3.33Å; E124-Y139 VanDerWaalsContact O-O 3.1Å; E124-Y139 WeakPolarHBondContact OE2-CE2 3.43Å; K126-Y139 HydrophobicContact CB-CE1 3.72Å
140H65.8Low56.7Low28 Ų2885.4 Ų85.413%0.1348%0.48CS..EExtended strand (participates in β ladder)trans-74.8132.7177.3-156.8-71.8000110.3L87 A142 G143L87-H140 HydrophobicContact CD2-CB 4.48Å; H140-A142 WeakPolarHBondContact ND1-CB 3.3Å; H140-A142 PolarHBondContact ND1-N 3.24Å; H140-A142 PolarHBondContact O-N 3.01Å; H140-G143 PolarHBondContact O-N 3.37Å
141A55.6Low54.8Low37 Ų3786 Ų8631%0.30650%0.495SS..THydrogen-bonded Turntrans-56.1-9.9178.400000114.9G122 E124G122-A141 PolarHBondContact O-N 2.91Å; E124-A141 HydrophobicContact CG-CB 3.83Å; E124-A141 WeakPolarHBondContact OE1-CB 3.4Å
142A53.2Low53.4Low39 Ų3985.3 Ų85.332%0.32249%0.489SS..THydrogen-bonded Turntrans-88.3-6.3179.100000113.4H140H140-A142 WeakPolarHBondContact ND1-CB 3.3Å; H140-A142 PolarHBondContact ND1-N 3.24Å; H140-A142 PolarHBondContact O-N 3.01Å
143G46.4Very low51.8Low33 Ų3386.4 Ų86.434%0.3449%0.492SS..SBendtrans-83.5-22.4-16600000116.9K93 H140K93-G143 WeakPolarHBondContact O-CA 3.46Å; H140-G143 PolarHBondContact O-N 3.37Å
144K39.9Very low50.3Low203 Ų20387.6 Ų87.688%0.88351%0.509SS*.SBendtrans-1422.3-177.7-82-170.9176.4175.40118
145K36.1Very low48.8Very low196 Ų19697 Ų9785%0.85254%0.543SS*.  trans-139.548.4178.1-77.7-172.8176.8177.20114.4
146A36.9Very low47Very low86 Ų86104.7 Ų104.771%0.71158%0.577SS**  trans-115.330.6174.300000113.6
147L34Very low45.8Very low184 Ų184111.6 Ų111.696%0.96361%0.609SS**SBendtrans-117.92.8170.3-111.7123.6000114.2
148A29.8Very low44.9Very low82 Ų82120.1 Ų120.168%0.67865%0.645SS**SBendtrans-130.3103.2172.200000110
149V37.6Very low44.8Very low142 Ų142122 Ų12286%0.86165%0.652SS**  trans43.496.7151.3-168.10000116.4
150S29.8Very low45.1Very low98 Ų98120.3 Ų120.369%0.68565%0.65SS**  trans-148.6103.7149.8179.90000110.1K152S150-K152 PolarHBondContact O-N 3.32Å
151T32.4Very low45.3Very low144 Ų144128.8 Ų128.888%0.88369%0.687SS**  trans-73.333.5172.1380000112.8
152K35.1Very low46.2Very low181 Ų181134.3 Ų134.379%0.78771%0.711SS**  trans-108.7124.4177.1-75.7-174.8177.5178.20111.4S150S150-K152 PolarHBondContact O-N 3.32Å
153A33.2Very low47.4Very low87 Ų87134.2 Ų134.272%0.71970%0.703SS**PPolyproline II helixtrans-46.2148.3-177.600000113.7R155A153-R155 PolarHBondContact O-N 2.87Å
154P39Very low49.2Very low130 Ų130133.1 Ų133.184%0.84469%0.691SS**PPolyproline II helixtrans-57.3125.6177.822.6-31.6000110.5K156P154-K156 PolarHBondContact O-N 3.15Å
155R43.4Very low51.5Low240 Ų240125.5 Ų125.591%0.90666%0.663SS**PPolyproline II helixtrans-52.2126-179-73.4179.8174135-2.3110.2A153 H157A153-R155 PolarHBondContact O-N 2.87Å; R155-H157 PolarHBondContact O-N 3.21Å
156K40.1Very low54.1Low206 Ų206118.5 Ų118.590%0.89663%0.632SS**PPolyproline II helixtrans-49.6122.2179.6-80.2176.1174.2174.90110P154 F158P154-K156 PolarHBondContact O-N 3.15Å; K156-F158 PolarHBondContact O-N 3.42Å; K156-F158 VanDerWaalsContact O-N 3.14Å
157H52.8Low56.8Low144 Ų144114.4 Ų114.467%0.66760%0.598SS**PPolyproline II helixtrans-55119.3162.3-88.8-81.9000107.9R155 W159R155-H157 PolarHBondContact O-N 3.21Å; H157-W159 PolarHBondContact O-N 2.83Å
158F56.8Low59.6Low189 Ų189105.7 Ų105.783%0.82955%0.552SS**  trans-70.5109.5174.5-172.9-101.7000107.5K156K156-F158 PolarHBondContact O-N 3.42Å; K156-F158 VanDerWaalsContact O-N 3.14Å
159W73.3Confident62.7Low40 Ų40101.9 Ų101.915%0.15252%0.52CS..  trans-101.5119.5171.3-170.8-89.5000106.9H157 K161 R163 G164 K216 I217 T218 Y239H157-W159 PolarHBondContact O-N 2.83Å; W159-K161 PolarHBondContact O-N 3.24Å; W159-R163 HydrophobicContact CZ2-CG 4.02Å; W159-R163 PolarHBondContact NE1-O 2.97Å; W159-G164 WeakPolarHBondContact CZ2-O 3.4Å; W159-G164 PolarHBondContact NE1-O 3.12Å; W159-K216 HydrophobicContact CD2-CB 4.07Å; W159-K216 HydrophobicContact CD2-CG 4.07Å; W159-K216 HydrophobicContact CE3-CB 3.9Å; W159-K216 HydrophobicContact CE3-CG 4.41Å; W159-K216 HydrophobicContact CG-CG 4.21Å; W159-K216 HydrophobicContact CZ3-CB 4.27Å; W159-I217 WeakPolarHBondContact CH2-O 3.46Å; W159-I217 VanDerWaalsContact CZ3-N 3.32Å; W159-T218 HydrophobicContact CZ3-CG2 4.05Å; W159-Y239 HydrophobicContact CH2-CD1 4.27Å; W159-Y239 AromaticContact CH2-CE1 3.93Å; W159-Y239 HydrophobicContact CH2-CE1 3.93Å; W159-Y239 HydrophobicContact CZ2-CD1 4.13Å; W159-Y239 HydrophobicContact CZ2-CE1 4.22Å
160P76.6Confident65.4Low37 Ų3795.2 Ų95.224%0.2448%0.48CS..  trans-57132.2-179.5-24.534.1000110.4N162 R163P160-N162 PolarHBondContact O-N 2.77Å; P160-R163 HydrophobicContact CB-CB 4.02Å; P160-R163 HydrophobicContact CG-CB 4.45Å; P160-R163 WeakPolarHBondContact O-CB 3.34Å; P160-R163 PolarHBondContact O-N 2.92Å; P160-R163 VanDerWaalsContact O-N 3.09Å
161K69.8Low68.5Low207 Ų20790.6 Ų90.690%0.945%0.448SS*.THydrogen-bonded Turntrans-65.1-28.4-179.6-68.8-177-178.7176.50112.3W159 R163W159-K161 PolarHBondContact O-N 3.24Å; K161-R163 PolarHBondContact O-N 2.78Å
162N73.9Confident71.5Confident153 Ų15383.8 Ų83.882%0.81841%0.406SS*.THydrogen-bonded Turntrans-77.3-11.4177.1-63.8-1.1000112.5P160P160-N162 PolarHBondContact O-N 2.77Å
163R78.7Confident74.3Confident37 Ų3775.2 Ų75.214%0.1437%0.369CS..SBendtrans-92.5132.1178.3-169.9179.8-56.5-168.515.5110.4D59 W159 P160 K161 S165 Y239D59-R163 IonicContact OD1-CZ 2.91Å; D59-R163 IonicContact OD1-NE 3.76Å; D59-R163 IonicContact OD1-NH1 2.97Å; D59-R163 PolarHBondContact OD1-NH1 3.42Å; D59-R163 IonicContact OD1-NH2 2.74Å; D59-R163 PolarHBondContact OD1-NH2 2.98Å; D59-R163 IonicContact OD2-CZ 3.58Å; D59-R163 IonicContact OD2-NH1 3.74Å; D59-R163 IonicContact OD2-NH2 2.68Å; D59-R163 PolarHBondContact OD2-NH2 2.9Å; W159-R163 HydrophobicContact CZ2-CG 4.02Å; W159-R163 PolarHBondContact NE1-O 2.97Å; P160-R163 HydrophobicContact CB-CB 4.02Å; P160-R163 HydrophobicContact CG-CB 4.45Å; P160-R163 WeakPolarHBondContact O-CB 3.34Å; P160-R163 PolarHBondContact O-N 2.92Å; P160-R163 VanDerWaalsContact O-N 3.09Å; K161-R163 PolarHBondContact O-N 2.78Å; R163-S165 PolarHBondContact O-N 3.01Å; R163-Y239 HydrophobicContact CG-CD1 3.9Å; R163-Y239 HydrophobicContact CG-CD2 3.87Å; R163-Y239 HydrophobicContact CG-CE1 4.36Å; R163-Y239 HydrophobicContact CG-CE2 4.32Å; R163-Y239 HydrophobicContact CG-CG 3.64Å; R163-Y239 PolarHBondContact NH1-OH 3.13Å
164G83.9Confident77.2Confident9 Ų972.4 Ų72.49%0.09334%0.341CS..  trans-48.4136.8174.600000112.3W159 Y166 K240 N241W159-G164 WeakPolarHBondContact CZ2-O 3.4Å; W159-G164 PolarHBondContact NE1-O 3.12Å; G164-Y166 PolarHBondContact O-N 3.34Å; G164-K240 CarbonylContact C-O 3.55Å; G164-K240 VanDerWaalsContact C-O 3.25Å; G164-K240 WeakPolarHBondContact CA-O 3.28Å; G164-N241 VanDerWaalsContact CA-OD1 3.29Å; G164-N241 WeakPolarHBondContact CA-OD1 3.46Å
165S88.7Confident79.6Confident43 Ų4369.6 Ų69.630%0.30132%0.318SS..SBendtrans-65.8-20.8-175.2-72.40000113.9R163 K216 K240R163-S165 PolarHBondContact O-N 3.01Å; S165-K216 PolarHBondContact O-N 2.89Å; S165-K240 PolarHBondContact N-O 3.05Å; S165-K240 VanDerWaalsContact N-O 3.15Å
166Y91.1Very high81.6Confident50 Ų5060.3 Ų60.320%0.19629%0.285CS..EExtended strand (participates in β ladder)trans-115.5131-177.9-64.9-90.9000110.6G164 V214 L215 Y239 K240 N241 P243G164-Y166 PolarHBondContact O-N 3.34Å; Y166-V214 WeakPolarHBondContact CA-O 3.41Å; Y166-L215 HydrophobicContact CD1-CB 4.2Å; Y166-L215 HydrophobicContact CD1-CD1 4.2Å; Y166-L215 HydrophobicContact CE1-CB 3.93Å; Y166-L215 HydrophobicContact CE1-CD1 3.72Å; Y166-L215 HydrophobicContact CE1-CG 4.39Å; Y166-L215 HydrophobicContact CE2-CD1 4.14Å; Y166-Y239 CarbonylContact O-C 3.58Å; Y166-Y239 WeakPolarHBondContact O-CA 3.22Å; Y166-K240 PolarHBondContact N-O 3.04Å; Y166-K240 PolarHBondContact O-N 3.5Å; Y166-K240 VanDerWaalsContact O-O 3.14Å; Y166-N241 WeakPolarHBondContact CD2-O 3.41Å; Y166-P243 HydrophobicContact CD1-CB 4.22Å; Y166-P243 HydrophobicContact CE1-CB 3.75Å; Y166-P243 HydrophobicContact CE2-CB 4.39Å; Y166-P243 HydrophobicContact CE2-CG 4.48Å
167C91.9Very high84Confident0 Ų052.9 Ų52.90%026%0.255CS..EExtended strand (participates in β ladder)trans-90.4114.3166.3-178.20000108.3A213 V214 I217 L222 C238 Y239C167-A213 CarbonylContact O-C 3.19Å; C167-A213 WeakPolarHBondContact O-CA 3.37Å; C167-V214 HydrophobicContact CB-CG1 3.98Å; C167-V214 PolarHBondContact N-O 3.46Å; C167-V214 PolarHBondContact O-N 3.1Å; C167-I217 WeakPolarHBondContact CB-O 3.44Å; C167-L222 HydrophobicContact CB-CD1 4.49Å; C167-C238 CarbonylContact C-O 3.18Å; C167-Y239 HydrophobicContact CB-CD1 3.96Å; C167-Y239 HydrophobicContact CB-CE1 3.9Å
168H94.1Very high85.7Confident0 Ų046 Ų460%022%0.223CC..EExtended strand (participates in β ladder)trans-88.6139.1171.2-75.7-121.7000109.2E211 I212 F237 C238 K240 H242H168-E211 IonicContact CE1-OE1 3.73Å; H168-E211 IonicContact CG-OE1 2.85Å; H168-E211 IonicContact ND1-OE1 3.05Å; H168-E211 PolarHBondContact ND1-OE1 3.48Å; H168-I212 CarbonylContact C-O 3.33Å; H168-I212 VanDerWaalsContact CA-O 3.29Å; H168-I212 WeakPolarHBondContact CA-O 3.3Å; H168-F237 CarbonylContact O-C 3.59Å; H168-F237 WeakPolarHBondContact O-CA 3.35Å; H168-C238 WeakPolarHBondContact CB-SG 3.47Å; H168-C238 PolarHBondContact N-O 3.34Å; H168-C238 PolarHBondContact O-N 3.4Å; H168-K240 HydrophobicContact CB-CD 4.47Å; H168-H242 AromaticContact CE1-CE1 3.94Å; H168-H242 PolarHBondContact NE2-O 3.32Å
169F94.1Very high87.2Confident2 Ų240.2 Ų40.21%0.00920%0.199CC..EExtended strand (participates in β ladder)trans-150.9152.8178.360.6-89.5000110.7L171 L185 F196 I212 V214 L222 L234 G235 F237F169-L171 HydrophobicContact CD2-CB 4.46Å; F169-L171 HydrophobicContact CE2-CB 4.17Å; F169-L185 HydrophobicContact CE2-CD1 4.46Å; F169-L185 HydrophobicContact CZ-CD1 4.3Å; F169-F196 HydrophobicContact CZ-CD1 4.5Å; F169-F196 HydrophobicContact CZ-CE1 4.37Å; F169-I212 HydrophobicContact CD2-CB 4.22Å; F169-I212 HydrophobicContact CE1-CB 4.01Å; F169-I212 HydrophobicContact CE1-CG2 3.81Å; F169-I212 HydrophobicContact CE2-CB 3.66Å; F169-I212 HydrophobicContact CE2-CG1 4.13Å; F169-I212 HydrophobicContact CE2-CG2 4Å; F169-I212 HydrophobicContact CZ-CB 3.56Å; F169-I212 HydrophobicContact CZ-CG1 4.38Å; F169-I212 HydrophobicContact CZ-CG2 3.39Å; F169-I212 PolarHBondContact N-O 3.21Å; F169-I212 PolarHBondContact O-N 3.42Å; F169-V214 HydrophobicContact CD1-CG1 4.36Å; F169-V214 HydrophobicContact CE1-CB 4.22Å; F169-V214 HydrophobicContact CE1-CG1 3.84Å; F169-L222 HydrophobicContact CD1-CD1 3.69Å; F169-L222 HydrophobicContact CE1-CD1 3.98Å; F169-L222 HydrophobicContact CE1-CD2 4.4Å; F169-L222 HydrophobicContact CG-CD1 4.33Å; F169-L234 HydrophobicContact CD2-CB 4.35Å; F169-L234 HydrophobicContact CD2-CD2 3.96Å; F169-L234 HydrophobicContact CE2-CD2 3.66Å; F169-G235 CarbonylContact C-O 3.59Å; F169-G235 WeakPolarHBondContact CA-O 3.42Å; F169-G235 WeakPolarHBondContact CB-O 3.35Å; F169-F237 HydrophobicContact CB-CD1 3.58Å; F169-F237 HydrophobicContact CB-CE1 3.83Å; F169-F237 HydrophobicContact CG-CD1 4.47Å; F169-F237 HydrophobicContact CG-CE1 4.42Å
170A95Very high87.8Confident3 Ų341.9 Ų41.93%0.02521%0.211CC..EExtended strand (participates in β ladder)trans-78.4124.1168.100000109.5V49 L51 V209 L234 G235 N236V49-A170 HydrophobicContact CG1-CB 3.92Å; L51-A170 HydrophobicContact CD1-CB 4.13Å; A170-V209 HydrophobicContact CB-CG1 4.37Å; A170-L234 WeakPolarHBondContact O-CA 3.32Å; A170-G235 PolarHBondContact N-O 3.39Å; A170-G235 PolarHBondContact O-N 3.1Å; A170-N236 HydrophobicContact CB-CB 3.95Å
171L95.1Very high88.5Confident0 Ų040.1 Ų40.10%020%0.2CC..EExtended strand (participates in β ladder)trans-100.7109.3172.4174.165.6000109F169 A181 V209 Q210 I212 L232 L234F169-L171 HydrophobicContact CD2-CB 4.46Å; F169-L171 HydrophobicContact CE2-CB 4.17Å; L171-A181 HydrophobicContact CD2-CB 3.97Å; L171-V209 WeakPolarHBondContact O-CA 3.13Å; L171-Q210 HydrophobicContact CB-CG 4.26Å; L171-Q210 HydrophobicContact CD2-CG 4.45Å; L171-Q210 PolarHBondContact N-O 3.45Å; L171-Q210 PolarHBondContact O-N 2.76Å; L171-Q210 VanDerWaalsContact O-N 3.08Å; L171-I212 HydrophobicContact CB-CG1 3.61Å; L171-I212 HydrophobicContact CD2-CD1 4.15Å; L171-I212 HydrophobicContact CD2-CG1 3.82Å; L171-I212 HydrophobicContact CG-CG1 4.36Å; L171-L232 HydrophobicContact CD1-CD2 4.3Å; L171-L234 HydrophobicContact CD1-CD2 3.4Å
172Y95.4Very high89.6Confident2 Ų230.4 Ų30.41%0.00816%0.157CC..EExtended strand (participates in β ladder)trans-88.8128.3165.6175.8-85000109.2L51 E174 I207 V209 L232 K233 D512 F513L51-Y172 HydrophobicContact CD2-CG 4.18Å; Y172-E174 HydrophobicContact CD1-CG 4.29Å; Y172-E174 HydrophobicContact CE1-CG 3.36Å; Y172-E174 VanDerWaalsContact CE1-OE1 3.27Å; Y172-E174 WeakPolarHBondContact CE1-OE1 3.4Å; Y172-E174 PolarHBondContact OH-OE1 3.46Å; Y172-I207 HydrophobicContact CD2-CG2 4.16Å; Y172-I207 HydrophobicContact CE2-CG2 3.3Å; Y172-I207 WeakPolarHBondContact OH-CG2 3.48Å; Y172-V209 HydrophobicContact CD2-CG2 3.74Å; Y172-L232 CarbonylContact O-C 3.46Å; Y172-L232 WeakPolarHBondContact O-CA 3.31Å; Y172-K233 HydrophobicContact CD1-CB 4.18Å; Y172-K233 HydrophobicContact CD1-CG 4.35Å; Y172-K233 PolarHBondContact N-O 2.8Å; Y172-K233 PolarHBondContact O-N 3.49Å; Y172-D512 HydrophobicContact CD2-CB 4.38Å; Y172-D512 HydrophobicContact CE2-CB 4.44Å; Y172-F513 HydrophobicContact CE1-CB 3.92Å; Y172-F513 HydrophobicContact CE2-CB 4.09Å
173K94.3Very high90.3Very high0 Ų025.9 Ų25.90%013%0.133CC..EExtended strand (participates in β ladder)trans-137144.1177.665.2177.1-172.756.80112.1K176 T178 D203 I207 T208 L232K173-K176 HydrophobicContact CB-CB 4.47Å; K173-K176 WeakPolarHBondContact CD-O 3.29Å; K173-K176 VanDerWaalsContact CE-O 3.29Å; K173-K176 WeakPolarHBondContact CE-O 3.26Å; K173-K176 PolarHBondContact NZ-O 2.89Å; K173-T178 WeakPolarHBondContact CE-OG1 3.24Å; K173-D203 PolarHBondContact NZ-O 2.94Å; K173-I207 WeakPolarHBondContact O-CA 3.41Å; K173-T208 WeakPolarHBondContact CD-OG1 3.44Å; K173-T208 WeakPolarHBondContact CE-OG1 3.37Å; K173-T208 WeakPolarHBondContact CG-OG1 3.34Å; K173-T208 PolarHBondContact N-O 2.89Å; K173-T208 PolarHBondContact NZ-OG1 2.79Å; K173-T208 PolarHBondContact O-N 3.17Å; K173-L232 HydrophobicContact CB-CD2 3.41Å; K173-L232 VanDerWaalsContact CB-CD2 3.41Å
174E92.4Very high90.8Very high29 Ų2926 Ų2614%0.13614%0.138CC..EExtended strand (participates in β ladder)trans-121.2127.4176.9-51.6178.2154.100110.5Y34 Y172 K176 I207 N231Y34-E174 HydrophobicContact CD2-CB 4.33Å; Y34-E174 HydrophobicContact CE2-CB 4.02Å; Y34-E174 HydrophobicContact CE2-CG 4.49Å; Y172-E174 HydrophobicContact CD1-CG 4.29Å; Y172-E174 HydrophobicContact CE1-CG 3.36Å; Y172-E174 VanDerWaalsContact CE1-OE1 3.27Å; Y172-E174 WeakPolarHBondContact CE1-OE1 3.4Å; Y172-E174 PolarHBondContact OH-OE1 3.46Å; E174-K176 PolarHBondContact O-N 2.87Å; E174-I207 HydrophobicContact CG-CG1 4.31Å; E174-N231 HydrophobicContact CB-CB 4.12Å; E174-N231 PolarHBondContact N-O 3.38Å
175N89.3Confident91.1Very high70 Ų7025.7 Ų25.737%0.37413%0.134SC..SBendtrans52.130.2177-161.423.9000114.7Y34 K204 A206Y34-N175 HydrophobicContact CD1-CB 4.29Å; Y34-N175 HydrophobicContact CG-CB 4.24Å; N175-K204 CarbonylContact C-O 3.49Å; N175-K204 WeakPolarHBondContact CA-O 3.14Å; N175-A206 PolarHBondContact N-O 3.39Å; N175-A206 VanDerWaalsContact N-O 3.08Å
176K87.4Confident91.1Very high46 Ų4623.9 Ų23.920%0.212%0.122CC..  trans-130.4146.6-175.8-83.7-178.3173.9175.70111.6K173 E174 K204 M230 N231 L232K173-K176 HydrophobicContact CB-CB 4.47Å; K173-K176 WeakPolarHBondContact CD-O 3.29Å; K173-K176 VanDerWaalsContact CE-O 3.29Å; K173-K176 WeakPolarHBondContact CE-O 3.26Å; K173-K176 PolarHBondContact NZ-O 2.89Å; E174-K176 PolarHBondContact O-N 2.87Å; K176-K204 PolarHBondContact N-O 3.36Å; K176-K204 VanDerWaalsContact N-O 3.14Å; K176-M230 PolarHBondContact NZ-O 3.32Å; K176-N231 HydrophobicContact CD-CB 4.47Å; K176-L232 HydrophobicContact CD-CD1 4.05Å; K176-L232 HydrophobicContact CD-CD2 3.79Å; K176-L232 HydrophobicContact CD-CG 3.82Å
177D88.8Confident90.9Very high49 Ų4929.6 Ų29.626%0.26215%0.148SC..  trans-76.6149.8170.9-171.5-86.8000110.7M179 D180 A181D177-M179 VanDerWaalsContact C-N 3.31Å; D177-M179 PolarHBondContact O-N 3.47Å; D177-M179 WeakPolarHBondContact OD1-CB 3.16Å; D177-M179 PolarHBondContact OD1-N 2.92Å; D177-D180 HydrophobicContact CB-CB 4.09Å; D177-D180 PolarHBondContact O-N 3.27Å; D177-A181 PolarHBondContact O-N 3.02Å
178T89.8Confident90.6Very high0 Ų034.9 Ų34.90%017%0.171CC..Hα-helixtrans-58.5-41.9177.3-54.20000111.6K173 A181 I182 Y198 K202 Q210 I212K173-T178 WeakPolarHBondContact CE-OG1 3.24Å; T178-A181 PolarHBondContact O-N 3.37Å; T178-I182 HydrophobicContact CG2-CD1 4.08Å; T178-I182 WeakPolarHBondContact O-CG1 3.5Å; T178-I182 PolarHBondContact O-N 3.22Å; T178-Y198 HydrophobicContact CG2-CG 4.49Å; T178-K202 PolarHBondContact OG1-N 3Å; T178-K202 VanDerWaalsContact OG1-N 3.1Å; T178-Q210 PolarHBondContact OG1-OE1 2.95Å; T178-I212 HydrophobicContact CG2-CD1 4.42Å
179M87.4Confident90.2Very high68 Ų6835.3 Ų35.334%0.33517%0.173SC..Hα-helixtrans-70.1-34.8178.3-68.8-60.3-6200112.2D177 A181 I182 N183 Y198D177-M179 VanDerWaalsContact C-N 3.31Å; D177-M179 PolarHBondContact O-N 3.47Å; D177-M179 WeakPolarHBondContact OD1-CB 3.16Å; D177-M179 PolarHBondContact OD1-N 2.92Å; M179-A181 VanDerWaalsContact C-N 3.35Å; M179-I182 PolarHBondContact O-N 3.28Å; M179-I182 HydrophobicContact SD-CD1 4.26Å; M179-N183 WeakPolarHBondContact O-CB 3.19Å; M179-N183 PolarHBondContact O-N 3.33Å; M179-N183 PolarHBondContact O-ND2 3.06Å; M179-Y198 HydrophobicContact SD-CE1 3.83Å; M179-Y198 PolarHBondContact SD-OH 3.23Å
180D87Confident89.8Confident75 Ų7546.4 Ų46.440%0.40122%0.215SC..Hα-helixtrans-63.5-43.2173.4-75.3-20000110.8D177 N183 V184D177-D180 HydrophobicContact CB-CB 4.09Å; D177-D180 PolarHBondContact O-N 3.27Å; D180-N183 PolarHBondContact O-N 3.08Å; D180-V184 VanDerWaalsContact O-CG2 3.32Å; D180-V184 WeakPolarHBondContact O-CG2 3.37Å; D180-V184 PolarHBondContact O-N 3.04Å
181A90.8Very high89.4Confident0 Ų048 Ų480%022%0.223CC..Hα-helixtrans-60.4-48.6174.500000111.5L171 D177 T178 M179 N183 V184 L185 L232L171-A181 HydrophobicContact CD2-CB 3.97Å; D177-A181 PolarHBondContact O-N 3.02Å; T178-A181 PolarHBondContact O-N 3.37Å; M179-A181 VanDerWaalsContact C-N 3.35Å; A181-N183 VanDerWaalsContact C-N 3.31Å; A181-N183 PolarHBondContact O-N 2.98Å; A181-V184 PolarHBondContact O-N 2.85Å; A181-L185 WeakPolarHBondContact O-CG 3.41Å; A181-L185 PolarHBondContact O-N 2.99Å; A181-L232 HydrophobicContact CB-CD1 4.17Å; A181-L232 HydrophobicContact CB-CD2 3.72Å
182I91.7Very high89Confident2 Ų257 Ų571%0.0126%0.257CS..Hα-helixtrans-59.9-40.8176.8-69166.5000111.4T178 M179 V184 L185 S186 P193 F196 Y198T178-I182 HydrophobicContact CG2-CD1 4.08Å; T178-I182 WeakPolarHBondContact O-CG1 3.5Å; T178-I182 PolarHBondContact O-N 3.22Å; M179-I182 PolarHBondContact O-N 3.28Å; M179-I182 HydrophobicContact SD-CD1 4.26Å; I182-V184 VanDerWaalsContact C-N 3.35Å; I182-V184 PolarHBondContact O-N 2.84Å; I182-L185 PolarHBondContact O-N 3.26Å; I182-S186 WeakPolarHBondContact O-CB 3.2Å; I182-S186 PolarHBondContact O-N 3.38Å; I182-S186 PolarHBondContact O-OG 3.25Å; I182-P193 HydrophobicContact CG2-CB 4.1Å; I182-F196 HydrophobicContact CD1-CB 4.34Å; I182-F196 HydrophobicContact CG1-CB 4.3Å; I182-F196 HydrophobicContact CG2-CB 3.84Å; I182-F196 HydrophobicContact CG2-CD2 3.73Å; I182-F196 HydrophobicContact CG2-CE2 4.48Å; I182-F196 HydrophobicContact CG2-CG 3.85Å; I182-Y198 HydrophobicContact CD1-CD1 3.45Å; I182-Y198 VanDerWaalsContact CD1-CD1 3.45Å; I182-Y198 HydrophobicContact CD1-CE1 3.56Å
183N89.1Confident88.5Confident58 Ų5859.5 Ų59.531%0.3127%0.273SS..Hα-helixtrans-64.6-38.9177.8-76.7-37.7000112.1M179 D180 A181 K187M179-N183 WeakPolarHBondContact O-CB 3.19Å; M179-N183 PolarHBondContact O-N 3.33Å; M179-N183 PolarHBondContact O-ND2 3.06Å; D180-N183 PolarHBondContact O-N 3.08Å; A181-N183 VanDerWaalsContact C-N 3.31Å; A181-N183 PolarHBondContact O-N 2.98Å; N183-K187 VanDerWaalsContact O-CG 3.32Å; N183-K187 WeakPolarHBondContact O-CG 3.37Å; N183-K187 PolarHBondContact O-N 3.32Å; N183-K187 VanDerWaalsContact O-N 3.1Å
184V89.4Confident88.1Confident41 Ų4165.5 Ų65.525%0.24831%0.306CS..Hα-helixtrans-64.7-49.9174.7171.60000110.2D180 A181 I182 S186 K187 F188 L229 L232D180-V184 VanDerWaalsContact O-CG2 3.32Å; D180-V184 WeakPolarHBondContact O-CG2 3.37Å; D180-V184 PolarHBondContact O-N 3.04Å; A181-V184 PolarHBondContact O-N 2.85Å; I182-V184 VanDerWaalsContact C-N 3.35Å; I182-V184 PolarHBondContact O-N 2.84Å; V184-S186 VanDerWaalsContact C-N 3.32Å; V184-S186 PolarHBondContact O-N 2.91Å; V184-K187 PolarHBondContact O-N 3.03Å; V184-F188 HydrophobicContact CG1-CD2 3.73Å; V184-F188 HydrophobicContact CG1-CE2 3.54Å; V184-F188 VanDerWaalsContact O-CD2 3.24Å; V184-F188 WeakPolarHBondContact O-CD2 3.35Å; V184-F188 PolarHBondContact O-N 3.17Å; V184-F188 VanDerWaalsContact O-N 3.13Å; V184-L229 HydrophobicContact CG1-CD2 3.93Å; V184-L232 HydrophobicContact CB-CD1 4.48Å; V184-L232 HydrophobicContact CG1-CD1 4.32Å
185L89.6Confident88Confident1 Ų166.6 Ų66.61%0.00531%0.312CS..Hα-helixtrans-59.9-42.1177.3-65.3176000112F169 A181 I182 K187 F188 L189 F196 L225 L229 L234F169-L185 HydrophobicContact CE2-CD1 4.46Å; F169-L185 HydrophobicContact CZ-CD1 4.3Å; A181-L185 WeakPolarHBondContact O-CG 3.41Å; A181-L185 PolarHBondContact O-N 2.99Å; I182-L185 PolarHBondContact O-N 3.26Å; L185-K187 VanDerWaalsContact C-N 3.33Å; L185-K187 PolarHBondContact O-N 3Å; L185-F188 PolarHBondContact O-N 2.86Å; L185-L189 WeakPolarHBondContact O-CB 3.24Å; L185-L189 WeakPolarHBondContact O-CG 3.4Å; L185-L189 PolarHBondContact O-N 3.31Å; L185-F196 HydrophobicContact CB-CE1 4.28Å; L185-F196 HydrophobicContact CB-CZ 3.99Å; L185-F196 HydrophobicContact CD1-CE1 4.37Å; L185-L225 HydrophobicContact CD2-CD1 4.11Å; L185-L229 HydrophobicContact CD2-CD1 3.89Å; L185-L229 HydrophobicContact CD2-CD2 4.21Å; L185-L234 HydrophobicContact CD1-CD2 4.23Å; L185-L234 HydrophobicContact CD2-CD1 3.85Å; L185-L234 HydrophobicContact CD2-CD2 4.38Å
186S89.4Confident88.1Confident6 Ų663.8 Ų63.84%0.04230%0.296CS..Hα-helixtrans-60.3-41177.2-64.80000112.1I182 V184 R190 L191 P193 F196I182-S186 WeakPolarHBondContact O-CB 3.2Å; I182-S186 PolarHBondContact O-N 3.38Å; I182-S186 PolarHBondContact O-OG 3.25Å; V184-S186 VanDerWaalsContact C-N 3.32Å; V184-S186 PolarHBondContact O-N 2.91Å; S186-R190 CarbonylContact O-C 3.5Å; S186-R190 VanDerWaalsContact O-CA 3.3Å; S186-R190 WeakPolarHBondContact O-CA 3.31Å; S186-R190 PolarHBondContact O-N 3Å; S186-L191 WeakPolarHBondContact CB-O 3.39Å; S186-L191 PolarHBondContact O-N 3.11Å; S186-P193 WeakPolarHBondContact OG-CA 3.4Å; S186-F196 VanDerWaalsContact OG-CE2 3.3Å; S186-F196 WeakPolarHBondContact OG-CE2 3.48Å
187K86.9Confident88.4Confident169 Ų16962.6 Ų62.674%0.73529%0.293SS*.Hα-helixtrans-66-46.2177.1-74.9174.2-178.1-178.40111.9N183 V184 L185 R190N183-K187 VanDerWaalsContact O-CG 3.32Å; N183-K187 WeakPolarHBondContact O-CG 3.37Å; N183-K187 PolarHBondContact O-N 3.32Å; N183-K187 VanDerWaalsContact O-N 3.1Å; V184-K187 PolarHBondContact O-N 3.03Å; L185-K187 VanDerWaalsContact C-N 3.33Å; L185-K187 PolarHBondContact O-N 3Å; K187-R190 PolarHBondContact O-N 3.49Å
188F86.7Confident88.6Confident111 Ų11162.5 Ų62.549%0.48729%0.29SS..Hα-helixtrans-66.2-41.2179-77.6-65.4000112.5V184 L185 R190 L225 L229V184-F188 HydrophobicContact CG1-CD2 3.73Å; V184-F188 HydrophobicContact CG1-CE2 3.54Å; V184-F188 VanDerWaalsContact O-CD2 3.24Å; V184-F188 WeakPolarHBondContact O-CD2 3.35Å; V184-F188 PolarHBondContact O-N 3.17Å; V184-F188 VanDerWaalsContact O-N 3.13Å; L185-F188 PolarHBondContact O-N 2.86Å; F188-R190 VanDerWaalsContact C-N 3.32Å; F188-L225 HydrophobicContact CB-CD1 4.35Å; F188-L225 HydrophobicContact CB-CD2 3.76Å; F188-L225 HydrophobicContact CG-CD2 4.16Å; F188-L229 HydrophobicContact CD2-CD2 4.31Å; F188-L229 HydrophobicContact CE2-CD2 4.2Å
189L85.2Confident88.6Confident10 Ų1062.7 Ų62.75%0.05229%0.29CS..Hα-helixtrans-83.5-8.2-179.3-65.4167.6000113.7L185 L191 F196 I217 R221 L222 L225L185-L189 WeakPolarHBondContact O-CB 3.24Å; L185-L189 WeakPolarHBondContact O-CG 3.4Å; L185-L189 PolarHBondContact O-N 3.31Å; L189-L191 VanDerWaalsContact C-N 3.29Å; L189-L191 HydrophobicContact CB-CB 4.48Å; L189-L191 HydrophobicContact CB-CD1 3.68Å; L189-L191 HydrophobicContact CB-CG 3.77Å; L189-L191 HydrophobicContact CD1-CD1 4.09Å; L189-L191 HydrophobicContact CG-CD1 4.49Å; L189-L191 PolarHBondContact O-N 3.41Å; L189-F196 HydrophobicContact CD1-CZ 3.97Å; L189-I217 HydrophobicContact CD2-CG2 4.49Å; L189-R221 HydrophobicContact CD2-CB 4.38Å; L189-R221 PolarHBondContact O-NH2 3.36Å; L189-L222 HydrophobicContact CD1-CD2 3.83Å; L189-L225 HydrophobicContact CD1-CD1 4.17Å; L189-L225 HydrophobicContact CD2-CD1 3.87Å; L189-L225 HydrophobicContact CG-CD1 3.86Å
190R86Confident88.6Confident234 Ų23460 Ų6088%0.88328%0.28SS*.THydrogen-bonded Turntrans5542.8-172.3-56.7-178.3-178.5-178.81.8112.4S186 K187 F188S186-R190 CarbonylContact O-C 3.5Å; S186-R190 VanDerWaalsContact O-CA 3.3Å; S186-R190 WeakPolarHBondContact O-CA 3.31Å; S186-R190 PolarHBondContact O-N 3Å; K187-R190 PolarHBondContact O-N 3.49Å; F188-R190 VanDerWaalsContact C-N 3.32Å
191L86.4Confident88.7Confident38 Ų3860.5 Ų60.520%0.19929%0.286CS..  trans-109.2162.3179.3-60.1174.3000111S186 L189 M195 F196 V214 I217S186-L191 WeakPolarHBondContact CB-O 3.39Å; S186-L191 PolarHBondContact O-N 3.11Å; L189-L191 VanDerWaalsContact C-N 3.29Å; L189-L191 HydrophobicContact CB-CB 4.48Å; L189-L191 HydrophobicContact CB-CD1 3.68Å; L189-L191 HydrophobicContact CB-CG 3.77Å; L189-L191 HydrophobicContact CD1-CD1 4.09Å; L189-L191 HydrophobicContact CG-CD1 4.49Å; L189-L191 PolarHBondContact O-N 3.41Å; L191-M195 HydrophobicContact CB-SD 4.15Å; L191-M195 HydrophobicContact CD2-CE 4.06Å; L191-M195 HydrophobicContact CD2-SD 3.92Å; L191-M195 HydrophobicContact CG-SD 4.5Å; L191-F196 HydrophobicContact CB-CE2 4.39Å; L191-F196 HydrophobicContact CD1-CE2 4.42Å; L191-F196 HydrophobicContact CD1-CZ 4.35Å; L191-V214 HydrophobicContact CD1-CG2 4.13Å; L191-I217 HydrophobicContact CD1-CD1 3.52Å; L191-I217 HydrophobicContact CD1-CG1 3.53Å; L191-I217 HydrophobicContact CD2-CD1 4.13Å; L191-I217 HydrophobicContact CG-CD1 4.33Å
192R85.4Confident88.6Confident187 Ų18761.2 Ų61.271%0.70629%0.289SS*.  trans-81.7139.4170.4-64.2-179.3-172.7158.11.3109N194 M195R192-N194 WeakPolarHBondContact CB-OD1 3.49Å; R192-N194 PolarHBondContact O-N 3.45Å; R192-N194 VanDerWaalsContact O-N 3.09Å; R192-M195 WeakPolarHBondContact O-CB 3.33Å; R192-M195 PolarHBondContact O-N 3.39Å
193P85.1Confident88.3Confident55 Ų5563.5 Ų63.536%0.35730%0.301SS..G310 helixtrans-56.8-26.9179.4-28.735.7000114.8I182 S186 M195 F196I182-P193 HydrophobicContact CG2-CB 4.1Å; S186-P193 WeakPolarHBondContact OG-CA 3.4Å; P193-M195 PolarHBondContact O-N 2.98Å; P193-F196 PolarHBondContact O-N 3.39Å; P193-F196 VanDerWaalsContact O-N 3.16Å
194N86.4Confident88.2Confident126 Ų12666 Ų6667%0.67431%0.31SS*.G310 helixtrans-70.5-8.4178.268.5-16.4000114.3R192 F196R192-N194 WeakPolarHBondContact CB-OD1 3.49Å; R192-N194 PolarHBondContact O-N 3.45Å; R192-N194 VanDerWaalsContact O-N 3.09Å; N194-F196 VanDerWaalsContact C-N 3.27Å
195M90.1Very high88Confident53 Ų5370 Ų7026%0.26132%0.32SS..G310 helixtrans-80.5-12.9172.4-63.9-178.664.100112.6L191 R192 P193 L215L191-M195 HydrophobicContact CB-SD 4.15Å; L191-M195 HydrophobicContact CD2-CE 4.06Å; L191-M195 HydrophobicContact CD2-SD 3.92Å; L191-M195 HydrophobicContact CG-SD 4.5Å; R192-M195 WeakPolarHBondContact O-CB 3.33Å; R192-M195 PolarHBondContact O-N 3.39Å; P193-M195 PolarHBondContact O-N 2.98Å; M195-L215 HydrophobicContact CB-CB 4.48Å; M195-L215 HydrophobicContact CE-CB 4.06Å; M195-L215 HydrophobicContact CE-CD2 4.29Å; M195-L215 HydrophobicContact CE-CG 4.39Å; M195-L215 WeakPolarHBondContact CE-O 3.4Å; M195-L215 PolarHBondContact O-N 2.94Å
196F92.6Very high88Confident11 Ų1170 Ų705%0.04832%0.32CS..EExtended strand (participates in β ladder)trans-92.4141.5172.8-65-91.8000109.7F169 I182 L185 S186 L189 L191 P193 N194 I212 A213 V214F169-F196 HydrophobicContact CZ-CD1 4.5Å; F169-F196 HydrophobicContact CZ-CE1 4.37Å; I182-F196 HydrophobicContact CD1-CB 4.34Å; I182-F196 HydrophobicContact CG1-CB 4.3Å; I182-F196 HydrophobicContact CG2-CB 3.84Å; I182-F196 HydrophobicContact CG2-CD2 3.73Å; I182-F196 HydrophobicContact CG2-CE2 4.48Å; I182-F196 HydrophobicContact CG2-CG 3.85Å; L185-F196 HydrophobicContact CB-CE1 4.28Å; L185-F196 HydrophobicContact CB-CZ 3.99Å; L185-F196 HydrophobicContact CD1-CE1 4.37Å; S186-F196 VanDerWaalsContact OG-CE2 3.3Å; S186-F196 WeakPolarHBondContact OG-CE2 3.48Å; L189-F196 HydrophobicContact CD1-CZ 3.97Å; L191-F196 HydrophobicContact CB-CE2 4.39Å; L191-F196 HydrophobicContact CD1-CE2 4.42Å; L191-F196 HydrophobicContact CD1-CZ 4.35Å; P193-F196 PolarHBondContact O-N 3.39Å; P193-F196 VanDerWaalsContact O-N 3.16Å; N194-F196 VanDerWaalsContact C-N 3.27Å; F196-I212 HydrophobicContact CD1-CG2 4.01Å; F196-A213 CarbonylContact C-O 3.55Å; F196-A213 WeakPolarHBondContact CA-O 3.43Å; F196-V214 HydrophobicContact CD1-CB 3.86Å; F196-V214 HydrophobicContact CD1-CG2 3.94Å; F196-V214 HydrophobicContact CE1-CB 3.79Å; F196-V214 HydrophobicContact CE1-CG2 3.61Å; F196-V214 HydrophobicContact CE2-CG2 4.37Å; F196-V214 HydrophobicContact CG-CG2 4.45Å; F196-V214 HydrophobicContact CZ-CG2 3.86Å
197S92.6Very high88.2Confident20 Ų2070 Ų7014%0.1432%0.32CS..EExtended strand (participates in β ladder)trans-132.5145.6178.760.70000109.9A213 L244S197-A213 PolarHBondContact N-O 3.27Å; S197-A213 PolarHBondContact O-N 2.95Å; S197-A213 WeakPolarHBondContact OG-CB 3.29Å; S197-A213 PolarHBondContact OG-O 3.42Å; S197-A213 VanDerWaalsContact OG-O 3.13Å; S197-L244 WeakPolarHBondContact CB-O 3.34Å; S197-L244 PolarHBondContact OG-N 3.37Å
198Y93.6Very high88.6Confident48 Ų4862 Ų6219%0.18829%0.285CS..EExtended strand (participates in β ladder)trans-152.6155.3-173.955.8-96.9000109.9T178 M179 I182 T201 L246T178-Y198 HydrophobicContact CG2-CG 4.49Å; M179-Y198 HydrophobicContact SD-CE1 3.83Å; M179-Y198 PolarHBondContact SD-OH 3.23Å; I182-Y198 HydrophobicContact CD1-CD1 3.45Å; I182-Y198 VanDerWaalsContact CD1-CD1 3.45Å; I182-Y198 HydrophobicContact CD1-CE1 3.56Å; Y198-T201 HydrophobicContact CE2-CG2 4.03Å; Y198-L246 HydrophobicContact CE2-CD1 4.22Å
199M90.3Very high89Confident3 Ų356.7 Ų56.72%0.01526%0.261CS..SBendtrans-85-26-178.6-64.4-179.4-75.500113E41 N43 E211 L244 K245 L246 G247 E248 L249E41-M199 HydrophobicContact CG-CE 4.26Å; E41-M199 VanDerWaalsContact OE2-CE 3.32Å; E41-M199 WeakPolarHBondContact OE2-CE 3.24Å; N43-M199 HydrophobicContact CB-CE 4.31Å; M199-E211 HydrophobicContact CE-CB 4.03Å; M199-L244 HydrophobicContact CE-CD2 4.27Å; M199-L244 HydrophobicContact CG-CB 4.04Å; M199-L244 HydrophobicContact CG-CD2 4.11Å; M199-L244 HydrophobicContact CG-CG 4.47Å; M199-L244 HydrophobicContact SD-CD2 4.13Å; M199-K245 WeakPolarHBondContact CA-O 3.32Å; M199-L246 WeakPolarHBondContact O-CA 3.48Å; M199-G247 PolarHBondContact O-N 3.25Å; M199-E248 HydrophobicContact CG-CB 4.25Å; M199-E248 HydrophobicContact SD-CB 4.11Å; M199-L249 HydrophobicContact CB-CB 4.06Å; M199-L249 HydrophobicContact CB-CD2 4.03Å; M199-L249 WeakPolarHBondContact O-CD2 3.2Å; M199-L249 HydrophobicContact SD-CB 4.33Å
200G87.3Confident89.5Confident11 Ų1156.2 Ų56.211%0.11326%0.259CS..  trans-169.416417300000113.2Q210G200-Q210 PolarHBondContact O-NE2 2.95Å; G200-Q210 VanDerWaalsContact O-NE2 3.11Å
201T87.5Confident89.9Confident87 Ų8745.8 Ų45.853%0.53422%0.22SC..  trans-81.8143.4170.552.90000110.1Y198Y198-T201 HydrophobicContact CE2-CG2 4.03Å
202K89.8Confident90.3Very high14 Ų1444 Ų446%0.06121%0.211CC..  trans-113.1159.7177.5-48.7-60.4176.1-164.70111.3E41 T178 K204 T208 Q210 N252E41-K202 WeakPolarHBondContact OE1-CE 3.33Å; E41-K202 IonicContact OE1-NZ 2.93Å; E41-K202 PolarHBondContact OE1-NZ 2.81Å; T178-K202 PolarHBondContact OG1-N 3Å; T178-K202 VanDerWaalsContact OG1-N 3.1Å; K202-K204 PolarHBondContact O-N 3.22Å; K202-T208 HydrophobicContact CB-CG2 3.84Å; K202-Q210 HydrophobicContact CG-CB 4.16Å; K202-Q210 HydrophobicContact CG-CG 4.37Å; K202-Q210 VanDerWaalsContact CG-OE1 3.27Å; K202-N252 WeakPolarHBondContact CE-OD1 3.33Å; K202-N252 PolarHBondContact NZ-OD1 3.13Å
203D85.9Confident90.7Very high51 Ų5135.1 Ų35.127%0.27318%0.177SC..  trans-48136.6179-76.3-104.1000113K31 K173 A206K31-D203 IonicContact NZ-OD1 3.39Å; K31-D203 PolarHBondContact NZ-OD1 3.19Å; K173-D203 PolarHBondContact NZ-O 2.94Å; D203-A206 HydrophobicContact CB-CB 3.74Å
204K85.4Confident91.1Very high111 Ų11132.5 Ų32.548%0.48316%0.16SC..SBendtrans-69.5-56.7173.7176.1176.1175.5173.90111.4N175 K176 K202 A206N175-K204 CarbonylContact C-O 3.49Å; N175-K204 WeakPolarHBondContact CA-O 3.14Å; K176-K204 PolarHBondContact N-O 3.36Å; K176-K204 VanDerWaalsContact N-O 3.14Å; K202-K204 PolarHBondContact O-N 3.22Å; K204-A206 VanDerWaalsContact C-N 3.27Å; K204-A206 PolarHBondContact O-N 2.79Å
205R85.6Confident91.4Very high125 Ų12528.9 Ų28.947%0.47214%0.141SC..SBendtrans-83.272.9-178.8-173.1-178.7178.4159.63.9109.7K31 E32K31-R205 PolarHBondContact O-NE 3.14Å; K31-R205 PolarHBondContact O-NH2 3.04Å; E32-R205 PolarHBondContact O-NH2 3.31Å
206A89.4Confident91.2Very high0 Ų032 Ų320%015%0.153CC..SBendtrans-165.2164.9-178.400000109.6Y34 F37 V39 N175 D203 K204 T208Y34-A206 CarbonylContact O-C 3.52Å; Y34-A206 WeakPolarHBondContact O-CA 3.4Å; F37-A206 HydrophobicContact CB-CB 4.49Å; F37-A206 HydrophobicContact CD1-CB 3.7Å; F37-A206 VanDerWaalsContact O-CA 3.29Å; F37-A206 WeakPolarHBondContact O-CA 3.36Å; F37-A206 VanDerWaalsContact O-CB 3.26Å; F37-A206 WeakPolarHBondContact O-CB 3.37Å; V39-A206 HydrophobicContact CG2-CB 4.46Å; N175-A206 PolarHBondContact N-O 3.39Å; N175-A206 VanDerWaalsContact N-O 3.08Å; D203-A206 HydrophobicContact CB-CB 3.74Å; K204-A206 VanDerWaalsContact C-N 3.27Å; K204-A206 PolarHBondContact O-N 2.79Å; A206-T208 HydrophobicContact CB-CG2 3.59Å
207I93.4Very high91Very high6 Ų631.7 Ų31.73%0.03115%0.152CC..EExtended strand (participates in β ladder)trans-89.8126155-61.8179.6000106.6Y34 F37 V38 V39 Y172 K173 E174Y34-I207 HydrophobicContact CD2-CD1 4.49Å; Y34-I207 HydrophobicContact CD2-CG1 3.91Å; Y34-I207 HydrophobicContact CE2-CG1 4.31Å; Y34-I207 PolarHBondContact O-N 3.24Å; F37-I207 PolarHBondContact O-N 3.34Å; V38-I207 CarbonylContact C-O 3.6Å; V38-I207 VanDerWaalsContact CA-O 3.26Å; V38-I207 WeakPolarHBondContact CA-O 3.37Å; V38-I207 HydrophobicContact CG1-CB 4.28Å; V38-I207 HydrophobicContact CG1-CG2 4.2Å; V38-I207 HydrophobicContact CG2-CB 4.22Å; V39-I207 PolarHBondContact N-O 2.94Å; Y172-I207 HydrophobicContact CD2-CG2 4.16Å; Y172-I207 HydrophobicContact CE2-CG2 3.3Å; Y172-I207 WeakPolarHBondContact OH-CG2 3.48Å; K173-I207 WeakPolarHBondContact O-CA 3.41Å; E174-I207 HydrophobicContact CG-CG1 4.31Å
208T95.1Very high90.7Very high0 Ų032.3 Ų32.30%016%0.155CC..EExtended strand (participates in β ladder)trans-136.7140.3-178.974.30000111.9V39 K173 K202 A206V39-T208 HydrophobicContact CB-CG2 3.96Å; V39-T208 HydrophobicContact CG2-CG2 4.1Å; V39-T208 CarbonylContact O-C 3.59Å; V39-T208 WeakPolarHBondContact O-CA 3.28Å; K173-T208 WeakPolarHBondContact CD-OG1 3.44Å; K173-T208 WeakPolarHBondContact CE-OG1 3.37Å; K173-T208 WeakPolarHBondContact CG-OG1 3.34Å; K173-T208 PolarHBondContact N-O 2.89Å; K173-T208 PolarHBondContact NZ-OG1 2.79Å; K173-T208 PolarHBondContact O-N 3.17Å; K202-T208 HydrophobicContact CB-CG2 3.84Å; A206-T208 HydrophobicContact CB-CG2 3.59Å
209V95.6Very high90.5Very high0 Ų030 Ų300%015%0.146CC..EExtended strand (participates in β ladder)trans-119.1126.7175.1-1680000108.9V39 E41 V49 L51 A170 L171 Y172V39-V209 PolarHBondContact O-N 2.85Å; E41-V209 PolarHBondContact N-O 3Å; V49-V209 HydrophobicContact CG1-CG1 4.05Å; V49-V209 WeakPolarHBondContact O-CG1 3.33Å; L51-V209 HydrophobicContact CB-CG1 4.48Å; A170-V209 HydrophobicContact CB-CG1 4.37Å; L171-V209 WeakPolarHBondContact O-CA 3.13Å; Y172-V209 HydrophobicContact CD2-CG2 3.74Å
210Q95.1Very high90.3Very high0 Ų034.1 Ų34.10%017%0.165CC..EExtended strand (participates in β ladder)trans-144.5155.5-178.762.4175.6109.800112E41 L171 T178 G200 K202 I212E41-Q210 HydrophobicContact CB-CB 4.16Å; L171-Q210 HydrophobicContact CB-CG 4.26Å; L171-Q210 HydrophobicContact CD2-CG 4.45Å; L171-Q210 PolarHBondContact N-O 3.45Å; L171-Q210 PolarHBondContact O-N 2.76Å; L171-Q210 VanDerWaalsContact O-N 3.08Å; T178-Q210 PolarHBondContact OG1-OE1 2.95Å; G200-Q210 PolarHBondContact O-NE2 2.95Å; G200-Q210 VanDerWaalsContact O-NE2 3.11Å; K202-Q210 HydrophobicContact CG-CB 4.16Å; K202-Q210 HydrophobicContact CG-CG 4.37Å; K202-Q210 VanDerWaalsContact CG-OE1 3.27Å; Q210-I212 HydrophobicContact CG-CD1 4.1Å; Q210-I212 HydrophobicContact CG-CG1 4.4Å
211E95.1Very high90.2Very high15 Ų1537.3 Ų37.37%0.0717%0.173CC..EExtended strand (participates in β ladder)trans-83.1132.8175.2-161.9180163.300109.8E41 V49 H168 M199 K240 L244E41-E211 PolarHBondContact OE2-N 2.72Å; V49-E211 HydrophobicContact CG2-CB 4.32Å; H168-E211 IonicContact CE1-OE1 3.73Å; H168-E211 IonicContact CG-OE1 2.85Å; H168-E211 IonicContact ND1-OE1 3.05Å; H168-E211 PolarHBondContact ND1-OE1 3.48Å; M199-E211 HydrophobicContact CE-CB 4.03Å; E211-K240 IonicContact OE1-NZ 3.76Å; E211-K240 PolarHBondContact OE1-NZ 3.38Å; E211-L244 HydrophobicContact CB-CD1 4.15Å; E211-L244 HydrophobicContact CG-CD1 4.03Å; E211-L244 VanDerWaalsContact O-CD1 3.28Å; E211-L244 WeakPolarHBondContact O-CD1 3.35Å
212I95Very high90.2Very high1 Ų133.1 Ų33.11%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-127.2143.1175.7-56-66.7000108.5H168 F169 L171 T178 F196 Q210H168-I212 CarbonylContact C-O 3.33Å; H168-I212 VanDerWaalsContact CA-O 3.29Å; H168-I212 WeakPolarHBondContact CA-O 3.3Å; F169-I212 HydrophobicContact CD2-CB 4.22Å; F169-I212 HydrophobicContact CE1-CB 4.01Å; F169-I212 HydrophobicContact CE1-CG2 3.81Å; F169-I212 HydrophobicContact CE2-CB 3.66Å; F169-I212 HydrophobicContact CE2-CG1 4.13Å; F169-I212 HydrophobicContact CE2-CG2 4Å; F169-I212 HydrophobicContact CZ-CB 3.56Å; F169-I212 HydrophobicContact CZ-CG1 4.38Å; F169-I212 HydrophobicContact CZ-CG2 3.39Å; F169-I212 PolarHBondContact N-O 3.21Å; F169-I212 PolarHBondContact O-N 3.42Å; L171-I212 HydrophobicContact CB-CG1 3.61Å; L171-I212 HydrophobicContact CD2-CD1 4.15Å; L171-I212 HydrophobicContact CD2-CG1 3.82Å; L171-I212 HydrophobicContact CG-CG1 4.36Å; T178-I212 HydrophobicContact CG2-CD1 4.42Å; F196-I212 HydrophobicContact CD1-CG2 4.01Å; Q210-I212 HydrophobicContact CG-CD1 4.1Å; Q210-I212 HydrophobicContact CG-CG1 4.4Å
213A94.3Very high90.1Very high0 Ų033.3 Ų33.30%015%0.152CC..EExtended strand (participates in β ladder)trans-121.4133.4173.800000111.5C167 F196 S197 L244C167-A213 CarbonylContact O-C 3.19Å; C167-A213 WeakPolarHBondContact O-CA 3.37Å; F196-A213 CarbonylContact C-O 3.55Å; F196-A213 WeakPolarHBondContact CA-O 3.43Å; S197-A213 PolarHBondContact N-O 3.27Å; S197-A213 PolarHBondContact O-N 2.95Å; S197-A213 WeakPolarHBondContact OG-CB 3.29Å; S197-A213 PolarHBondContact OG-O 3.42Å; S197-A213 VanDerWaalsContact OG-O 3.13Å; A213-L244 HydrophobicContact CB-CD1 3.98Å; A213-L244 HydrophobicContact CB-CG 3.86Å
214V93.6Very high90Very high0 Ų034.2 Ų34.20%015%0.154CC..EExtended strand (participates in β ladder)trans-122136.617963.50000111.6Y166 C167 F169 L191 F196 K216 I217 L222Y166-V214 WeakPolarHBondContact CA-O 3.41Å; C167-V214 HydrophobicContact CB-CG1 3.98Å; C167-V214 PolarHBondContact N-O 3.46Å; C167-V214 PolarHBondContact O-N 3.1Å; F169-V214 HydrophobicContact CD1-CG1 4.36Å; F169-V214 HydrophobicContact CE1-CB 4.22Å; F169-V214 HydrophobicContact CE1-CG1 3.84Å; L191-V214 HydrophobicContact CD1-CG2 4.13Å; F196-V214 HydrophobicContact CD1-CB 3.86Å; F196-V214 HydrophobicContact CD1-CG2 3.94Å; F196-V214 HydrophobicContact CE1-CB 3.79Å; F196-V214 HydrophobicContact CE1-CG2 3.61Å; F196-V214 HydrophobicContact CE2-CG2 4.37Å; F196-V214 HydrophobicContact CG-CG2 4.45Å; F196-V214 HydrophobicContact CZ-CG2 3.86Å; V214-K216 PolarHBondContact O-N 2.88Å; V214-I217 HydrophobicContact CG1-CB 3.86Å; V214-I217 HydrophobicContact CG1-CG1 4.36Å; V214-I217 HydrophobicContact CG1-CG2 4.44Å; V214-I217 HydrophobicContact CG2-CB 4.2Å; V214-I217 HydrophobicContact CG2-CG1 3.74Å; V214-L222 HydrophobicContact CG1-CD1 4.06Å
215L91.5Very high90.1Very high50 Ų5029.8 Ų29.826%0.26214%0.136SC..EExtended strand (participates in β ladder)trans-75.3122.6-178.9-177.567.8000112.2Y166 M195 I217Y166-L215 HydrophobicContact CD1-CB 4.2Å; Y166-L215 HydrophobicContact CD1-CD1 4.2Å; Y166-L215 HydrophobicContact CE1-CB 3.93Å; Y166-L215 HydrophobicContact CE1-CD1 3.72Å; Y166-L215 HydrophobicContact CE1-CG 4.39Å; Y166-L215 HydrophobicContact CE2-CD1 4.14Å; M195-L215 HydrophobicContact CB-CB 4.48Å; M195-L215 HydrophobicContact CE-CB 4.06Å; M195-L215 HydrophobicContact CE-CD2 4.29Å; M195-L215 HydrophobicContact CE-CG 4.39Å; M195-L215 WeakPolarHBondContact CE-O 3.4Å; M195-L215 PolarHBondContact O-N 2.94Å; L215-I217 PolarHBondContact O-N 3.32Å
216K86.4Confident90.2Very high119 Ų11924.7 Ų24.752%0.51712%0.118SC..THydrogen-bonded Turntrans53.347.7170.6-62.3-178.1179.2-1770115W159 S165 V214W159-K216 HydrophobicContact CD2-CB 4.07Å; W159-K216 HydrophobicContact CD2-CG 4.07Å; W159-K216 HydrophobicContact CE3-CB 3.9Å; W159-K216 HydrophobicContact CE3-CG 4.41Å; W159-K216 HydrophobicContact CG-CG 4.21Å; W159-K216 HydrophobicContact CZ3-CB 4.27Å; S165-K216 PolarHBondContact O-N 2.89Å; V214-K216 PolarHBondContact O-N 2.88Å
217I87.7Confident89.9Confident5 Ų532.9 Ų32.93%0.02615%0.154CC..  trans-124.1134.6172.8-62.3-65000110W159 C167 L189 L191 V214 L215 R221 L222W159-I217 WeakPolarHBondContact CH2-O 3.46Å; W159-I217 VanDerWaalsContact CZ3-N 3.32Å; C167-I217 WeakPolarHBondContact CB-O 3.44Å; L189-I217 HydrophobicContact CD2-CG2 4.49Å; L191-I217 HydrophobicContact CD1-CD1 3.52Å; L191-I217 HydrophobicContact CD1-CG1 3.53Å; L191-I217 HydrophobicContact CD2-CD1 4.13Å; L191-I217 HydrophobicContact CG-CD1 4.33Å; V214-I217 HydrophobicContact CG1-CB 3.86Å; V214-I217 HydrophobicContact CG1-CG1 4.36Å; V214-I217 HydrophobicContact CG1-CG2 4.44Å; V214-I217 HydrophobicContact CG2-CB 4.2Å; V214-I217 HydrophobicContact CG2-CG1 3.74Å; L215-I217 PolarHBondContact O-N 3.32Å; I217-R221 HydrophobicContact CG2-CB 4.31Å; I217-L222 HydrophobicContact CG2-CD1 4.35Å; I217-L222 HydrophobicContact CG2-CD2 4.25Å; I217-L222 HydrophobicContact CG2-CG 3.98Å
218T87.3Confident89.5Confident33 Ų3336.5 Ų36.520%0.20218%0.179CC..  trans-75.4147.1179.456.40000111.3W159 E220 R221 L222W159-T218 HydrophobicContact CZ3-CG2 4.05Å; T218-E220 VanDerWaalsContact C-N 3.27Å; T218-E220 PolarHBondContact O-N 3.34Å; T218-R221 PolarHBondContact O-N 3.05Å; T218-R221 WeakPolarHBondContact OG1-CG 3.42Å; T218-L222 PolarHBondContact O-N 3.13Å
219A88.9Confident89Confident0 Ų037 Ų370%018%0.181CC..Hα-helixtrans-58.8-37.5176.500000112.2I56 P57 R221 L222 A223 F237 Y239I56-A219 HydrophobicContact CG2-CB 4.14Å; P57-A219 HydrophobicContact CG-CB 3.92Å; A219-R221 VanDerWaalsContact C-N 3.32Å; A219-R221 PolarHBondContact O-N 2.9Å; A219-L222 CarbonylContact O-C 3.5Å; A219-L222 WeakPolarHBondContact O-CB 3.39Å; A219-L222 PolarHBondContact O-N 2.92Å; A219-A223 WeakPolarHBondContact O-CB 3.33Å; A219-A223 PolarHBondContact O-N 3.15Å; A219-F237 HydrophobicContact CB-CB 3.58Å; A219-F237 HydrophobicContact CB-CD1 4.07Å; A219-F237 HydrophobicContact CB-CD2 4.18Å; A219-F237 HydrophobicContact CB-CG 3.68Å; A219-Y239 PolarHBondContact N-OH 3.07Å
220E85.8Confident88.5Confident88 Ų8843.6 Ų43.641%0.41121%0.214SC..Hα-helixtrans-54.2-45.5175.7-61.9176.8164.400113.1I56 T218 L222 A223 H224I56-E220 HydrophobicContact CD1-CB 4.47Å; I56-E220 HydrophobicContact CD1-CG 4.1Å; I56-E220 HydrophobicContact CG2-CG 3.73Å; T218-E220 VanDerWaalsContact C-N 3.27Å; T218-E220 PolarHBondContact O-N 3.34Å; E220-L222 VanDerWaalsContact C-N 3.27Å; E220-L222 PolarHBondContact O-N 3.3Å; E220-A223 PolarHBondContact O-N 2.63Å; E220-H224 WeakPolarHBondContact O-CB 3.38Å; E220-H224 PolarHBondContact O-N 3.49Å
221R85.8Confident88.1Confident78 Ų7846.5 Ų46.529%0.29423%0.229SC..Hα-helixtrans-65.3-34.2179.3-74.5-176.668.8-162.3-2.6111.4L189 I217 T218 A219 L225L189-R221 HydrophobicContact CD2-CB 4.38Å; L189-R221 PolarHBondContact O-NH2 3.36Å; I217-R221 HydrophobicContact CG2-CB 4.31Å; T218-R221 PolarHBondContact O-N 3.05Å; T218-R221 WeakPolarHBondContact OG1-CG 3.42Å; A219-R221 VanDerWaalsContact C-N 3.32Å; A219-R221 PolarHBondContact O-N 2.9Å; R221-L225 WeakPolarHBondContact O-CG 3.46Å
222L87.7Confident88Confident0 Ų045.9 Ų45.90%023%0.226CC..Hα-helixtrans-74.7-46.5176.5-65.6168.1000110.9C167 F169 L189 V214 I217 T218 A219 E220 H224 L225 L234 F237C167-L222 HydrophobicContact CB-CD1 4.49Å; F169-L222 HydrophobicContact CD1-CD1 3.69Å; F169-L222 HydrophobicContact CE1-CD1 3.98Å; F169-L222 HydrophobicContact CE1-CD2 4.4Å; F169-L222 HydrophobicContact CG-CD1 4.33Å; L189-L222 HydrophobicContact CD1-CD2 3.83Å; V214-L222 HydrophobicContact CG1-CD1 4.06Å; I217-L222 HydrophobicContact CG2-CD1 4.35Å; I217-L222 HydrophobicContact CG2-CD2 4.25Å; I217-L222 HydrophobicContact CG2-CG 3.98Å; T218-L222 PolarHBondContact O-N 3.13Å; A219-L222 CarbonylContact O-C 3.5Å; A219-L222 WeakPolarHBondContact O-CB 3.39Å; A219-L222 PolarHBondContact O-N 2.92Å; E220-L222 VanDerWaalsContact C-N 3.27Å; E220-L222 PolarHBondContact O-N 3.3Å; L222-H224 VanDerWaalsContact C-N 3.29Å; L222-H224 PolarHBondContact O-N 3.21Å; L222-L225 WeakPolarHBondContact O-CB 3.42Å; L222-L225 PolarHBondContact O-N 3.06Å; L222-L234 HydrophobicContact CB-CD1 4.06Å; L222-L234 HydrophobicContact CD2-CD1 4.07Å; L222-F237 HydrophobicContact CB-CD1 4.23Å; L222-F237 HydrophobicContact CB-CE1 3.45Å; L222-F237 VanDerWaalsContact CB-CE1 3.45Å; L222-F237 HydrophobicContact CB-CZ 4.02Å; L222-F237 HydrophobicContact CD1-CD1 4.07Å; L222-F237 HydrophobicContact CD1-CE1 3.98Å; L222-F237 HydrophobicContact CG-CE1 4.36Å
223A87.8Confident87.8Confident18 Ų1847.9 Ų47.915%0.14924%0.235CC..Hα-helixtrans-58.3-40.3178.300000111.8I56 A219 E220 L225 N226 F237I56-A223 HydrophobicContact CD1-CB 4.12Å; I56-A223 HydrophobicContact CG1-CB 3.94Å; A219-A223 WeakPolarHBondContact O-CB 3.33Å; A219-A223 PolarHBondContact O-N 3.15Å; E220-A223 PolarHBondContact O-N 2.63Å; A223-L225 VanDerWaalsContact C-N 3.26Å; A223-L225 PolarHBondContact O-N 3.49Å; A223-N226 VanDerWaalsContact O-CB 3.28Å; A223-N226 WeakPolarHBondContact O-CB 3.47Å; A223-N226 PolarHBondContact O-N 2.99Å; A223-N226 VanDerWaalsContact O-N 3.14Å; A223-F237 HydrophobicContact CB-CE2 3.87Å; A223-F237 HydrophobicContact CB-CZ 4.05Å
224H83.9Confident87.8Confident69 Ų6947.9 Ų47.932%0.31924%0.235SC..Hα-helixtrans-62.1-33.2176.7-171.486.6000112.9F90 E220 L222 N226 K227F90-H224 AromaticContact CE1-CD2 3.71Å; F90-H224 AromaticContact CE1-NE2 3.52Å; F90-H224 AromaticContact CZ-CD2 3.51Å; F90-H224 AromaticContact CZ-CE1 3.3Å; F90-H224 WeakPolarHBondContact CZ-CE1 3.43Å; F90-H224 AromaticContact CZ-CG 3.75Å; F90-H224 AromaticContact CZ-ND1 3.63Å; F90-H224 AromaticContact CZ-NE2 3.22Å; F90-H224 WeakPolarHBondContact CZ-NE2 3.45Å; E220-H224 WeakPolarHBondContact O-CB 3.38Å; E220-H224 PolarHBondContact O-N 3.49Å; L222-H224 VanDerWaalsContact C-N 3.29Å; L222-H224 PolarHBondContact O-N 3.21Å; H224-N226 PolarHBondContact O-N 3.38Å; H224-K227 PolarHBondContact O-N 3.39Å
225L87.2Confident87.7Confident18 Ų1847.9 Ų47.99%0.09424%0.235CC..Hα-helixtrans-63.5-24178.7-65.4175000112.4L185 F188 L189 R221 L222 A223 K227 C228 L229L185-L225 HydrophobicContact CD2-CD1 4.11Å; F188-L225 HydrophobicContact CB-CD1 4.35Å; F188-L225 HydrophobicContact CB-CD2 3.76Å; F188-L225 HydrophobicContact CG-CD2 4.16Å; L189-L225 HydrophobicContact CD1-CD1 4.17Å; L189-L225 HydrophobicContact CD2-CD1 3.87Å; L189-L225 HydrophobicContact CG-CD1 3.86Å; R221-L225 WeakPolarHBondContact O-CG 3.46Å; L222-L225 WeakPolarHBondContact O-CB 3.42Å; L222-L225 PolarHBondContact O-N 3.06Å; A223-L225 VanDerWaalsContact C-N 3.26Å; A223-L225 PolarHBondContact O-N 3.49Å; L225-K227 PolarHBondContact O-N 3.27Å; L225-C228 PolarHBondContact O-N 3.39Å; L225-L229 HydrophobicContact CB-CD1 3.7Å; L225-L229 HydrophobicContact CB-CG 4.05Å; L225-L229 WeakPolarHBondContact O-CB 3.49Å; L225-L229 WeakPolarHBondContact O-CG 3.29Å; L225-L229 PolarHBondContact O-N 3.26Å
226N87.4Confident87.7Confident19 Ų1947.4 Ų47.410%0.10223%0.233CC..THydrogen-bonded Turntrans-56.8-22.4177.4-71.5-27.8000113.6A223 H224 K233 L234A223-N226 VanDerWaalsContact O-CB 3.28Å; A223-N226 WeakPolarHBondContact O-CB 3.47Å; A223-N226 PolarHBondContact O-N 2.99Å; A223-N226 VanDerWaalsContact O-N 3.14Å; H224-N226 PolarHBondContact O-N 3.38Å; N226-K233 HydrophobicContact CB-CD 4.37Å; N226-K233 PolarHBondContact O-NZ 3.09Å; N226-L234 PolarHBondContact ND2-O 3.32Å; N226-L234 PolarHBondContact OD1-N 3Å
227K83Confident88Confident172 Ų17242.4 Ų42.475%0.74821%0.211SC*.THydrogen-bonded Turntrans-73.2-31.7175.6-62.1-174.9-179.8-1750113.3H224 L225H224-K227 PolarHBondContact O-N 3.39Å; L225-K227 PolarHBondContact O-N 3.27Å
228C85.2Confident88.1Confident82 Ų8244.4 Ų44.455%0.55423%0.225SC*.THydrogen-bonded Turntrans-105.4-12.9-176.1-54.90000113L225 M230L225-C228 PolarHBondContact O-N 3.39Å; C228-M230 PolarHBondContact O-N 3.43Å
229L85.9Confident88.3Confident9 Ų945.2 Ų45.25%0.04723%0.225CC..  trans-81.7115-177.6-74.6174.1000111.3V184 L185 F188 L225 L232 K233 L234V184-L229 HydrophobicContact CG1-CD2 3.93Å; L185-L229 HydrophobicContact CD2-CD1 3.89Å; L185-L229 HydrophobicContact CD2-CD2 4.21Å; F188-L229 HydrophobicContact CD2-CD2 4.31Å; F188-L229 HydrophobicContact CE2-CD2 4.2Å; L225-L229 HydrophobicContact CB-CD1 3.7Å; L225-L229 HydrophobicContact CB-CG 4.05Å; L225-L229 WeakPolarHBondContact O-CB 3.49Å; L225-L229 WeakPolarHBondContact O-CG 3.29Å; L225-L229 PolarHBondContact O-N 3.26Å; L229-L232 HydrophobicContact CB-CB 4.11Å; L229-L232 WeakPolarHBondContact CB-O 3.45Å; L229-L232 HydrophobicContact CD1-CB 4.35Å; L229-L232 HydrophobicContact CD2-CB 4.4Å; L229-L232 HydrophobicContact CD2-CD1 4.08Å; L229-K233 PolarHBondContact O-NZ 3.12Å; L229-L234 HydrophobicContact CD1-CD1 3.97Å; L229-L234 HydrophobicContact CD1-CG 4.04Å
230M84.3Confident88.3Confident140 Ų14047.8 Ų47.869%0.6924%0.236SC*.SBendtrans-89.3131.3169.5-168.2175.477.200110.3K176 C228 L232K176-M230 PolarHBondContact NZ-O 3.32Å; C228-M230 PolarHBondContact O-N 3.43Å; M230-L232 PolarHBondContact O-N 2.89Å
231N87.6Confident88.5Confident61 Ų6149.7 Ų49.733%0.32625%0.249SC..SBendtrans59.820-179.4-57.43000114.6E174 K176E174-N231 HydrophobicContact CB-CB 4.12Å; E174-N231 PolarHBondContact N-O 3.38Å; K176-N231 HydrophobicContact CD-CB 4.47Å
232L91.4Very high88.7Confident1 Ų150.4 Ų50.41%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-140.6135.1177.5-63.1171.6000108.1L171 Y172 K173 K176 A181 V184 L229 M230L171-L232 HydrophobicContact CD1-CD2 4.3Å; Y172-L232 CarbonylContact O-C 3.46Å; Y172-L232 WeakPolarHBondContact O-CA 3.31Å; K173-L232 HydrophobicContact CB-CD2 3.41Å; K173-L232 VanDerWaalsContact CB-CD2 3.41Å; K176-L232 HydrophobicContact CD-CD1 4.05Å; K176-L232 HydrophobicContact CD-CD2 3.79Å; K176-L232 HydrophobicContact CD-CG 3.82Å; A181-L232 HydrophobicContact CB-CD1 4.17Å; A181-L232 HydrophobicContact CB-CD2 3.72Å; V184-L232 HydrophobicContact CB-CD1 4.48Å; V184-L232 HydrophobicContact CG1-CD1 4.32Å; L229-L232 HydrophobicContact CB-CB 4.11Å; L229-L232 WeakPolarHBondContact CB-O 3.45Å; L229-L232 HydrophobicContact CD1-CB 4.35Å; L229-L232 HydrophobicContact CD2-CB 4.4Å; L229-L232 HydrophobicContact CD2-CD1 4.08Å; M230-L232 PolarHBondContact O-N 2.89Å
233K91.7Very high88.9Confident43 Ų4352.5 Ų52.519%0.18727%0.269CS..EExtended strand (participates in β ladder)trans-136.5143.7171.8-64.2-65.3-179.4-144.50109.7L51 Y172 N226 L229 F513L51-K233 HydrophobicContact CD2-CB 3.71Å; Y172-K233 HydrophobicContact CD1-CB 4.18Å; Y172-K233 HydrophobicContact CD1-CG 4.35Å; Y172-K233 PolarHBondContact N-O 2.8Å; Y172-K233 PolarHBondContact O-N 3.49Å; N226-K233 HydrophobicContact CB-CD 4.37Å; N226-K233 PolarHBondContact O-NZ 3.09Å; L229-K233 PolarHBondContact O-NZ 3.12Å; K233-F513 HydrophobicContact CD-CD2 4.33Å; K233-F513 HydrophobicContact CD-CE2 3.89Å; K233-F513 HydrophobicContact CG-CD2 3.73Å; K233-F513 HydrophobicContact CG-CE2 3.8Å
234L93.5Very high89.1Confident0 Ų052.3 Ų52.30%027%0.265CS..EExtended strand (participates in β ladder)trans-120.2134.1-177.1-47.5179.8000108.6L54 F169 A170 L171 L185 L222 N226 L229 F237L54-L234 WeakPolarHBondContact CD2-O 3.34Å; F169-L234 HydrophobicContact CD2-CB 4.35Å; F169-L234 HydrophobicContact CD2-CD2 3.96Å; F169-L234 HydrophobicContact CE2-CD2 3.66Å; A170-L234 WeakPolarHBondContact O-CA 3.32Å; L171-L234 HydrophobicContact CD1-CD2 3.4Å; L185-L234 HydrophobicContact CD1-CD2 4.23Å; L185-L234 HydrophobicContact CD2-CD1 3.85Å; L185-L234 HydrophobicContact CD2-CD2 4.38Å; L222-L234 HydrophobicContact CB-CD1 4.06Å; L222-L234 HydrophobicContact CD2-CD1 4.07Å; N226-L234 PolarHBondContact ND2-O 3.32Å; N226-L234 PolarHBondContact OD1-N 3Å; L229-L234 HydrophobicContact CD1-CD1 3.97Å; L229-L234 HydrophobicContact CD1-CG 4.04Å; L234-F237 HydrophobicContact CB-CE1 4.08Å; L234-F237 HydrophobicContact CB-CZ 3.98Å
235G91.6Very high89.4Confident0 Ų055.4 Ų55.40%028%0.278CS..EExtended strand (participates in β ladder)trans-160.8-169178.300000112.4L51 D53 F169 A170 F237L51-G235 VanDerWaalsContact CD1-CA 3.46Å; L51-G235 VanDerWaalsContact CD1-N 3.33Å; D53-G235 CarbonylContact O-C 3.52Å; D53-G235 VanDerWaalsContact O-CA 3.27Å; D53-G235 WeakPolarHBondContact O-CA 3.48Å; F169-G235 CarbonylContact C-O 3.59Å; F169-G235 WeakPolarHBondContact CA-O 3.42Å; F169-G235 WeakPolarHBondContact CB-O 3.35Å; A170-G235 PolarHBondContact N-O 3.39Å; A170-G235 PolarHBondContact O-N 3.1Å; G235-F237 VanDerWaalsContact C-N 3.32Å; G235-F237 PolarHBondContact O-N 3.05Å
236N92.1Very high89.3Confident40 Ų4061.1 Ų61.121%0.21431%0.308CS..EExtended strand (participates in β ladder)trans51.450179.4-56.254.9000112H50 D52 D53 A170 C238H50-N236 PolarHBondContact O-ND2 3.49Å; H50-N236 PolarHBondContact O-OD1 3.34Å; D52-N236 PolarHBondContact N-OD1 3.43Å; D52-N236 PolarHBondContact OD1-ND2 3.18Å; D52-N236 PolarHBondContact OD1-OD1 3.26Å; D53-N236 PolarHBondContact N-OD1 3.08Å; D53-N236 PolarHBondContact O-N 3.17Å; D53-N236 PolarHBondContact O-OD1 3.32Å; A170-N236 HydrophobicContact CB-CB 3.95Å; N236-C238 PolarHBondContact O-N 3.05Å
237F92.5Very high89.2Confident14 Ų1462.5 Ų62.56%0.06133%0.326CS..EExtended strand (participates in β ladder)trans-72.6130-173.8-54.4-77.5000111.1S55 P57 H168 F169 A219 L222 A223 L234 G235S55-F237 WeakPolarHBondContact O-CD2 2.99Å; P57-F237 HydrophobicContact CG-CB 4.05Å; H168-F237 CarbonylContact O-C 3.59Å; H168-F237 WeakPolarHBondContact O-CA 3.35Å; F169-F237 HydrophobicContact CB-CD1 3.58Å; F169-F237 HydrophobicContact CB-CE1 3.83Å; F169-F237 HydrophobicContact CG-CD1 4.47Å; F169-F237 HydrophobicContact CG-CE1 4.42Å; A219-F237 HydrophobicContact CB-CB 3.58Å; A219-F237 HydrophobicContact CB-CD1 4.07Å; A219-F237 HydrophobicContact CB-CD2 4.18Å; A219-F237 HydrophobicContact CB-CG 3.68Å; L222-F237 HydrophobicContact CB-CD1 4.23Å; L222-F237 HydrophobicContact CB-CE1 3.45Å; L222-F237 VanDerWaalsContact CB-CE1 3.45Å; L222-F237 HydrophobicContact CB-CZ 4.02Å; L222-F237 HydrophobicContact CD1-CD1 4.07Å; L222-F237 HydrophobicContact CD1-CE1 3.98Å; L222-F237 HydrophobicContact CG-CE1 4.36Å; A223-F237 HydrophobicContact CB-CE2 3.87Å; A223-F237 HydrophobicContact CB-CZ 4.05Å; L234-F237 HydrophobicContact CB-CE1 4.08Å; L234-F237 HydrophobicContact CB-CZ 3.98Å; G235-F237 VanDerWaalsContact C-N 3.32Å; G235-F237 PolarHBondContact O-N 3.05Å
238C90Very high89.4Confident47 Ų4756.8 Ų56.832%0.31830%0.303SS..EExtended strand (participates in β ladder)trans-142.6147.6172.955.90000111.2C167 H168 N236C167-C238 CarbonylContact C-O 3.18Å; H168-C238 WeakPolarHBondContact CB-SG 3.47Å; H168-C238 PolarHBondContact N-O 3.34Å; H168-C238 PolarHBondContact O-N 3.4Å; N236-C238 PolarHBondContact O-N 3.05Å
239Y91.4Very high89.7Confident50 Ų5053.7 Ų53.720%0.19628%0.28CS..EExtended strand (participates in β ladder)trans-98.4125.2177.7-61.2-69.9000110.4P57 W159 R163 Y166 C167 A219P57-Y239 HydrophobicContact CB-CE2 4.42Å; P57-Y239 HydrophobicContact CG-CD2 4.27Å; P57-Y239 HydrophobicContact CG-CE2 3.74Å; W159-Y239 HydrophobicContact CH2-CD1 4.27Å; W159-Y239 AromaticContact CH2-CE1 3.93Å; W159-Y239 HydrophobicContact CH2-CE1 3.93Å; W159-Y239 HydrophobicContact CZ2-CD1 4.13Å; W159-Y239 HydrophobicContact CZ2-CE1 4.22Å; R163-Y239 HydrophobicContact CG-CD1 3.9Å; R163-Y239 HydrophobicContact CG-CD2 3.87Å; R163-Y239 HydrophobicContact CG-CE1 4.36Å; R163-Y239 HydrophobicContact CG-CE2 4.32Å; R163-Y239 HydrophobicContact CG-CG 3.64Å; R163-Y239 PolarHBondContact NH1-OH 3.13Å; Y166-Y239 CarbonylContact O-C 3.58Å; Y166-Y239 WeakPolarHBondContact O-CA 3.22Å; C167-Y239 HydrophobicContact CB-CD1 3.96Å; C167-Y239 HydrophobicContact CB-CE1 3.9Å; A219-Y239 PolarHBondContact N-OH 3.07Å
240K89.3Confident90Very high54 Ų5458.4 Ų58.424%0.23530%0.302CS..EExtended strand (participates in β ladder)trans-131164.5178-56.1-176.3-172162.90111G164 S165 Y166 H168 E211G164-K240 CarbonylContact C-O 3.55Å; G164-K240 VanDerWaalsContact C-O 3.25Å; G164-K240 WeakPolarHBondContact CA-O 3.28Å; S165-K240 PolarHBondContact N-O 3.05Å; S165-K240 VanDerWaalsContact N-O 3.15Å; Y166-K240 PolarHBondContact N-O 3.04Å; Y166-K240 PolarHBondContact O-N 3.5Å; Y166-K240 VanDerWaalsContact O-O 3.14Å; H168-K240 HydrophobicContact CB-CD 4.47Å; E211-K240 IonicContact OE1-NZ 3.76Å; E211-K240 PolarHBondContact OE1-NZ 3.38Å
241N89.6Confident90.4Very high129 Ų12951.8 Ų51.869%0.6927%0.269SS*.SBendtrans-90.6-16.8-177.1-75.9-35.5000114.5G164 Y166G164-N241 VanDerWaalsContact CA-OD1 3.29Å; G164-N241 WeakPolarHBondContact CA-OD1 3.46Å; Y166-N241 WeakPolarHBondContact CD2-O 3.41Å
242H89.3Confident90.7Very high93 Ų9349.8 Ų49.843%0.43126%0.259SS..SBendtrans-111.6147.4-175.159.778.4000111.3H168H168-H242 AromaticContact CE1-CE1 3.94Å; H168-H242 PolarHBondContact NE2-O 3.32Å
243P92.4Very high90.9Very high43 Ų4350.8 Ų50.828%0.27926%0.263SS..  trans-72.6171.6166.532-33.8000110.8Y166Y166-P243 HydrophobicContact CD1-CB 4.22Å; Y166-P243 HydrophobicContact CE1-CB 3.75Å; Y166-P243 HydrophobicContact CE2-CB 4.39Å; Y166-P243 HydrophobicContact CE2-CG 4.48Å
244L91.7Very high91.1Very high14 Ų1449.1 Ų49.17%0.07326%0.256CS..  trans-86.9134.8167.2-64.5171.4000109.8S197 M199 E211 A213S197-L244 WeakPolarHBondContact CB-O 3.34Å; S197-L244 PolarHBondContact OG-N 3.37Å; M199-L244 HydrophobicContact CE-CD2 4.27Å; M199-L244 HydrophobicContact CG-CB 4.04Å; M199-L244 HydrophobicContact CG-CD2 4.11Å; M199-L244 HydrophobicContact CG-CG 4.47Å; M199-L244 HydrophobicContact SD-CD2 4.13Å; E211-L244 HydrophobicContact CB-CD1 4.15Å; E211-L244 HydrophobicContact CG-CD1 4.03Å; E211-L244 VanDerWaalsContact O-CD1 3.28Å; E211-L244 WeakPolarHBondContact O-CD1 3.35Å; A213-L244 HydrophobicContact CB-CD1 3.98Å; A213-L244 HydrophobicContact CB-CG 3.86Å
245K89.8Confident91.1Very high134 Ų13449.7 Ų49.758%0.58326%0.26SS*.  trans-104.2147.7174.3-58.1176.9-179.21740111.4M199 G247 E248M199-K245 WeakPolarHBondContact CA-O 3.32Å; K245-G247 PolarHBondContact O-N 2.95Å; K245-E248 HydrophobicContact CB-CG 3.9Å; K245-E248 PolarHBondContact N-OE2 3.29Å; K245-E248 PolarHBondContact O-N 3.46Å
246L86.5Confident91Very high138 Ų13849.7 Ų49.772%0.72326%0.26SS*.THydrogen-bonded Turntrans-65.2127.4179.9-159.6146.3000109.8Y198 M199Y198-L246 HydrophobicContact CE2-CD1 4.22Å; M199-L246 WeakPolarHBondContact O-CA 3.48Å
247G83.8Confident90.9Very high48 Ų4847.8 Ų47.850%0.49525%0.25SC..THydrogen-bonded Turntrans90.31.5-178.300000116M199 K245 L249M199-G247 PolarHBondContact O-N 3.25Å; K245-G247 PolarHBondContact O-N 2.95Å; G247-L249 VanDerWaalsContact C-N 3.28Å; G247-L249 PolarHBondContact O-N 3.39Å
248E88.6Confident90.5Very high53 Ų5347.1 Ų47.125%0.24825%0.247CC..  trans-78.2-7.4176.9-73.2-173.9140.200114.6K44 M199 K245K44-E248 IonicContact NZ-OE1 3.12Å; M199-E248 HydrophobicContact CG-CB 4.25Å; M199-E248 HydrophobicContact SD-CB 4.11Å; K245-E248 HydrophobicContact CB-CG 3.9Å; K245-E248 PolarHBondContact N-OE2 3.29Å; K245-E248 PolarHBondContact O-N 3.46Å
249L91.1Very high89.5Confident17 Ų1745 Ų459%0.08923%0.233CC..  trans-67.4142.4175.669.5157.9000111.3E41 M199 G247 G251 P541E41-L249 HydrophobicContact CG-CB 4.33Å; M199-L249 HydrophobicContact CB-CB 4.06Å; M199-L249 HydrophobicContact CB-CD2 4.03Å; M199-L249 WeakPolarHBondContact O-CD2 3.2Å; M199-L249 HydrophobicContact SD-CB 4.33Å; G247-L249 VanDerWaalsContact C-N 3.28Å; G247-L249 PolarHBondContact O-N 3.39Å; L249-G251 VanDerWaalsContact C-N 3.34Å; L249-P541 HydrophobicContact CD2-CB 4.4Å; L249-P541 HydrophobicContact CG-CB 4.17Å
250Q91.8Very high88.2Confident108 Ų10844.8 Ų44.851%0.50523%0.231SC..  trans-78.8-21.9172-69.8-1691500112.5I42 N43 K44 P541I42-Q250 HydrophobicContact CB-CB 4.47Å; I42-Q250 HydrophobicContact CG2-CB 3.99Å; I42-Q250 PolarHBondContact O-N 3.37Å; I42-Q250 VanDerWaalsContact O-N 3.15Å; N43-Q250 WeakPolarHBondContact O-CG 3.4Å; K44-Q250 PolarHBondContact O-NE2 3.14Å; Q250-P541 WeakPolarHBondContact O-CD 3.47Å
251G93.1Very high87Confident0 Ų045.4 Ų45.40%024%0.237CC..EExtended strand (participates in β ladder)trans163.8-166.1-177.500000113.5I42 L249 L539I42-G251 WeakPolarHBondContact CB-O 3.34Å; I42-G251 PolarHBondContact N-O 3.18Å; L249-G251 VanDerWaalsContact C-N 3.34Å; G251-L539 CarbonylContact C-O 3.54Å; G251-L539 WeakPolarHBondContact CA-O 3.35Å
252N94.6Very high86.5Confident20 Ų2039.3 Ų39.311%0.10721%0.205CC..EExtended strand (participates in β ladder)trans-135138171.1-47.8-88000108.9V39 H40 K202 F254 L539V39-N252 HydrophobicContact CG1-CB 3.81Å; H40-N252 CarbonylContact O-C 3.59Å; H40-N252 WeakPolarHBondContact O-CA 2.95Å; K202-N252 WeakPolarHBondContact CE-OD1 3.33Å; K202-N252 PolarHBondContact NZ-OD1 3.13Å; N252-F254 HydrophobicContact CB-CD2 4.37Å; N252-F254 HydrophobicContact CB-CE2 3.64Å; N252-F254 HydrophobicContact CB-CZ 3.8Å; N252-F254 WeakPolarHBondContact O-CD2 3.32Å; N252-F254 WeakPolarHBondContact O-CE2 3.42Å; N252-L539 PolarHBondContact N-O 3.36Å; N252-L539 PolarHBondContact O-N 3.47Å
253H95.6Very high86Confident21 Ų2138.6 Ų38.610%0.09721%0.21CC..EExtended strand (participates in β ladder)trans-88.9131.3168.5-171.277.2000108.8V39 H40 I42 I48 S538V39-H253 WeakPolarHBondContact CA-O 3.4Å; H40-H253 HydrophobicContact CB-CB 4.41Å; H40-H253 PolarHBondContact N-O 2.97Å; H40-H253 PolarHBondContact O-N 3.36Å; I42-H253 HydrophobicContact CG1-CB 4.48Å; I48-H253 HydrophobicContact CD1-CB 4.23Å; I48-H253 HydrophobicContact CG2-CB 4.25Å; H253-S538 PolarHBondContact ND1-OG 2.89Å
254F94.4Very high85.3Confident8 Ų836.6 Ų36.64%0.03520%0.197CC..EExtended strand (participates in β ladder)trans-116.2130-177.5-66.5-90000109.2F37 V38 V39 N252 V256 E536 F537 L539 A545F37-F254 HydrophobicContact CE1-CD1 4.01Å; F37-F254 HydrophobicContact CE1-CE1 4.07Å; F37-F254 AromaticContact CZ-CD1 3.92Å; F37-F254 HydrophobicContact CZ-CD1 3.92Å; F37-F254 HydrophobicContact CZ-CE1 4.05Å; V38-F254 WeakPolarHBondContact O-CA 3.37Å; V39-F254 HydrophobicContact CB-CD1 4.43Å; V39-F254 HydrophobicContact CB-CE1 4.37Å; V39-F254 HydrophobicContact CG1-CD1 4.14Å; V39-F254 HydrophobicContact CG1-CE1 3.77Å; V39-F254 HydrophobicContact CG1-CZ 4.19Å; V39-F254 HydrophobicContact CG2-CD1 3.77Å; V39-F254 HydrophobicContact CG2-CE1 3.74Å; N252-F254 HydrophobicContact CB-CD2 4.37Å; N252-F254 HydrophobicContact CB-CE2 3.64Å; N252-F254 HydrophobicContact CB-CZ 3.8Å; N252-F254 WeakPolarHBondContact O-CD2 3.32Å; N252-F254 WeakPolarHBondContact O-CE2 3.42Å; F254-V256 HydrophobicContact CB-CG2 4.13Å; F254-E536 VanDerWaalsContact O-CA 3.24Å; F254-E536 WeakPolarHBondContact O-CA 3.41Å; F254-F537 HydrophobicContact CB-CD2 4.2Å; F254-F537 HydrophobicContact CB-CE1 4.47Å; F254-F537 HydrophobicContact CB-CE2 3.79Å; F254-F537 HydrophobicContact CB-CZ 3.96Å; F254-F537 HydrophobicContact CD2-CD2 4.26Å; F254-F537 AromaticContact CD2-CE2 3.9Å; F254-F537 HydrophobicContact CD2-CE2 3.9Å; F254-F537 HydrophobicContact CG-CE2 4.01Å; F254-F537 HydrophobicContact CG-CZ 4.45Å; F254-F537 PolarHBondContact N-O 3.4Å; F254-F537 PolarHBondContact O-N 3.15Å; F254-L539 HydrophobicContact CD2-CB 4.4Å; F254-L539 HydrophobicContact CD2-CD1 4.05Å; F254-L539 HydrophobicContact CD2-CG 4.09Å; F254-L539 HydrophobicContact CE2-CB 3.96Å; F254-L539 HydrophobicContact CE2-CD1 3.79Å; F254-L539 HydrophobicContact CE2-CG 4.01Å; F254-A545 HydrophobicContact CD1-CB 3.66Å; F254-A545 HydrophobicContact CD2-CB 4.23Å; F254-A545 HydrophobicContact CE1-CB 3.61Å; F254-A545 HydrophobicContact CE2-CB 4.18Å; F254-A545 HydrophobicContact CG-CB 3.98Å; F254-A545 HydrophobicContact CZ-CB 3.88Å
255T93.3Very high85Confident13 Ų1339.3 Ų39.38%0.0821%0.214CC..EExtended strand (participates in β ladder)trans-111.4111162.4-50.30000107V38 V509 R534 M535 E536V38-T255 PolarHBondContact N-O 3.02Å; V38-T255 PolarHBondContact O-N 3.43Å; T255-V509 HydrophobicContact CG2-CG1 4.02Å; T255-V509 HydrophobicContact CG2-CG2 4.22Å; T255-R534 HydrophobicContact CG2-CG 4.23Å; T255-M535 WeakPolarHBondContact CA-O 3.38Å; T255-E536 HydrophobicContact CG2-CG 3.79Å
256V91.1Very high84.8Confident0 Ų036.5 Ų36.50%021%0.206CC..EExtended strand (participates in β ladder)trans-118.5132.5-176.1-176.30000109.2L30 D36 F37 F254 I258 R534 M535 F537 I549L30-V256 HydrophobicContact CD1-CG1 3.71Å; D36-V256 CarbonylContact O-C 3.53Å; D36-V256 WeakPolarHBondContact O-CA 3.46Å; F37-V256 HydrophobicContact CD2-CG1 4.06Å; F37-V256 HydrophobicContact CD2-CG2 3.84Å; F37-V256 HydrophobicContact CE2-CG1 4.45Å; F37-V256 HydrophobicContact CE2-CG2 3.8Å; F254-V256 HydrophobicContact CB-CG2 4.13Å; V256-I258 HydrophobicContact CG1-CG1 4.39Å; V256-R534 WeakPolarHBondContact O-CA 3.28Å; V256-M535 HydrophobicContact CB-CG 3.87Å; V256-M535 HydrophobicContact CB-SD 4.43Å; V256-M535 PolarHBondContact N-O 3.39Å; V256-M535 WeakPolarHBondContact O-CG 3.35Å; V256-M535 PolarHBondContact O-N 3.39Å; V256-F537 HydrophobicContact CG2-CE1 4.32Å; V256-F537 HydrophobicContact CG2-CZ 4.25Å; V256-I549 HydrophobicContact CG1-CD1 3.83Å; V256-I549 HydrophobicContact CG1-CG1 4.46Å; V256-I549 HydrophobicContact CG2-CD1 4.26Å
257V88.2Confident84.8Confident0 Ų037.6 Ų37.60%021%0.207CC..EExtended strand (participates in β ladder)trans-110.6122.6170.3-179.60000108.5D36 L508 V509 A532 L533 R534D36-V257 HydrophobicContact CB-CB 4.09Å; D36-V257 PolarHBondContact O-N 3.24Å; V257-L508 HydrophobicContact CG1-CB 4.09Å; V257-L508 HydrophobicContact CG1-CD1 3.72Å; V257-L508 HydrophobicContact CG2-CB 4.24Å; V257-V509 HydrophobicContact CG2-CG2 3.37Å; V257-A532 HydrophobicContact CG1-CB 4.02Å; V257-L533 WeakPolarHBondContact CA-O 3.46Å; V257-R534 HydrophobicContact CG2-CB 4.1Å; V257-R534 HydrophobicContact CG2-CG 3.95Å
258I84.2Confident85Confident0 Ų037.3 Ų37.30%019%0.193CC..EExtended strand (participates in β ladder)trans-96.7107.7171.8-55.4179.2000106.4V256 I262 A532 L533 M535 I549 L553V256-I258 HydrophobicContact CG1-CG1 4.39Å; I258-I262 HydrophobicContact CG2-CG2 4.42Å; I258-A532 VanDerWaalsContact O-CA 3.26Å; I258-A532 WeakPolarHBondContact O-CA 3.4Å; I258-A532 WeakPolarHBondContact O-CB 3.38Å; I258-L533 HydrophobicContact CB-CB 4.39Å; I258-L533 HydrophobicContact CD1-CD2 4.48Å; I258-L533 PolarHBondContact N-O 2.73Å; I258-L533 PolarHBondContact O-N 2.78Å; I258-M535 HydrophobicContact CD1-CE 3.36Å; I258-M535 HydrophobicContact CD1-SD 4.14Å; I258-M535 HydrophobicContact CG1-CE 4.15Å; I258-I549 HydrophobicContact CD1-CG2 3.89Å; I258-L553 HydrophobicContact CD1-CD1 4.16Å; I258-L553 HydrophobicContact CD1-CD2 3.99Å; I258-L553 HydrophobicContact CD1-CG 4.14Å; I258-L553 HydrophobicContact CG2-CD1 4.34Å; I258-L553 HydrophobicContact CG2-CD2 4.3Å
259S70.8Confident85Confident3 Ų334.8 Ų34.82%0.02118%0.181CC..BIsolated β-bridgetrans-100.6171.3-170.266.30000113.1I29 E32I29-S259 WeakPolarHBondContact CB-O 3.24Å; I29-S259 PolarHBondContact N-O 2.97Å; I29-S259 PolarHBondContact O-N 3.15Å; E32-S259 PolarHBondContact OE2-OG 3.49Å
260R63Low84.9Confident45 Ų4538.8 Ų38.817%0.1720%0.199CC..SBendtrans59.783.8179.2-63.3-158.8-172.4-168.71.6115.2I29 E32 Y501I29-R260 HydrophobicContact CD1-CB 3.81Å; I29-R260 HydrophobicContact CD1-CG 4.18Å; I29-R260 HydrophobicContact CG1-CB 4.26Å; E32-R260 VanDerWaalsContact CD-NE 3.3Å; E32-R260 IonicContact OE1-CZ 3.34Å; E32-R260 IonicContact OE1-NE 2.86Å; E32-R260 PolarHBondContact OE1-NE 2.98Å; E32-R260 IonicContact OE1-NH2 2.73Å; E32-R260 PolarHBondContact OE1-NH2 3.23Å; E32-R260 WeakPolarHBondContact OE2-CG 3.4Å; E32-R260 IonicContact OE2-NE 3.64Å; E32-R260 PolarHBondContact OE2-NE 3.34Å; R260-Y501 VanDerWaalsContact CA-OH 3.3Å; R260-Y501 WeakPolarHBondContact CA-OH 3.41Å; R260-Y501 PolarHBondContact N-OH 3.41Å
261N65.3Low84.9Confident67 Ų6739.1 Ų39.136%0.35820%0.201SC..  trans5273.2167-15929.6000112.6S263 Y530 R531N261-S263 PolarHBondContact O-N 3.2Å; N261-Y530 HydrophobicContact CB-CD1 4.27Å; N261-R531 WeakPolarHBondContact CA-O 3.28Å; N261-R531 PolarHBondContact N-O 2.8Å; N261-R531 VanDerWaalsContact N-O 3.12Å
262I77.9Confident84.7Confident1 Ų139.2 Ų39.21%0.00520%0.201CC..  trans-47.4118.9166.950.5161.8000108.9F26 S27 I258 G264 V269 V498 R531 L533F26-I262 HydrophobicContact CD2-CB 4.44Å; F26-I262 HydrophobicContact CE2-CG2 4.34Å; S27-I262 WeakPolarHBondContact O-CA 3.42Å; I258-I262 HydrophobicContact CG2-CG2 4.42Å; I262-G264 PolarHBondContact O-N 2.87Å; I262-V269 HydrophobicContact CD1-CG2 4.03Å; I262-V498 HydrophobicContact CD1-CG1 4.1Å; I262-R531 HydrophobicContact CD1-CB 4.12Å; I262-R531 HydrophobicContact CG1-CB 3.51Å; I262-R531 PolarHBondContact N-O 3.35Å; I262-R531 PolarHBondContact O-NH1 3.44Å; I262-L533 HydrophobicContact CG2-CB 4.28Å
263S78.1Confident84.5Confident78 Ų7838.3 Ų38.355%0.54520%0.196SC..  trans-73.4-12.5-177.569.20000112.1S27 N261S27-S263 PolarHBondContact N-OG 2.78Å; S27-S263 PolarHBondContact O-N 3.43Å; S27-S263 VanDerWaalsContact O-N 3.15Å; N261-S263 PolarHBondContact O-N 3.2Å
264G77.8Confident84.3Confident0 Ų038.1 Ų38.10%020%0.201CC..SBendtrans-78.2147.8-176.600000112.9I262 R531I262-G264 PolarHBondContact O-N 2.87Å; G264-R531 PolarHBondContact O-NH1 2.86Å; G264-R531 PolarHBondContact O-NH2 2.79Å
265T85.5Confident84.2Confident71 Ų7138.8 Ų38.844%0.43621%0.206SC..  trans-69.2160.5168.463.70000110.3E267 Q268 V269T265-E267 PolarHBondContact O-N 3.04Å; T265-Q268 PolarHBondContact O-N 2.76Å; T265-Q268 WeakPolarHBondContact OG1-CG 3.27Å; T265-Q268 PolarHBondContact OG1-N 2.81Å; T265-Q268 PolarHBondContact OG1-OE1 2.87Å; T265-V269 WeakPolarHBondContact O-CG2 3.47Å; T265-V269 PolarHBondContact O-N 2.88Å; T265-V269 VanDerWaalsContact O-N 3.12Å
266D85.5Confident84.1Confident76 Ų7638.2 Ų38.241%0.40620%0.202SC..Hα-helixtrans-58.7-36.7176.3-69-17.2000110.9V269 H270 R531D266-V269 PolarHBondContact O-N 2.8Å; D266-H270 WeakPolarHBondContact O-CB 3.12Å; D266-H270 PolarHBondContact O-CD2 2.93Å; D266-H270 PolarHBondContact O-N 3.35Å; D266-R531 IonicContact OD1-CZ 2.86Å; D266-R531 IonicContact OD1-NE 3.9Å; D266-R531 IonicContact OD1-NH2 3.69Å; D266-R531 PolarHBondContact OD1-NH2 3.44Å
267E87.7Confident84.2Confident161 Ų16142.9 Ų42.975%0.75222%0.223SC*.Hα-helixtrans-60.2-46.6175.6-66.9174-179.200112.6T265 V269 H270 Q271T265-E267 PolarHBondContact O-N 3.04Å; E267-V269 VanDerWaalsContact C-N 3.32Å; E267-V269 PolarHBondContact O-N 2.78Å; E267-H270 PolarHBondContact O-N 3.45Å; E267-Q271 WeakPolarHBondContact O-CB 3.3Å; E267-Q271 PolarHBondContact O-N 2.75Å
268Q87.3Confident84.3Confident42 Ų4249.4 Ų49.420%0.19625%0.253CS..Hα-helixtrans-61.6-41.8177.1-74.8171-3100111.3E24 T265 Q271 A272E24-Q268 PolarHBondContact OE2-NE2 2.93Å; T265-Q268 PolarHBondContact O-N 2.76Å; T265-Q268 WeakPolarHBondContact OG1-CG 3.27Å; T265-Q268 PolarHBondContact OG1-N 2.81Å; T265-Q268 PolarHBondContact OG1-OE1 2.87Å; Q268-Q271 PolarHBondContact O-N 3.01Å; Q268-A272 WeakPolarHBondContact O-CB 3.17Å; Q268-A272 PolarHBondContact O-N 3.28Å
269V88.3Confident84.4Confident0 Ų051.4 Ų51.40%027%0.265CS..Hα-helixtrans-62.8-46.8176171.60000111F26 I262 T265 D266 E267 Q271 A272 M273 V498 L533F26-V269 HydrophobicContact CE1-CG2 4.29Å; F26-V269 HydrophobicContact CE2-CG2 4.22Å; F26-V269 HydrophobicContact CZ-CG2 3.94Å; I262-V269 HydrophobicContact CD1-CG2 4.03Å; T265-V269 WeakPolarHBondContact O-CG2 3.47Å; T265-V269 PolarHBondContact O-N 2.88Å; T265-V269 VanDerWaalsContact O-N 3.12Å; D266-V269 PolarHBondContact O-N 2.8Å; E267-V269 VanDerWaalsContact C-N 3.32Å; E267-V269 PolarHBondContact O-N 2.78Å; V269-Q271 VanDerWaalsContact C-N 3.35Å; V269-Q271 PolarHBondContact O-N 2.59Å; V269-A272 PolarHBondContact O-N 3.19Å; V269-M273 HydrophobicContact CG1-CG 4.37Å; V269-M273 WeakPolarHBondContact O-CB 3.47Å; V269-M273 VanDerWaalsContact O-CG 3.31Å; V269-M273 WeakPolarHBondContact O-CG 3.3Å; V269-M273 PolarHBondContact O-N 2.66Å; V269-V498 HydrophobicContact CG1-CG2 4.2Å; V269-L533 HydrophobicContact CG1-CD1 3.61Å; V269-L533 HydrophobicContact CG1-CD2 3.9Å; V269-L533 HydrophobicContact CG1-CG 4.36Å
270H90.1Very high85.5Confident101 Ų10151.2 Ų51.247%0.46826%0.264SS..Hα-helixtrans-63.6-38.9178.3-78.9-68.7000112.2D266 E267 G274 W496D266-H270 WeakPolarHBondContact O-CB 3.12Å; D266-H270 PolarHBondContact O-CD2 2.93Å; D266-H270 PolarHBondContact O-N 3.35Å; E267-H270 PolarHBondContact O-N 3.45Å; H270-G274 WeakPolarHBondContact O-CA 3.21Å; H270-G274 PolarHBondContact O-N 3.49Å; H270-W496 AromaticContact CE1-NE1 3.43Å; H270-W496 PolarHBondContact CE1-NE1 3.17Å; H270-W496 AromaticContact ND1-CE2 3.68Å; H270-W496 AromaticContact ND1-CZ2 3.65Å; H270-W496 AromaticContact ND1-NE1 3.13Å; H270-W496 PolarHBondContact ND1-NE1 2.92Å; H270-W496 VanDerWaalsContact ND1-NE1 3.13Å
271Q90.4Very high86.9Confident115 Ų11549.1 Ų49.154%0.53726%0.256SS..Hα-helixtrans-66.1-46.6176-172.4-178.91.100111.7H23 E267 Q268 V269 G274 S275H23-Q271 HydrophobicContact CB-CG 4.13Å; E267-Q271 WeakPolarHBondContact O-CB 3.3Å; E267-Q271 PolarHBondContact O-N 2.75Å; Q268-Q271 PolarHBondContact O-N 3.01Å; V269-Q271 VanDerWaalsContact C-N 3.35Å; V269-Q271 PolarHBondContact O-N 2.59Å; Q271-G274 PolarHBondContact O-N 3.5Å; Q271-S275 WeakPolarHBondContact O-CB 3.18Å; Q271-S275 PolarHBondContact O-N 2.77Å
272A90Very high88.3Confident2 Ų246.1 Ų46.12%0.01724%0.24CC..Hα-helixtrans-62-47.4178.700000111.6F26 Q268 V269 S275 L276 V552F26-A272 HydrophobicContact CE1-CB 4.1Å; Q268-A272 WeakPolarHBondContact O-CB 3.17Å; Q268-A272 PolarHBondContact O-N 3.28Å; V269-A272 PolarHBondContact O-N 3.19Å; A272-S275 PolarHBondContact O-N 2.79Å; A272-L276 PolarHBondContact O-N 2.98Å; A272-V552 HydrophobicContact CB-CG1 4.12Å
273M90.4Very high89.2Confident0 Ų046.3 Ų46.30%024%0.241CC..Hα-helixtrans-69.5-35.9178.7-67.1-53.7-6700112.7V269 L276 K277 V494 W496 M535 V552V269-M273 HydrophobicContact CG1-CG 4.37Å; V269-M273 WeakPolarHBondContact O-CB 3.47Å; V269-M273 VanDerWaalsContact O-CG 3.31Å; V269-M273 WeakPolarHBondContact O-CG 3.3Å; V269-M273 PolarHBondContact O-N 2.66Å; M273-L276 HydrophobicContact CE-CD2 4.14Å; M273-L276 PolarHBondContact O-N 2.65Å; M273-L276 HydrophobicContact SD-CD2 4.34Å; M273-K277 WeakPolarHBondContact O-CB 3.37Å; M273-K277 PolarHBondContact O-N 3.08Å; M273-V494 HydrophobicContact CE-CG1 3.9Å; M273-W496 HydrophobicContact CB-CD2 3.55Å; M273-W496 HydrophobicContact CB-CE3 3.77Å; M273-W496 HydrophobicContact CB-CG 4Å; M273-W496 HydrophobicContact CB-CH2 4.18Å; M273-W496 HydrophobicContact CB-CZ2 3.97Å; M273-W496 HydrophobicContact CB-CZ3 4.08Å; M273-W496 HydrophobicContact CE-CB 3.91Å; M273-W496 HydrophobicContact CE-CD2 4.42Å; M273-W496 HydrophobicContact CE-CE3 4.24Å; M273-W496 HydrophobicContact CE-CG 4.31Å; M273-W496 HydrophobicContact CG-CB 4.2Å; M273-W496 HydrophobicContact CG-CD2 3.92Å; M273-W496 HydrophobicContact CG-CE3 4.41Å; M273-W496 HydrophobicContact CG-CG 3.8Å; M273-M535 HydrophobicContact CE-CB 3.79Å; M273-M535 HydrophobicContact CE-CE 4.45Å; M273-M535 HydrophobicContact SD-CE 3.93Å; M273-V552 HydrophobicContact SD-CG1 3.98Å; M273-V552 HydrophobicContact SD-CG2 3.77Å
274G92Very high89.9Confident18 Ų1842.7 Ų42.719%0.18622%0.216CC..Hα-helixtrans-60.1-45.3172.200000111.8H270 Q271 K277 Q278H270-G274 WeakPolarHBondContact O-CA 3.21Å; H270-G274 PolarHBondContact O-N 3.49Å; Q271-G274 PolarHBondContact O-N 3.5Å; G274-K277 PolarHBondContact O-N 2.95Å; G274-Q278 WeakPolarHBondContact O-CB 3.23Å; G274-Q278 WeakPolarHBondContact O-CG 3.46Å; G274-Q278 PolarHBondContact O-N 3.34Å
275S91.4Very high90.6Very high21 Ų2143.7 Ų43.715%0.14722%0.22CC..Hα-helixtrans-64-43.9176.2-171.20000112S21 Q271 A272 K277 Q278 T279 G280S21-S275 VanDerWaalsContact CB-OG 3.23Å; S21-S275 WeakPolarHBondContact CB-OG 3.38Å; S21-S275 WeakPolarHBondContact OG-CB 3.33Å; S21-S275 PolarHBondContact OG-OG 2.81Å; Q271-S275 WeakPolarHBondContact O-CB 3.18Å; Q271-S275 PolarHBondContact O-N 2.77Å; A272-S275 PolarHBondContact O-N 2.79Å; S275-K277 VanDerWaalsContact C-N 3.29Å; S275-K277 PolarHBondContact O-N 2.66Å; S275-Q278 PolarHBondContact O-N 3.31Å; S275-T279 PolarHBondContact O-N 3.29Å; S275-G280 PolarHBondContact O-N 3.4Å
276L91.7Very high90.7Very high1 Ų140.3 Ų40.31%0.00520%0.199CC..Hα-helixtrans-60.4-38.2175.5-175.369.9000112.1A272 M273 G280 F281 P491 A548 V552A272-L276 PolarHBondContact O-N 2.98Å; M273-L276 HydrophobicContact CE-CD2 4.14Å; M273-L276 PolarHBondContact O-N 2.65Å; M273-L276 HydrophobicContact SD-CD2 4.34Å; L276-G280 WeakPolarHBondContact O-CA 3.37Å; L276-G280 PolarHBondContact O-N 3.15Å; L276-G280 VanDerWaalsContact O-N 3.16Å; L276-F281 HydrophobicContact CD1-CB 4.1Å; L276-F281 HydrophobicContact CD1-CD1 3.83Å; L276-F281 HydrophobicContact CD1-CG 4.35Å; L276-P491 HydrophobicContact CD1-CG 4.08Å; L276-P491 HydrophobicContact CG-CG 4.1Å; L276-A548 HydrophobicContact CD1-CB 4.3Å; L276-V552 HydrophobicContact CB-CG2 4.37Å; L276-V552 HydrophobicContact CD2-CG2 3.75Å; L276-V552 HydrophobicContact CG-CG2 4.48Å
277K93.3Very high90.6Very high98 Ų9837.7 Ų37.743%0.42618%0.184SC..Hα-helixtrans-74-33.5179.4-176.3170.5-178.7166.50113.5M273 G274 S275 R490 V494 W496M273-K277 WeakPolarHBondContact O-CB 3.37Å; M273-K277 PolarHBondContact O-N 3.08Å; G274-K277 PolarHBondContact O-N 2.95Å; S275-K277 VanDerWaalsContact C-N 3.29Å; S275-K277 PolarHBondContact O-N 2.66Å; K277-R490 PolarHBondContact O-NE 3.15Å; K277-R490 PolarHBondContact O-NH2 3.3Å; K277-R490 VanDerWaalsContact O-NH2 3.15Å; K277-V494 HydrophobicContact CB-CB 4.21Å; K277-V494 HydrophobicContact CB-CG1 4.27Å; K277-V494 HydrophobicContact CB-CG2 4.47Å; K277-V494 HydrophobicContact CD-CB 4.23Å; K277-V494 HydrophobicContact CG-CB 4.13Å; K277-V494 HydrophobicContact CG-CG2 4.5Å; K277-W496 HydrophobicContact CD-CZ3 4.17Å
278Q89.4Confident90.2Very high137 Ų13733.4 Ų33.464%0.6417%0.165SC*.Hα-helixtrans-86.5-53.4-177.5-70.2179.47.100112.3G274 S275 R490G274-Q278 WeakPolarHBondContact O-CB 3.23Å; G274-Q278 WeakPolarHBondContact O-CG 3.46Å; G274-Q278 PolarHBondContact O-N 3.34Å; S275-Q278 PolarHBondContact O-N 3.31Å; Q278-R490 PolarHBondContact O-NE 3.03Å
279T87.7Confident90Very high42 Ų4234.9 Ų34.926%0.25817%0.168SC..THydrogen-bonded Turntrans-102.7-29.9-171.9-41.90000112.3V20 S275 L407 H435 I488V20-T279 HydrophobicContact CG1-CG2 3.42Å; V20-T279 VanDerWaalsContact CG1-CG2 3.42Å; S275-T279 PolarHBondContact O-N 3.29Å; T279-L407 HydrophobicContact CG2-CD1 4.45Å; T279-H435 PolarHBondContact O-NE2 3.3Å; T279-I488 VanDerWaalsContact O-CG2 3.31Å; T279-I488 WeakPolarHBondContact O-CG2 3.2Å
280G91.9Very high89.6Confident0 Ų034.9 Ų34.90%017%0.168CC..  trans86.4-150.5-176.300000113.3S275 L276 I489S275-G280 PolarHBondContact O-N 3.4Å; L276-G280 WeakPolarHBondContact O-CA 3.37Å; L276-G280 PolarHBondContact O-N 3.15Å; L276-G280 VanDerWaalsContact O-N 3.16Å; G280-I489 VanDerWaalsContact CA-O 3.28Å; G280-I489 WeakPolarHBondContact CA-O 3.36Å
281F94.4Very high88.5Confident0 Ų031.2 Ų31.20%016%0.158CC..EExtended strand (participates in β ladder)trans-142.8161-176.266.7-78000111.3L276 N283 I488 I489 P491 L539 T543 M547 A548 E551L276-F281 HydrophobicContact CD1-CB 4.1Å; L276-F281 HydrophobicContact CD1-CD1 3.83Å; L276-F281 HydrophobicContact CD1-CG 4.35Å; F281-N283 PolarHBondContact O-N 3.32Å; F281-I488 WeakPolarHBondContact O-CA 3.46Å; F281-I489 WeakPolarHBondContact CD1-O 3.48Å; F281-I489 HydrophobicContact CE1-CB 4.12Å; F281-I489 HydrophobicContact CE1-CG2 4.04Å; F281-I489 HydrophobicContact CZ-CB 4.17Å; F281-I489 HydrophobicContact CZ-CG2 4.24Å; F281-I489 PolarHBondContact N-O 2.84Å; F281-I489 PolarHBondContact O-N 3.48Å; F281-P491 HydrophobicContact CD1-CG 4.09Å; F281-P491 HydrophobicContact CE1-CG 3.92Å; F281-L539 HydrophobicContact CE1-CD2 3.67Å; F281-L539 HydrophobicContact CZ-CD1 4.29Å; F281-L539 HydrophobicContact CZ-CD2 3.9Å; F281-T543 HydrophobicContact CE2-CG2 4.04Å; F281-T543 HydrophobicContact CZ-CG2 3.46Å; F281-T543 VanDerWaalsContact CZ-CG2 3.46Å; F281-M547 HydrophobicContact CD2-CB 3.89Å; F281-M547 HydrophobicContact CE2-CB 3.85Å; F281-A548 HydrophobicContact CD1-CB 3.83Å; F281-A548 HydrophobicContact CD2-CB 4.31Å; F281-A548 HydrophobicContact CE1-CB 3.76Å; F281-A548 HydrophobicContact CE2-CB 4.24Å; F281-A548 HydrophobicContact CG-CB 4.11Å; F281-A548 HydrophobicContact CZ-CB 3.95Å; F281-E551 HydrophobicContact CB-CB 3.77Å; F281-E551 HydrophobicContact CB-CG 3.91Å
282I94.4Very high86.9Confident4 Ų430.4 Ų30.42%0.02116%0.161CC..EExtended strand (participates in β ladder)trans-72.5129.2176.9-56.1163.3000109.8K18 V20 Y284 V398 I402K18-I282 HydrophobicContact CB-CD1 3.95Å; V20-I282 HydrophobicContact CG2-CD1 4.29Å; V20-I282 HydrophobicContact CG2-CG1 3.64Å; I282-Y284 HydrophobicContact CB-CD2 3.79Å; I282-Y284 HydrophobicContact CB-CE2 3.52Å; I282-Y284 HydrophobicContact CD1-CE2 3.8Å; I282-Y284 HydrophobicContact CG1-CE2 4.26Å; I282-Y284 HydrophobicContact CG2-CD1 4.15Å; I282-Y284 HydrophobicContact CG2-CD2 3.64Å; I282-Y284 HydrophobicContact CG2-CE1 3.89Å; I282-Y284 HydrophobicContact CG2-CE2 3.35Å; I282-Y284 HydrophobicContact CG2-CG 4.04Å; I282-Y284 VanDerWaalsContact CG2-CZ 3.46Å; I282-Y284 PolarHBondContact O-N 3.24Å; I282-V398 HydrophobicContact CG2-CG1 3.53Å; I282-I402 HydrophobicContact CD1-CG1 4.33Å; I282-I402 HydrophobicContact CD1-CG2 4.48Å
283N95.1Very high85.3Confident5 Ų534 Ų343%0.02718%0.182CC..  trans-80.445-171-165.918.9000114.2F281 W394 R485 R486 V487 I489F281-N283 PolarHBondContact O-N 3.32Å; N283-W394 HydrophobicContact CB-CH2 4.21Å; N283-W394 VanDerWaalsContact O-CH2 3.29Å; N283-W394 WeakPolarHBondContact O-CH2 3.43Å; N283-W394 WeakPolarHBondContact O-CZ3 3.34Å; N283-R485 VanDerWaalsContact ND2-CZ 3.34Å; N283-R485 PolarHBondContact ND2-NE 3.19Å; N283-R485 PolarHBondContact ND2-NH2 3.41Å; N283-R485 PolarHBondContact O-NE 3.4Å; N283-R485 PolarHBondContact O-NH2 3.33Å; N283-R485 PolarHBondContact OD1-NH2 2.96Å; N283-R486 VanDerWaalsContact CB-O 3.25Å; N283-R486 WeakPolarHBondContact CB-O 3.47Å; N283-R486 PolarHBondContact ND2-O 3.06Å; N283-V487 WeakPolarHBondContact CB-O 3.49Å; N283-V487 PolarHBondContact N-O 3.38Å; N283-I489 HydrophobicContact CB-CG1 3.78Å; N283-I489 VanDerWaalsContact CG-CG1 3.44Å; N283-I489 WeakPolarHBondContact ND2-CG1 3.48Å
284Y94.6Very high83.7Confident3 Ų335.5 Ų35.51%0.01220%0.195CC..PPolyproline II helixtrans-56.2151.3178.1-69.6-61.5000112.7I16 I282 G286 N395 V398 S399 Y544I16-Y284 HydrophobicContact CG1-CD1 4.27Å; I16-Y284 HydrophobicContact CG1-CG 4.12Å; I16-Y284 HydrophobicContact CG2-CD2 3.83Å; I16-Y284 HydrophobicContact CG2-CE2 4.15Å; I16-Y284 HydrophobicContact CG2-CG 4.14Å; I282-Y284 HydrophobicContact CB-CD2 3.79Å; I282-Y284 HydrophobicContact CB-CE2 3.52Å; I282-Y284 HydrophobicContact CD1-CE2 3.8Å; I282-Y284 HydrophobicContact CG1-CE2 4.26Å; I282-Y284 HydrophobicContact CG2-CD1 4.15Å; I282-Y284 HydrophobicContact CG2-CD2 3.64Å; I282-Y284 HydrophobicContact CG2-CE1 3.89Å; I282-Y284 HydrophobicContact CG2-CE2 3.35Å; I282-Y284 HydrophobicContact CG2-CG 4.04Å; I282-Y284 VanDerWaalsContact CG2-CZ 3.46Å; I282-Y284 PolarHBondContact O-N 3.24Å; Y284-G286 PolarHBondContact O-N 3.32Å; Y284-N395 HydrophobicContact CD1-CB 3.99Å; Y284-N395 HydrophobicContact CE1-CB 4.43Å; Y284-V398 HydrophobicContact CE1-CB 4.25Å; Y284-V398 HydrophobicContact CE1-CG1 3.9Å; Y284-S399 PolarHBondContact OH-OG 3.29Å; Y284-Y544 WeakPolarHBondContact O-CD2 3.42Å
285Y91.7Very high82.4Confident20 Ų2035.1 Ų35.18%0.07819%0.189CC..PPolyproline II helixtrans-72.9116.3160.6-73.8-82.2000108.6I16 R289 F290 S391 W394 N395 L441 Y544I16-Y285 WeakPolarHBondContact CD1-O 3.32Å; Y285-R289 HydrophobicContact CD1-CB 4.43Å; Y285-R289 HydrophobicContact CD1-CG 3.89Å; Y285-R289 HydrophobicContact CG-CG 4.38Å; Y285-F290 WeakPolarHBondContact O-CE2 3.49Å; Y285-S391 VanDerWaalsContact CD1-OG 3.26Å; Y285-S391 WeakPolarHBondContact CD1-OG 3.49Å; Y285-S391 VanDerWaalsContact CD2-CB 3.47Å; Y285-S391 WeakPolarHBondContact CD2-OG 3.29Å; Y285-S391 WeakPolarHBondContact CE1-OG 3.48Å; Y285-S391 VanDerWaalsContact CG-CB 3.45Å; Y285-S391 VanDerWaalsContact CG-OG 3.24Å; Y285-W394 AromaticContact CD2-CE3 3.99Å; Y285-W394 HydrophobicContact CD2-CE3 3.99Å; Y285-W394 HydrophobicContact CE2-CD2 4.24Å; Y285-W394 HydrophobicContact CE2-CE3 4.11Å; Y285-W394 HydrophobicContact CE2-CG 4.42Å; Y285-N395 PolarHBondContact N-OD1 3.04Å; Y285-N395 PolarHBondContact O-ND2 3.45Å; Y285-N395 VanDerWaalsContact O-ND2 3.14Å; Y285-L441 HydrophobicContact CE2-CD2 4Å; Y285-Y544 AromaticContact CD1-CE2 3.6Å; Y285-Y544 HydrophobicContact CD1-CE2 3.6Å; Y285-Y544 AromaticContact CD1-CZ 3.96Å; Y285-Y544 HydrophobicContact CE1-CE2 4.23Å; Y285-Y544 HydrophobicContact CG-CE2 4.33Å
286G87.5Confident81.6Confident0 Ų035.3 Ų35.30%019%0.19CC..PPolyproline II helixtrans-69.4166.9-18000000113.4Y284 Q288 R289Y284-G286 PolarHBondContact O-N 3.32Å; G286-Q288 PolarHBondContact O-N 2.94Å; G286-R289 VanDerWaalsContact O-CB 3.32Å; G286-R289 WeakPolarHBondContact O-CB 3.41Å; G286-R289 PolarHBondContact O-N 3.46Å
287M82.7Confident81.3Confident21 Ų2136.3 Ų36.310%0.10320%0.196CC..G310 helixtrans-54.1-26.6-178.7-63-56.9-7200113.8L9 E11 V14 I16 R289 F290L9-M287 HydrophobicContact CB-CE 3.98Å; L9-M287 HydrophobicContact CD2-CE 4.1Å; L9-M287 HydrophobicContact CG-CE 4.11Å; L9-M287 WeakPolarHBondContact O-CE 3.38Å; E11-M287 HydrophobicContact CG-CG 4.35Å; E11-M287 HydrophobicContact CG-SD 4.1Å; V14-M287 HydrophobicContact CG2-CE 4.47Å; V14-M287 HydrophobicContact CG2-SD 3.57Å; V14-M287 VanDerWaalsContact CG2-SD 3.57Å; I16-M287 HydrophobicContact CD1-SD 4.34Å; M287-R289 PolarHBondContact O-N 3.42Å; M287-F290 PolarHBondContact O-N 2.89Å
288Q79.6Confident80.9Confident72 Ų7232.7 Ų32.734%0.33618%0.181SC..G310 helixtrans-61-27.4176.1-52.289.5-21.300112.6G286 F290 T546G286-Q288 PolarHBondContact O-N 2.94Å; Q288-F290 VanDerWaalsContact C-N 3.34Å; Q288-T546 PolarHBondContact NE2-OG1 3.27Å; Q288-T546 PolarHBondContact OE1-OG1 3Å
289R83.1Confident80.7Confident72 Ų7229.1 Ų29.127%0.27216%0.164SC..G310 helixtrans-71.8-29.7179.3-172.155.9168.5-169.7-3.2112.7Y285 G286 M287 G291 H387Y285-R289 HydrophobicContact CD1-CB 4.43Å; Y285-R289 HydrophobicContact CD1-CG 3.89Å; Y285-R289 HydrophobicContact CG-CG 4.38Å; G286-R289 VanDerWaalsContact O-CB 3.32Å; G286-R289 WeakPolarHBondContact O-CB 3.41Å; G286-R289 PolarHBondContact O-N 3.46Å; M287-R289 PolarHBondContact O-N 3.42Å; R289-G291 VanDerWaalsContact C-N 3.3Å; R289-H387 VanDerWaalsContact NH2-CB 3.28Å
290F79.9Confident80.8Confident1 Ų127.1 Ų27.10%0.00415%0.152CC..G310 helixtrans-91.85.6-176.9-51.1-62.8000113.2L9 V14 Y285 M287 Q288 T297 Q298 S388 V392 N395L9-F290 HydrophobicContact CD2-CB 3.96Å; V14-F290 HydrophobicContact CB-CD2 3.78Å; V14-F290 HydrophobicContact CB-CE2 3.61Å; V14-F290 HydrophobicContact CB-CG 4.36Å; V14-F290 HydrophobicContact CB-CZ 4.09Å; V14-F290 HydrophobicContact CG1-CB 4.29Å; V14-F290 HydrophobicContact CG1-CD1 4.36Å; V14-F290 HydrophobicContact CG1-CD2 3.61Å; V14-F290 HydrophobicContact CG1-CE2 3.98Å; V14-F290 HydrophobicContact CG1-CG 3.81Å; V14-F290 HydrophobicContact CG2-CD2 3.95Å; V14-F290 HydrophobicContact CG2-CE2 3.8Å; Y285-F290 WeakPolarHBondContact O-CE2 3.49Å; M287-F290 PolarHBondContact O-N 2.89Å; Q288-F290 VanDerWaalsContact C-N 3.34Å; F290-T297 VanDerWaalsContact CA-OG1 3.25Å; F290-T297 WeakPolarHBondContact CA-OG1 3.29Å; F290-T297 PolarHBondContact O-N 3.31Å; F290-T297 PolarHBondContact O-OG1 3.21Å; F290-T297 VanDerWaalsContact O-OG1 3.11Å; F290-Q298 HydrophobicContact CD1-CB 4.46Å; F290-S388 WeakPolarHBondContact CE1-O 3.37Å; F290-V392 HydrophobicContact CD1-CG2 3.68Å; F290-V392 HydrophobicContact CE1-CB 4.32Å; F290-V392 HydrophobicContact CE1-CG2 3.25Å; F290-V392 HydrophobicContact CZ-CG2 3.93Å; F290-N395 WeakPolarHBondContact CZ-ND2 3.44Å
291G67.9Low80.7Confident24 Ų2427.1 Ų27.125%0.24715%0.152CC..  trans89.1138.3-176.200000111.9R289 T293R289-G291 VanDerWaalsContact C-N 3.3Å; G291-T293 VanDerWaalsContact C-N 3.32Å
292T56.2Low80.5Confident97 Ų9730.3 Ų30.360%0.59516%0.164SC*.SBendtrans-87.5-5.3170.749.50000112.7I559T292-I559 HydrophobicContact CG2-CD1 4.08Å
293T57.6Low80.3Confident77 Ų7730.1 Ų30.147%0.47216%0.163SC..SBendtrans-100.7166.7178.446.60000111G291 V295G291-T293 VanDerWaalsContact C-N 3.32Å; T293-V295 PolarHBondContact O-N 2.96Å
294A55.4Low80.1Confident32 Ų3229.9 Ų29.926%0.26416%0.161SC..SBendtrans-69.515.4-176.700000115.1P296 R320 E324A294-P296 WeakPolarHBondContact O-CD 3.29Å; A294-R320 WeakPolarHBondContact O-CD 3.48Å; A294-R320 PolarHBondContact O-NH1 2.68Å; A294-E324 HydrophobicContact CB-CG 4.02Å
295V66.2Low79.8Confident11 Ų1130.4 Ų30.47%0.06717%0.165CC..SBendtrans-102.6105.5172.1-175.30000108.5T293 T297 V300 L315 R332T293-V295 PolarHBondContact O-N 2.96Å; V295-T297 PolarHBondContact O-N 3.48Å; V295-V300 HydrophobicContact CG1-CG2 3.93Å; V295-L315 WeakPolarHBondContact CG1-O 3.37Å; V295-R332 VanDerWaalsContact CG2-NH2 3.29Å
296P73.8Confident79.6Confident24 Ų2434 Ų3416%0.15618%0.178CC..  trans-64.4101.1173.1-18.132.1000108.9A294 Q298 Q299 V300A294-P296 WeakPolarHBondContact O-CD 3.29Å; P296-Q298 PolarHBondContact O-N 3.01Å; P296-Q299 HydrophobicContact CB-CB 4.27Å; P296-Q299 HydrophobicContact CB-CG 3.85Å; P296-Q299 PolarHBondContact O-N 3.17Å; P296-Q299 VanDerWaalsContact O-N 3.07Å; P296-V300 PolarHBondContact O-N 3.49Å
297T84.9Confident79.6Confident22 Ų2236.6 Ų36.614%0.13519%0.192CC..Hα-helixtrans-61.4-31.2-173.7550000112F290 V295 Q299 V300 G301 Y385 S388F290-T297 VanDerWaalsContact CA-OG1 3.25Å; F290-T297 WeakPolarHBondContact CA-OG1 3.29Å; F290-T297 PolarHBondContact O-N 3.31Å; F290-T297 PolarHBondContact O-OG1 3.21Å; F290-T297 VanDerWaalsContact O-OG1 3.11Å; V295-T297 PolarHBondContact O-N 3.48Å; T297-Q299 VanDerWaalsContact C-N 3.34Å; T297-Q299 PolarHBondContact O-N 3.36Å; T297-V300 WeakPolarHBondContact O-CB 3.35Å; T297-V300 PolarHBondContact O-N 2.88Å; T297-G301 PolarHBondContact O-N 2.63Å; T297-Y385 HydrophobicContact CG2-CD1 4.18Å; T297-Y385 HydrophobicContact CG2-CE1 4.06Å; T297-S388 WeakPolarHBondContact CB-OG 3.4Å; T297-S388 PolarHBondContact O-OG 3.49Å; T297-S388 WeakPolarHBondContact OG1-CB 3.32Å; T297-S388 PolarHBondContact OG1-OG 3Å; T297-S388 VanDerWaalsContact OG1-OG 3.1Å
298Q84.4Confident79.9Confident22 Ų2238.6 Ų38.610%0.10320%0.203CC..Hα-helixtrans-61.9-38.6176.565.591.8-17.300112.7F290 P296 V300 G301 R302 S388 V392F290-Q298 HydrophobicContact CD1-CB 4.46Å; P296-Q298 PolarHBondContact O-N 3.01Å; Q298-V300 VanDerWaalsContact C-N 3.34Å; Q298-V300 PolarHBondContact O-N 3.27Å; Q298-G301 PolarHBondContact O-N 3.17Å; Q298-R302 PolarHBondContact O-N 3.19Å; Q298-S388 WeakPolarHBondContact CA-OG 3.32Å; Q298-S388 PolarHBondContact N-OG 3.19Å; Q298-V392 HydrophobicContact CB-CG2 3.52Å; Q298-V392 HydrophobicContact CG-CG2 3.79Å
299Q86.8Confident80.3Confident62 Ų6236.4 Ų36.429%0.2919%0.191SC..Hα-helixtrans-69-37.8179.5-66.4179.3-2.300110.9P296 T297 R302 A303 L315P296-Q299 HydrophobicContact CB-CB 4.27Å; P296-Q299 HydrophobicContact CB-CG 3.85Å; P296-Q299 PolarHBondContact O-N 3.17Å; P296-Q299 VanDerWaalsContact O-N 3.07Å; T297-Q299 VanDerWaalsContact C-N 3.34Å; T297-Q299 PolarHBondContact O-N 3.36Å; Q299-R302 PolarHBondContact O-N 3.3Å; Q299-A303 PolarHBondContact O-N 3.4Å; Q299-L315 HydrophobicContact CB-CD1 4.03Å; Q299-L315 HydrophobicContact CB-CD2 4.46Å; Q299-L315 WeakPolarHBondContact O-CD1 3.29Å
300V88.9Confident80.6Confident0 Ų038 Ų380%021%0.205CC..Hα-helixtrans-63.4-44.6172.9-1780000109.9V295 P296 T297 Q298 R302 A303 I304 V312 L315 I316 Y385V295-V300 HydrophobicContact CG1-CG2 3.93Å; P296-V300 PolarHBondContact O-N 3.49Å; T297-V300 WeakPolarHBondContact O-CB 3.35Å; T297-V300 PolarHBondContact O-N 2.88Å; Q298-V300 VanDerWaalsContact C-N 3.34Å; Q298-V300 PolarHBondContact O-N 3.27Å; V300-R302 VanDerWaalsContact C-N 3.35Å; V300-R302 PolarHBondContact O-N 3.39Å; V300-A303 PolarHBondContact O-N 3.26Å; V300-I304 HydrophobicContact CG1-CD1 4.02Å; V300-I304 HydrophobicContact CG1-CG1 4.49Å; V300-I304 VanDerWaalsContact O-CG1 3.28Å; V300-I304 WeakPolarHBondContact O-CG1 3.45Å; V300-I304 PolarHBondContact O-N 2.76Å; V300-V312 HydrophobicContact CG1-CG1 4.21Å; V300-L315 HydrophobicContact CG2-CB 3.79Å; V300-L315 HydrophobicContact CG2-CD1 4.35Å; V300-I316 HydrophobicContact CG1-CD1 4.24Å; V300-I316 HydrophobicContact CG1-CG1 4.4Å; V300-I316 HydrophobicContact CG2-CG1 4.37Å; V300-Y385 HydrophobicContact CB-CD1 3.68Å; V300-Y385 HydrophobicContact CB-CE1 4.19Å; V300-Y385 HydrophobicContact CB-CG 4.12Å; V300-Y385 HydrophobicContact CG1-CD1 3.69Å; V300-Y385 HydrophobicContact CG1-CD2 4.15Å; V300-Y385 HydrophobicContact CG1-CE1 4.1Å; V300-Y385 HydrophobicContact CG1-CG 3.73Å; V300-Y385 HydrophobicContact CG2-CD1 4.25Å; V300-Y385 HydrophobicContact CG2-CE1 4.31Å
301G90Very high81Confident0 Ų041 Ų410%022%0.219CC..Hα-helixtrans-57.7-45.5175.800000112.7T297 Q298 I304 L305 Y385T297-G301 PolarHBondContact O-N 2.63Å; Q298-G301 PolarHBondContact O-N 3.17Å; G301-I304 PolarHBondContact O-N 3.5Å; G301-L305 WeakPolarHBondContact O-CG 3.37Å; G301-L305 PolarHBondContact O-N 2.78Å; G301-Y385 WeakPolarHBondContact CA-O 3.4Å
302R90.1Very high82Confident67 Ų6739.8 Ų39.825%0.25321%0.207SC..Hα-helixtrans-60.3-46.4175.4-175.217563.7-179.9-1.9112.3Q298 Q299 V300 I304 L305 R306 Y389 D464Q298-R302 PolarHBondContact O-N 3.19Å; Q299-R302 PolarHBondContact O-N 3.3Å; V300-R302 VanDerWaalsContact C-N 3.35Å; V300-R302 PolarHBondContact O-N 3.39Å; R302-I304 VanDerWaalsContact C-N 3.33Å; R302-I304 PolarHBondContact O-N 2.94Å; R302-L305 PolarHBondContact O-N 3.14Å; R302-R306 WeakPolarHBondContact O-CG 2.95Å; R302-R306 PolarHBondContact O-N 3.04Å; R302-Y389 HydrophobicContact CB-CD2 3.76Å; R302-Y389 HydrophobicContact CB-CE2 3.9Å; R302-Y389 HydrophobicContact CB-CG 4.49Å; R302-Y389 HydrophobicContact CG-CD2 4.39Å; R302-Y389 HydrophobicContact CG-CE2 4.01Å; R302-D464 VanDerWaalsContact CD-CG 3.49Å; R302-D464 WeakPolarHBondContact CD-OD1 3.15Å; R302-D464 IonicContact CZ-OD1 2.66Å; R302-D464 IonicContact NE-OD1 2.65Å; R302-D464 IonicContact NH1-OD1 3.77Å; R302-D464 PolarHBondContact NH1-OD1 3.09Å
303A90.8Very high83.5Confident0 Ų035.6 Ų35.60%018%0.182CC..Hα-helixtrans-62.5-39.417800000112.1Q299 V300 R306 N307 D308 Q311 V312 L315Q299-A303 PolarHBondContact O-N 3.4Å; V300-A303 PolarHBondContact O-N 3.26Å; A303-R306 PolarHBondContact O-N 2.99Å; A303-N307 PolarHBondContact O-N 3.43Å; A303-D308 PolarHBondContact O-N 2.77Å; A303-Q311 HydrophobicContact CB-CB 4.21Å; A303-Q311 HydrophobicContact CB-CG 4Å; A303-V312 HydrophobicContact CB-CG2 3.63Å; A303-L315 HydrophobicContact CB-CD1 4.05Å
304I90.1Very high84.9Confident0 Ų034.4 Ų34.40%017%0.172CC..Hα-helixtrans-59.4-48.6173.8-68.8166000110.2V300 G301 R302 R306 N307 W309 V312 F374 Y385 V386 H473 Y478V300-I304 HydrophobicContact CG1-CD1 4.02Å; V300-I304 HydrophobicContact CG1-CG1 4.49Å; V300-I304 VanDerWaalsContact O-CG1 3.28Å; V300-I304 WeakPolarHBondContact O-CG1 3.45Å; V300-I304 PolarHBondContact O-N 2.76Å; G301-I304 PolarHBondContact O-N 3.5Å; R302-I304 VanDerWaalsContact C-N 3.33Å; R302-I304 PolarHBondContact O-N 2.94Å; I304-R306 VanDerWaalsContact C-N 3.3Å; I304-R306 PolarHBondContact O-N 3.48Å; I304-N307 PolarHBondContact O-N 2.74Å; I304-W309 HydrophobicContact CG2-CH2 4.26Å; I304-V312 HydrophobicContact CB-CG2 4.45Å; I304-V312 HydrophobicContact CG1-CG1 4.28Å; I304-V312 HydrophobicContact CG1-CG2 3.61Å; I304-F374 HydrophobicContact CD1-CE1 4.04Å; I304-F374 HydrophobicContact CD1-CZ 3.85Å; I304-Y385 HydrophobicContact CD1-CD2 4.35Å; I304-Y385 HydrophobicContact CD1-CG 4.4Å; I304-V386 HydrophobicContact CB-CG2 4.39Å; I304-V386 HydrophobicContact CD1-CG2 4.33Å; I304-V386 HydrophobicContact CG2-CG2 3.92Å; I304-H473 PolarHBondContact O-NE2 2.65Å; I304-H473 VanDerWaalsContact O-NE2 3.13Å; I304-Y478 HydrophobicContact CG2-CD1 3.88Å; I304-Y478 HydrophobicContact CG2-CD2 3.95Å; I304-Y478 HydrophobicContact CG2-CE1 4.18Å; I304-Y478 HydrophobicContact CG2-CE2 4.34Å; I304-Y478 HydrophobicContact CG2-CG 3.75Å
305L87.6Confident86.3Confident15 Ų1534.1 Ų34.18%0.07917%0.166CC..Hα-helixtrans-65-32.5-177.9-69.9172.9000113G301 R302 N307 V386 Y389 L466 L480G301-L305 WeakPolarHBondContact O-CG 3.37Å; G301-L305 PolarHBondContact O-N 2.78Å; R302-L305 PolarHBondContact O-N 3.14Å; L305-N307 PolarHBondContact O-N 3.1Å; L305-V386 HydrophobicContact CD1-CG1 4.09Å; L305-V386 HydrophobicContact CD2-CG1 3.75Å; L305-V386 HydrophobicContact CG-CG1 4.01Å; L305-Y389 HydrophobicContact CD1-CD1 3.41Å; L305-Y389 VanDerWaalsContact CD1-CD1 3.41Å; L305-Y389 HydrophobicContact CD1-CE1 3.82Å; L305-Y389 HydrophobicContact CD1-CG 4.22Å; L305-L466 HydrophobicContact CB-CD1 4.03Å; L305-L466 HydrophobicContact CB-CD2 3.71Å; L305-L466 HydrophobicContact CD1-CD1 3.87Å; L305-L480 HydrophobicContact CD1-CD1 4.44Å; L305-L480 HydrophobicContact CD2-CD1 4.22Å
306R88.5Confident87.2Confident95 Ų9533.7 Ų33.736%0.35816%0.164SC..THydrogen-bonded Turntrans-75.8-4.8173.7-70.3-179.2-178.1179.6-1.4114.5R302 A303 I304 D308 D464 L466R302-R306 WeakPolarHBondContact O-CG 2.95Å; R302-R306 PolarHBondContact O-N 3.04Å; A303-R306 PolarHBondContact O-N 2.99Å; I304-R306 VanDerWaalsContact C-N 3.3Å; I304-R306 PolarHBondContact O-N 3.48Å; R306-D308 PolarHBondContact O-N 2.91Å; R306-D464 PolarHBondContact NE-O 2.86Å; R306-D464 PolarHBondContact NH2-O 3.35Å; R306-D464 IonicContact NH2-OD1 2.75Å; R306-D464 PolarHBondContact NH2-OD1 2.91Å; R306-L466 HydrophobicContact CG-CD2 4.35Å
307N87.5Confident87.7Confident55 Ų5532.6 Ų32.629%0.29416%0.157SC..THydrogen-bonded Turntrans59.123.1-168.3-64.7-90.2000114.1A303 I304 L305 W309 H473A303-N307 PolarHBondContact O-N 3.43Å; I304-N307 PolarHBondContact O-N 2.74Å; L305-N307 PolarHBondContact O-N 3.1Å; N307-W309 VanDerWaalsContact C-N 3.33Å; N307-W309 PolarHBondContact O-N 2.7Å; N307-W309 VanDerWaalsContact O-N 3.09Å; N307-H473 VanDerWaalsContact CG-NE2 3.26Å; N307-H473 PolarHBondContact ND2-NE2 3.11Å; N307-H473 PolarHBondContact OD1-CE1 2.93Å; N307-H473 PolarHBondContact OD1-NE2 3.45Å
308D89.4Confident87.5Confident62 Ų6236.3 Ų36.333%0.33217%0.171SC..  trans-86.177.3174.6-170.6-10.3000110.3A303 R306 N310 Q311 V312A303-D308 PolarHBondContact O-N 2.77Å; R306-D308 PolarHBondContact O-N 2.91Å; D308-N310 VanDerWaalsContact C-N 3.28Å; D308-N310 PolarHBondContact O-N 3.08Å; D308-N310 PolarHBondContact OD1-N 3.36Å; D308-Q311 HydrophobicContact CB-CB 4.08Å; D308-Q311 PolarHBondContact O-N 3.29Å; D308-Q311 WeakPolarHBondContact OD1-CB 3.5Å; D308-Q311 PolarHBondContact OD1-N 2.89Å; D308-Q311 VanDerWaalsContact OD2-CB 3.3Å; D308-Q311 WeakPolarHBondContact OD2-CB 2.99Å; D308-V312 WeakPolarHBondContact O-CG2 3.21Å; D308-V312 PolarHBondContact O-N 2.9Å
309W87.9Confident87.1Confident26 Ų2638 Ų3810%0.09818%0.184CC..Hα-helixtrans-67.6-26.8-175.6-65.7100.6000113.7I304 N307 V312 V313 I370 V371 F374 Y478I304-W309 HydrophobicContact CG2-CH2 4.26Å; N307-W309 VanDerWaalsContact C-N 3.33Å; N307-W309 PolarHBondContact O-N 2.7Å; N307-W309 VanDerWaalsContact O-N 3.09Å; W309-V312 HydrophobicContact CE3-CG2 4.46Å; W309-V312 PolarHBondContact O-N 3.15Å; W309-V313 WeakPolarHBondContact O-CG2 3.38Å; W309-V313 PolarHBondContact O-N 2.75Å; W309-V313 VanDerWaalsContact O-N 3.17Å; W309-I370 HydrophobicContact CB-CB 3.96Å; W309-I370 HydrophobicContact CB-CD1 4.31Å; W309-I370 HydrophobicContact CB-CG2 3.85Å; W309-I370 HydrophobicContact CE3-CG2 4.35Å; W309-V371 HydrophobicContact CD2-CG2 3.83Å; W309-V371 HydrophobicContact CG-CG2 3.93Å; W309-V371 HydrophobicContact CH2-CG1 4.34Å; W309-V371 HydrophobicContact CZ2-CG1 3.99Å; W309-V371 HydrophobicContact CZ2-CG2 4.18Å; W309-F374 HydrophobicContact CH2-CD1 4.43Å; W309-F374 HydrophobicContact CZ3-CB 4.16Å; W309-F374 AromaticContact CZ3-CD1 3.79Å; W309-F374 HydrophobicContact CZ3-CD1 3.79Å; W309-F374 HydrophobicContact CZ3-CE1 4.4Å; W309-F374 HydrophobicContact CZ3-CG 4.04Å; W309-Y478 HydrophobicContact CH2-CD2 4.19Å; W309-Y478 AromaticContact CH2-CE2 3.47Å; W309-Y478 HydrophobicContact CH2-CE2 3.47Å; W309-Y478 VanDerWaalsContact CH2-CE2 3.47Å; W309-Y478 AromaticContact CH2-CZ 3.92Å; W309-Y478 HydrophobicContact CZ2-CD2 4.47Å; W309-Y478 HydrophobicContact CZ2-CE2 4.02Å
310N88.9Confident86.4Confident106 Ų10637.9 Ų37.957%0.56718%0.181SC*.Hα-helixtrans-67.2-46.6174.5-68.2-38000109.8D308 V312 V313 D314 I370D308-N310 VanDerWaalsContact C-N 3.28Å; D308-N310 PolarHBondContact O-N 3.08Å; D308-N310 PolarHBondContact OD1-N 3.36Å; N310-V312 VanDerWaalsContact C-N 3.29Å; N310-V312 PolarHBondContact O-N 3.44Å; N310-V313 PolarHBondContact O-N 2.84Å; N310-D314 WeakPolarHBondContact O-CB 3.09Å; N310-D314 PolarHBondContact O-N 3.29Å; N310-I370 WeakPolarHBondContact OD1-CD1 3.09Å
311Q88.4Confident84.8Confident63 Ų6342.4 Ų42.429%0.29421%0.21SC..Hα-helixtrans-62-36.3174.5-175.817581.700112A303 D308 V313 D314 L315A303-Q311 HydrophobicContact CB-CB 4.21Å; A303-Q311 HydrophobicContact CB-CG 4Å; D308-Q311 HydrophobicContact CB-CB 4.08Å; D308-Q311 PolarHBondContact O-N 3.29Å; D308-Q311 WeakPolarHBondContact OD1-CB 3.5Å; D308-Q311 PolarHBondContact OD1-N 2.89Å; D308-Q311 VanDerWaalsContact OD2-CB 3.3Å; D308-Q311 WeakPolarHBondContact OD2-CB 2.99Å; Q311-V313 PolarHBondContact O-N 3.48Å; Q311-D314 PolarHBondContact O-N 3.33Å; Q311-L315 HydrophobicContact CG-CD1 3.77Å; Q311-L315 HydrophobicContact CG-CG 4.02Å; Q311-L315 VanDerWaalsContact O-CB 3.23Å; Q311-L315 WeakPolarHBondContact O-CB 3.42Å; Q311-L315 WeakPolarHBondContact O-CG 3.36Å; Q311-L315 PolarHBondContact O-N 3.27Å
312V88.9Confident83.3Confident0 Ų044.1 Ų44.10%023%0.227CC..Hα-helixtrans-59.1-48.1174.9171.80000111.8V300 A303 I304 D308 W309 N310 L315 I316 F374V300-V312 HydrophobicContact CG1-CG1 4.21Å; A303-V312 HydrophobicContact CB-CG2 3.63Å; I304-V312 HydrophobicContact CB-CG2 4.45Å; I304-V312 HydrophobicContact CG1-CG1 4.28Å; I304-V312 HydrophobicContact CG1-CG2 3.61Å; D308-V312 WeakPolarHBondContact O-CG2 3.21Å; D308-V312 PolarHBondContact O-N 2.9Å; W309-V312 HydrophobicContact CE3-CG2 4.46Å; W309-V312 PolarHBondContact O-N 3.15Å; N310-V312 VanDerWaalsContact C-N 3.29Å; N310-V312 PolarHBondContact O-N 3.44Å; V312-L315 PolarHBondContact O-N 2.62Å; V312-I316 HydrophobicContact CG1-CD1 4.01Å; V312-I316 WeakPolarHBondContact O-CG1 3.3Å; V312-I316 PolarHBondContact O-N 2.98Å; V312-F374 HydrophobicContact CG1-CD2 4.04Å; V312-F374 HydrophobicContact CG1-CE2 3.9Å; V312-F374 HydrophobicContact CG1-CZ 4.5Å
313V86.9Confident81.5Confident9 Ų944.9 Ų44.96%0.05525%0.248CC..Hα-helixtrans-64.2-44.5179.41740000110.5W309 N310 Q311 L315 I316 L317 W335 L362 I370W309-V313 WeakPolarHBondContact O-CG2 3.38Å; W309-V313 PolarHBondContact O-N 2.75Å; W309-V313 VanDerWaalsContact O-N 3.17Å; N310-V313 PolarHBondContact O-N 2.84Å; Q311-V313 PolarHBondContact O-N 3.48Å; V313-L315 VanDerWaalsContact C-N 3.31Å; V313-L315 PolarHBondContact O-N 2.82Å; V313-I316 PolarHBondContact O-N 3.45Å; V313-I316 VanDerWaalsContact O-N 3.12Å; V313-L317 HydrophobicContact CG1-CD1 3.8Å; V313-L317 HydrophobicContact CG1-CG 4.48Å; V313-L317 WeakPolarHBondContact O-CB 3.5Å; V313-L317 PolarHBondContact O-N 3.33Å; V313-W335 HydrophobicContact CG1-CZ2 4.11Å; V313-L362 HydrophobicContact CG1-CD1 4.04Å; V313-I370 HydrophobicContact CG2-CB 4.5Å; V313-I370 HydrophobicContact CG2-CD1 4.18Å; V313-I370 HydrophobicContact CG2-CG1 4.39Å; V313-I370 HydrophobicContact CG2-CG2 3.34Å
314D86.7Confident80.1Confident52 Ų5246 Ų4628%0.27825%0.254SS..Hα-helixtrans-61-40.8176.4-79.2-12.4000112.1N310 Q311 I316 K318N310-D314 WeakPolarHBondContact O-CB 3.09Å; N310-D314 PolarHBondContact O-N 3.29Å; Q311-D314 PolarHBondContact O-N 3.33Å; D314-I316 PolarHBondContact O-N 2.85Å; D314-K318 HydrophobicContact CB-CD 3.8Å; D314-K318 HydrophobicContact CB-CG 4.16Å; D314-K318 WeakPolarHBondContact O-CB 3.45Å; D314-K318 VanDerWaalsContact O-CG 3.3Å; D314-K318 WeakPolarHBondContact O-CG 3.29Å; D314-K318 PolarHBondContact O-N 3.05Å; D314-K318 WeakPolarHBondContact OD1-CE 3.33Å; D314-K318 IonicContact OD1-NZ 3.35Å; D314-K318 WeakPolarHBondContact OD2-CE 3.32Å; D314-K318 IonicContact OD2-NZ 3.63Å; D314-K318 PolarHBondContact OD2-NZ 3.41Å
315L85.9Confident79.1Confident25 Ų2552.2 Ų52.213%0.13128%0.281CS..Hα-helixtrans-70.3-15.3178.2-74.2173.8000113.2V295 Q299 V300 A303 Q311 V312 V313 R320V295-L315 WeakPolarHBondContact CG1-O 3.37Å; Q299-L315 HydrophobicContact CB-CD1 4.03Å; Q299-L315 HydrophobicContact CB-CD2 4.46Å; Q299-L315 WeakPolarHBondContact O-CD1 3.29Å; V300-L315 HydrophobicContact CG2-CB 3.79Å; V300-L315 HydrophobicContact CG2-CD1 4.35Å; A303-L315 HydrophobicContact CB-CD1 4.05Å; Q311-L315 HydrophobicContact CG-CD1 3.77Å; Q311-L315 HydrophobicContact CG-CG 4.02Å; Q311-L315 VanDerWaalsContact O-CB 3.23Å; Q311-L315 WeakPolarHBondContact O-CB 3.42Å; Q311-L315 WeakPolarHBondContact O-CG 3.36Å; Q311-L315 PolarHBondContact O-N 3.27Å; V312-L315 PolarHBondContact O-N 2.62Å; V313-L315 VanDerWaalsContact C-N 3.31Å; V313-L315 PolarHBondContact O-N 2.82Å; L315-R320 PolarHBondContact O-NH1 3.39Å; L315-R320 VanDerWaalsContact O-NH1 3.15Å; L315-R320 PolarHBondContact O-NH2 3.23Å
316I85.1Confident78.6Confident3 Ų357.7 Ų57.72%0.01531%0.306CS..Hα-helixtrans-100.4-36.6176.9-65168.8000111.3V300 V312 V313 D314 R332 E355 L358 F374V300-I316 HydrophobicContact CG1-CD1 4.24Å; V300-I316 HydrophobicContact CG1-CG1 4.4Å; V300-I316 HydrophobicContact CG2-CG1 4.37Å; V312-I316 HydrophobicContact CG1-CD1 4.01Å; V312-I316 WeakPolarHBondContact O-CG1 3.3Å; V312-I316 PolarHBondContact O-N 2.98Å; V313-I316 PolarHBondContact O-N 3.45Å; V313-I316 VanDerWaalsContact O-N 3.12Å; D314-I316 PolarHBondContact O-N 2.85Å; I316-R332 PolarHBondContact O-NE 2.85Å; I316-R332 VanDerWaalsContact O-NE 3.15Å; I316-E355 HydrophobicContact CG2-CG 4.16Å; I316-L358 HydrophobicContact CB-CD2 3.92Å; I316-L358 HydrophobicContact CD1-CD2 3.97Å; I316-L358 HydrophobicContact CG2-CD2 3.74Å; I316-F374 HydrophobicContact CD1-CD2 4.4Å; I316-F374 HydrophobicContact CD1-CE2 3.75Å
317L83.4Confident78.1Confident1 Ų156.7 Ų56.71%0.00530%0.302CS..Hα-helixtrans-110.1-11.4-167.9-59.2178.8000115.2V313 R332 W335 E355 L358 L359 L362V313-L317 HydrophobicContact CG1-CD1 3.8Å; V313-L317 HydrophobicContact CG1-CG 4.48Å; V313-L317 WeakPolarHBondContact O-CB 3.5Å; V313-L317 PolarHBondContact O-N 3.33Å; L317-R332 VanDerWaalsContact O-CB 3.31Å; L317-R332 WeakPolarHBondContact O-CB 3.45Å; L317-R332 VanDerWaalsContact O-CG 3.29Å; L317-R332 WeakPolarHBondContact O-CG 3.39Å; L317-W335 VanDerWaalsContact CB-CD1 3.43Å; L317-W335 HydrophobicContact CB-CD2 4.49Å; L317-W335 HydrophobicContact CB-CG 4.03Å; L317-W335 HydrophobicContact CD1-CD2 3.97Å; L317-W335 HydrophobicContact CD1-CG 4.32Å; L317-W335 HydrophobicContact CD1-CZ2 3.96Å; L317-E355 HydrophobicContact CD2-CB 4.07Å; L317-E355 HydrophobicContact CD2-CG 4.22Å; L317-L358 HydrophobicContact CD1-CD2 4.01Å; L317-L358 HydrophobicContact CD1-CG 4.43Å; L317-L358 HydrophobicContact CD2-CD2 4.34Å; L317-L358 HydrophobicContact CG-CD2 3.98Å; L317-L359 HydrophobicContact CD1-CD2 3.75Å; L317-L359 HydrophobicContact CD1-CG 4.34Å; L317-L359 HydrophobicContact CD2-CD2 4.27Å; L317-L359 HydrophobicContact CD2-CG 4.17Å; L317-L362 HydrophobicContact CD1-CD1 3.94Å
318K81.1Confident77.7Confident99 Ų9954.8 Ų54.843%0.4329%0.292SS..SBendtrans-69.7136.9177.7-78-179175.5162.70111.9D314 R332D314-K318 HydrophobicContact CB-CD 3.8Å; D314-K318 HydrophobicContact CB-CG 4.16Å; D314-K318 WeakPolarHBondContact O-CB 3.45Å; D314-K318 VanDerWaalsContact O-CG 3.3Å; D314-K318 WeakPolarHBondContact O-CG 3.29Å; D314-K318 PolarHBondContact O-N 3.05Å; D314-K318 WeakPolarHBondContact OD1-CE 3.33Å; D314-K318 IonicContact OD1-NZ 3.35Å; D314-K318 WeakPolarHBondContact OD2-CE 3.32Å; D314-K318 IonicContact OD2-NZ 3.63Å; D314-K318 PolarHBondContact OD2-NZ 3.41Å; K318-R332 WeakPolarHBondContact O-CD 3.37Å
319P76.6Confident77.4Confident59 Ų5954.1 Ų54.138%0.38329%0.29SS..  trans-55.9142.6171-21.730.5000111.2R332 A336P319-R332 HydrophobicContact CG-CB 4.23Å; P319-R332 WeakPolarHBondContact CG-O 3.42Å; P319-A336 HydrophobicContact CG-CB 3.65Å
320R70.8Confident77.2Confident58 Ų5859.4 Ų59.422%0.21931%0.31CS..  trans-141.4149.3177.2-68-176-171.112921.3111.5A294 L315 G322A294-R320 WeakPolarHBondContact O-CD 3.48Å; A294-R320 PolarHBondContact O-NH1 2.68Å; L315-R320 PolarHBondContact O-NH1 3.39Å; L315-R320 VanDerWaalsContact O-NH1 3.15Å; L315-R320 PolarHBondContact O-NH2 3.23Å; R320-G322 PolarHBondContact O-N 2.81Å
321P56.8Low77Confident96 Ų9654.4 Ų54.462%0.62328%0.283SS*.SBendtrans-70.2120.9165.529.4-30.9000109.3
322G58.4Low76.8Confident35 Ų3551.5 Ų51.536%0.36127%0.27SS..SBendtrans170.7168.8177.500000113.8R320 E324R320-G322 PolarHBondContact O-N 2.81Å; G322-E324 PolarHBondContact O-N 2.87Å
323A51.6Low76.8Confident84 Ų8455.8 Ų55.869%0.69429%0.29SS*.SBendtrans-74.267.3176.700000111.3
324E60.8Low76.8Confident24 Ų2457.6 Ų57.611%0.11230%0.298CS..  trans-93.4151.7173.9-60.2-160.4152.200111.1A294 G322 E326 V329 R332A294-E324 HydrophobicContact CB-CG 4.02Å; G322-E324 PolarHBondContact O-N 2.87Å; E324-E326 PolarHBondContact O-N 3.34Å; E324-V329 HydrophobicContact CB-CG2 3.81Å; E324-R332 IonicContact OE1-CZ 3.49Å; E324-R332 VanDerWaalsContact OE1-CZ 3.28Å; E324-R332 IonicContact OE1-NH1 3.75Å; E324-R332 PolarHBondContact OE1-NH1 3.35Å; E324-R332 IonicContact OE1-NH2 3.64Å; E324-R332 PolarHBondContact OE1-NH2 3.44Å; E324-R332 IonicContact OE2-CZ 2.63Å; E324-R332 VanDerWaalsContact OE2-CZ 3.27Å; E324-R332 IonicContact OE2-NE 3.34Å; E324-R332 IonicContact OE2-NH1 3.36Å; E324-R332 PolarHBondContact OE2-NH1 3.44Å; E324-R332 IonicContact OE2-NH2 3.64Å
325K69.9Low76.8Confident130 Ų13055.4 Ų55.457%0.56529%0.286SS*.  trans-62.4135173.2-63.9174.7178.7-179.40108.3Y327 L328 V329K325-Y327 HydrophobicContact CB-CD1 3.86Å; K325-Y327 HydrophobicContact CB-CE1 3.5Å; K325-Y327 VanDerWaalsContact CB-CE1 3.5Å; K325-Y327 HydrophobicContact CB-CE2 4.44Å; K325-Y327 HydrophobicContact CB-CG 4.49Å; K325-Y327 HydrophobicContact CD-CE1 3.48Å; K325-Y327 VanDerWaalsContact CD-CE1 3.48Å; K325-Y327 VanDerWaalsContact CD-CZ 3.42Å; K325-Y327 WeakPolarHBondContact CD-OH 3.24Å; K325-Y327 HydrophobicContact CG-CE1 4.09Å; K325-Y327 PolarHBondContact NZ-OH 3.06Å; K325-Y327 PolarHBondContact O-N 2.86Å; K325-L328 HydrophobicContact CB-CD1 4.48Å; K325-L328 WeakPolarHBondContact O-CA 3.08Å; K325-L328 WeakPolarHBondContact O-CB 3.26Å; K325-L328 PolarHBondContact O-N 2.87Å; K325-V329 PolarHBondContact O-N 3.46Å
326E76.5Confident76.9Confident129 Ų12956.7 Ų56.760%0.60330%0.3SS*.Hα-helixtrans-50.6-38.1-172.9-171.6-178.1-174.700113.7E324 L328 V329 R330E324-E326 PolarHBondContact O-N 3.34Å; E326-L328 VanDerWaalsContact C-N 3.31Å; E326-L328 PolarHBondContact O-N 3.02Å; E326-V329 PolarHBondContact O-N 3.07Å; E326-R330 WeakPolarHBondContact O-CG 3.39Å; E326-R330 PolarHBondContact O-N 3.19Å; E326-R330 VanDerWaalsContact O-N 3.08Å; E326-R330 IonicContact OE1-CZ 3.32Å; E326-R330 IonicContact OE1-NE 3.6Å; E326-R330 PolarHBondContact OE1-NE 3.2Å; E326-R330 IonicContact OE1-NH2 2.84Å; E326-R330 PolarHBondContact OE1-NH2 2.91Å
327Y78.8Confident77.1Confident74 Ų7464.5 Ų64.529%0.2933%0.334SS..Hα-helixtrans-66-29177.565.6-103.3000114K325 C331 L348 P349K325-Y327 HydrophobicContact CB-CD1 3.86Å; K325-Y327 HydrophobicContact CB-CE1 3.5Å; K325-Y327 VanDerWaalsContact CB-CE1 3.5Å; K325-Y327 HydrophobicContact CB-CE2 4.44Å; K325-Y327 HydrophobicContact CB-CG 4.49Å; K325-Y327 HydrophobicContact CD-CE1 3.48Å; K325-Y327 VanDerWaalsContact CD-CE1 3.48Å; K325-Y327 VanDerWaalsContact CD-CZ 3.42Å; K325-Y327 WeakPolarHBondContact CD-OH 3.24Å; K325-Y327 HydrophobicContact CG-CE1 4.09Å; K325-Y327 PolarHBondContact NZ-OH 3.06Å; K325-Y327 PolarHBondContact O-N 2.86Å; Y327-C331 WeakPolarHBondContact O-CB 3.47Å; Y327-C331 PolarHBondContact O-N 3.4Å; Y327-C331 VanDerWaalsContact O-N 3.15Å; Y327-L348 HydrophobicContact CD2-CD2 3.95Å; Y327-L348 HydrophobicContact CE2-CD2 4.49Å; Y327-P349 HydrophobicContact CD1-CG 4.08Å; Y327-P349 HydrophobicContact CD2-CG 4.17Å; Y327-P349 HydrophobicContact CG-CG 3.84Å
328L79.5Confident77.2Confident16 Ų1667.4 Ų67.48%0.08435%0.351CS..Hα-helixtrans-73.1-42.4174.9-68.9177.7000110.5K325 E326 R330 C331 R332 L348 E355K325-L328 HydrophobicContact CB-CD1 4.48Å; K325-L328 WeakPolarHBondContact O-CA 3.08Å; K325-L328 WeakPolarHBondContact O-CB 3.26Å; K325-L328 PolarHBondContact O-N 2.87Å; E326-L328 VanDerWaalsContact C-N 3.31Å; E326-L328 PolarHBondContact O-N 3.02Å; L328-R330 PolarHBondContact O-N 3.18Å; L328-C331 WeakPolarHBondContact O-CB 3.4Å; L328-C331 PolarHBondContact O-N 3.11Å; L328-R332 WeakPolarHBondContact O-CG 3.45Å; L328-R332 PolarHBondContact O-N 3.42Å; L328-L348 HydrophobicContact CD2-CD2 4.09Å; L328-E355 HydrophobicContact CD2-CG 4.21Å
329V83.3Confident77.4Confident47 Ų4766.4 Ų66.429%0.28535%0.348SS..Hα-helixtrans-57-53.1176.5-179.60000109.9E324 K325 E326 C331 R332 E333E324-V329 HydrophobicContact CB-CG2 3.81Å; K325-V329 PolarHBondContact O-N 3.46Å; E326-V329 PolarHBondContact O-N 3.07Å; V329-C331 VanDerWaalsContact C-N 3.3Å; V329-C331 PolarHBondContact O-N 3.04Å; V329-R332 PolarHBondContact O-N 3.44Å; V329-R332 VanDerWaalsContact O-N 3.13Å; V329-E333 HydrophobicContact CG1-CG 4.35Å; V329-E333 WeakPolarHBondContact CG1-OE1 3.25Å; V329-E333 WeakPolarHBondContact O-CG 3.32Å; V329-E333 PolarHBondContact O-N 3.13Å
330R83.7Confident77.9Confident137 Ų13766.6 Ų66.652%0.51735%0.346SS..Hα-helixtrans-57.8-40.9177.4-66.8177-175.3-171.5-0.1112.6E326 L328 E334E326-R330 WeakPolarHBondContact O-CG 3.39Å; E326-R330 PolarHBondContact O-N 3.19Å; E326-R330 VanDerWaalsContact O-N 3.08Å; E326-R330 IonicContact OE1-CZ 3.32Å; E326-R330 IonicContact OE1-NE 3.6Å; E326-R330 PolarHBondContact OE1-NE 3.2Å; E326-R330 IonicContact OE1-NH2 2.84Å; E326-R330 PolarHBondContact OE1-NH2 2.91Å; L328-R330 PolarHBondContact O-N 3.18Å; R330-E334 WeakPolarHBondContact O-CB 3.35Å; R330-E334 PolarHBondContact O-N 3.19Å
331C84.6Confident78.6Confident1 Ų164.7 Ų64.71%0.00734%0.341CS..Hα-helixtrans-63.9-42.2177.5-179.40000112.2Y327 L328 V329 W335 K347 L348Y327-C331 WeakPolarHBondContact O-CB 3.47Å; Y327-C331 PolarHBondContact O-N 3.4Å; Y327-C331 VanDerWaalsContact O-N 3.15Å; L328-C331 WeakPolarHBondContact O-CB 3.4Å; L328-C331 PolarHBondContact O-N 3.11Å; V329-C331 VanDerWaalsContact C-N 3.3Å; V329-C331 PolarHBondContact O-N 3.04Å; C331-W335 PolarHBondContact O-N 3.19Å; C331-K347 HydrophobicContact CB-CB 4.49Å; C331-L348 HydrophobicContact CB-CD2 3.73Å; C331-L348 HydrophobicContact CB-CG 4Å
332R84.6Confident80.1Confident2 Ų265.3 Ų65.31%0.00834%0.336CS..Hα-helixtrans-74.5-37.7-178.5-69.1-174.7-176.117214.3112.2V295 I316 L317 K318 P319 E324 L328 V329 E334 W335 A336 E355V295-R332 VanDerWaalsContact CG2-NH2 3.29Å; I316-R332 PolarHBondContact O-NE 2.85Å; I316-R332 VanDerWaalsContact O-NE 3.15Å; L317-R332 VanDerWaalsContact O-CB 3.31Å; L317-R332 WeakPolarHBondContact O-CB 3.45Å; L317-R332 VanDerWaalsContact O-CG 3.29Å; L317-R332 WeakPolarHBondContact O-CG 3.39Å; K318-R332 WeakPolarHBondContact O-CD 3.37Å; P319-R332 HydrophobicContact CG-CB 4.23Å; P319-R332 WeakPolarHBondContact CG-O 3.42Å; E324-R332 IonicContact OE1-CZ 3.49Å; E324-R332 VanDerWaalsContact OE1-CZ 3.28Å; E324-R332 IonicContact OE1-NH1 3.75Å; E324-R332 PolarHBondContact OE1-NH1 3.35Å; E324-R332 IonicContact OE1-NH2 3.64Å; E324-R332 PolarHBondContact OE1-NH2 3.44Å; E324-R332 IonicContact OE2-CZ 2.63Å; E324-R332 VanDerWaalsContact OE2-CZ 3.27Å; E324-R332 IonicContact OE2-NE 3.34Å; E324-R332 IonicContact OE2-NH1 3.36Å; E324-R332 PolarHBondContact OE2-NH1 3.44Å; E324-R332 IonicContact OE2-NH2 3.64Å; L328-R332 WeakPolarHBondContact O-CG 3.45Å; L328-R332 PolarHBondContact O-N 3.42Å; V329-R332 PolarHBondContact O-N 3.44Å; V329-R332 VanDerWaalsContact O-N 3.13Å; R332-E334 VanDerWaalsContact C-N 3.34Å; R332-W335 PolarHBondContact O-N 3.37Å; R332-A336 WeakPolarHBondContact O-CB 3.25Å; R332-A336 PolarHBondContact O-N 3.17Å; R332-E355 IonicContact NH2-OE1 3.93Å; R332-E355 PolarHBondContact NH2-OE1 3.05Å
333E87.3Confident81.6Confident91 Ų9164.6 Ų64.643%0.42533%0.326SS..Hα-helixtrans-61.1-43.3172.3-73.5177174.900111.5V329 A336 K337V329-E333 HydrophobicContact CG1-CG 4.35Å; V329-E333 WeakPolarHBondContact CG1-OE1 3.25Å; V329-E333 WeakPolarHBondContact O-CG 3.32Å; V329-E333 PolarHBondContact O-N 3.13Å; E333-A336 PolarHBondContact O-N 3.01Å; E333-K337 WeakPolarHBondContact O-CG 3.37Å; E333-K337 PolarHBondContact O-N 3.21Å; E333-K337 VanDerWaalsContact O-N 3.1Å
334E87.4Confident83.3Confident46 Ų4660.6 Ų60.622%0.21529%0.293CS..Hα-helixtrans-62.2-45.1175.5-167.969.9-139.500111.3R330 R332 A336 K337 T338 A343 K347R330-E334 WeakPolarHBondContact O-CB 3.35Å; R330-E334 PolarHBondContact O-N 3.19Å; R332-E334 VanDerWaalsContact C-N 3.34Å; E334-A336 VanDerWaalsContact C-N 3.34Å; E334-A336 PolarHBondContact O-N 3.1Å; E334-K337 PolarHBondContact O-N 2.9Å; E334-T338 PolarHBondContact O-N 2.73Å; E334-T338 PolarHBondContact O-OG1 3.35Å; E334-T338 VanDerWaalsContact OE1-CG2 3.24Å; E334-T338 WeakPolarHBondContact OE1-CG2 3.26Å; E334-A343 HydrophobicContact CG-CB 4.19Å; E334-K347 HydrophobicContact CB-CG 4.27Å; E334-K347 HydrophobicContact CG-CG 4.25Å; E334-K347 WeakPolarHBondContact OE2-CE 3.5Å; E334-K347 IonicContact OE2-NZ 3.73Å
335W87.2Confident84.6Confident6 Ų660.3 Ų60.32%0.02329%0.292CS..Hα-helixtrans-60.6-41.7175.3173.7-104.7000112.5V313 L317 C331 R332 K337 Q339 P341 A344 L359 L362V313-W335 HydrophobicContact CG1-CZ2 4.11Å; L317-W335 VanDerWaalsContact CB-CD1 3.43Å; L317-W335 HydrophobicContact CB-CD2 4.49Å; L317-W335 HydrophobicContact CB-CG 4.03Å; L317-W335 HydrophobicContact CD1-CD2 3.97Å; L317-W335 HydrophobicContact CD1-CG 4.32Å; L317-W335 HydrophobicContact CD1-CZ2 3.96Å; C331-W335 PolarHBondContact O-N 3.19Å; R332-W335 PolarHBondContact O-N 3.37Å; W335-K337 VanDerWaalsContact C-N 3.3Å; W335-K337 PolarHBondContact O-N 3.34Å; W335-Q339 VanDerWaalsContact O-CA 3.26Å; W335-Q339 WeakPolarHBondContact O-CA 3.41Å; W335-Q339 PolarHBondContact O-N 3.03Å; W335-Q339 PolarHBondContact O-NE2 3.08Å; W335-P341 HydrophobicContact CZ3-CB 4.42Å; W335-P341 HydrophobicContact CZ3-CG 3.92Å; W335-A344 HydrophobicContact CB-CB 4.27Å; W335-L359 HydrophobicContact CD2-CD2 4.21Å; W335-L359 HydrophobicContact CE3-CD2 3.65Å; W335-L359 HydrophobicContact CZ3-CD2 3.94Å; W335-L362 HydrophobicContact CH2-CD1 3.85Å; W335-L362 HydrophobicContact CZ2-CD1 4.24Å; W335-L362 HydrophobicContact CZ3-CD1 4.49Å
336A87.6Confident85.5Confident52 Ų5262.1 Ų62.143%0.4330%0.3SS..Hα-helixtrans-64.2-34.9178.300000112.5P319 R332 E333 E334P319-A336 HydrophobicContact CG-CB 3.65Å; R332-A336 WeakPolarHBondContact O-CB 3.25Å; R332-A336 PolarHBondContact O-N 3.17Å; E333-A336 PolarHBondContact O-N 3.01Å; E334-A336 VanDerWaalsContact C-N 3.34Å; E334-A336 PolarHBondContact O-N 3.1Å
337K88.6Confident85.9Confident168 Ų16861 Ų6173%0.7329%0.293SS*.Hα-helixtrans-79.6-51.4179.5-70.3175.4-175.6177.50113.1E333 E334 W335E333-K337 WeakPolarHBondContact O-CG 3.37Å; E333-K337 PolarHBondContact O-N 3.21Å; E333-K337 VanDerWaalsContact O-N 3.1Å; E334-K337 PolarHBondContact O-N 2.9Å; W335-K337 VanDerWaalsContact C-N 3.3Å; W335-K337 PolarHBondContact O-N 3.34Å
338T86.4Confident86.2Confident61 Ų6157.8 Ų57.837%0.37428%0.281SS..Hα-helixtrans-96.2-24.8-168.160.80000112.8E334 D340E334-T338 PolarHBondContact O-N 2.73Å; E334-T338 PolarHBondContact O-OG1 3.35Å; E334-T338 VanDerWaalsContact OE1-CG2 3.24Å; E334-T338 WeakPolarHBondContact OE1-CG2 3.26Å; T338-D340 PolarHBondContact O-N 2.86Å; T338-D340 PolarHBondContact OG1-N 3.39Å
339Q84.8Confident86.2Confident78 Ų7861.9 Ų61.936%0.36431%0.309SS..  trans53.920.4-173.8-82-63.6-60.600113.2W335 K367W335-Q339 VanDerWaalsContact O-CA 3.26Å; W335-Q339 WeakPolarHBondContact O-CA 3.41Å; W335-Q339 PolarHBondContact O-N 3.03Å; W335-Q339 PolarHBondContact O-NE2 3.08Å; Q339-K367 WeakPolarHBondContact O-CE 3.36Å; Q339-K367 PolarHBondContact O-NZ 3.35Å
340D87.6Confident85.9Confident64 Ų6464.1 Ų64.134%0.34232%0.319SS..  trans-104.8119.5-178.4172.723.6000110.3T338 E342 A343 A344T338-D340 PolarHBondContact O-N 2.86Å; T338-D340 PolarHBondContact OG1-N 3.39Å; D340-E342 VanDerWaalsContact C-N 3.32Å; D340-E342 PolarHBondContact O-N 2.76Å; D340-E342 PolarHBondContact OD1-N 2.94Å; D340-A343 HydrophobicContact CB-CB 4.1Å; D340-A343 VanDerWaalsContact OD2-CB 3.27Å; D340-A343 WeakPolarHBondContact OD2-CB 3.26Å; D340-A343 PolarHBondContact OD2-N 2.75Å; D340-A343 VanDerWaalsContact OD2-N 3.11Å; D340-A344 PolarHBondContact O-N 3.02Å
341P86.5Confident85.5Confident17 Ų1762.3 Ų62.311%0.1132%0.315CS..Hα-helixtrans-62.2-34.6178.5-2030.6000114.3W335 L345 L359 L362W335-P341 HydrophobicContact CZ3-CB 4.42Å; W335-P341 HydrophobicContact CZ3-CG 3.92Å; P341-L345 WeakPolarHBondContact O-CB 3.29Å; P341-L345 VanDerWaalsContact O-CG 3.22Å; P341-L345 WeakPolarHBondContact O-CG 3.43Å; P341-L345 PolarHBondContact O-N 3.08Å; P341-L359 HydrophobicContact CB-CB 4.47Å; P341-L359 HydrophobicContact CB-CD2 4.4Å; P341-L359 VanDerWaalsContact CB-O 3.32Å; P341-L359 WeakPolarHBondContact CB-O 3.27Å; P341-L362 HydrophobicContact CB-CB 4.3Å; P341-L362 HydrophobicContact CG-CB 3.88Å
342E88.3Confident84.9Confident110 Ų11072 Ų7251%0.51435%0.351SS..Hα-helixtrans-73.9-43.1-175.5-69.5-165.9178.300112.2D340 A344 L345 K346D340-E342 VanDerWaalsContact C-N 3.32Å; D340-E342 PolarHBondContact O-N 2.76Å; D340-E342 PolarHBondContact OD1-N 2.94Å; E342-A344 VanDerWaalsContact C-N 3.34Å; E342-A344 PolarHBondContact O-N 2.87Å; E342-L345 PolarHBondContact O-N 2.99Å; E342-K346 WeakPolarHBondContact O-CG 3.03Å; E342-K346 PolarHBondContact O-N 2.58Å
343A88.6Confident84.7Confident19 Ų1973.1 Ų73.116%0.15736%0.36CS..Hα-helixtrans-56.4-47.3172.900000111.7E334 D340 L345 K346E334-A343 HydrophobicContact CG-CB 4.19Å; D340-A343 HydrophobicContact CB-CB 4.1Å; D340-A343 VanDerWaalsContact OD2-CB 3.27Å; D340-A343 WeakPolarHBondContact OD2-CB 3.26Å; D340-A343 PolarHBondContact OD2-N 2.75Å; D340-A343 VanDerWaalsContact OD2-N 3.11Å; A343-L345 PolarHBondContact O-N 2.66Å; A343-K346 PolarHBondContact O-N 2.91Å
344A87.1Confident84.5Confident0 Ų070 Ų700%035%0.347CS..Hα-helixtrans-64.8-40.3178.200000112.4W335 D340 E342 K346 K347 L359W335-A344 HydrophobicContact CB-CB 4.27Å; D340-A344 PolarHBondContact O-N 3.02Å; E342-A344 VanDerWaalsContact C-N 3.34Å; E342-A344 PolarHBondContact O-N 2.87Å; A344-K346 VanDerWaalsContact C-N 3.27Å; A344-K346 PolarHBondContact O-N 3.26Å; A344-K347 WeakPolarHBondContact O-CB 3.49Å; A344-K347 PolarHBondContact O-N 2.94Å; A344-K347 VanDerWaalsContact O-N 3.1Å; A344-L359 HydrophobicContact CB-CD1 3.77Å; A344-L359 HydrophobicContact CB-CD2 4Å
345L87.8Confident84.4Confident18 Ų1869 Ų699%0.09434%0.342CS..Hα-helixtrans-62.2-30.2177.8-82.2169.9000114P341 E342 A343 K347 L348 G356 L359 R360P341-L345 WeakPolarHBondContact O-CB 3.29Å; P341-L345 VanDerWaalsContact O-CG 3.22Å; P341-L345 WeakPolarHBondContact O-CG 3.43Å; P341-L345 PolarHBondContact O-N 3.08Å; E342-L345 PolarHBondContact O-N 2.99Å; A343-L345 PolarHBondContact O-N 2.66Å; L345-K347 PolarHBondContact O-N 2.83Å; L345-L348 HydrophobicContact CD2-CD1 4.46Å; L345-L348 PolarHBondContact O-N 3.41Å; L345-G356 WeakPolarHBondContact CD2-O 3.37Å; L345-L359 HydrophobicContact CD1-CB 4.12Å; L345-L359 HydrophobicContact CD2-CB 3.77Å; L345-L359 HydrophobicContact CD2-CD1 4.29Å; L345-L359 HydrophobicContact CG-CB 3.65Å; L345-L359 HydrophobicContact CG-CD1 4.28Å; L345-R360 HydrophobicContact CD1-CG 3.8Å; L345-R360 HydrophobicContact CD2-CG 4.04Å
346K89Confident84.3Confident169 Ų16968.7 Ų68.774%0.73534%0.341SS*.Hα-helixtrans-66.6-24.6176.6-72.8173.1-175.7171.10112.4E342 A343 A344E342-K346 WeakPolarHBondContact O-CG 3.03Å; E342-K346 PolarHBondContact O-N 2.58Å; A343-K346 PolarHBondContact O-N 2.91Å; A344-K346 VanDerWaalsContact C-N 3.27Å; A344-K346 PolarHBondContact O-N 3.26Å
347K86Confident84.3Confident104 Ų10467.8 Ų67.845%0.45233%0.328SS..THydrogen-bonded Turntrans-82.1-13.2179.5-55.1-62.9-175.5173.20113.4C331 E334 A344 L345C331-K347 HydrophobicContact CB-CB 4.49Å; E334-K347 HydrophobicContact CB-CG 4.27Å; E334-K347 HydrophobicContact CG-CG 4.25Å; E334-K347 WeakPolarHBondContact OE2-CE 3.5Å; E334-K347 IonicContact OE2-NZ 3.73Å; A344-K347 WeakPolarHBondContact O-CB 3.49Å; A344-K347 PolarHBondContact O-N 2.94Å; A344-K347 VanDerWaalsContact O-N 3.1Å; L345-K347 PolarHBondContact O-N 2.83Å
348L83.9Confident84.3Confident7 Ų759.8 Ų59.84%0.03729%0.293CS..  trans-89.3120.2-178.6-71.8174.1000112Y327 L328 C331 L345 N350 E355 L359Y327-L348 HydrophobicContact CD2-CD2 3.95Å; Y327-L348 HydrophobicContact CE2-CD2 4.49Å; L328-L348 HydrophobicContact CD2-CD2 4.09Å; C331-L348 HydrophobicContact CB-CD2 3.73Å; C331-L348 HydrophobicContact CB-CG 4Å; L345-L348 HydrophobicContact CD2-CD1 4.46Å; L345-L348 PolarHBondContact O-N 3.41Å; L348-N350 VanDerWaalsContact C-N 3.32Å; L348-N350 PolarHBondContact O-N 2.85Å; L348-E355 HydrophobicContact CD1-CB 4.44Å; L348-L359 HydrophobicContact CD1-CD1 4.11Å
349P80.8Confident84.4Confident102 Ų10256.9 Ų56.966%0.66228%0.275SS*.SBendtrans-69-32.8178.327.2-34.1000112Y327Y327-P349 HydrophobicContact CD1-CG 4.08Å; Y327-P349 HydrophobicContact CD2-CG 4.17Å; Y327-P349 HydrophobicContact CG-CG 3.84Å
350N76.1Confident84.6Confident94 Ų9458.2 Ų58.250%0.50328%0.277SS..  trans-121.7111175.1-176.91.5000110.1L348 R352L348-N350 VanDerWaalsContact C-N 3.32Å; L348-N350 PolarHBondContact O-N 2.85Å; N350-R352 PolarHBondContact O-N 3.09Å; N350-R352 WeakPolarHBondContact OD1-CB 3.2Å; N350-R352 PolarHBondContact OD1-N 2.94Å
351K74.9Confident84.6Confident99 Ų9955.2 Ų55.243%0.4326%0.261SS..THydrogen-bonded Turntrans-77.80.4-178.6-57.1-179.6-179.3-178.40114R360K351-R360 VanDerWaalsContact CD-NH2 3.32Å
352R72.9Confident84.7Confident204 Ų20454.6 Ų54.677%0.7726%0.257SS*.THydrogen-bonded Turntrans-92.16.4177.6-63.9-173.6177.3-177.5-0.3114N350N350-R352 PolarHBondContact O-N 3.09Å; N350-R352 WeakPolarHBondContact OD1-CB 3.2Å; N350-R352 PolarHBondContact OD1-N 2.94Å
353C79.5Confident84.8Confident27 Ų2751.8 Ų51.818%0.18225%0.249CC..SBendtrans-74.6167.7170.265.40000111.5E355 G356 Q357C353-E355 VanDerWaalsContact C-N 3.31Å; C353-E355 PolarHBondContact O-N 3.41Å; C353-G356 PolarHBondContact O-N 3.04Å; C353-G356 PolarHBondContact SG-N 3.23Å; C353-Q357 WeakPolarHBondContact O-CG 3.26Å; C353-Q357 PolarHBondContact O-N 3.48Å
354V83.5Confident84.7Confident26 Ų2656.9 Ų56.916%0.15827%0.271CS..Hα-helixtrans-59.9-43.8179.9179.30000110.7G356 Q357 L358 I377V354-G356 PolarHBondContact O-N 3.28Å; V354-Q357 PolarHBondContact O-N 3.23Å; V354-L358 WeakPolarHBondContact O-CB 3.44Å; V354-L358 PolarHBondContact O-N 3.28Å; V354-I377 HydrophobicContact CG1-CD1 3.92Å
355E85.3Confident84.6Confident24 Ų2462 Ų6211%0.11229%0.291CS..Hα-helixtrans-61.6-43.8177.5-60.486.2166.700111.2I316 L317 L328 R332 L348 C353 L358 L359I316-E355 HydrophobicContact CG2-CG 4.16Å; L317-E355 HydrophobicContact CD2-CB 4.07Å; L317-E355 HydrophobicContact CD2-CG 4.22Å; L328-E355 HydrophobicContact CD2-CG 4.21Å; R332-E355 IonicContact NH2-OE1 3.93Å; R332-E355 PolarHBondContact NH2-OE1 3.05Å; L348-E355 HydrophobicContact CD1-CB 4.44Å; C353-E355 VanDerWaalsContact C-N 3.31Å; C353-E355 PolarHBondContact O-N 3.41Å; E355-L358 PolarHBondContact O-N 3.12Å; E355-L359 WeakPolarHBondContact O-CB 3.5Å; E355-L359 WeakPolarHBondContact O-CG 3.47Å; E355-L359 PolarHBondContact O-N 3.26Å
356G86.1Confident84.2Confident0 Ų062.5 Ų62.50%030%0.301CS..Hα-helixtrans-66.7-37.6178.300000113.1L345 C353 V354 R360L345-G356 WeakPolarHBondContact CD2-O 3.37Å; C353-G356 PolarHBondContact O-N 3.04Å; C353-G356 PolarHBondContact SG-N 3.23Å; V354-G356 PolarHBondContact O-N 3.28Å; G356-R360 WeakPolarHBondContact O-CB 3.17Å; G356-R360 VanDerWaalsContact O-CG 3.23Å; G356-R360 WeakPolarHBondContact O-CG 3.41Å; G356-R360 PolarHBondContact O-N 2.95Å
357Q87Confident83.7Confident33 Ų3359.3 Ų59.315%0.15429%0.287CS..Hα-helixtrans-68-42.6174.3-72.5170.8-18.900111.4C353 V354 R360 G361 I377C353-Q357 WeakPolarHBondContact O-CG 3.26Å; C353-Q357 PolarHBondContact O-N 3.48Å; V354-Q357 PolarHBondContact O-N 3.23Å; Q357-R360 PolarHBondContact O-N 3.4Å; Q357-G361 PolarHBondContact O-N 2.89Å; Q357-I377 HydrophobicContact CB-CG1 3.9Å
358L88.1Confident83.3Confident0 Ų064.8 Ų64.80%031%0.311CS..Hα-helixtrans-62.5-49.1176.6-177.657.9000111.5I316 L317 V354 E355 R360 G361 L362 F374 I377I316-L358 HydrophobicContact CB-CD2 3.92Å; I316-L358 HydrophobicContact CD1-CD2 3.97Å; I316-L358 HydrophobicContact CG2-CD2 3.74Å; L317-L358 HydrophobicContact CD1-CD2 4.01Å; L317-L358 HydrophobicContact CD1-CG 4.43Å; L317-L358 HydrophobicContact CD2-CD2 4.34Å; L317-L358 HydrophobicContact CG-CD2 3.98Å; V354-L358 WeakPolarHBondContact O-CB 3.44Å; V354-L358 PolarHBondContact O-N 3.28Å; E355-L358 PolarHBondContact O-N 3.12Å; L358-R360 VanDerWaalsContact C-N 3.31Å; L358-R360 PolarHBondContact O-N 3.15Å; L358-G361 CarbonylContact O-C 3.51Å; L358-G361 WeakPolarHBondContact O-CA 3.5Å; L358-G361 PolarHBondContact O-N 2.83Å; L358-G361 VanDerWaalsContact O-N 3.09Å; L358-L362 HydrophobicContact CD1-CD1 4.46Å; L358-L362 HydrophobicContact CD1-CG 4.42Å; L358-L362 HydrophobicContact CG-CD1 4.13Å; L358-L362 WeakPolarHBondContact O-CG 3.43Å; L358-L362 PolarHBondContact O-N 2.78Å; L358-F374 HydrophobicContact CD1-CB 4.4Å; L358-F374 HydrophobicContact CD1-CD2 4.09Å; L358-I377 HydrophobicContact CB-CD1 4.31Å
359L89.4Confident83.4Confident0 Ų067.6 Ų67.60%033%0.326CS..Hα-helixtrans-61.9-38.4178.2-69166.2000111.8L317 W335 P341 A344 L345 L348 E355 L362 S363L317-L359 HydrophobicContact CD1-CD2 3.75Å; L317-L359 HydrophobicContact CD1-CG 4.34Å; L317-L359 HydrophobicContact CD2-CD2 4.27Å; L317-L359 HydrophobicContact CD2-CG 4.17Å; W335-L359 HydrophobicContact CD2-CD2 4.21Å; W335-L359 HydrophobicContact CE3-CD2 3.65Å; W335-L359 HydrophobicContact CZ3-CD2 3.94Å; P341-L359 HydrophobicContact CB-CB 4.47Å; P341-L359 HydrophobicContact CB-CD2 4.4Å; P341-L359 VanDerWaalsContact CB-O 3.32Å; P341-L359 WeakPolarHBondContact CB-O 3.27Å; A344-L359 HydrophobicContact CB-CD1 3.77Å; A344-L359 HydrophobicContact CB-CD2 4Å; L345-L359 HydrophobicContact CD1-CB 4.12Å; L345-L359 HydrophobicContact CD2-CB 3.77Å; L345-L359 HydrophobicContact CD2-CD1 4.29Å; L345-L359 HydrophobicContact CG-CB 3.65Å; L345-L359 HydrophobicContact CG-CD1 4.28Å; L348-L359 HydrophobicContact CD1-CD1 4.11Å; E355-L359 WeakPolarHBondContact O-CB 3.5Å; E355-L359 WeakPolarHBondContact O-CG 3.47Å; E355-L359 PolarHBondContact O-N 3.26Å; L359-L362 PolarHBondContact O-N 3.22Å; L359-S363 WeakPolarHBondContact O-CB 3.46Å; L359-S363 PolarHBondContact O-N 3.31Å
360R88.4Confident83.6Confident106 Ų10663.4 Ų63.440%0.430%0.298SS..Hα-helixtrans-61.6-43.7171.8-78170.9177.9-161.2-6111.9L345 K351 G356 Q357 L358 L362 S363 M364 L376L345-R360 HydrophobicContact CD1-CG 3.8Å; L345-R360 HydrophobicContact CD2-CG 4.04Å; K351-R360 VanDerWaalsContact CD-NH2 3.32Å; G356-R360 WeakPolarHBondContact O-CB 3.17Å; G356-R360 VanDerWaalsContact O-CG 3.23Å; G356-R360 WeakPolarHBondContact O-CG 3.41Å; G356-R360 PolarHBondContact O-N 2.95Å; Q357-R360 PolarHBondContact O-N 3.4Å; L358-R360 VanDerWaalsContact C-N 3.31Å; L358-R360 PolarHBondContact O-N 3.15Å; R360-L362 VanDerWaalsContact C-N 3.34Å; R360-S363 WeakPolarHBondContact O-CB 3.39Å; R360-S363 PolarHBondContact O-N 3.48Å; R360-M364 WeakPolarHBondContact O-CG 3.05Å; R360-M364 PolarHBondContact O-N 3.5Å; R360-M364 VanDerWaalsContact O-N 3.08Å; R360-L376 HydrophobicContact CB-CD2 3.91Å
361G87.8Confident84.1Confident0 Ų061.1 Ų61.10%029%0.287CS..Hα-helixtrans-59-46.2174.300000111.6Q357 L358 S363 M364 Y365Q357-G361 PolarHBondContact O-N 2.89Å; L358-G361 CarbonylContact O-C 3.51Å; L358-G361 WeakPolarHBondContact O-CA 3.5Å; L358-G361 PolarHBondContact O-N 2.83Å; L358-G361 VanDerWaalsContact O-N 3.09Å; G361-S363 VanDerWaalsContact C-N 3.32Å; G361-S363 PolarHBondContact O-N 3.47Å; G361-M364 PolarHBondContact O-N 3.25Å; G361-Y365 VanDerWaalsContact O-CD2 3.29Å; G361-Y365 WeakPolarHBondContact O-CD2 3.02Å; G361-Y365 PolarHBondContact O-N 3.02Å
362L89.1Confident84.7Confident5 Ų559.2 Ų59.23%0.02628%0.284CS..Hα-helixtrans-65.2-35178.6-68.5171.4000112.5V313 L317 W335 P341 L358 L359 R360 M364 G366 I370 A373V313-L362 HydrophobicContact CG1-CD1 4.04Å; L317-L362 HydrophobicContact CD1-CD1 3.94Å; W335-L362 HydrophobicContact CH2-CD1 3.85Å; W335-L362 HydrophobicContact CZ2-CD1 4.24Å; W335-L362 HydrophobicContact CZ3-CD1 4.49Å; P341-L362 HydrophobicContact CB-CB 4.3Å; P341-L362 HydrophobicContact CG-CB 3.88Å; L358-L362 HydrophobicContact CD1-CD1 4.46Å; L358-L362 HydrophobicContact CD1-CG 4.42Å; L358-L362 HydrophobicContact CG-CD1 4.13Å; L358-L362 WeakPolarHBondContact O-CG 3.43Å; L358-L362 PolarHBondContact O-N 2.78Å; L359-L362 PolarHBondContact O-N 3.22Å; R360-L362 VanDerWaalsContact C-N 3.34Å; L362-M364 VanDerWaalsContact C-N 3.35Å; L362-G366 WeakPolarHBondContact O-CA 3.46Å; L362-G366 PolarHBondContact O-N 3.2Å; L362-I370 HydrophobicContact CD2-CG1 4.37Å; L362-A373 HydrophobicContact CD2-CB 4.05Å; L362-A373 HydrophobicContact CG-CB 4.35Å
363S89.6Confident85.4Confident50 Ų5049.5 Ų49.535%0.3525%0.247SC..Hα-helixtrans-64.6-37.7173.8-169.80000112.3L359 R360 G361L359-S363 WeakPolarHBondContact O-CB 3.46Å; L359-S363 PolarHBondContact O-N 3.31Å; R360-S363 WeakPolarHBondContact O-CB 3.39Å; R360-S363 PolarHBondContact O-N 3.48Å; G361-S363 VanDerWaalsContact C-N 3.32Å; G361-S363 PolarHBondContact O-N 3.47Å
364M86.3Confident85.8Confident127 Ų12748.2 Ų48.263%0.62624%0.239SC*.Hα-helixtrans-82.4-41.1-176.7-70.4178.667.900113.4R360 G361 L362R360-M364 WeakPolarHBondContact O-CG 3.05Å; R360-M364 PolarHBondContact O-N 3.5Å; R360-M364 VanDerWaalsContact O-N 3.08Å; G361-M364 PolarHBondContact O-N 3.25Å; L362-M364 VanDerWaalsContact C-N 3.35Å
365Y84.6Confident85.9Confident106 Ų10648.6 Ų48.642%0.41625%0.248SC..Hα-helixtrans-109-8.7-171-58.7-73.3000113.7G361 T372 A373G361-Y365 VanDerWaalsContact O-CD2 3.29Å; G361-Y365 WeakPolarHBondContact O-CD2 3.02Å; G361-Y365 PolarHBondContact O-N 3.02Å; Y365-T372 HydrophobicContact CD1-CG2 3.9Å; Y365-T372 HydrophobicContact CD2-CG2 4.07Å; Y365-T372 HydrophobicContact CE1-CG2 3.72Å; Y365-T372 HydrophobicContact CE2-CG2 3.92Å; Y365-T372 HydrophobicContact CG-CG2 4.07Å; Y365-A373 HydrophobicContact CD2-CB 4.44Å
366G81Confident86Confident30 Ų3051 Ų5131%0.30926%0.261SS..  trans70.1174.5-177.100000113.9L362 K368 N369L362-G366 WeakPolarHBondContact O-CA 3.46Å; L362-G366 PolarHBondContact O-N 3.2Å; G366-K368 PolarHBondContact O-N 3.34Å; G366-N369 PolarHBondContact O-N 3.09Å
367K76.7Confident86Confident102 Ų10251.1 Ų51.144%0.44326%0.262SS..THydrogen-bonded Turntrans-71.7-12.4-177.8-60.3-175.3-175.1-176.60114.3Q339 I370Q339-K367 WeakPolarHBondContact O-CE 3.36Å; Q339-K367 PolarHBondContact O-NZ 3.35Å; K367-I370 WeakPolarHBondContact O-CG1 3.35Å
368K78.4Confident85.9Confident218 Ų21852.3 Ų52.395%0.94827%0.272SS*.THydrogen-bonded Turntrans-78.4-21.8179.2-66.6-174.6179.4-178.40112.8G366G366-K368 PolarHBondContact O-N 3.34Å
369N85.4Confident85.7Confident67 Ų6758.7 Ų58.736%0.35830%0.296SS..  trans-128.362.9-179.2-165.7-1.5000112.1G366 V371 T372 A373G366-N369 PolarHBondContact O-N 3.09Å; N369-V371 PolarHBondContact O-N 2.92Å; N369-T372 VanDerWaalsContact CG-OG1 3.32Å; N369-T372 PolarHBondContact ND2-OG1 3.34Å; N369-T372 PolarHBondContact O-N 3.22Å; N369-T372 PolarHBondContact OD1-N 3.12Å; N369-T372 PolarHBondContact OD1-OG1 2.97Å; N369-T372 VanDerWaalsContact OD1-OG1 3.06Å; N369-A373 PolarHBondContact O-N 3.44Å; N369-A373 VanDerWaalsContact O-N 3.15Å
370I86.1Confident85.5Confident13 Ų1364.2 Ų64.27%0.06733%0.326CS..Hα-helixtrans-62.6-32.2-179.7-60.1171.6000111.4W309 N310 V313 L362 K367 T372 A373 F374W309-I370 HydrophobicContact CB-CB 3.96Å; W309-I370 HydrophobicContact CB-CD1 4.31Å; W309-I370 HydrophobicContact CB-CG2 3.85Å; W309-I370 HydrophobicContact CE3-CG2 4.35Å; N310-I370 WeakPolarHBondContact OD1-CD1 3.09Å; V313-I370 HydrophobicContact CG2-CB 4.5Å; V313-I370 HydrophobicContact CG2-CD1 4.18Å; V313-I370 HydrophobicContact CG2-CG1 4.39Å; V313-I370 HydrophobicContact CG2-CG2 3.34Å; L362-I370 HydrophobicContact CD2-CG1 4.37Å; K367-I370 WeakPolarHBondContact O-CG1 3.35Å; I370-T372 PolarHBondContact O-N 2.96Å; I370-A373 WeakPolarHBondContact O-CB 3.16Å; I370-A373 PolarHBondContact O-N 2.89Å; I370-F374 VanDerWaalsContact O-CB 3.31Å; I370-F374 WeakPolarHBondContact O-CB 3.45Å; I370-F374 PolarHBondContact O-N 2.87Å
371V86.8Confident85.3Confident47 Ų4762 Ų6229%0.28532%0.322SS..Hα-helixtrans-60.3-49.6-179.7-169.60000110.7W309 N369 F374 G375 V475W309-V371 HydrophobicContact CD2-CG2 3.83Å; W309-V371 HydrophobicContact CG-CG2 3.93Å; W309-V371 HydrophobicContact CH2-CG1 4.34Å; W309-V371 HydrophobicContact CZ2-CG1 3.99Å; W309-V371 HydrophobicContact CZ2-CG2 4.18Å; N369-V371 PolarHBondContact O-N 2.92Å; V371-F374 PolarHBondContact O-N 3.36Å; V371-G375 PolarHBondContact O-N 3.29Å; V371-V475 HydrophobicContact CG1-CG2 4.07Å
372T86.9Confident85.3Confident59 Ų5963 Ų6336%0.36233%0.326SS..Hα-helixtrans-68.4-37.7177.3-54.40000111.6Y365 N369 I370 G375Y365-T372 HydrophobicContact CD1-CG2 3.9Å; Y365-T372 HydrophobicContact CD2-CG2 4.07Å; Y365-T372 HydrophobicContact CE1-CG2 3.72Å; Y365-T372 HydrophobicContact CE2-CG2 3.92Å; Y365-T372 HydrophobicContact CG-CG2 4.07Å; N369-T372 VanDerWaalsContact CG-OG1 3.32Å; N369-T372 PolarHBondContact ND2-OG1 3.34Å; N369-T372 PolarHBondContact O-N 3.22Å; N369-T372 PolarHBondContact OD1-N 3.12Å; N369-T372 PolarHBondContact OD1-OG1 2.97Å; N369-T372 VanDerWaalsContact OD1-OG1 3.06Å; I370-T372 PolarHBondContact O-N 2.96Å; T372-G375 PolarHBondContact O-N 3.07Å
373A86.9Confident85.3Confident0 Ų063.8 Ų63.80%033%0.33CS..Hα-helixtrans-60-46.1174.700000112.5L362 Y365 N369 I370 G375 L376L362-A373 HydrophobicContact CD2-CB 4.05Å; L362-A373 HydrophobicContact CG-CB 4.35Å; Y365-A373 HydrophobicContact CD2-CB 4.44Å; N369-A373 PolarHBondContact O-N 3.44Å; N369-A373 VanDerWaalsContact O-N 3.15Å; I370-A373 WeakPolarHBondContact O-CB 3.16Å; I370-A373 PolarHBondContact O-N 2.89Å; A373-G375 VanDerWaalsContact C-N 3.28Å; A373-G375 PolarHBondContact O-N 2.64Å; A373-L376 WeakPolarHBondContact O-CB 3.37Å; A373-L376 PolarHBondContact O-N 2.66Å
374F88Confident85.2Confident0 Ų066.4 Ų66.40%034%0.338CS..Hα-helixtrans-66.9-32.3176.5-171.7-98.4000111.4I304 W309 V312 I316 L358 I370 V371 L376 I377 R382 Y385 Y478I304-F374 HydrophobicContact CD1-CE1 4.04Å; I304-F374 HydrophobicContact CD1-CZ 3.85Å; W309-F374 HydrophobicContact CH2-CD1 4.43Å; W309-F374 HydrophobicContact CZ3-CB 4.16Å; W309-F374 AromaticContact CZ3-CD1 3.79Å; W309-F374 HydrophobicContact CZ3-CD1 3.79Å; W309-F374 HydrophobicContact CZ3-CE1 4.4Å; W309-F374 HydrophobicContact CZ3-CG 4.04Å; V312-F374 HydrophobicContact CG1-CD2 4.04Å; V312-F374 HydrophobicContact CG1-CE2 3.9Å; V312-F374 HydrophobicContact CG1-CZ 4.5Å; I316-F374 HydrophobicContact CD1-CD2 4.4Å; I316-F374 HydrophobicContact CD1-CE2 3.75Å; L358-F374 HydrophobicContact CD1-CB 4.4Å; L358-F374 HydrophobicContact CD1-CD2 4.09Å; I370-F374 VanDerWaalsContact O-CB 3.31Å; I370-F374 WeakPolarHBondContact O-CB 3.45Å; I370-F374 PolarHBondContact O-N 2.87Å; V371-F374 PolarHBondContact O-N 3.36Å; F374-L376 PolarHBondContact O-N 3.03Å; F374-L376 VanDerWaalsContact O-N 3.11Å; F374-I377 HydrophobicContact CD2-CD1 3.52Å; F374-I377 HydrophobicContact CE2-CD1 3.54Å; F374-I377 HydrophobicContact CG-CD1 4.15Å; F374-I377 HydrophobicContact CZ-CD1 4.22Å; F374-I377 WeakPolarHBondContact O-CB 3.36Å; F374-I377 WeakPolarHBondContact O-CG1 3.44Å; F374-I377 PolarHBondContact O-N 2.93Å; F374-R382 HydrophobicContact CD1-CG 4.12Å; F374-R382 HydrophobicContact CE1-CB 3.91Å; F374-R382 HydrophobicContact CE1-CG 3.53Å; F374-R382 HydrophobicContact CZ-CB 4.4Å; F374-R382 HydrophobicContact CZ-CG 4Å; F374-R382 WeakPolarHBondContact O-CD 3.49Å; F374-Y385 HydrophobicContact CZ-CD2 4.12Å; F374-Y385 HydrophobicContact CZ-CE2 4.28Å; F374-Y478 VanDerWaalsContact CD1-OH 3.24Å; F374-Y478 WeakPolarHBondContact CD1-OH 3.43Å; F374-Y478 HydrophobicContact CE1-CE1 4.38Å; F374-Y478 WeakPolarHBondContact CE1-OH 3.49Å
375G86.4Confident85.3Confident34 Ų3461.6 Ų61.635%0.35131%0.313SS..Hα-helixtrans-58.3-19174.500000115.3V371 T372 A373 I377V371-G375 PolarHBondContact O-N 3.29Å; T372-G375 PolarHBondContact O-N 3.07Å; A373-G375 VanDerWaalsContact C-N 3.28Å; A373-G375 PolarHBondContact O-N 2.64Å; G375-I377 PolarHBondContact O-N 3.47Å
376L86.5Confident85.6Confident74 Ų7456.6 Ų56.639%0.38729%0.293SS..THydrogen-bonded Turntrans-67.7-22.6174-165.367.6000112.6R360 A373 F374R360-L376 HydrophobicContact CB-CD2 3.91Å; A373-L376 WeakPolarHBondContact O-CB 3.37Å; A373-L376 PolarHBondContact O-N 2.66Å; F374-L376 PolarHBondContact O-N 3.03Å; F374-L376 VanDerWaalsContact O-N 3.11Å
377I86.8Confident86.1Confident2 Ų258 Ų581%0.0129%0.292CS..SBendtrans-70.1135.3175.2-60.7163.2000108.8V354 Q357 L358 F374 G375 R379 N381 R382V354-I377 HydrophobicContact CG1-CD1 3.92Å; Q357-I377 HydrophobicContact CB-CG1 3.9Å; L358-I377 HydrophobicContact CB-CD1 4.31Å; F374-I377 HydrophobicContact CD2-CD1 3.52Å; F374-I377 HydrophobicContact CE2-CD1 3.54Å; F374-I377 HydrophobicContact CG-CD1 4.15Å; F374-I377 HydrophobicContact CZ-CD1 4.22Å; F374-I377 WeakPolarHBondContact O-CB 3.36Å; F374-I377 WeakPolarHBondContact O-CG1 3.44Å; F374-I377 PolarHBondContact O-N 2.93Å; G375-I377 PolarHBondContact O-N 3.47Å; I377-R379 PolarHBondContact O-N 2.86Å; I377-N381 HydrophobicContact CG2-CB 3.8Å; I377-R382 HydrophobicContact CB-CG 3.82Å; I377-R382 HydrophobicContact CG2-CG 3.78Å; I377-R382 WeakPolarHBondContact O-CD 3.39Å; I377-R382 PolarHBondContact O-NE 3Å
378P85Confident86.7Confident59 Ų5953.2 Ų53.238%0.38327%0.271SS..  trans-50.8136176.5-27.934.8000112.4N380 N381 R382P378-N380 PolarHBondContact O-N 3.05Å; P378-N380 VanDerWaalsContact O-N 3.11Å; P378-N381 PolarHBondContact O-N 2.87Å; P378-R382 PolarHBondContact O-N 3.47Å
379R84.8Confident87.3Confident133 Ų13343 Ų4350%0.50223%0.226SC..Hα-helixtrans-48.9-43-175.5-176.6175.5177.9-96.7-2.2113.2I377 N381 R382 L383 D477I377-R379 PolarHBondContact O-N 2.86Å; R379-N381 PolarHBondContact O-N 3.01Å; R379-R382 PolarHBondContact O-N 3.44Å; R379-L383 HydrophobicContact CG-CD1 4.02Å; R379-L383 HydrophobicContact CG-CG 4.28Å; R379-L383 WeakPolarHBondContact O-CG 3.49Å; R379-L383 PolarHBondContact O-N 3.04Å; R379-D477 IonicContact NE-OD1 3.8Å
380N83.9Confident87.6Confident117 Ų11740.2 Ų40.263%0.62621%0.211SC*.Hα-helixtrans-59.5-43.8-179.3-65.5-3000112.3P378 R382 L383 M384P378-N380 PolarHBondContact O-N 3.05Å; P378-N380 VanDerWaalsContact O-N 3.11Å; N380-R382 VanDerWaalsContact C-N 3.33Å; N380-R382 PolarHBondContact O-N 3Å; N380-L383 PolarHBondContact O-N 3.37Å; N380-M384 WeakPolarHBondContact O-CG 3.33Å; N380-M384 PolarHBondContact O-N 2.93Å; N380-M384 VanDerWaalsContact O-N 3.09Å
381N84.2Confident88Confident59 Ų5939.7 Ų39.732%0.31621%0.209SC..Hα-helixtrans-67.5-36.4179.3-65.110.5000111.2I377 P378 R379 M384 Y385I377-N381 HydrophobicContact CG2-CB 3.8Å; P378-N381 PolarHBondContact O-N 2.87Å; R379-N381 PolarHBondContact O-N 3.01Å; N381-M384 WeakPolarHBondContact O-CB 3.32Å; N381-M384 PolarHBondContact O-N 3.37Å; N381-Y385 WeakPolarHBondContact O-CD2 3.3Å
382R88.7Confident88.2Confident22 Ų2238.2 Ų38.28%0.08320%0.2CC..Hα-helixtrans-65.5-45.1176.4-63-168.9-81.4131.73.3111.5F374 I377 P378 R379 N380 M384 Y385 D477 Y478F374-R382 HydrophobicContact CD1-CG 4.12Å; F374-R382 HydrophobicContact CE1-CB 3.91Å; F374-R382 HydrophobicContact CE1-CG 3.53Å; F374-R382 HydrophobicContact CZ-CB 4.4Å; F374-R382 HydrophobicContact CZ-CG 4Å; F374-R382 WeakPolarHBondContact O-CD 3.49Å; I377-R382 HydrophobicContact CB-CG 3.82Å; I377-R382 HydrophobicContact CG2-CG 3.78Å; I377-R382 WeakPolarHBondContact O-CD 3.39Å; I377-R382 PolarHBondContact O-NE 3Å; P378-R382 PolarHBondContact O-N 3.47Å; R379-R382 PolarHBondContact O-N 3.44Å; N380-R382 VanDerWaalsContact C-N 3.33Å; N380-R382 PolarHBondContact O-N 3Å; R382-M384 VanDerWaalsContact C-N 3.26Å; R382-M384 PolarHBondContact O-N 2.79Å; R382-Y385 PolarHBondContact O-N 2.99Å; R382-D477 IonicContact CZ-OD2 2.87Å; R382-D477 VanDerWaalsContact CZ-OD2 3.32Å; R382-D477 IonicContact NH1-OD2 3.02Å; R382-D477 PolarHBondContact NH1-OD2 3.01Å; R382-D477 IonicContact NH2-OD2 3.81Å; R382-D477 PolarHBondContact NH2-OD2 3.39Å; R382-Y478 HydrophobicContact CB-CE1 4.15Å; R382-Y478 PolarHBondContact NH1-OH 2.79Å
383L88.3Confident88.5Confident21 Ų2135.5 Ų35.511%0.1118%0.183CC..Hα-helixtrans-63.9-30.2177.6-71.4178.2000112.7R379 N380 Y385 V386 H387 D477R379-L383 HydrophobicContact CG-CD1 4.02Å; R379-L383 HydrophobicContact CG-CG 4.28Å; R379-L383 WeakPolarHBondContact O-CG 3.49Å; R379-L383 PolarHBondContact O-N 3.04Å; N380-L383 PolarHBondContact O-N 3.37Å; L383-Y385 VanDerWaalsContact C-N 3.26Å; L383-Y385 PolarHBondContact O-N 3.46Å; L383-V386 PolarHBondContact O-N 3.14Å; L383-H387 WeakPolarHBondContact O-CB 3.44Å; L383-H387 PolarHBondContact O-N 3.47Å; L383-H387 PolarHBondContact O-ND1 3.46Å; L383-D477 WeakPolarHBondContact CD2-O 3.26Å
384M87.2Confident88.8Confident105 Ų10535.5 Ų35.552%0.51718%0.183SC..Hα-helixtrans-57.6-37.4176.4-75176.569.900112.8N380 N381 R382 S388N380-M384 WeakPolarHBondContact O-CG 3.33Å; N380-M384 PolarHBondContact O-N 2.93Å; N380-M384 VanDerWaalsContact O-N 3.09Å; N381-M384 WeakPolarHBondContact O-CB 3.32Å; N381-M384 PolarHBondContact O-N 3.37Å; R382-M384 VanDerWaalsContact C-N 3.26Å; R382-M384 PolarHBondContact O-N 2.79Å; M384-S388 VanDerWaalsContact O-CB 3.29Å; M384-S388 WeakPolarHBondContact O-CB 3.37Å; M384-S388 PolarHBondContact O-N 2.95Å; M384-S388 PolarHBondContact O-OG 3.3Å
385Y89.8Confident89.2Confident26 Ų2635.5 Ų35.510%0.10218%0.183CC..Hα-helixtrans-64.6-50.1177.2-64.5-63.6000111.4T297 V300 G301 I304 F374 N381 R382 L383 H387 S388 Y389T297-Y385 HydrophobicContact CG2-CD1 4.18Å; T297-Y385 HydrophobicContact CG2-CE1 4.06Å; V300-Y385 HydrophobicContact CB-CD1 3.68Å; V300-Y385 HydrophobicContact CB-CE1 4.19Å; V300-Y385 HydrophobicContact CB-CG 4.12Å; V300-Y385 HydrophobicContact CG1-CD1 3.69Å; V300-Y385 HydrophobicContact CG1-CD2 4.15Å; V300-Y385 HydrophobicContact CG1-CE1 4.1Å; V300-Y385 HydrophobicContact CG1-CG 3.73Å; V300-Y385 HydrophobicContact CG2-CD1 4.25Å; V300-Y385 HydrophobicContact CG2-CE1 4.31Å; G301-Y385 WeakPolarHBondContact CA-O 3.4Å; I304-Y385 HydrophobicContact CD1-CD2 4.35Å; I304-Y385 HydrophobicContact CD1-CG 4.4Å; F374-Y385 HydrophobicContact CZ-CD2 4.12Å; F374-Y385 HydrophobicContact CZ-CE2 4.28Å; N381-Y385 WeakPolarHBondContact O-CD2 3.3Å; R382-Y385 PolarHBondContact O-N 2.99Å; L383-Y385 VanDerWaalsContact C-N 3.26Å; L383-Y385 PolarHBondContact O-N 3.46Å; Y385-H387 PolarHBondContact O-N 3.19Å; Y385-S388 PolarHBondContact O-N 2.95Å; Y385-S388 PolarHBondContact O-OG 2.91Å; Y385-Y389 PolarHBondContact O-N 3.39Å
386V90.6Very high89.5Confident0 Ų035.3 Ų35.30%018%0.175CC..Hα-helixtrans-65.8-42.9-178.2-1710000111.1I304 L305 L383 S388 Y389 Q390 Y478 L480I304-V386 HydrophobicContact CB-CG2 4.39Å; I304-V386 HydrophobicContact CD1-CG2 4.33Å; I304-V386 HydrophobicContact CG2-CG2 3.92Å; L305-V386 HydrophobicContact CD1-CG1 4.09Å; L305-V386 HydrophobicContact CD2-CG1 3.75Å; L305-V386 HydrophobicContact CG-CG1 4.01Å; L383-V386 PolarHBondContact O-N 3.14Å; V386-S388 VanDerWaalsContact C-N 3.28Å; V386-S388 PolarHBondContact O-N 3.38Å; V386-Y389 WeakPolarHBondContact O-CB 3.24Å; V386-Y389 PolarHBondContact O-N 3.03Å; V386-Y389 VanDerWaalsContact O-N 3.17Å; V386-Q390 PolarHBondContact O-N 2.86Å; V386-Y478 HydrophobicContact CG2-CD1 4Å; V386-L480 HydrophobicContact CB-CD2 4.41Å; V386-L480 HydrophobicContact CG1-CD1 3.36Å; V386-L480 HydrophobicContact CG1-CD2 3.6Å; V386-L480 HydrophobicContact CG1-CG 3.77Å
387H90.3Very high89.8Confident61 Ų6131.8 Ų31.828%0.28216%0.157SC..Hα-helixtrans-65.9-29.9175.6-62.3166.2000112.8R289 L383 Y385 Y389 Q390 S391R289-H387 VanDerWaalsContact NH2-CB 3.28Å; L383-H387 WeakPolarHBondContact O-CB 3.44Å; L383-H387 PolarHBondContact O-N 3.47Å; L383-H387 PolarHBondContact O-ND1 3.46Å; Y385-H387 PolarHBondContact O-N 3.19Å; H387-Y389 VanDerWaalsContact C-N 3.32Å; H387-Q390 PolarHBondContact CD2-OE1 2.76Å; H387-Q390 VanDerWaalsContact CD2-OE1 3.26Å; H387-Q390 PolarHBondContact O-N 3.44Å; H387-S391 PolarHBondContact O-N 2.99Å; H387-S391 PolarHBondContact O-OG 3.28Å; H387-S391 VanDerWaalsContact O-OG 3.08Å
388S90.2Very high90.1Very high0 Ų031.7 Ų31.70%016%0.156CC..Hα-helixtrans-68.7-31.8174.672.70000112.3F290 T297 Q298 M384 Y385 V386 S391 V392F290-S388 WeakPolarHBondContact CE1-O 3.37Å; T297-S388 WeakPolarHBondContact CB-OG 3.4Å; T297-S388 PolarHBondContact O-OG 3.49Å; T297-S388 WeakPolarHBondContact OG1-CB 3.32Å; T297-S388 PolarHBondContact OG1-OG 3Å; T297-S388 VanDerWaalsContact OG1-OG 3.1Å; Q298-S388 WeakPolarHBondContact CA-OG 3.32Å; Q298-S388 PolarHBondContact N-OG 3.19Å; M384-S388 VanDerWaalsContact O-CB 3.29Å; M384-S388 WeakPolarHBondContact O-CB 3.37Å; M384-S388 PolarHBondContact O-N 2.95Å; M384-S388 PolarHBondContact O-OG 3.3Å; Y385-S388 PolarHBondContact O-N 2.95Å; Y385-S388 PolarHBondContact O-OG 2.91Å; V386-S388 VanDerWaalsContact C-N 3.28Å; V386-S388 PolarHBondContact O-N 3.38Å; S388-S391 WeakPolarHBondContact O-CB 3.36Å; S388-S391 PolarHBondContact O-N 3.33Å; S388-V392 PolarHBondContact O-N 2.75Å
389Y91.3Very high90.5Very high3 Ų329 Ų291%0.01214%0.139CC..Hα-helixtrans-65.8-48.2171.2176.3-101.9000111.3R302 L305 Y385 V386 H387 S391 V392 V393 L461 D464 L466R302-Y389 HydrophobicContact CB-CD2 3.76Å; R302-Y389 HydrophobicContact CB-CE2 3.9Å; R302-Y389 HydrophobicContact CB-CG 4.49Å; R302-Y389 HydrophobicContact CG-CD2 4.39Å; R302-Y389 HydrophobicContact CG-CE2 4.01Å; L305-Y389 HydrophobicContact CD1-CD1 3.41Å; L305-Y389 VanDerWaalsContact CD1-CD1 3.41Å; L305-Y389 HydrophobicContact CD1-CE1 3.82Å; L305-Y389 HydrophobicContact CD1-CG 4.22Å; Y385-Y389 PolarHBondContact O-N 3.39Å; V386-Y389 WeakPolarHBondContact O-CB 3.24Å; V386-Y389 PolarHBondContact O-N 3.03Å; V386-Y389 VanDerWaalsContact O-N 3.17Å; H387-Y389 VanDerWaalsContact C-N 3.32Å; Y389-S391 PolarHBondContact O-N 3.02Å; Y389-V392 PolarHBondContact O-N 2.75Å; Y389-V393 HydrophobicContact CD1-CG2 4.32Å; Y389-V393 HydrophobicContact CE1-CG2 3.83Å; Y389-V393 HydrophobicContact CE2-CG2 4.19Å; Y389-V393 PolarHBondContact O-N 2.93Å; Y389-V393 VanDerWaalsContact O-N 3.13Å; Y389-L461 HydrophobicContact CE1-CD2 4.03Å; Y389-D464 VanDerWaalsContact CE2-OD2 3.26Å; Y389-D464 WeakPolarHBondContact CE2-OD2 3.25Å; Y389-D464 VanDerWaalsContact OH-CB 3.24Å; Y389-D464 WeakPolarHBondContact OH-CB 3.46Å; Y389-D464 PolarHBondContact OH-OD2 3.34Å; Y389-L466 HydrophobicContact CE1-CD1 3.54Å
390Q92Very high90.8Very high10 Ų1027.1 Ų27.15%0.04713%0.132CC..Hα-helixtrans-54.1-39173.8-66.3179.5-63.600112V386 H387 V393 W394 L441 P442 L480V386-Q390 PolarHBondContact O-N 2.86Å; H387-Q390 PolarHBondContact CD2-OE1 2.76Å; H387-Q390 VanDerWaalsContact CD2-OE1 3.26Å; H387-Q390 PolarHBondContact O-N 3.44Å; Q390-V393 PolarHBondContact O-N 2.82Å; Q390-W394 VanDerWaalsContact O-CB 3.3Å; Q390-W394 WeakPolarHBondContact O-CB 3.4Å; Q390-W394 PolarHBondContact O-N 2.79Å; Q390-L441 HydrophobicContact CB-CB 4.45Å; Q390-L441 HydrophobicContact CB-CD2 3.95Å; Q390-P442 HydrophobicContact CB-CG 4.37Å; Q390-P442 HydrophobicContact CG-CG 4.16Å; Q390-P442 PolarHBondContact NE2-O 2.84Å; Q390-L480 HydrophobicContact CG-CD1 3.67Å
391S92.9Very high91.2Very high1 Ų121.7 Ų21.71%0.00710%0.102CC..Hα-helixtrans-63.2-38.2176.5-680000113.7Y285 H387 S388 Y389 N395Y285-S391 VanDerWaalsContact CD1-OG 3.26Å; Y285-S391 WeakPolarHBondContact CD1-OG 3.49Å; Y285-S391 VanDerWaalsContact CD2-CB 3.47Å; Y285-S391 WeakPolarHBondContact CD2-OG 3.29Å; Y285-S391 WeakPolarHBondContact CE1-OG 3.48Å; Y285-S391 VanDerWaalsContact CG-CB 3.45Å; Y285-S391 VanDerWaalsContact CG-OG 3.24Å; H387-S391 PolarHBondContact O-N 2.99Å; H387-S391 PolarHBondContact O-OG 3.28Å; H387-S391 VanDerWaalsContact O-OG 3.08Å; S388-S391 WeakPolarHBondContact O-CB 3.36Å; S388-S391 PolarHBondContact O-N 3.33Å; Y389-S391 PolarHBondContact O-N 3.02Å; S391-N395 WeakPolarHBondContact O-CB 3.42Å; S391-N395 VanDerWaalsContact O-CG 3.29Å; S391-N395 PolarHBondContact O-N 3.46Å; S391-N395 PolarHBondContact O-OD1 2.88Å
392V91.7Very high91.6Very high17 Ų1719.6 Ų19.610%0.1039%0.091CC..Hα-helixtrans-68.4-45176.4174.40000111F290 Q298 S388 Y389 W394 N395 T396F290-V392 HydrophobicContact CD1-CG2 3.68Å; F290-V392 HydrophobicContact CE1-CB 4.32Å; F290-V392 HydrophobicContact CE1-CG2 3.25Å; F290-V392 HydrophobicContact CZ-CG2 3.93Å; Q298-V392 HydrophobicContact CB-CG2 3.52Å; Q298-V392 HydrophobicContact CG-CG2 3.79Å; S388-V392 PolarHBondContact O-N 2.75Å; Y389-V392 PolarHBondContact O-N 2.75Å; V392-W394 VanDerWaalsContact C-N 3.3Å; V392-W394 PolarHBondContact O-N 2.81Å; V392-N395 PolarHBondContact O-N 3.02Å; V392-T396 PolarHBondContact O-N 2.86Å; V392-T396 PolarHBondContact O-OG1 3.48Å
393V92.5Very high91.6Very high1 Ų124.7 Ų24.71%0.00612%0.116CC..Hα-helixtrans-58.1-48.1176.4-179.90000109.4Y389 Q390 T396 M397 P442 Y457 L460 L461Y389-V393 HydrophobicContact CD1-CG2 4.32Å; Y389-V393 HydrophobicContact CE1-CG2 3.83Å; Y389-V393 HydrophobicContact CE2-CG2 4.19Å; Y389-V393 PolarHBondContact O-N 2.93Å; Y389-V393 VanDerWaalsContact O-N 3.13Å; Q390-V393 PolarHBondContact O-N 2.82Å; V393-T396 PolarHBondContact O-N 2.88Å; V393-M397 HydrophobicContact CG1-CG 4.28Å; V393-M397 VanDerWaalsContact O-CG 3.24Å; V393-M397 WeakPolarHBondContact O-CG 3.19Å; V393-M397 PolarHBondContact O-N 2.93Å; V393-P442 HydrophobicContact CB-CG 4.21Å; V393-P442 HydrophobicContact CG1-CG 4.1Å; V393-Y457 HydrophobicContact CG1-CD1 3.87Å; V393-Y457 HydrophobicContact CG1-CE1 3.88Å; V393-L460 HydrophobicContact CB-CD2 4.38Å; V393-L460 HydrophobicContact CG1-CD2 4.12Å; V393-L460 HydrophobicContact CG2-CD2 3.74Å; V393-L461 HydrophobicContact CG2-CD2 4.3Å
394W94.8Very high91.7Very high0 Ų026.2 Ų26.20%013%0.131CC..Hα-helixtrans-60.8-47.4178.7-17092.4000113N283 Y285 Q390 V392 T396 M397 V398 M439 L441 R485N283-W394 HydrophobicContact CB-CH2 4.21Å; N283-W394 VanDerWaalsContact O-CH2 3.29Å; N283-W394 WeakPolarHBondContact O-CH2 3.43Å; N283-W394 WeakPolarHBondContact O-CZ3 3.34Å; Y285-W394 AromaticContact CD2-CE3 3.99Å; Y285-W394 HydrophobicContact CD2-CE3 3.99Å; Y285-W394 HydrophobicContact CE2-CD2 4.24Å; Y285-W394 HydrophobicContact CE2-CE3 4.11Å; Y285-W394 HydrophobicContact CE2-CG 4.42Å; Q390-W394 VanDerWaalsContact O-CB 3.3Å; Q390-W394 WeakPolarHBondContact O-CB 3.4Å; Q390-W394 PolarHBondContact O-N 2.79Å; V392-W394 VanDerWaalsContact C-N 3.3Å; V392-W394 PolarHBondContact O-N 2.81Å; W394-T396 VanDerWaalsContact C-N 3.32Å; W394-T396 PolarHBondContact O-N 3.45Å; W394-M397 PolarHBondContact O-N 3.28Å; W394-V398 HydrophobicContact CD2-CG2 3.8Å; W394-V398 HydrophobicContact CE3-CB 4.48Å; W394-V398 HydrophobicContact CE3-CG2 3.84Å; W394-V398 HydrophobicContact CH2-CG2 3.65Å; W394-V398 HydrophobicContact CZ2-CG2 3.59Å; W394-V398 HydrophobicContact CZ3-CB 4.31Å; W394-V398 HydrophobicContact CZ3-CG2 3.75Å; W394-V398 WeakPolarHBondContact O-CB 3.36Å; W394-V398 WeakPolarHBondContact O-CG2 3.45Å; W394-V398 PolarHBondContact O-N 2.9Å; W394-M439 HydrophobicContact CZ2-CB 4.33Å; W394-M439 PolarHBondContact NE1-O 3.26Å; W394-L441 HydrophobicContact CB-CD2 3.73Å; W394-L441 HydrophobicContact CG-CD2 3.93Å; W394-R485 HydrophobicContact CH2-CG 3.99Å; W394-R485 HydrophobicContact CZ2-CB 3.82Å; W394-R485 VanDerWaalsContact CZ2-CD 3.47Å; W394-R485 HydrophobicContact CZ2-CG 3.49Å; W394-R485 VanDerWaalsContact CZ2-CG 3.49Å
395N94.7Very high91.7Very high0 Ų024.2 Ų24.20%012%0.12CC..Hα-helixtrans-57.6-45.6177.1-78.7-0.5000111.5V14 G15 I16 Y284 Y285 F290 S391 V392 V398 S399V14-N395 WeakPolarHBondContact O-CB 3.4Å; V14-N395 PolarHBondContact O-ND2 2.94Å; V14-N395 VanDerWaalsContact O-ND2 3.12Å; G15-N395 CarbonylContact O-C 3.53Å; G15-N395 VanDerWaalsContact O-O 3.08Å; I16-N395 WeakPolarHBondContact CG1-ND2 3.42Å; Y284-N395 HydrophobicContact CD1-CB 3.99Å; Y284-N395 HydrophobicContact CE1-CB 4.43Å; Y285-N395 PolarHBondContact N-OD1 3.04Å; Y285-N395 PolarHBondContact O-ND2 3.45Å; Y285-N395 VanDerWaalsContact O-ND2 3.14Å; F290-N395 WeakPolarHBondContact CZ-ND2 3.44Å; S391-N395 WeakPolarHBondContact O-CB 3.42Å; S391-N395 VanDerWaalsContact O-CG 3.29Å; S391-N395 PolarHBondContact O-N 3.46Å; S391-N395 PolarHBondContact O-OD1 2.88Å; V392-N395 PolarHBondContact O-N 3.02Å; N395-V398 PolarHBondContact O-N 2.86Å; N395-S399 PolarHBondContact O-N 2.89Å; N395-S399 PolarHBondContact O-OG 3.03Å
396T92.7Very high91.6Very high31 Ų3124.3 Ų24.319%0.1913%0.129CC..Hα-helixtrans-64-43.7-179.9-52.40000111.3V392 V393 W394 S399 R400 L460V392-T396 PolarHBondContact O-N 2.86Å; V392-T396 PolarHBondContact O-OG1 3.48Å; V393-T396 PolarHBondContact O-N 2.88Å; W394-T396 VanDerWaalsContact C-N 3.32Å; W394-T396 PolarHBondContact O-N 3.45Å; T396-S399 PolarHBondContact O-N 3.39Å; T396-R400 WeakPolarHBondContact O-CG 3.39Å; T396-R400 PolarHBondContact O-N 3.46Å; T396-L460 HydrophobicContact CG2-CD1 3.83Å
397M92.4Very high91.4Very high0 Ų027.3 Ų27.30%014%0.144CC..Hα-helixtrans-68.8-37.1179.2-65.8-59.896.800112.5V393 W394 R400 R401 M439 I453 G456 Y457 L460V393-M397 HydrophobicContact CG1-CG 4.28Å; V393-M397 VanDerWaalsContact O-CG 3.24Å; V393-M397 WeakPolarHBondContact O-CG 3.19Å; V393-M397 PolarHBondContact O-N 2.93Å; W394-M397 PolarHBondContact O-N 3.28Å; M397-R400 HydrophobicContact CE-CG 4.43Å; M397-R400 PolarHBondContact O-N 2.97Å; M397-R401 WeakPolarHBondContact O-CB 3.5Å; M397-R401 PolarHBondContact O-N 2.91Å; M397-M439 HydrophobicContact CB-CE 4.12Å; M397-I453 HydrophobicContact CB-CG2 4.42Å; M397-G456 VanDerWaalsContact SD-C 3.57Å; M397-Y457 HydrophobicContact CB-CD2 4.29Å; M397-Y457 HydrophobicContact CB-CE1 4.26Å; M397-Y457 HydrophobicContact CB-CE2 3.61Å; M397-Y457 HydrophobicContact CG-CD1 3.88Å; M397-Y457 HydrophobicContact CG-CD2 3.76Å; M397-Y457 HydrophobicContact CG-CE1 3.69Å; M397-Y457 HydrophobicContact CG-CE2 3.52Å; M397-Y457 HydrophobicContact CG-CG 3.93Å; M397-Y457 VanDerWaalsContact CG-CZ 3.5Å; M397-Y457 HydrophobicContact SD-CD2 3.93Å; M397-Y457 HydrophobicContact SD-CE2 4.24Å; M397-Y457 HydrophobicContact SD-CG 4.1Å; M397-L460 HydrophobicContact CE-CB 4.35Å; M397-L460 HydrophobicContact CE-CD1 3.5Å
398V93.7Very high91.3Very high0 Ų032.2 Ų32.20%017%0.165CC..Hα-helixtrans-64-44.1172.5166.90000111.1I282 Y284 W394 N395 R400 R401 I402 M439 V487I282-V398 HydrophobicContact CG2-CG1 3.53Å; Y284-V398 HydrophobicContact CE1-CB 4.25Å; Y284-V398 HydrophobicContact CE1-CG1 3.9Å; W394-V398 HydrophobicContact CD2-CG2 3.8Å; W394-V398 HydrophobicContact CE3-CB 4.48Å; W394-V398 HydrophobicContact CE3-CG2 3.84Å; W394-V398 HydrophobicContact CH2-CG2 3.65Å; W394-V398 HydrophobicContact CZ2-CG2 3.59Å; W394-V398 HydrophobicContact CZ3-CB 4.31Å; W394-V398 HydrophobicContact CZ3-CG2 3.75Å; W394-V398 WeakPolarHBondContact O-CB 3.36Å; W394-V398 WeakPolarHBondContact O-CG2 3.45Å; W394-V398 PolarHBondContact O-N 2.9Å; N395-V398 PolarHBondContact O-N 2.86Å; V398-R400 VanDerWaalsContact C-N 3.33Å; V398-R400 PolarHBondContact O-N 3.47Å; V398-R401 PolarHBondContact O-N 3.47Å; V398-I402 HydrophobicContact CG1-CG1 4.31Å; V398-I402 WeakPolarHBondContact O-CG1 3.48Å; V398-I402 PolarHBondContact O-N 3.44Å; V398-M439 HydrophobicContact CG2-CB 4.19Å; V398-M439 HydrophobicContact CG2-CG 4.14Å; V398-V487 HydrophobicContact CG1-CG1 3.88Å
399S93.4Very high91.2Very high2 Ų233.1 Ų33.11%0.01417%0.172CC..Hα-helixtrans-57.3-45.7174.6-74.40000111.9G15 L17 Y284 N395 T396 I402 E403G15-S399 PolarHBondContact O-OG 2.8Å; L17-S399 PolarHBondContact N-OG 3.5Å; Y284-S399 PolarHBondContact OH-OG 3.29Å; N395-S399 PolarHBondContact O-N 2.89Å; N395-S399 PolarHBondContact O-OG 3.03Å; T396-S399 PolarHBondContact O-N 3.39Å; S399-I402 PolarHBondContact O-N 3.02Å; S399-E403 WeakPolarHBondContact O-CB 3.15Å; S399-E403 PolarHBondContact O-N 3.2Å
400R92.4Very high91.2Very high94 Ų9434.5 Ų34.536%0.35518%0.181SC..Hα-helixtrans-62.9-41.4175.7-70.2-171.8-175.4-169.8-3.2112.1T396 M397 V398 E403 A404 I453 E459T396-R400 WeakPolarHBondContact O-CG 3.39Å; T396-R400 PolarHBondContact O-N 3.46Å; M397-R400 HydrophobicContact CE-CG 4.43Å; M397-R400 PolarHBondContact O-N 2.97Å; V398-R400 VanDerWaalsContact C-N 3.33Å; V398-R400 PolarHBondContact O-N 3.47Å; R400-E403 PolarHBondContact O-N 2.74Å; R400-A404 WeakPolarHBondContact O-CB 3.43Å; R400-A404 PolarHBondContact O-N 2.83Å; R400-I453 HydrophobicContact CB-CD1 4.06Å; R400-E459 IonicContact CZ-OE2 3.18Å; R400-E459 IonicContact NH1-OE2 3.92Å; R400-E459 PolarHBondContact NH1-OE2 2.81Å; R400-E459 IonicContact NH2-OE2 3.6Å
401R92.2Very high91Very high2 Ų240 Ų401%0.00821%0.207CC..Hα-helixtrans-63.4-43.3178.7171.359.7-167.766.3-1.4112.3M397 V398 F405 G406 K408 D413 I453M397-R401 WeakPolarHBondContact O-CB 3.5Å; M397-R401 PolarHBondContact O-N 2.91Å; V398-R401 PolarHBondContact O-N 3.47Å; R401-F405 PolarHBondContact O-N 3.15Å; R401-G406 PolarHBondContact NH1-O 3.24Å; R401-K408 PolarHBondContact NH2-O 3.46Å; R401-D413 IonicContact CZ-OD1 2.76Å; R401-D413 IonicContact CZ-OD2 3.74Å; R401-D413 IonicContact NE-OD1 2.69Å; R401-D413 PolarHBondContact NE-OD1 2.96Å; R401-D413 IonicContact NE-OD2 3.19Å; R401-D413 IonicContact NH2-OD1 3.66Å; R401-D413 PolarHBondContact NH2-OD1 2.65Å; R401-D413 IonicContact NH2-OD2 3.07Å; R401-D413 PolarHBondContact NH2-OD2 2.83Å; R401-I453 HydrophobicContact CB-CD1 4.11Å; R401-I453 HydrophobicContact CB-CG1 4.17Å
402I90.9Very high90.7Very high15 Ų1540 Ų408%0.07721%0.207CC..Hα-helixtrans-68.8-37.2177.3-63.5-58.6000110.7K18 I282 V398 S399 G406 L407 V487K18-I402 HydrophobicContact CB-CG2 4.1Å; K18-I402 HydrophobicContact CG-CB 4.5Å; K18-I402 HydrophobicContact CG-CG2 4.37Å; I282-I402 HydrophobicContact CD1-CG1 4.33Å; I282-I402 HydrophobicContact CD1-CG2 4.48Å; V398-I402 HydrophobicContact CG1-CG1 4.31Å; V398-I402 WeakPolarHBondContact O-CG1 3.48Å; V398-I402 PolarHBondContact O-N 3.44Å; S399-I402 PolarHBondContact O-N 3.02Å; I402-G406 WeakPolarHBondContact O-CA 3.39Å; I402-G406 PolarHBondContact O-N 3.23Å; I402-L407 HydrophobicContact CD1-CD2 4.17Å; I402-L407 HydrophobicContact CG2-CD2 4.47Å; I402-V487 HydrophobicContact CD1-CG1 3.98Å
403E90.5Very high90.7Very high130 Ų13039.2 Ų39.261%0.60720%0.202SC*.Hα-helixtrans-63.4-42.4175.4-171.3155.4-134.800113K18 S399 R400K18-E403 IonicContact NZ-OE1 2.66Å; K18-E403 PolarHBondContact NZ-OE1 3.23Å; K18-E403 IonicContact NZ-OE2 3.67Å; S399-E403 WeakPolarHBondContact O-CB 3.15Å; S399-E403 PolarHBondContact O-N 3.2Å; R400-E403 PolarHBondContact O-N 2.74Å
404A88.9Confident90.7Very high52 Ų5239.1 Ų39.143%0.4320%0.202SC..Hα-helixtrans-81.1-38.6-17200000114.2R400 H452R400-A404 WeakPolarHBondContact O-CB 3.43Å; R400-A404 PolarHBondContact O-N 2.83Å; A404-H452 VanDerWaalsContact CB-CE1 3.44Å; A404-H452 WeakPolarHBondContact CB-CE1 3.37Å; A404-H452 VanDerWaalsContact CB-NE2 3.27Å; A404-H452 WeakPolarHBondContact CB-NE2 3.32Å
405F87.1Confident90.6Very high64 Ų6439.3 Ų39.328%0.28120%0.203SC..Hα-helixtrans-124.62-175.4-46.1-94.6000114.4R401 V410 H451 H452 I453R401-F405 PolarHBondContact O-N 3.15Å; F405-V410 HydrophobicContact CB-CG1 3.88Å; F405-V410 HydrophobicContact CB-CG2 4.31Å; F405-V410 HydrophobicContact CD1-CB 4.28Å; F405-V410 HydrophobicContact CD1-CG1 3.91Å; F405-V410 HydrophobicContact CD1-CG2 3.87Å; F405-V410 HydrophobicContact CD2-CG2 4.32Å; F405-V410 HydrophobicContact CE1-CG2 4.11Å; F405-V410 HydrophobicContact CG-CG1 4.17Å; F405-V410 HydrophobicContact CG-CG2 3.95Å; F405-V410 HydrophobicContact CZ-CG2 4.4Å; F405-H451 HydrophobicContact CZ-CB 3.95Å; F405-H452 AromaticContact CE2-CE1 3.1Å; F405-H452 WeakPolarHBondContact CE2-CE1 3.16Å; F405-H452 AromaticContact CE2-ND1 3.72Å; F405-H452 AromaticContact CE2-NE2 3.84Å; F405-H452 AromaticContact CZ-CE1 3.12Å; F405-H452 WeakPolarHBondContact CZ-CE1 3.29Å; F405-H452 AromaticContact CZ-ND1 3.34Å; F405-H452 VanDerWaalsContact CZ-ND1 3.34Å; F405-H452 WeakPolarHBondContact CZ-ND1 3.45Å; F405-I453 HydrophobicContact CE2-CG1 4.06Å
406G88.1Confident90.2Very high28 Ų2842.7 Ų42.729%0.28922%0.22SC..THydrogen-bonded Turntrans64.4-152.1-179.300000113.7R401 I402 K408R401-G406 PolarHBondContact NH1-O 3.24Å; I402-G406 WeakPolarHBondContact O-CA 3.39Å; I402-G406 PolarHBondContact O-N 3.23Å; G406-K408 VanDerWaalsContact C-N 3.34Å; G406-K408 PolarHBondContact O-N 3.35Å
407L87.1Confident89.8Confident62 Ų6246.8 Ų46.833%0.32523%0.232SC..THydrogen-bonded Turntrans-92.922.7-173.2-53.5175.2000113.8V20 T279 I402 I434 I488V20-L407 HydrophobicContact CG1-CD1 3.73Å; V20-L407 HydrophobicContact CG1-CD2 4.38Å; T279-L407 HydrophobicContact CG2-CD1 4.45Å; I402-L407 HydrophobicContact CD1-CD2 4.17Å; I402-L407 HydrophobicContact CG2-CD2 4.47Å; L407-I434 WeakPolarHBondContact O-CB 3.49Å; L407-I488 HydrophobicContact CD2-CD1 3.64Å
408K88.3Confident89.3Confident164 Ų16450.4 Ų50.471%0.71327%0.269SS*.SBendtrans-107.8151.5177.6-63-175.4-178-178.70110.5R401 G406R401-K408 PolarHBondContact NH2-O 3.46Å; G406-K408 VanDerWaalsContact C-N 3.34Å; G406-K408 PolarHBondContact O-N 3.35Å
409A88.6Confident88.5Confident19 Ų1956.9 Ų56.916%0.15731%0.309CS..  trans-72.7137.7167.600000109.9A429 H432 I437A409-A429 WeakPolarHBondContact CB-O 3.4Å; A409-H432 HydrophobicContact CB-CB 4.48Å; A409-I437 VanDerWaalsContact CA-CD1 3.42Å; A409-I437 HydrophobicContact CB-CD1 3.56Å; A409-I437 HydrophobicContact CB-CG1 4.36Å
410V89.4Confident88.1Confident32 Ų3260.4 Ų60.419%0.19433%0.33CS..  trans-129160.3178.6-60.40000111.1F405 G412 D413F405-V410 HydrophobicContact CB-CG1 3.88Å; F405-V410 HydrophobicContact CB-CG2 4.31Å; F405-V410 HydrophobicContact CD1-CB 4.28Å; F405-V410 HydrophobicContact CD1-CG1 3.91Å; F405-V410 HydrophobicContact CD1-CG2 3.87Å; F405-V410 HydrophobicContact CD2-CG2 4.32Å; F405-V410 HydrophobicContact CE1-CG2 4.11Å; F405-V410 HydrophobicContact CG-CG1 4.17Å; F405-V410 HydrophobicContact CG-CG2 3.95Å; F405-V410 HydrophobicContact CZ-CG2 4.4Å; V410-G412 PolarHBondContact O-N 3.11Å; V410-D413 VanDerWaalsContact CG2-OD2 3.28Å; V410-D413 WeakPolarHBondContact CG2-OD2 3.31Å; V410-D413 PolarHBondContact N-OD2 3.43Å; V410-D413 WeakPolarHBondContact O-CB 3.31Å; V410-D413 PolarHBondContact O-N 3.02Å
411E89.3Confident87.9Confident127 Ų12756.3 Ų56.359%0.59332%0.317SS*.THydrogen-bonded Turntrans-54.7133.4170.8-175.8178.7-172.900110.5A426E411-A426 HydrophobicContact CB-CB 4.32Å; E411-A426 HydrophobicContact CG-CB 4.43Å
412G87.1Confident87.7Confident0 Ų059.5 Ų59.50%033%0.332CS..THydrogen-bonded Turntrans91.6-8.6-179.200000115.7V410 L424 P449 S450 H451V410-G412 PolarHBondContact O-N 3.11Å; G412-L424 PolarHBondContact N-O 2.62Å; G412-P449 VanDerWaalsContact O-CA 3.3Å; G412-P449 WeakPolarHBondContact O-CA 3.35Å; G412-P449 WeakPolarHBondContact O-CB 3.44Å; G412-S450 WeakPolarHBondContact CA-OG 3.31Å; G412-S450 PolarHBondContact O-N 2.86Å; G412-H451 VanDerWaalsContact C-CD2 3.47Å
413D91.5Very high87.7Confident0 Ų061.5 Ų61.50%034%0.344CS..  trans-65.2159.1169.4-83.3-40.6000111.1R401 V410 V423 L424 I437 H451R401-D413 IonicContact CZ-OD1 2.76Å; R401-D413 IonicContact CZ-OD2 3.74Å; R401-D413 IonicContact NE-OD1 2.69Å; R401-D413 PolarHBondContact NE-OD1 2.96Å; R401-D413 IonicContact NE-OD2 3.19Å; R401-D413 IonicContact NH2-OD1 3.66Å; R401-D413 PolarHBondContact NH2-OD1 2.65Å; R401-D413 IonicContact NH2-OD2 3.07Å; R401-D413 PolarHBondContact NH2-OD2 2.83Å; V410-D413 VanDerWaalsContact CG2-OD2 3.28Å; V410-D413 WeakPolarHBondContact CG2-OD2 3.31Å; V410-D413 PolarHBondContact N-OD2 3.43Å; V410-D413 WeakPolarHBondContact O-CB 3.31Å; V410-D413 PolarHBondContact O-N 3.02Å; D413-V423 CarbonylContact O-C 3.58Å; D413-V423 WeakPolarHBondContact O-CA 3.16Å; D413-L424 HydrophobicContact CB-CD1 4.09Å; D413-L424 PolarHBondContact O-N 3.44Å; D413-I437 HydrophobicContact CB-CD1 4.23Å; D413-I437 HydrophobicContact CB-CG2 4.01Å; D413-I437 VanDerWaalsContact OD2-CD1 3.31Å; D413-I437 WeakPolarHBondContact OD2-CD1 3.32Å; D413-H451 IonicContact OD1-NE2 3.51Å; D413-H451 PolarHBondContact OD1-NE2 3.18Å
414L91.9Very high87.6Confident0 Ų055.5 Ų55.50%032%0.316CS..EExtended strand (participates in β ladder)trans-104.4140178.9-58.8171000111.5H422 V423 I437 V438 P440 I447 P449 Y484L414-H422 CarbonylContact C-O 3.56Å; L414-H422 VanDerWaalsContact CA-O 3.31Å; L414-H422 WeakPolarHBondContact CA-O 3.35Å; L414-V423 HydrophobicContact CD2-CB 4.29Å; L414-V423 HydrophobicContact CD2-CG2 3.56Å; L414-I437 WeakPolarHBondContact O-CA 3.15Å; L414-V438 HydrophobicContact CB-CG2 3.83Å; L414-V438 WeakPolarHBondContact CB-O 3.33Å; L414-V438 WeakPolarHBondContact O-CG2 3.41Å; L414-V438 PolarHBondContact O-N 2.95Å; L414-P440 HydrophobicContact CD1-CG 4.27Å; L414-I447 VanDerWaalsContact CD1-O 3.25Å; L414-I447 WeakPolarHBondContact CD1-O 3.25Å; L414-I447 HydrophobicContact CD2-CG2 4.38Å; L414-P449 HydrophobicContact CD1-CG 4.02Å; L414-P449 HydrophobicContact CG-CG 4.19Å; L414-Y484 HydrophobicContact CD1-CE1 4.23Å
415V91.6Very high87.6Confident4 Ų456.2 Ų56.22%0.02432%0.315CS..EExtended strand (participates in β ladder)trans-126.7153.4171.1-66.40000111A421 H422 L424 D436V415-A421 WeakPolarHBondContact O-CA 3.2Å; V415-H422 HydrophobicContact CG2-CB 4.41Å; V415-H422 PolarHBondContact N-O 3.12Å; V415-H422 PolarHBondContact O-N 3.3Å; V415-L424 HydrophobicContact CB-CD2 4.38Å; V415-L424 HydrophobicContact CG1-CD1 3.65Å; V415-L424 HydrophobicContact CG1-CD2 3.84Å; V415-L424 HydrophobicContact CG1-CG 3.81Å; V415-L424 HydrophobicContact CG2-CD2 3.61Å; V415-L424 HydrophobicContact CG2-CG 4.08Å; V415-D436 HydrophobicContact CG1-CB 4.33Å
416L87.9Confident87.6Confident70 Ų7055.5 Ų55.537%0.36632%0.322SS..EExtended strand (participates in β ladder)trans-96.4116.5174.8-73.2174.9000110.9A421 V438 Y484L416-A421 HydrophobicContact CD2-CB 4.18Å; L416-V438 HydrophobicContact CD1-CG1 3.85Å; L416-V438 HydrophobicContact CG-CG1 3.89Å; L416-V438 HydrophobicContact CG-CG2 4.02Å; L416-Y484 HydrophobicContact CD2-CD2 3.88Å; L416-Y484 HydrophobicContact CD2-CG 4.01Å
417R83.4Confident87.4Confident118 Ų11862.3 Ų62.345%0.44535%0.346SS..EExtended strand (participates in β ladder)trans-100.394.5167.3-63.6-174.1-179.5176.45.4108.5T419 T420 E428R417-T419 PolarHBondContact O-N 3.14Å; R417-T419 VanDerWaalsContact O-N 3.12Å; R417-T420 PolarHBondContact N-O 3.49Å; R417-T420 PolarHBondContact O-N 2.87Å; R417-T420 PolarHBondContact O-OG1 2.75Å; R417-E428 IonicContact CZ-OE1 2.7Å; R417-E428 IonicContact NH1-OE1 3.43Å; R417-E428 IonicContact NH2-OE1 3.57Å; R417-E428 PolarHBondContact NH2-OE1 3.23Å; R417-E428 IonicContact NH2-OE2 3.64Å; R417-E428 PolarHBondContact NH2-OE2 3.49Å
418G81.8Confident87.3Confident75 Ų7562 Ų6277%0.77334%0.343SS*.THydrogen-bonded Turntrans69.4-105.6-171.200000111.1
419T77.2Confident86.9Confident136 Ų13654.6 Ų54.683%0.83431%0.312SS*.THydrogen-bonded Turntrans-110.7-7.8179.852.90000113.9R417R417-T419 PolarHBondContact O-N 3.14Å; R417-T419 VanDerWaalsContact O-N 3.12Å
420T84.4Confident86.7Confident76 Ų7662.3 Ų62.347%0.46635%0.345SS..EExtended strand (participates in β ladder)trans-101138-17951.10000111.2R417 H422R417-T420 PolarHBondContact N-O 3.49Å; R417-T420 PolarHBondContact O-N 2.87Å; R417-T420 PolarHBondContact O-OG1 2.75Å; T420-H422 PolarHBondContact O-CD2 2.94Å; T420-H422 PolarHBondContact OG1-NE2 2.81Å
421A88.3Confident86.5Confident8 Ų865.2 Ų65.27%0.06637%0.367CS..EExtended strand (participates in β ladder)trans-86.6138.8173.500000110.3V415 L416 I447 Y484V415-A421 WeakPolarHBondContact O-CA 3.2Å; L416-A421 HydrophobicContact CD2-CB 4.18Å; A421-I447 HydrophobicContact CB-CD1 4.48Å; A421-I447 WeakPolarHBondContact O-CD1 3.46Å; A421-Y484 HydrophobicContact CB-CD1 3.93Å; A421-Y484 HydrophobicContact CB-CD2 4.08Å; A421-Y484 HydrophobicContact CB-CE1 3.43Å; A421-Y484 VanDerWaalsContact CB-CE1 3.43Å; A421-Y484 HydrophobicContact CB-CE2 3.59Å; A421-Y484 HydrophobicContact CB-CG 4.23Å
422H88.7Confident86.3Confident70 Ų7061.7 Ų61.732%0.32435%0.35SS..EExtended strand (participates in β ladder)trans-129.3141.5178.3-65.2-87.5000109.7L414 V415 T420L414-H422 CarbonylContact C-O 3.56Å; L414-H422 VanDerWaalsContact CA-O 3.31Å; L414-H422 WeakPolarHBondContact CA-O 3.35Å; V415-H422 HydrophobicContact CG2-CB 4.41Å; V415-H422 PolarHBondContact N-O 3.12Å; V415-H422 PolarHBondContact O-N 3.3Å; T420-H422 PolarHBondContact O-CD2 2.94Å; T420-H422 PolarHBondContact OG1-NE2 2.81Å
423V90.6Very high86.3Confident57 Ų5764.2 Ų64.235%0.34537%0.368SS..EExtended strand (participates in β ladder)trans-81.7129.4172.9-175.80000108.2D413 L414 I447D413-V423 CarbonylContact O-C 3.58Å; D413-V423 WeakPolarHBondContact O-CA 3.16Å; L414-V423 HydrophobicContact CD2-CB 4.29Å; L414-V423 HydrophobicContact CD2-CG2 3.56Å; V423-I447 HydrophobicContact CG2-CG2 4.22Å
424L88.8Confident86Confident3 Ų364.8 Ų64.82%0.01637%0.371CS..PPolyproline II helixtrans-74.1136.1178-71177.8000111.3G412 D413 V415 E428 H432G412-L424 PolarHBondContact N-O 2.62Å; D413-L424 HydrophobicContact CB-CD1 4.09Å; D413-L424 PolarHBondContact O-N 3.44Å; V415-L424 HydrophobicContact CB-CD2 4.38Å; V415-L424 HydrophobicContact CG1-CD1 3.65Å; V415-L424 HydrophobicContact CG1-CD2 3.84Å; V415-L424 HydrophobicContact CG1-CG 3.81Å; V415-L424 HydrophobicContact CG2-CD2 3.61Å; V415-L424 HydrophobicContact CG2-CG 4.08Å; L424-E428 HydrophobicContact CD2-CB 3.84Å; L424-H432 HydrophobicContact CD1-CB 4.37Å
425T88.7Confident85.9Confident67 Ų6766.7 Ų66.741%0.41138%0.38SS..PPolyproline II helixtrans-82.5166.9164.162.90000110.5E427 E428 A429T425-E427 VanDerWaalsContact C-N 3.3Å; T425-E427 PolarHBondContact O-N 3.21Å; T425-E428 PolarHBondContact O-N 3.49Å; T425-E428 WeakPolarHBondContact OG1-CG 3.45Å; T425-E428 PolarHBondContact OG1-N 3.36Å; T425-A429 WeakPolarHBondContact O-CB 3.28Å; T425-A429 PolarHBondContact O-N 3.34Å
426A86Confident85.7Confident50 Ų5069.8 Ų69.841%0.41340%0.396SS..Hα-helixtrans-56.1-42178.100000113E411 A429E411-A426 HydrophobicContact CB-CB 4.32Å; E411-A426 HydrophobicContact CG-CB 4.43Å; A426-A429 PolarHBondContact O-N 3.3Å
427E84.6Confident85.9Confident170 Ų17066.5 Ų66.579%0.79438%0.379SS*.Hα-helixtrans-66.9-42178.6-62.5177.1-177.600112.1T425 A429T425-E427 VanDerWaalsContact C-N 3.3Å; T425-E427 PolarHBondContact O-N 3.21Å; E427-A429 VanDerWaalsContact C-N 3.31Å; E427-A429 PolarHBondContact O-N 3.01Å
428E84.3Confident86.4Confident56 Ų5660.9 Ų60.926%0.26236%0.358SS..Hα-helixtrans-69.5-32.2179-68.7-174.216000111.7R417 L424 T425 E430 S431 H432R417-E428 IonicContact CZ-OE1 2.7Å; R417-E428 IonicContact NH1-OE1 3.43Å; R417-E428 IonicContact NH2-OE1 3.57Å; R417-E428 PolarHBondContact NH2-OE1 3.23Å; R417-E428 IonicContact NH2-OE2 3.64Å; R417-E428 PolarHBondContact NH2-OE2 3.49Å; L424-E428 HydrophobicContact CD2-CB 3.84Å; T425-E428 PolarHBondContact O-N 3.49Å; T425-E428 WeakPolarHBondContact OG1-CG 3.45Å; T425-E428 PolarHBondContact OG1-N 3.36Å; E428-E430 VanDerWaalsContact C-N 3.28Å; E428-E430 PolarHBondContact O-N 2.92Å; E428-S431 PolarHBondContact O-N 3.12Å; E428-S431 VanDerWaalsContact O-N 3.13Å; E428-S431 PolarHBondContact O-OG 3.05Å; E428-H432 PolarHBondContact O-N 2.99Å; E428-H432 PolarHBondContact O-ND1 3.37Å
429A80.9Confident86.9Confident9 Ų957.3 Ų57.37%0.07432%0.321CS..Hα-helixtrans-61.1-33.5-179.700000113A409 T425 A426 E427 S431 H432A409-A429 WeakPolarHBondContact CB-O 3.4Å; T425-A429 WeakPolarHBondContact O-CB 3.28Å; T425-A429 PolarHBondContact O-N 3.34Å; A426-A429 PolarHBondContact O-N 3.3Å; E427-A429 VanDerWaalsContact C-N 3.31Å; E427-A429 PolarHBondContact O-N 3.01Å; A429-S431 VanDerWaalsContact C-N 3.28Å; A429-S431 PolarHBondContact O-N 3.09Å; A429-H432 PolarHBondContact O-N 2.88Å
430E83.6Confident87.7Confident181 Ų18150.9 Ų50.985%0.84628%0.281SS*.Hα-helixtrans-67.7-29.3177.3-65.4-174176.300113E428E428-E430 VanDerWaalsContact C-N 3.28Å; E428-E430 PolarHBondContact O-N 2.92Å
431S85.1Confident88.1Confident93 Ų9348 Ų4865%0.6526%0.263SS*.Hα-helixtrans-85.3-16.7-178.968.80000114E428 A429E428-S431 PolarHBondContact O-N 3.12Å; E428-S431 VanDerWaalsContact O-N 3.13Å; E428-S431 PolarHBondContact O-OG 3.05Å; A429-S431 VanDerWaalsContact C-N 3.28Å; A429-S431 PolarHBondContact O-N 3.09Å
432H85.7Confident88.2Confident52 Ų5247.7 Ų47.724%0.24126%0.26CS..  trans-98.6148.1-175-74.278.8000112.5A409 L424 E428 A429A409-H432 HydrophobicContact CB-CB 4.48Å; L424-H432 HydrophobicContact CD1-CB 4.37Å; E428-H432 PolarHBondContact O-N 2.99Å; E428-H432 PolarHBondContact O-ND1 3.37Å; A429-H432 PolarHBondContact O-N 2.88Å
433S86.4Confident88.2Confident54 Ų5444.4 Ų44.438%0.37825%0.246SC..  trans-91.6157.2172.4-166.20000110.9H435 D436S433-H435 PolarHBondContact O-N 3.42Å; S433-H435 PolarHBondContact OG-ND1 2.88Å; S433-D436 PolarHBondContact N-OD2 3.39Å; S433-D436 PolarHBondContact O-N 3.03Å
434I86.8Confident88Confident11 Ų1146.1 Ų46.16%0.05625%0.247CC..THydrogen-bonded Turntrans-55.9-21.7170.8-167.857000113.4L407 D436 I437 I488L407-I434 WeakPolarHBondContact O-CB 3.49Å; I434-D436 VanDerWaalsContact C-N 3.29Å; I434-D436 PolarHBondContact O-N 3.35Å; I434-I437 HydrophobicContact CD1-CB 4.44Å; I434-I437 HydrophobicContact CD1-CD1 3.51Å; I434-I437 HydrophobicContact CD1-CG1 4.27Å; I434-I437 PolarHBondContact O-N 3.32Å; I434-I488 HydrophobicContact CB-CD1 4.33Å; I434-I488 HydrophobicContact CD1-CD1 4.5Å; I434-I488 HydrophobicContact CG1-CD1 3.4Å; I434-I488 HydrophobicContact CG1-CG1 3.95Å; I434-I488 HydrophobicContact CG2-CD1 3.94Å
435H88.6Confident87.9Confident41 Ų4151.8 Ų51.819%0.1928%0.277CS..THydrogen-bonded Turntrans-70.7-22.8177.7-57.389.9000113.6T279 S433T279-H435 PolarHBondContact O-NE2 3.3Å; S433-H435 PolarHBondContact O-N 3.42Å; S433-H435 PolarHBondContact OG-ND1 2.88Å
436D88.3Confident88Confident69 Ų6949.5 Ų49.537%0.36926%0.263SS..THydrogen-bonded Turntrans-88.5-16.3-179.8-57.6-47.5000112V415 S433 I434V415-D436 HydrophobicContact CG1-CB 4.33Å; S433-D436 PolarHBondContact N-OD2 3.39Å; S433-D436 PolarHBondContact O-N 3.03Å; I434-D436 VanDerWaalsContact C-N 3.29Å; I434-D436 PolarHBondContact O-N 3.35Å
437I91.4Very high88.1Confident1 Ų151 Ų511%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-72.3131.4-176-53.9-175000110.8A409 D413 L414 I434 R486 V487A409-I437 VanDerWaalsContact CA-CD1 3.42Å; A409-I437 HydrophobicContact CB-CD1 3.56Å; A409-I437 HydrophobicContact CB-CG1 4.36Å; D413-I437 HydrophobicContact CB-CD1 4.23Å; D413-I437 HydrophobicContact CB-CG2 4.01Å; D413-I437 VanDerWaalsContact OD2-CD1 3.31Å; D413-I437 WeakPolarHBondContact OD2-CD1 3.32Å; L414-I437 WeakPolarHBondContact O-CA 3.15Å; I434-I437 HydrophobicContact CD1-CB 4.44Å; I434-I437 HydrophobicContact CD1-CD1 3.51Å; I434-I437 HydrophobicContact CD1-CG1 4.27Å; I434-I437 PolarHBondContact O-N 3.32Å; I437-R486 WeakPolarHBondContact O-CA 3.18Å; I437-V487 HydrophobicContact CG2-CG2 4.13Å; I437-V487 PolarHBondContact O-N 3.03Å
438V93.8Very high88.4Confident0 Ų044.7 Ų44.70%023%0.232CC..EExtended strand (participates in β ladder)trans-118.3150.7175.8-60.80000111.5L414 L416 Y484 R485 R486L414-V438 HydrophobicContact CB-CG2 3.83Å; L414-V438 WeakPolarHBondContact CB-O 3.33Å; L414-V438 WeakPolarHBondContact O-CG2 3.41Å; L414-V438 PolarHBondContact O-N 2.95Å; L416-V438 HydrophobicContact CD1-CG1 3.85Å; L416-V438 HydrophobicContact CG-CG1 3.89Å; L416-V438 HydrophobicContact CG-CG2 4.02Å; V438-Y484 HydrophobicContact CG2-CD1 4.17Å; V438-Y484 HydrophobicContact CG2-CG 4.4Å; V438-R485 CarbonylContact C-O 3.6Å; V438-R485 VanDerWaalsContact CA-O 3.29Å; V438-R485 WeakPolarHBondContact CA-O 3.28Å; V438-R486 HydrophobicContact CG1-CG 3.87Å
439M93.8Very high88.7Confident0 Ų042.2 Ų42.20%022%0.221CC..EExtended strand (participates in β ladder)trans-121.6140.8172.7-75.3-70.2-75.800109.6W394 M397 V398 P449 I453 Y457 R485 V487W394-M439 HydrophobicContact CZ2-CB 4.33Å; W394-M439 PolarHBondContact NE1-O 3.26Å; M397-M439 HydrophobicContact CB-CE 4.12Å; V398-M439 HydrophobicContact CG2-CB 4.19Å; V398-M439 HydrophobicContact CG2-CG 4.14Å; M439-P449 HydrophobicContact CE-CG 4.37Å; M439-P449 HydrophobicContact SD-CG 3.75Å; M439-I453 HydrophobicContact CE-CG2 3.61Å; M439-Y457 HydrophobicContact CE-CE2 3.65Å; M439-R485 PolarHBondContact N-O 2.74Å; M439-R485 PolarHBondContact O-N 2.96Å; M439-V487 HydrophobicContact CB-CG2 4.14Å; M439-V487 HydrophobicContact CG-CG2 3.43Å; M439-V487 VanDerWaalsContact CG-CG2 3.43Å
440P93.6Very high89Confident0 Ų046.1 Ų46.10%025%0.248CC..EExtended strand (participates in β ladder)trans-80.8139.9-175.732.8-33.4000111.3L414 V446 Y448 Y457 A483 Y484L414-P440 HydrophobicContact CD1-CG 4.27Å; P440-V446 HydrophobicContact CB-CB 4.07Å; P440-V446 HydrophobicContact CB-CG1 4.46Å; P440-V446 HydrophobicContact CB-CG2 4.22Å; P440-Y448 HydrophobicContact CG-CD1 3.78Å; P440-Y448 HydrophobicContact CG-CE1 4.08Å; P440-Y448 HydrophobicContact CG-CG 4.45Å; P440-Y457 HydrophobicContact CG-CE2 4.5Å; P440-Y457 PolarHBondContact O-OH 2.98Å; P440-A483 CarbonylContact C-O 3.56Å; P440-A483 WeakPolarHBondContact CA-O 3.44Å; P440-Y484 HydrophobicContact CB-CD1 4.16Å; P440-Y484 HydrophobicContact CB-CE1 4.1Å
441L92.4Very high89.2Confident17 Ų1738.7 Ų38.79%0.08921%0.213CC..EExtended strand (participates in β ladder)trans-76.2130.5157.8-68.8165.3000107.7Y285 Q390 W394 G443 G482 A483Y285-L441 HydrophobicContact CE2-CD2 4Å; Q390-L441 HydrophobicContact CB-CB 4.45Å; Q390-L441 HydrophobicContact CB-CD2 3.95Å; W394-L441 HydrophobicContact CB-CD2 3.73Å; W394-L441 HydrophobicContact CG-CD2 3.93Å; L441-G443 PolarHBondContact O-N 3.49Å; L441-G482 WeakPolarHBondContact O-CA 3.22Å; L441-A483 HydrophobicContact CD1-CB 4.21Å; L441-A483 PolarHBondContact N-O 2.86Å
442P90Very high89.3Confident0 Ų038.6 Ų38.60%020%0.202CC..SBendtrans-64132.8-17025.6-34.3000111.5Q390 V393 Y448 L461 M471Q390-P442 HydrophobicContact CB-CG 4.37Å; Q390-P442 HydrophobicContact CG-CG 4.16Å; Q390-P442 PolarHBondContact NE2-O 2.84Å; V393-P442 HydrophobicContact CB-CG 4.21Å; V393-P442 HydrophobicContact CG1-CG 4.1Å; P442-Y448 VanDerWaalsContact CA-OH 3.25Å; P442-Y448 WeakPolarHBondContact CA-OH 3.4Å; P442-Y448 WeakPolarHBondContact CB-OH 3.35Å; P442-L461 HydrophobicContact CB-CD1 4.14Å; P442-M471 HydrophobicContact CB-CE 4.26Å
443G88.6Confident89.4Confident2 Ų236.2 Ų36.22%0.02119%0.191CC..SBendtrans-173176-17500000112.3L441 V446 Y448 L480 A481L441-G443 PolarHBondContact O-N 3.49Å; G443-V446 WeakPolarHBondContact O-CG2 3.14Å; G443-Y448 PolarHBondContact N-OH 2.87Å; G443-L480 CarbonylContact C-O 3.43Å; G443-L480 WeakPolarHBondContact CA-O 3.38Å; G443-A481 CarbonylContact C-O 3.6Å
444Y86.2Confident89.4Confident93 Ų9334.3 Ų34.337%0.36518%0.18SC..THydrogen-bonded Turntrans-83.2-10.4-175.966.5-105.7000114.5R472 L480 A481Y444-R472 HydrophobicContact CD1-CG 4.06Å; Y444-R472 HydrophobicContact CG-CG 4.13Å; Y444-L480 VanDerWaalsContact CD1-C 3.45Å; Y444-L480 WeakPolarHBondContact CD1-O 3.47Å; Y444-L480 WeakPolarHBondContact CE1-O 3.4Å; Y444-L480 PolarHBondContact N-O 2.85Å; Y444-A481 HydrophobicContact CE1-CB 4.23Å; Y444-A481 HydrophobicContact CE2-CB 4.29Å; Y444-A481 PolarHBondContact N-O 3.17Å
445D87.1Confident89.5Confident121 Ų12140.7 Ų40.765%0.64721%0.209SC*.THydrogen-bonded Turntrans-125.635.8-173.1-161.229.6000111.1A481D445-A481 CarbonylContact C-O 3.58Å; D445-A481 WeakPolarHBondContact CA-O 3.46Å; D445-A481 HydrophobicContact CB-CB 4.27Å; D445-A481 WeakPolarHBondContact CB-O 3.25Å; D445-A481 PolarHBondContact N-O 3.5Å
446V89.9Confident89.4Confident20 Ų2039 Ų3912%0.12120%0.203CC..  trans-128.6148.4178.4-68.30000111.7P440 G443 Y448 Y484P440-V446 HydrophobicContact CB-CB 4.07Å; P440-V446 HydrophobicContact CB-CG1 4.46Å; P440-V446 HydrophobicContact CB-CG2 4.22Å; G443-V446 WeakPolarHBondContact O-CG2 3.14Å; V446-Y448 HydrophobicContact CG2-CE2 3.85Å; V446-Y484 WeakPolarHBondContact CA-OH 3.35Å; V446-Y484 HydrophobicContact CB-CE1 4.33Å; V446-Y484 HydrophobicContact CG1-CE1 4.41Å; V446-Y484 HydrophobicContact CG1-CE2 4.42Å
447I89.9Confident89.5Confident80 Ų8035.8 Ų35.841%0.4119%0.186SC..PPolyproline II helixtrans-93.6139.6172.6-47.7169.8000107.2L414 A421 V423 Y484L414-I447 VanDerWaalsContact CD1-O 3.25Å; L414-I447 WeakPolarHBondContact CD1-O 3.25Å; L414-I447 HydrophobicContact CD2-CG2 4.38Å; A421-I447 HydrophobicContact CB-CD1 4.48Å; A421-I447 WeakPolarHBondContact O-CD1 3.46Å; V423-I447 HydrophobicContact CG2-CG2 4.22Å; I447-Y484 PolarHBondContact N-OH 2.82Å
448Y90Very high89.4Confident39 Ų3940.6 Ų40.615%0.15320%0.204CC..PPolyproline II helixtrans-100.3151.3176.1-67.9-90.1000110.6P440 P442 G443 V446 Y457 L468P440-Y448 HydrophobicContact CG-CD1 3.78Å; P440-Y448 HydrophobicContact CG-CE1 4.08Å; P440-Y448 HydrophobicContact CG-CG 4.45Å; P442-Y448 VanDerWaalsContact CA-OH 3.25Å; P442-Y448 WeakPolarHBondContact CA-OH 3.4Å; P442-Y448 WeakPolarHBondContact CB-OH 3.35Å; G443-Y448 PolarHBondContact N-OH 2.87Å; V446-Y448 HydrophobicContact CG2-CE2 3.85Å; Y448-Y457 HydrophobicContact CD1-CD1 4.16Å; Y448-Y457 AromaticContact CD1-CD2 3.99Å; Y448-Y457 HydrophobicContact CD1-CD2 3.99Å; Y448-Y457 HydrophobicContact CD1-CE2 4.4Å; Y448-Y457 AromaticContact CD1-CG 3.86Å; Y448-Y457 HydrophobicContact CD1-CG 3.86Å; Y448-Y457 AromaticContact CE1-CD1 3.7Å; Y448-Y457 HydrophobicContact CE1-CD1 3.7Å; Y448-Y457 HydrophobicContact CE1-CD2 4.37Å; Y448-Y457 HydrophobicContact CE1-CE1 4.09Å; Y448-Y457 AromaticContact CE1-CG 3.84Å; Y448-Y457 HydrophobicContact CE1-CG 3.84Å; Y448-L468 HydrophobicContact CD1-CD1 4.28Å; Y448-L468 HydrophobicContact CD2-CD1 4.46Å; Y448-L468 HydrophobicContact CD2-CD2 4.24Å; Y448-L468 HydrophobicContact CE1-CD1 3.61Å; Y448-L468 HydrophobicContact CE2-CD1 3.84Å; Y448-L468 HydrophobicContact CE2-CD2 4.17Å; Y448-L468 HydrophobicContact CE2-CG 3.97Å; Y448-L468 WeakPolarHBondContact OH-CD1 3.49Å
449P89.8Confident89.3Confident4 Ų446.1 Ų46.13%0.02623%0.23CC..PPolyproline II helixtrans-59.5143.8174.2-20.131.6000111.5G412 L414 M439 H451 G454G412-P449 VanDerWaalsContact O-CA 3.3Å; G412-P449 WeakPolarHBondContact O-CA 3.35Å; G412-P449 WeakPolarHBondContact O-CB 3.44Å; L414-P449 HydrophobicContact CD1-CG 4.02Å; L414-P449 HydrophobicContact CG-CG 4.19Å; M439-P449 HydrophobicContact CE-CG 4.37Å; M439-P449 HydrophobicContact SD-CG 3.75Å; P449-H451 VanDerWaalsContact C-N 3.35Å; P449-H451 WeakPolarHBondContact CB-CE1 3.5Å; P449-H451 WeakPolarHBondContact CB-NE2 3.25Å; P449-H451 PolarHBondContact O-N 2.81Å; P449-G454 WeakPolarHBondContact O-CA 3.42Å
450S88.6Confident89Confident91 Ų9147.5 Ų47.564%0.63624%0.237SC*.SBendtrans-80.7-12.9-174.756.70000114.4G412G412-S450 WeakPolarHBondContact CA-OG 3.31Å; G412-S450 PolarHBondContact O-N 2.86Å
451H86.6Confident88.8Confident24 Ų2447.5 Ų47.511%0.11124%0.237CC..SBendtrans-80.4177177.151.351.7000112.7F405 G412 D413 P449 I453 G454F405-H451 HydrophobicContact CZ-CB 3.95Å; G412-H451 VanDerWaalsContact C-CD2 3.47Å; D413-H451 IonicContact OD1-NE2 3.51Å; D413-H451 PolarHBondContact OD1-NE2 3.18Å; P449-H451 VanDerWaalsContact C-N 3.35Å; P449-H451 WeakPolarHBondContact CB-CE1 3.5Å; P449-H451 WeakPolarHBondContact CB-NE2 3.25Å; P449-H451 PolarHBondContact O-N 2.81Å; H451-I453 VanDerWaalsContact CE1-CB 3.45Å; H451-I453 WeakPolarHBondContact CE1-CB 3.47Å; H451-I453 VanDerWaalsContact CE1-CG1 3.48Å; H451-I453 WeakPolarHBondContact CE1-CG1 3.32Å; H451-I453 WeakPolarHBondContact ND1-CB 3.25Å; H451-I453 WeakPolarHBondContact ND1-CG1 3.5Å; H451-I453 PolarHBondContact ND1-N 2.99Å; H451-I453 PolarHBondContact O-N 3.49Å; H451-G454 PolarHBondContact O-N 2.81Å
452H87.4Confident88.6Confident92 Ų9250 Ų5043%0.42626%0.256SS..Hα-helixtrans-51.5-23-176.270.2-94.8000115.4A404 F405 G454 E455 G456A404-H452 VanDerWaalsContact CB-CE1 3.44Å; A404-H452 WeakPolarHBondContact CB-CE1 3.37Å; A404-H452 VanDerWaalsContact CB-NE2 3.27Å; A404-H452 WeakPolarHBondContact CB-NE2 3.32Å; F405-H452 AromaticContact CE2-CE1 3.1Å; F405-H452 WeakPolarHBondContact CE2-CE1 3.16Å; F405-H452 AromaticContact CE2-ND1 3.72Å; F405-H452 AromaticContact CE2-NE2 3.84Å; F405-H452 AromaticContact CZ-CE1 3.12Å; F405-H452 WeakPolarHBondContact CZ-CE1 3.29Å; F405-H452 AromaticContact CZ-ND1 3.34Å; F405-H452 VanDerWaalsContact CZ-ND1 3.34Å; F405-H452 WeakPolarHBondContact CZ-ND1 3.45Å; H452-G454 VanDerWaalsContact C-N 3.27Å; H452-G454 PolarHBondContact O-N 3.21Å; H452-E455 WeakPolarHBondContact O-CB 3.42Å; H452-E455 PolarHBondContact O-N 2.85Å; H452-G456 PolarHBondContact O-N 3.41Å
453I88.4Confident88.5Confident2 Ų253.9 Ų53.91%0.0129%0.288CS..Hα-helixtrans-62.5-33.1173-50.9-64.8000112.2M397 R400 R401 F405 M439 H451 E455 G456 Y457M397-I453 HydrophobicContact CB-CG2 4.42Å; R400-I453 HydrophobicContact CB-CD1 4.06Å; R401-I453 HydrophobicContact CB-CD1 4.11Å; R401-I453 HydrophobicContact CB-CG1 4.17Å; F405-I453 HydrophobicContact CE2-CG1 4.06Å; M439-I453 HydrophobicContact CE-CG2 3.61Å; H451-I453 VanDerWaalsContact CE1-CB 3.45Å; H451-I453 WeakPolarHBondContact CE1-CB 3.47Å; H451-I453 VanDerWaalsContact CE1-CG1 3.48Å; H451-I453 WeakPolarHBondContact CE1-CG1 3.32Å; H451-I453 WeakPolarHBondContact ND1-CB 3.25Å; H451-I453 WeakPolarHBondContact ND1-CG1 3.5Å; H451-I453 PolarHBondContact ND1-N 2.99Å; H451-I453 PolarHBondContact O-N 3.49Å; I453-E455 VanDerWaalsContact C-N 3.32Å; I453-E455 PolarHBondContact O-N 2.88Å; I453-G456 CarbonylContact O-C 3.59Å; I453-G456 WeakPolarHBondContact O-CA 3.49Å; I453-G456 PolarHBondContact O-N 3.25Å; I453-G456 VanDerWaalsContact O-N 3.09Å; I453-Y457 HydrophobicContact CG2-CD2 4.29Å; I453-Y457 HydrophobicContact CG2-CE2 4.15Å; I453-Y457 WeakPolarHBondContact O-CD2 3.34Å; I453-Y457 PolarHBondContact O-N 3.2Å
454G86.4Confident88.4Confident13 Ų1354.9 Ų54.913%0.13429%0.293CS..Hα-helixtrans-60.9-41.4174.100000111.9P449 H451 H452 G456 Y457 R458P449-G454 WeakPolarHBondContact O-CA 3.42Å; H451-G454 PolarHBondContact O-N 2.81Å; H452-G454 VanDerWaalsContact C-N 3.27Å; H452-G454 PolarHBondContact O-N 3.21Å; G454-G456 VanDerWaalsContact C-N 3.33Å; G454-Y457 WeakPolarHBondContact O-CB 3.05Å; G454-Y457 PolarHBondContact O-N 3.02Å; G454-R458 PolarHBondContact O-N 3.02Å
455E88Confident88.3Confident146 Ų14653.3 Ų53.368%0.68231%0.305SS*.Hα-helixtrans-65.3-37.7171.4-60.5179.4168.500111.4H452 I453 Y457 R458 E459H452-E455 WeakPolarHBondContact O-CB 3.42Å; H452-E455 PolarHBondContact O-N 2.85Å; I453-E455 VanDerWaalsContact C-N 3.32Å; I453-E455 PolarHBondContact O-N 2.88Å; E455-Y457 VanDerWaalsContact C-N 3.29Å; E455-Y457 PolarHBondContact O-N 2.83Å; E455-R458 WeakPolarHBondContact O-CA 3.38Å; E455-R458 WeakPolarHBondContact O-CB 3.3Å; E455-R458 PolarHBondContact O-N 3.26Å; E455-E459 PolarHBondContact O-N 2.9Å
456G88.2Confident88.2Confident6 Ų648.5 Ų48.56%0.06228%0.279CS..Hα-helixtrans-58.5-35.6173.600000114M397 H452 I453 G454 L460M397-G456 VanDerWaalsContact SD-C 3.57Å; H452-G456 PolarHBondContact O-N 3.41Å; I453-G456 CarbonylContact O-C 3.59Å; I453-G456 WeakPolarHBondContact O-CA 3.49Å; I453-G456 PolarHBondContact O-N 3.25Å; I453-G456 VanDerWaalsContact O-N 3.09Å; G454-G456 VanDerWaalsContact C-N 3.33Å; G456-L460 WeakPolarHBondContact O-CB 3.38Å; G456-L460 PolarHBondContact O-N 3.44Å
457Y89.7Confident87.7Confident0 Ų051.5 Ų51.50%029%0.294CS..Hα-helixtrans-64.5-43.5171.7-87.9-89.2000111.6V393 M397 M439 P440 Y448 I453 G454 E455 L460 L461V393-Y457 HydrophobicContact CG1-CD1 3.87Å; V393-Y457 HydrophobicContact CG1-CE1 3.88Å; M397-Y457 HydrophobicContact CB-CD2 4.29Å; M397-Y457 HydrophobicContact CB-CE1 4.26Å; M397-Y457 HydrophobicContact CB-CE2 3.61Å; M397-Y457 HydrophobicContact CG-CD1 3.88Å; M397-Y457 HydrophobicContact CG-CD2 3.76Å; M397-Y457 HydrophobicContact CG-CE1 3.69Å; M397-Y457 HydrophobicContact CG-CE2 3.52Å; M397-Y457 HydrophobicContact CG-CG 3.93Å; M397-Y457 VanDerWaalsContact CG-CZ 3.5Å; M397-Y457 HydrophobicContact SD-CD2 3.93Å; M397-Y457 HydrophobicContact SD-CE2 4.24Å; M397-Y457 HydrophobicContact SD-CG 4.1Å; M439-Y457 HydrophobicContact CE-CE2 3.65Å; P440-Y457 HydrophobicContact CG-CE2 4.5Å; P440-Y457 PolarHBondContact O-OH 2.98Å; Y448-Y457 HydrophobicContact CD1-CD1 4.16Å; Y448-Y457 AromaticContact CD1-CD2 3.99Å; Y448-Y457 HydrophobicContact CD1-CD2 3.99Å; Y448-Y457 HydrophobicContact CD1-CE2 4.4Å; Y448-Y457 AromaticContact CD1-CG 3.86Å; Y448-Y457 HydrophobicContact CD1-CG 3.86Å; Y448-Y457 AromaticContact CE1-CD1 3.7Å; Y448-Y457 HydrophobicContact CE1-CD1 3.7Å; Y448-Y457 HydrophobicContact CE1-CD2 4.37Å; Y448-Y457 HydrophobicContact CE1-CE1 4.09Å; Y448-Y457 AromaticContact CE1-CG 3.84Å; Y448-Y457 HydrophobicContact CE1-CG 3.84Å; I453-Y457 HydrophobicContact CG2-CD2 4.29Å; I453-Y457 HydrophobicContact CG2-CE2 4.15Å; I453-Y457 WeakPolarHBondContact O-CD2 3.34Å; I453-Y457 PolarHBondContact O-N 3.2Å; G454-Y457 WeakPolarHBondContact O-CB 3.05Å; G454-Y457 PolarHBondContact O-N 3.02Å; E455-Y457 VanDerWaalsContact C-N 3.29Å; E455-Y457 PolarHBondContact O-N 2.83Å; Y457-L460 PolarHBondContact O-N 3.46Å; Y457-L461 WeakPolarHBondContact O-CB 3.24Å; Y457-L461 WeakPolarHBondContact O-CG 3.46Å; Y457-L461 PolarHBondContact O-N 3Å
458R89.7Confident87.1Confident103 Ų10348.4 Ų48.439%0.38928%0.279SS..Hα-helixtrans-63.3-44.6178.5-174.5178.2-66.2-80.1-2.7111G454 E455 S462 D469G454-R458 PolarHBondContact O-N 3.02Å; E455-R458 WeakPolarHBondContact O-CA 3.38Å; E455-R458 WeakPolarHBondContact O-CB 3.3Å; E455-R458 PolarHBondContact O-N 3.26Å; R458-S462 WeakPolarHBondContact O-CB 3.41Å; R458-S462 PolarHBondContact O-N 2.95Å; R458-S462 PolarHBondContact O-OG 2.85Å; R458-D469 IonicContact CZ-OD1 3.03Å; R458-D469 IonicContact CZ-OD2 3.05Å; R458-D469 IonicContact NH1-OD1 3.51Å; R458-D469 IonicContact NH1-OD2 3.83Å; R458-D469 PolarHBondContact NH1-OD2 3.15Å; R458-D469 IonicContact NH2-OD1 2.65Å; R458-D469 PolarHBondContact NH2-OD1 3.25Å; R458-D469 IonicContact NH2-OD2 2.73Å; R458-D469 PolarHBondContact NH2-OD2 3.18Å
459E90.4Very high86.3Confident116 Ų11652 Ų5254%0.54230%0.3SS..Hα-helixtrans-58.4-51.4176.2-174.3-164-165.100111.4R400 E455 S462 A463R400-E459 IonicContact CZ-OE2 3.18Å; R400-E459 IonicContact NH1-OE2 3.92Å; R400-E459 PolarHBondContact NH1-OE2 2.81Å; R400-E459 IonicContact NH2-OE2 3.6Å; E455-E459 PolarHBondContact O-N 2.9Å; E459-S462 PolarHBondContact O-N 3.01Å; E459-A463 WeakPolarHBondContact O-CB 3.42Å; E459-A463 PolarHBondContact O-N 3.19Å
460L89Confident85.7Confident29 Ų2956.5 Ų56.515%0.15233%0.325CS..Hα-helixtrans-65.3-45.7-176.1-167.5157.5000111.8V393 T396 M397 G456 Y457 A463 D464V393-L460 HydrophobicContact CB-CD2 4.38Å; V393-L460 HydrophobicContact CG1-CD2 4.12Å; V393-L460 HydrophobicContact CG2-CD2 3.74Å; T396-L460 HydrophobicContact CG2-CD1 3.83Å; M397-L460 HydrophobicContact CE-CB 4.35Å; M397-L460 HydrophobicContact CE-CD1 3.5Å; G456-L460 WeakPolarHBondContact O-CB 3.38Å; G456-L460 PolarHBondContact O-N 3.44Å; Y457-L460 PolarHBondContact O-N 3.46Å; L460-A463 PolarHBondContact O-N 3.5Å; L460-D464 PolarHBondContact O-N 3.05Å
461L88.6Confident85.2Confident0 Ų052.9 Ų52.90%030%0.298CS..Hα-helixtrans-66.5-39.1177.8-68.5177.5000111.8Y389 V393 P442 Y457 D464 G465 L466 L468 M471Y389-L461 HydrophobicContact CE1-CD2 4.03Å; V393-L461 HydrophobicContact CG2-CD2 4.3Å; P442-L461 HydrophobicContact CB-CD1 4.14Å; Y457-L461 WeakPolarHBondContact O-CB 3.24Å; Y457-L461 WeakPolarHBondContact O-CG 3.46Å; Y457-L461 PolarHBondContact O-N 3Å; L461-D464 CarbonylContact O-C 3.54Å; L461-D464 VanDerWaalsContact O-CA 3.29Å; L461-D464 WeakPolarHBondContact O-CA 3.28Å; L461-D464 WeakPolarHBondContact O-CB 3.48Å; L461-D464 PolarHBondContact O-N 3.11Å; L461-G465 PolarHBondContact O-N 2.9Å; L461-L466 CarbonylContact C-O 3.58Å; L461-L466 HydrophobicContact CB-CB 4.25Å; L461-L466 HydrophobicContact CD2-CB 4.47Å; L461-L466 HydrophobicContact CD2-CD1 4.24Å; L461-L466 PolarHBondContact O-N 3.48Å; L461-L466 VanDerWaalsContact O-O 3.07Å; L461-L468 HydrophobicContact CD1-CB 4.16Å; L461-L468 HydrophobicContact CD1-CD1 3.38Å; L461-L468 HydrophobicContact CD1-CG 4.33Å; L461-M471 HydrophobicContact CD1-SD 4.19Å
462S88.9Confident84.9Confident69 Ų6959.3 Ų59.348%0.48332%0.321SS..Hα-helixtrans-65.9-40.4177.2-59.50000111.9R458 E459 D464 G465 L466R458-S462 WeakPolarHBondContact O-CB 3.41Å; R458-S462 PolarHBondContact O-N 2.95Å; R458-S462 PolarHBondContact O-OG 2.85Å; E459-S462 PolarHBondContact O-N 3.01Å; S462-D464 PolarHBondContact O-N 2.73Å; S462-G465 PolarHBondContact O-N 3.35Å; S462-L466 PolarHBondContact N-O 2.67Å
463A88.1Confident84.6Confident82 Ų8255.8 Ų55.868%0.67831%0.305SS*.Hα-helixtrans-60-31.8171.200000111.4E459 L460 G465E459-A463 WeakPolarHBondContact O-CB 3.42Å; E459-A463 PolarHBondContact O-N 3.19Å; L460-A463 PolarHBondContact O-N 3.5Å; A463-G465 VanDerWaalsContact C-N 3.3Å
464D85.6Confident84.2Confident22 Ų2264.7 Ų64.712%0.11834%0.343CS..THydrogen-bonded Turntrans-85.59.1172.1-83.8-31.4000114.4R302 R306 Y389 L460 L461 S462 L466R302-D464 VanDerWaalsContact CD-CG 3.49Å; R302-D464 WeakPolarHBondContact CD-OD1 3.15Å; R302-D464 IonicContact CZ-OD1 2.66Å; R302-D464 IonicContact NE-OD1 2.65Å; R302-D464 IonicContact NH1-OD1 3.77Å; R302-D464 PolarHBondContact NH1-OD1 3.09Å; R306-D464 PolarHBondContact NE-O 2.86Å; R306-D464 PolarHBondContact NH2-O 3.35Å; R306-D464 IonicContact NH2-OD1 2.75Å; R306-D464 PolarHBondContact NH2-OD1 2.91Å; Y389-D464 VanDerWaalsContact CE2-OD2 3.26Å; Y389-D464 WeakPolarHBondContact CE2-OD2 3.25Å; Y389-D464 VanDerWaalsContact OH-CB 3.24Å; Y389-D464 WeakPolarHBondContact OH-CB 3.46Å; Y389-D464 PolarHBondContact OH-OD2 3.34Å; L460-D464 PolarHBondContact O-N 3.05Å; L461-D464 CarbonylContact O-C 3.54Å; L461-D464 VanDerWaalsContact O-CA 3.29Å; L461-D464 WeakPolarHBondContact O-CA 3.28Å; L461-D464 WeakPolarHBondContact O-CB 3.48Å; L461-D464 PolarHBondContact O-N 3.11Å; S462-D464 PolarHBondContact O-N 2.73Å; D464-L466 PolarHBondContact O-N 2.98Å
465G83.1Confident83.9Confident61 Ų6166.2 Ų66.263%0.62935%0.35SS*.THydrogen-bonded Turntrans65.124.3178.100000114L461 S462 A463L461-G465 PolarHBondContact O-N 2.9Å; S462-G465 PolarHBondContact O-N 3.35Å; A463-G465 VanDerWaalsContact C-N 3.3Å
466L85.1Confident83.6Confident19 Ų1968.2 Ų68.210%0.09936%0.356CS..  trans-112.2140.9176.3-61.5176.5000109.6L305 R306 Y389 L461 S462 D464L305-L466 HydrophobicContact CB-CD1 4.03Å; L305-L466 HydrophobicContact CB-CD2 3.71Å; L305-L466 HydrophobicContact CD1-CD1 3.87Å; R306-L466 HydrophobicContact CG-CD2 4.35Å; Y389-L466 HydrophobicContact CE1-CD1 3.54Å; L461-L466 CarbonylContact C-O 3.58Å; L461-L466 HydrophobicContact CB-CB 4.25Å; L461-L466 HydrophobicContact CD2-CB 4.47Å; L461-L466 HydrophobicContact CD2-CD1 4.24Å; L461-L466 PolarHBondContact O-N 3.48Å; L461-L466 VanDerWaalsContact O-O 3.07Å; S462-L466 PolarHBondContact N-O 2.67Å; D464-L466 PolarHBondContact O-N 2.98Å
467D80.9Confident83.3Confident83 Ų8370.5 Ų70.544%0.44437%0.367SS..  trans-96.1121.4177.2-175.95.4000110.2D469 N470 M471D467-D469 VanDerWaalsContact C-N 3.28Å; D467-D469 PolarHBondContact O-N 3.11Å; D467-D469 PolarHBondContact OD1-N 3.4Å; D467-N470 CarbonylContact O-C 3.25Å; D467-N470 PolarHBondContact O-N 2.85Å; D467-M471 WeakPolarHBondContact O-CG 3.41Å; D467-M471 PolarHBondContact O-N 3.35Å; D467-M471 VanDerWaalsContact O-SD 3.42Å
468L77Confident83Confident16 Ų1670.6 Ų70.68%0.08437%0.368CS..SBendtrans-60.4-39177.2-172.495.3000111.2Y448 L461 N470Y448-L468 HydrophobicContact CD1-CD1 4.28Å; Y448-L468 HydrophobicContact CD2-CD1 4.46Å; Y448-L468 HydrophobicContact CD2-CD2 4.24Å; Y448-L468 HydrophobicContact CE1-CD1 3.61Å; Y448-L468 HydrophobicContact CE2-CD1 3.84Å; Y448-L468 HydrophobicContact CE2-CD2 4.17Å; Y448-L468 HydrophobicContact CE2-CG 3.97Å; Y448-L468 WeakPolarHBondContact OH-CD1 3.49Å; L461-L468 HydrophobicContact CD1-CB 4.16Å; L461-L468 HydrophobicContact CD1-CD1 3.38Å; L461-L468 HydrophobicContact CD1-CG 4.33Å; L468-N470 VanDerWaalsContact C-N 3.26Å; L468-N470 PolarHBondContact O-N 3.34Å
469D73.5Confident82.8Confident113 Ų11367.2 Ų67.260%0.60436%0.36SS*.THydrogen-bonded Turntrans-78-16.9-173.7-57.1-37.5000111.5R458 D467R458-D469 IonicContact CZ-OD1 3.03Å; R458-D469 IonicContact CZ-OD2 3.05Å; R458-D469 IonicContact NH1-OD1 3.51Å; R458-D469 IonicContact NH1-OD2 3.83Å; R458-D469 PolarHBondContact NH1-OD2 3.15Å; R458-D469 IonicContact NH2-OD1 2.65Å; R458-D469 PolarHBondContact NH2-OD1 3.25Å; R458-D469 IonicContact NH2-OD2 2.73Å; R458-D469 PolarHBondContact NH2-OD2 3.18Å; D467-D469 VanDerWaalsContact C-N 3.28Å; D467-D469 PolarHBondContact O-N 3.11Å; D467-D469 PolarHBondContact OD1-N 3.4Å
470N77Confident82.5Confident100 Ų10062.1 Ų62.154%0.53534%0.336SS..THydrogen-bonded Turntrans-135.364.6177.4-167.814.8000113D467 L468 R472D467-N470 CarbonylContact O-C 3.25Å; D467-N470 PolarHBondContact O-N 2.85Å; L468-N470 VanDerWaalsContact C-N 3.26Å; L468-N470 PolarHBondContact O-N 3.34Å; N470-R472 PolarHBondContact O-N 2.68Å
471M78.1Confident82.3Confident15 Ų1562.4 Ų62.47%0.07434%0.343CS..  trans-72.614.5173.6-69.7-68.6-69.400114P442 L461 D467 H473P442-M471 HydrophobicContact CB-CE 4.26Å; L461-M471 HydrophobicContact CD1-SD 4.19Å; D467-M471 WeakPolarHBondContact O-CG 3.41Å; D467-M471 PolarHBondContact O-N 3.35Å; D467-M471 VanDerWaalsContact O-SD 3.42Å; M471-H473 PolarHBondContact O-N 3.27Å
472R80.4Confident82.2Confident158 Ų15863.6 Ų63.660%0.59636%0.355SS*.  trans-83.4114.9176.4-69.1-177.3179.8-96.9-2.1110.4Y444 N470Y444-R472 HydrophobicContact CD1-CG 4.06Å; Y444-R472 HydrophobicContact CG-CG 4.13Å; N470-R472 PolarHBondContact O-N 2.68Å
473H81.8Confident82.4Confident18 Ų1862.6 Ų62.68%0.08335%0.351CS..  trans-77.8145.9175.4-163.3-92.8000112.7I304 N307 M471 V475 Y478 S479I304-H473 PolarHBondContact O-NE2 2.65Å; I304-H473 VanDerWaalsContact O-NE2 3.13Å; N307-H473 VanDerWaalsContact CG-NE2 3.26Å; N307-H473 PolarHBondContact ND2-NE2 3.11Å; N307-H473 PolarHBondContact OD1-CE1 2.93Å; N307-H473 PolarHBondContact OD1-NE2 3.45Å; M471-H473 PolarHBondContact O-N 3.27Å; H473-V475 PolarHBondContact ND1-N 3.43Å; H473-V475 PolarHBondContact ND1-O 2.7Å; H473-V475 PolarHBondContact O-N 2.88Å; H473-Y478 AromaticContact CE1-CD2 3.82Å; H473-Y478 AromaticContact ND1-CD2 3.71Å; H473-S479 PolarHBondContact O-OG 3.01Å
474K79.6Confident82.6Confident190 Ų19061.4 Ų61.483%0.82633%0.329SS*.SBendtrans-56.1-37.3176.8-69.2-178.8179.4177.50112.7
475V80.3Confident82.9Confident44 Ų4461.2 Ų61.227%0.26733%0.327SS..SBendtrans-92.1115.6172.1-178.20000109V371 H473 D477 Y478V371-V475 HydrophobicContact CG1-CG2 4.07Å; H473-V475 PolarHBondContact ND1-N 3.43Å; H473-V475 PolarHBondContact ND1-O 2.7Å; H473-V475 PolarHBondContact O-N 2.88Å; V475-D477 HydrophobicContact CG1-CB 4.21Å; V475-D477 PolarHBondContact O-N 3.46Å; V475-D477 VanDerWaalsContact O-N 3.08Å; V475-Y478 HydrophobicContact CB-CD2 3.69Å; V475-Y478 HydrophobicContact CB-CE2 3.9Å; V475-Y478 HydrophobicContact CG1-CD2 3.8Å; V475-Y478 HydrophobicContact CG1-CE2 3.63Å; V475-Y478 HydrophobicContact CG2-CD2 4.46Å; V475-Y478 HydrophobicContact CG2-CE2 4.42Å; V475-Y478 PolarHBondContact O-N 2.81Å
476K80.7Confident83.4Confident189 Ų18964.5 Ų64.582%0.82232%0.32SS*.G310 helixtrans-52.2-32.4-176.5-172178.4-179178.10114.3Y478 S479K476-Y478 PolarHBondContact O-N 2.71Å; K476-S479 PolarHBondContact O-N 3.23Å
477D81.9Confident83.8Confident53 Ų5363.7 Ų63.728%0.28332%0.316SS..G310 helixtrans-61.9-25.2178.5-89.3-11.4000113.4R379 R382 L383 V475R379-D477 IonicContact NE-OD1 3.8Å; R382-D477 IonicContact CZ-OD2 2.87Å; R382-D477 VanDerWaalsContact CZ-OD2 3.32Å; R382-D477 IonicContact NH1-OD2 3.02Å; R382-D477 PolarHBondContact NH1-OD2 3.01Å; R382-D477 IonicContact NH2-OD2 3.81Å; R382-D477 PolarHBondContact NH2-OD2 3.39Å; L383-D477 WeakPolarHBondContact CD2-O 3.26Å; V475-D477 HydrophobicContact CG1-CB 4.21Å; V475-D477 PolarHBondContact O-N 3.46Å; V475-D477 VanDerWaalsContact O-N 3.08Å
478Y84.5Confident84.4Confident3 Ų359.8 Ų59.81%0.01230%0.295CS..G310 helixtrans-107.85.2-177.8-46.7-58.5000113.1I304 W309 F374 R382 V386 H473 V475 K476 L480I304-Y478 HydrophobicContact CG2-CD1 3.88Å; I304-Y478 HydrophobicContact CG2-CD2 3.95Å; I304-Y478 HydrophobicContact CG2-CE1 4.18Å; I304-Y478 HydrophobicContact CG2-CE2 4.34Å; I304-Y478 HydrophobicContact CG2-CG 3.75Å; W309-Y478 HydrophobicContact CH2-CD2 4.19Å; W309-Y478 AromaticContact CH2-CE2 3.47Å; W309-Y478 HydrophobicContact CH2-CE2 3.47Å; W309-Y478 VanDerWaalsContact CH2-CE2 3.47Å; W309-Y478 AromaticContact CH2-CZ 3.92Å; W309-Y478 HydrophobicContact CZ2-CD2 4.47Å; W309-Y478 HydrophobicContact CZ2-CE2 4.02Å; F374-Y478 VanDerWaalsContact CD1-OH 3.24Å; F374-Y478 WeakPolarHBondContact CD1-OH 3.43Å; F374-Y478 HydrophobicContact CE1-CE1 4.38Å; F374-Y478 WeakPolarHBondContact CE1-OH 3.49Å; R382-Y478 HydrophobicContact CB-CE1 4.15Å; R382-Y478 PolarHBondContact NH1-OH 2.79Å; V386-Y478 HydrophobicContact CG2-CD1 4Å; H473-Y478 AromaticContact CE1-CD2 3.82Å; H473-Y478 AromaticContact ND1-CD2 3.71Å; V475-Y478 HydrophobicContact CB-CD2 3.69Å; V475-Y478 HydrophobicContact CB-CE2 3.9Å; V475-Y478 HydrophobicContact CG1-CD2 3.8Å; V475-Y478 HydrophobicContact CG1-CE2 3.63Å; V475-Y478 HydrophobicContact CG2-CD2 4.46Å; V475-Y478 HydrophobicContact CG2-CE2 4.42Å; V475-Y478 PolarHBondContact O-N 2.81Å; K476-Y478 PolarHBondContact O-N 2.71Å; Y478-L480 PolarHBondContact O-N 2.85Å
479S84.3Confident85.2Confident32 Ų3259.5 Ų59.522%0.22429%0.294CS..  trans-72121.2172.2-49.70000109H473 K476H473-S479 PolarHBondContact O-OG 3.01Å; K476-S479 PolarHBondContact O-N 3.23Å
480L83.9Confident86.2Confident8 Ų860.6 Ų60.64%0.04229%0.289CS..  trans-101116.1-175-61171.5000110.2L305 V386 Q390 G443 Y444 Y478 G482L305-L480 HydrophobicContact CD1-CD1 4.44Å; L305-L480 HydrophobicContact CD2-CD1 4.22Å; V386-L480 HydrophobicContact CB-CD2 4.41Å; V386-L480 HydrophobicContact CG1-CD1 3.36Å; V386-L480 HydrophobicContact CG1-CD2 3.6Å; V386-L480 HydrophobicContact CG1-CG 3.77Å; Q390-L480 HydrophobicContact CG-CD1 3.67Å; G443-L480 CarbonylContact C-O 3.43Å; G443-L480 WeakPolarHBondContact CA-O 3.38Å; Y444-L480 VanDerWaalsContact CD1-C 3.45Å; Y444-L480 WeakPolarHBondContact CD1-O 3.47Å; Y444-L480 WeakPolarHBondContact CE1-O 3.4Å; Y444-L480 PolarHBondContact N-O 2.85Å; Y478-L480 PolarHBondContact O-N 2.85Å; L480-G482 PolarHBondContact O-N 3.06Å
481A85.6Confident87Confident36 Ų3656 Ų5630%0.29827%0.265SS..  trans-63.5-34.417200000111.4G443 Y444 D445G443-A481 CarbonylContact C-O 3.6Å; Y444-A481 HydrophobicContact CE1-CB 4.23Å; Y444-A481 HydrophobicContact CE2-CB 4.29Å; Y444-A481 PolarHBondContact N-O 3.17Å; D445-A481 CarbonylContact C-O 3.58Å; D445-A481 WeakPolarHBondContact CA-O 3.46Å; D445-A481 HydrophobicContact CB-CB 4.27Å; D445-A481 WeakPolarHBondContact CB-O 3.25Å; D445-A481 PolarHBondContact N-O 3.5Å
482G87.1Confident87.7Confident25 Ų2559.1 Ų59.126%0.25829%0.285SS..  trans88.5172.3-168.600000110.9L441 L480L441-G482 WeakPolarHBondContact O-CA 3.22Å; L480-G482 PolarHBondContact O-N 3.06Å
483A91.1Very high88.3Confident47 Ų4756.8 Ų56.839%0.38828%0.284SS..EExtended strand (participates in β ladder)trans-162.7164.7176.900000109.6P440 L441P440-A483 CarbonylContact C-O 3.56Å; P440-A483 WeakPolarHBondContact CA-O 3.44Å; L441-A483 HydrophobicContact CD1-CB 4.21Å; L441-A483 PolarHBondContact N-O 2.86Å
484Y92.6Very high88.8Confident58 Ų5856.4 Ų56.423%0.22728%0.283CS..EExtended strand (participates in β ladder)trans-101.2142.8178.3-57.5-78.7000111.1L414 L416 A421 V438 P440 V446 I447L414-Y484 HydrophobicContact CD1-CE1 4.23Å; L416-Y484 HydrophobicContact CD2-CD2 3.88Å; L416-Y484 HydrophobicContact CD2-CG 4.01Å; A421-Y484 HydrophobicContact CB-CD1 3.93Å; A421-Y484 HydrophobicContact CB-CD2 4.08Å; A421-Y484 HydrophobicContact CB-CE1 3.43Å; A421-Y484 VanDerWaalsContact CB-CE1 3.43Å; A421-Y484 HydrophobicContact CB-CE2 3.59Å; A421-Y484 HydrophobicContact CB-CG 4.23Å; V438-Y484 HydrophobicContact CG2-CD1 4.17Å; V438-Y484 HydrophobicContact CG2-CG 4.4Å; P440-Y484 HydrophobicContact CB-CD1 4.16Å; P440-Y484 HydrophobicContact CB-CE1 4.1Å; V446-Y484 WeakPolarHBondContact CA-OH 3.35Å; V446-Y484 HydrophobicContact CB-CE1 4.33Å; V446-Y484 HydrophobicContact CG1-CE1 4.41Å; V446-Y484 HydrophobicContact CG1-CE2 4.42Å; I447-Y484 PolarHBondContact N-OH 2.82Å
485R93.6Very high89.5Confident18 Ų1849.8 Ų49.87%0.06826%0.261CS..EExtended strand (participates in β ladder)trans-136.9132.8179178.3179.4-177.280.4-4.7110.2N283 W394 V438 M439 S542N283-R485 VanDerWaalsContact ND2-CZ 3.34Å; N283-R485 PolarHBondContact ND2-NE 3.19Å; N283-R485 PolarHBondContact ND2-NH2 3.41Å; N283-R485 PolarHBondContact O-NE 3.4Å; N283-R485 PolarHBondContact O-NH2 3.33Å; N283-R485 PolarHBondContact OD1-NH2 2.96Å; W394-R485 HydrophobicContact CH2-CG 3.99Å; W394-R485 HydrophobicContact CZ2-CB 3.82Å; W394-R485 VanDerWaalsContact CZ2-CD 3.47Å; W394-R485 HydrophobicContact CZ2-CG 3.49Å; W394-R485 VanDerWaalsContact CZ2-CG 3.49Å; V438-R485 CarbonylContact C-O 3.6Å; V438-R485 VanDerWaalsContact CA-O 3.29Å; V438-R485 WeakPolarHBondContact CA-O 3.28Å; M439-R485 PolarHBondContact N-O 2.74Å; M439-R485 PolarHBondContact O-N 2.96Å; R485-S542 VanDerWaalsContact CZ-O 3.24Å; R485-S542 PolarHBondContact NH1-O 2.98Å; R485-S542 PolarHBondContact NH2-O 3.06Å
486R93.1Very high90.2Very high130 Ų13051 Ų5149%0.49126%0.261SS..EExtended strand (participates in β ladder)trans-62.3138.7175.7-67.9-177.8-178.4-173-2.4111.7N283 I437 V438 I489N283-R486 VanDerWaalsContact CB-O 3.25Å; N283-R486 WeakPolarHBondContact CB-O 3.47Å; N283-R486 PolarHBondContact ND2-O 3.06Å; I437-R486 WeakPolarHBondContact O-CA 3.18Å; V438-R486 HydrophobicContact CG1-CG 3.87Å; R486-I489 HydrophobicContact CB-CD1 3.96Å
487V92.6Very high90.7Very high1 Ų145.2 Ų45.21%0.00624%0.237CC..SBendtrans-75-47.7-178.1-179.80000111.3N283 V398 I402 I437 M439N283-V487 WeakPolarHBondContact CB-O 3.49Å; N283-V487 PolarHBondContact N-O 3.38Å; V398-V487 HydrophobicContact CG1-CG1 3.88Å; I402-V487 HydrophobicContact CD1-CG1 3.98Å; I437-V487 HydrophobicContact CG2-CG2 4.13Å; I437-V487 PolarHBondContact O-N 3.03Å; M439-V487 HydrophobicContact CB-CG2 4.14Å; M439-V487 HydrophobicContact CG-CG2 3.43Å; M439-V487 VanDerWaalsContact CG-CG2 3.43Å
488I93.7Very high91Very high1 Ų144.5 Ų44.51%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-114.5139.3178.8-61.1-168.6000109.6T279 F281 L407 I434T279-I488 VanDerWaalsContact O-CG2 3.31Å; T279-I488 WeakPolarHBondContact O-CG2 3.2Å; F281-I488 WeakPolarHBondContact O-CA 3.46Å; L407-I488 HydrophobicContact CD2-CD1 3.64Å; I434-I488 HydrophobicContact CB-CD1 4.33Å; I434-I488 HydrophobicContact CD1-CD1 4.5Å; I434-I488 HydrophobicContact CG1-CD1 3.4Å; I434-I488 HydrophobicContact CG1-CG1 3.95Å; I434-I488 HydrophobicContact CG2-CD1 3.94Å
489I94.3Very high91.2Very high11 Ų1144.6 Ų44.66%0.05624%0.235CC..EExtended strand (participates in β ladder)trans-119127.4171.9-66.4-64.5000108.9G280 F281 N283 R486 L539 P540 T543G280-I489 VanDerWaalsContact CA-O 3.28Å; G280-I489 WeakPolarHBondContact CA-O 3.36Å; F281-I489 WeakPolarHBondContact CD1-O 3.48Å; F281-I489 HydrophobicContact CE1-CB 4.12Å; F281-I489 HydrophobicContact CE1-CG2 4.04Å; F281-I489 HydrophobicContact CZ-CB 4.17Å; F281-I489 HydrophobicContact CZ-CG2 4.24Å; F281-I489 PolarHBondContact N-O 2.84Å; F281-I489 PolarHBondContact O-N 3.48Å; N283-I489 HydrophobicContact CB-CG1 3.78Å; N283-I489 VanDerWaalsContact CG-CG1 3.44Å; N283-I489 WeakPolarHBondContact ND2-CG1 3.48Å; R486-I489 HydrophobicContact CB-CD1 3.96Å; I489-L539 HydrophobicContact CG2-CD2 4.42Å; I489-P540 HydrophobicContact CD1-CG 4.05Å; I489-P540 HydrophobicContact CG2-CG 3.89Å; I489-T543 HydrophobicContact CB-CG2 4.46Å; I489-T543 HydrophobicContact CG1-CG2 4.38Å; I489-T543 HydrophobicContact CG2-CG2 4.19Å
490R94.1Very high91.3Very high135 Ų13545.3 Ų45.351%0.50923%0.234SC..PPolyproline II helixtrans-93.4116.1168.9-174.6174.9-179.3-175.51.4109.2K277 Q278K277-R490 PolarHBondContact O-NE 3.15Å; K277-R490 PolarHBondContact O-NH2 3.3Å; K277-R490 VanDerWaalsContact O-NH2 3.15Å; Q278-R490 PolarHBondContact O-NE 3.03Å
491P93.9Very high91.3Very high4 Ų445.4 Ų45.43%0.02623%0.234CC..PPolyproline II helixtrans-64.9149.6172.8-12.825.3000111.4L276 F281 V494 F537 S538 L539L276-P491 HydrophobicContact CD1-CG 4.08Å; L276-P491 HydrophobicContact CG-CG 4.1Å; F281-P491 HydrophobicContact CD1-CG 4.09Å; F281-P491 HydrophobicContact CE1-CG 3.92Å; P491-V494 HydrophobicContact CB-CG2 3.74Å; P491-V494 HydrophobicContact CG-CG2 4.43Å; P491-F537 HydrophobicContact CB-CB 4.03Å; P491-S538 WeakPolarHBondContact CA-O 3.4Å; P491-L539 HydrophobicContact CB-CD2 3.81Å; P491-L539 HydrophobicContact CG-CD2 3.93Å
492T93Very high91.1Very high81 Ų8146.8 Ų46.850%0.49724%0.236SC..EExtended strand (participates in β ladder)trans-101.9165.4169.764.60000110.5V494 S538T492-V494 PolarHBondContact O-N 3.5Å; T492-S538 PolarHBondContact N-O 2.85Å; T492-S538 VanDerWaalsContact N-O 3.11Å; T492-S538 PolarHBondContact O-N 3.19Å; T492-S538 VanDerWaalsContact OG1-CB 3.28Å; T492-S538 WeakPolarHBondContact OG1-CB 3.36Å
493D91.8Very high90.8Very high108 Ų10847.7 Ų47.758%0.57824%0.236SC*.EExtended strand (participates in β ladder)trans55.936.4174.8-43.4-51.6000114.1S495 S538D493-S495 PolarHBondContact O-N 3.47Å; D493-S538 PolarHBondContact OD2-OG 2.83Å
494V93.9Very high90Very high10 Ų1047 Ų476%0.06123%0.227CC..EExtended strand (participates in β ladder)trans-73.8115.9-177.6-172.90000110.7M273 K277 P491 T492 W496 E536 F537M273-V494 HydrophobicContact CE-CG1 3.9Å; K277-V494 HydrophobicContact CB-CB 4.21Å; K277-V494 HydrophobicContact CB-CG1 4.27Å; K277-V494 HydrophobicContact CB-CG2 4.47Å; K277-V494 HydrophobicContact CD-CB 4.23Å; K277-V494 HydrophobicContact CG-CB 4.13Å; K277-V494 HydrophobicContact CG-CG2 4.5Å; P491-V494 HydrophobicContact CB-CG2 3.74Å; P491-V494 HydrophobicContact CG-CG2 4.43Å; T492-V494 PolarHBondContact O-N 3.5Å; V494-W496 HydrophobicContact CG1-CE3 4.23Å; V494-W496 HydrophobicContact CG1-CZ3 4.41Å; V494-E536 VanDerWaalsContact CA-O 3.28Å; V494-E536 WeakPolarHBondContact CA-O 3.49Å; V494-F537 HydrophobicContact CG2-CB 4.04Å
495S94.5Very high89.3Confident52 Ų5253.2 Ų53.236%0.36425%0.25SC..EExtended strand (participates in β ladder)trans-130152.9170.484.80000110D493 M535 E536D493-S495 PolarHBondContact O-N 3.47Å; S495-M535 WeakPolarHBondContact O-CA 3.21Å; S495-E536 PolarHBondContact N-O 3.17Å; S495-E536 PolarHBondContact O-N 2.81Å; S495-E536 WeakPolarHBondContact OG-CB 3.47Å; S495-E536 PolarHBondContact OG-OE2 3.47Å
496W93.7Very high88.6Confident70 Ų7056.6 Ų56.627%0.26527%0.268SS..EExtended strand (participates in β ladder)trans-151.9153.2176.767.796.8000111.9H270 M273 K277 V494 L533 R534H270-W496 AromaticContact CE1-NE1 3.43Å; H270-W496 PolarHBondContact CE1-NE1 3.17Å; H270-W496 AromaticContact ND1-CE2 3.68Å; H270-W496 AromaticContact ND1-CZ2 3.65Å; H270-W496 AromaticContact ND1-NE1 3.13Å; H270-W496 PolarHBondContact ND1-NE1 2.92Å; H270-W496 VanDerWaalsContact ND1-NE1 3.13Å; M273-W496 HydrophobicContact CB-CD2 3.55Å; M273-W496 HydrophobicContact CB-CE3 3.77Å; M273-W496 HydrophobicContact CB-CG 4Å; M273-W496 HydrophobicContact CB-CH2 4.18Å; M273-W496 HydrophobicContact CB-CZ2 3.97Å; M273-W496 HydrophobicContact CB-CZ3 4.08Å; M273-W496 HydrophobicContact CE-CB 3.91Å; M273-W496 HydrophobicContact CE-CD2 4.42Å; M273-W496 HydrophobicContact CE-CE3 4.24Å; M273-W496 HydrophobicContact CE-CG 4.31Å; M273-W496 HydrophobicContact CG-CB 4.2Å; M273-W496 HydrophobicContact CG-CD2 3.92Å; M273-W496 HydrophobicContact CG-CE3 4.41Å; M273-W496 HydrophobicContact CG-CG 3.8Å; K277-W496 HydrophobicContact CD-CZ3 4.17Å; V494-W496 HydrophobicContact CG1-CE3 4.23Å; V494-W496 HydrophobicContact CG1-CZ3 4.41Å; W496-L533 HydrophobicContact CB-CD1 4.14Å; W496-R534 CarbonylContact C-O 3.6Å; W496-R534 WeakPolarHBondContact CA-O 3.48Å
497E90.8Very high87.8Confident67 Ų6751.5 Ų51.531%0.31325%0.253SS..EExtended strand (participates in β ladder)trans-145.6145.8172.960.7173.6-137.900111I499 R534E497-I499 HydrophobicContact CG-CD1 4.31Å; E497-I499 HydrophobicContact CG-CG1 4.01Å; E497-I499 WeakPolarHBondContact OE1-CD1 3.27Å; E497-I499 VanDerWaalsContact OE1-CG1 3.27Å; E497-I499 WeakPolarHBondContact OE1-CG1 3.41Å; E497-R534 VanDerWaalsContact CD-NH1 3.32Å; E497-R534 HydrophobicContact CG-CB 3.84Å; E497-R534 PolarHBondContact N-O 3.27Å; E497-R534 PolarHBondContact O-N 2.69Å; E497-R534 IonicContact OE1-CZ 2.66Å; E497-R534 IonicContact OE1-NE 3.78Å; E497-R534 IonicContact OE1-NH1 3.5Å; E497-R534 PolarHBondContact OE1-NH1 3.14Å; E497-R534 IonicContact OE1-NH2 2.71Å; E497-R534 PolarHBondContact OE1-NH2 3.42Å; E497-R534 IonicContact OE2-CZ 3.09Å; E497-R534 IonicContact OE2-NH1 3.2Å; E497-R534 IonicContact OE2-NH2 2.87Å; E497-R534 PolarHBondContact OE2-NH2 3.12Å
498V89.1Confident87.2Confident38 Ų3851.7 Ų51.723%0.2325%0.254CS..EExtended strand (participates in β ladder)trans-94.7118.1172-179.60000108.2I262 V269 A532 L533I262-V498 HydrophobicContact CD1-CG1 4.1Å; V269-V498 HydrophobicContact CG1-CG2 4.2Å; V498-A532 CarbonylContact C-O 3.59Å; V498-A532 WeakPolarHBondContact CA-O 3.41Å; V498-L533 HydrophobicContact CG2-CD1 4.45Å
499I87.4Confident86.6Confident4 Ų452.3 Ų52.32%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-104.3133-176.7-58.6174.4000109.2E497 L508 F524 R531 A532 R534E497-I499 HydrophobicContact CG-CD1 4.31Å; E497-I499 HydrophobicContact CG-CG1 4.01Å; E497-I499 WeakPolarHBondContact OE1-CD1 3.27Å; E497-I499 VanDerWaalsContact OE1-CG1 3.27Å; E497-I499 WeakPolarHBondContact OE1-CG1 3.41Å; I499-L508 HydrophobicContact CG2-CD2 4.32Å; I499-F524 HydrophobicContact CD1-CD2 4.48Å; I499-F524 HydrophobicContact CD1-CE1 4.35Å; I499-F524 HydrophobicContact CD1-CE2 4.03Å; I499-F524 HydrophobicContact CD1-CZ 3.96Å; I499-F524 HydrophobicContact CG1-CD2 4.49Å; I499-F524 HydrophobicContact CG2-CB 3.85Å; I499-F524 HydrophobicContact CG2-CD1 3.31Å; I499-F524 HydrophobicContact CG2-CD2 4Å; I499-F524 HydrophobicContact CG2-CE1 3.79Å; I499-F524 HydrophobicContact CG2-CE2 4.41Å; I499-F524 HydrophobicContact CG2-CG 3.43Å; I499-F524 VanDerWaalsContact CG2-CG 3.43Å; I499-F524 HydrophobicContact CG2-CZ 4.31Å; I499-R531 CarbonylContact O-C 3.57Å; I499-R531 WeakPolarHBondContact O-CA 3.47Å; I499-A532 PolarHBondContact N-O 3.32Å; I499-A532 PolarHBondContact O-N 3.13Å; I499-R534 HydrophobicContact CD1-CB 3.72Å; I499-R534 HydrophobicContact CG1-CB 4.43Å
500H86.4Confident86Confident47 Ų4754 Ų5422%0.21827%0.265CS..EExtended strand (participates in β ladder)trans-101.5132.4172.4-62.279.5000110.6K525 K526 Y530 R531H500-K525 WeakPolarHBondContact CB-O 3.41Å; H500-K526 PolarHBondContact ND1-O 3.42Å; H500-Y530 WeakPolarHBondContact CA-O 3.19Å; H500-R531 VanDerWaalsContact CD2-CG 3.46Å; H500-R531 WeakPolarHBondContact CD2-CG 3.3Å; H500-R531 WeakPolarHBondContact NE2-CG 3.2Å
501Y83.9Confident85.5Confident11 Ų1147.8 Ų47.84%0.04324%0.243CC..EExtended strand (participates in β ladder)trans-150.4159-175.875-79000112.4R260 P504 L508 K529 Y530 A532R260-Y501 VanDerWaalsContact CA-OH 3.3Å; R260-Y501 WeakPolarHBondContact CA-OH 3.41Å; R260-Y501 PolarHBondContact N-OH 3.41Å; Y501-P504 HydrophobicContact CE2-CB 4.41Å; Y501-P504 HydrophobicContact CE2-CG 4.34Å; Y501-L508 HydrophobicContact CD1-CD1 4Å; Y501-L508 HydrophobicContact CE1-CD1 4.1Å; Y501-L508 HydrophobicContact CG-CD1 4.28Å; Y501-L508 HydrophobicContact CG-CD2 4.19Å; Y501-K529 PolarHBondContact O-N 3.06Å; Y501-Y530 WeakPolarHBondContact CD1-O 3.19Å; Y501-Y530 HydrophobicContact CD2-CD2 4.38Å; Y501-Y530 VanDerWaalsContact CE1-CB 3.49Å; Y501-Y530 AromaticContact CE2-CD2 3.99Å; Y501-Y530 HydrophobicContact CE2-CD2 3.99Å; Y501-Y530 HydrophobicContact CE2-CG 4.28Å; Y501-Y530 PolarHBondContact N-O 2.8Å; Y501-Y530 WeakPolarHBondContact O-CA 3.42Å; Y501-Y530 WeakPolarHBondContact O-CB 3.44Å; Y501-Y530 PolarHBondContact O-N 3Å; Y501-A532 HydrophobicContact CD1-CB 4.04Å; Y501-A532 HydrophobicContact CE1-CB 3.66Å
502D83.3Confident84.9Confident64 Ų6448 Ų4834%0.34224%0.243SC..SBendtrans-109.1-35.6-176.8-63.7-36.4000113.8K525 G528 K529 Y530D502-K525 WeakPolarHBondContact OD2-CD 3.47Å; D502-K525 WeakPolarHBondContact OD2-CE 3.45Å; D502-K525 IonicContact OD2-NZ 3.96Å; D502-K525 PolarHBondContact OD2-NZ 3.49Å; D502-G528 VanDerWaalsContact OD1-CA 3.27Å; D502-G528 WeakPolarHBondContact OD1-CA 3.22Å; D502-K529 PolarHBondContact OD1-N 3.25Å; D502-Y530 WeakPolarHBondContact O-CD2 3.27Å; D502-Y530 WeakPolarHBondContact O-CE2 3.47Å
503D80.1Confident84.3Confident45 Ų4546.2 Ų46.224%0.24123%0.229CC..  trans-111.3115.5-176.3-171.2-17.8000110.9R505 I506D503-R505 PolarHBondContact O-N 2.93Å; D503-R505 VanDerWaalsContact OD1-CB 3.25Å; D503-R505 WeakPolarHBondContact OD1-CB 3.26Å; D503-R505 WeakPolarHBondContact OD1-CG 3.48Å; D503-R505 IonicContact OD1-CZ 3.76Å; D503-R505 PolarHBondContact OD1-N 3.24Å; D503-R505 IonicContact OD1-NE 3.5Å; D503-R505 PolarHBondContact OD1-NE 3.07Å; D503-R505 IonicContact OD1-NH2 3.66Å; D503-R505 IonicContact OD2-CZ 3.41Å; D503-R505 IonicContact OD2-NE 3.85Å; D503-R505 PolarHBondContact OD2-NE 3.19Å; D503-R505 VanDerWaalsContact OD2-NE 3.12Å; D503-R505 IonicContact OD2-NH2 2.6Å; D503-R505 PolarHBondContact OD2-NH2 3.19Å; D503-I506 HydrophobicContact CB-CD1 3.8Å; D503-I506 HydrophobicContact CB-CG1 3.99Å; D503-I506 PolarHBondContact O-N 2.86Å; D503-I506 VanDerWaalsContact O-N 3.17Å
504P74.8Confident83.9Confident31 Ų3143.4 Ų43.420%0.20121%0.212CC..THydrogen-bonded Turntrans-59.7-12.8175.1-2333.7000115.6Y501 Y530Y501-P504 HydrophobicContact CE2-CB 4.41Å; Y501-P504 HydrophobicContact CE2-CG 4.34Å; P504-Y530 HydrophobicContact CG-CD2 4.48Å; P504-Y530 HydrophobicContact CG-CE2 4.13Å
505R76.6Confident83.4Confident189 Ų18947.9 Ų47.971%0.71323%0.231SC*.THydrogen-bonded Turntrans-85.5-12179.1-59.2173.9-65.2177.23.7113.2R33 D503R33-R505 PolarHBondContact NH1-O 3.14Å; R33-R505 PolarHBondContact NH2-O 3.42Å; D503-R505 PolarHBondContact O-N 2.93Å; D503-R505 VanDerWaalsContact OD1-CB 3.25Å; D503-R505 WeakPolarHBondContact OD1-CB 3.26Å; D503-R505 WeakPolarHBondContact OD1-CG 3.48Å; D503-R505 IonicContact OD1-CZ 3.76Å; D503-R505 PolarHBondContact OD1-N 3.24Å; D503-R505 IonicContact OD1-NE 3.5Å; D503-R505 PolarHBondContact OD1-NE 3.07Å; D503-R505 IonicContact OD1-NH2 3.66Å; D503-R505 IonicContact OD2-CZ 3.41Å; D503-R505 IonicContact OD2-NE 3.85Å; D503-R505 PolarHBondContact OD2-NE 3.19Å; D503-R505 VanDerWaalsContact OD2-NE 3.12Å; D503-R505 IonicContact OD2-NH2 2.6Å; D503-R505 PolarHBondContact OD2-NH2 3.19Å
506I79.3Confident82.8Confident89 Ų8947.6 Ų47.646%0.45623%0.225SC..SBendtrans-74.2139.6178.2-64.1171.7000109R33 D503R33-I506 PolarHBondContact NH1-O 2.85Å; D503-I506 HydrophobicContact CB-CD1 3.8Å; D503-I506 HydrophobicContact CB-CG1 3.99Å; D503-I506 PolarHBondContact O-N 2.86Å; D503-I506 VanDerWaalsContact O-N 3.17Å
507S77.8Confident82.3Confident24 Ų2448.7 Ų48.717%0.16823%0.233CC..  trans-75.4126.2171.6-169.30000109.2V509 P522S507-V509 VanDerWaalsContact C-N 3.35Å; S507-V509 PolarHBondContact OG-O 2.89Å; S507-P522 WeakPolarHBondContact O-CB 3.44Å
508L79.8Confident81.9Confident5 Ų552.6 Ų52.63%0.02626%0.256CS..SBendtrans-92.9-0.6177.2-58.1179.4000112.4V257 I499 Y501 F524 A532V257-L508 HydrophobicContact CG1-CB 4.09Å; V257-L508 HydrophobicContact CG1-CD1 3.72Å; V257-L508 HydrophobicContact CG2-CB 4.24Å; I499-L508 HydrophobicContact CG2-CD2 4.32Å; Y501-L508 HydrophobicContact CD1-CD1 4Å; Y501-L508 HydrophobicContact CE1-CD1 4.1Å; Y501-L508 HydrophobicContact CG-CD1 4.28Å; Y501-L508 HydrophobicContact CG-CD2 4.19Å; L508-F524 HydrophobicContact CB-CE1 4.39Å; L508-F524 HydrophobicContact CD2-CD1 4.11Å; L508-F524 HydrophobicContact CD2-CE1 3.64Å; L508-A532 HydrophobicContact CD1-CB 3.74Å
509V80.9Confident81.5Confident13 Ų1355.4 Ų55.48%0.07927%0.265CS..SBendtrans-122.8134.7176.3-172.20000109.2V38 T255 V257 S507 S511V38-V509 HydrophobicContact CG2-CB 4.26Å; V38-V509 HydrophobicContact CG2-CG1 3.73Å; V38-V509 HydrophobicContact CG2-CG2 4.49Å; T255-V509 HydrophobicContact CG2-CG1 4.02Å; T255-V509 HydrophobicContact CG2-CG2 4.22Å; V257-V509 HydrophobicContact CG2-CG2 3.37Å; S507-V509 VanDerWaalsContact C-N 3.35Å; S507-V509 PolarHBondContact OG-O 2.89Å; V509-S511 PolarHBondContact O-N 3.18Å
510H81.3Confident81.1Confident46 Ų4660.9 Ų60.921%0.21330%0.301CS..  trans-85.3101.5173.3-168.4-173.3000109.5E514 K515 K519H510-E514 IonicContact CD2-OE2 2.71Å; H510-K515 WeakPolarHBondContact CE1-CG 3.28Å; H510-K515 WeakPolarHBondContact NE2-CG 3.1Å; H510-K515 PolarHBondContact NE2-N 3.38Å; H510-K515 WeakPolarHBondContact O-CE 3.12Å; H510-K519 PolarHBondContact NE2-O 3.43Å
511S82.6Confident80.7Confident6 Ų661.3 Ų61.34%0.04231%0.313CS..  trans-70.5153.5-177.865.10000112.2V509 F513 E514 K515V509-S511 PolarHBondContact O-N 3.18Å; S511-F513 PolarHBondContact O-N 3.07Å; S511-E514 WeakPolarHBondContact CB-OE2 3.43Å; S511-E514 PolarHBondContact N-OE2 3.07Å; S511-E514 PolarHBondContact O-N 3.32Å; S511-E514 VanDerWaalsContact O-N 3.12Å; S511-E514 WeakPolarHBondContact OG-CB 3.34Å; S511-E514 WeakPolarHBondContact OG-CG 3.1Å; S511-E514 PolarHBondContact OG-N 3.16Å; S511-E514 PolarHBondContact OG-OE2 3.19Å; S511-K515 WeakPolarHBondContact O-CG 3.44Å; S511-K515 PolarHBondContact O-N 2.7Å
512D82.8Confident80.4Confident7 Ų762.6 Ų62.64%0.03732%0.322CS..Hα-helixtrans-56.4-35.7176.5-67.521.6000111.9H40 H50 L51 Y172 K515 L516H40-D512 IonicContact CD2-OD2 3.76Å; H40-D512 PolarHBondContact CD2-OD2 3.39Å; H40-D512 IonicContact CE1-OD1 3.32Å; H40-D512 VanDerWaalsContact NE2-CG 3.34Å; H40-D512 IonicContact NE2-OD1 3.28Å; H40-D512 PolarHBondContact NE2-OD1 2.95Å; H40-D512 IonicContact NE2-OD2 3.27Å; H40-D512 PolarHBondContact NE2-OD2 2.81Å; H40-D512 VanDerWaalsContact NE2-OD2 3.09Å; H50-D512 WeakPolarHBondContact CA-OD2 3.39Å; H50-D512 IonicContact CG-OD2 2.7Å; H50-D512 IonicContact ND1-OD1 3.46Å; H50-D512 IonicContact ND1-OD2 3.43Å; H50-D512 PolarHBondContact ND1-OD2 2.84Å; L51-D512 HydrophobicContact CB-CB 4.11Å; L51-D512 PolarHBondContact N-OD2 2.81Å; Y172-D512 HydrophobicContact CD2-CB 4.38Å; Y172-D512 HydrophobicContact CE2-CB 4.44Å; D512-K515 WeakPolarHBondContact O-CB 3.35Å; D512-K515 PolarHBondContact O-N 2.91Å; D512-L516 WeakPolarHBondContact O-CG 3.4Å; D512-L516 PolarHBondContact O-N 3.43Å
513F80.6Confident80Confident45 Ų4566.3 Ų66.320%0.19735%0.347CS..Hα-helixtrans-68.7-40.4177.5-176.4-113.4000112.7Y172 K233 S511 K515 L516 E517Y172-F513 HydrophobicContact CE1-CB 3.92Å; Y172-F513 HydrophobicContact CE2-CB 4.09Å; K233-F513 HydrophobicContact CD-CD2 4.33Å; K233-F513 HydrophobicContact CD-CE2 3.89Å; K233-F513 HydrophobicContact CG-CD2 3.73Å; K233-F513 HydrophobicContact CG-CE2 3.8Å; S511-F513 PolarHBondContact O-N 3.07Å; F513-K515 VanDerWaalsContact C-N 3.32Å; F513-L516 PolarHBondContact O-N 3.02Å; F513-E517 VanDerWaalsContact CE1-CD 3.42Å; F513-E517 HydrophobicContact CE1-CG 4.21Å; F513-E517 WeakPolarHBondContact CE1-OE1 3.31Å; F513-E517 WeakPolarHBondContact CE1-OE2 3.32Å; F513-E517 HydrophobicContact CE2-CG 4.22Å; F513-E517 HydrophobicContact CZ-CG 3.94Å; F513-E517 WeakPolarHBondContact CZ-OE1 3.46Å; F513-E517 PolarHBondContact O-N 2.87Å
514E81.8Confident79.9Confident48 Ų4867.3 Ų67.322%0.22435%0.349CS..Hα-helixtrans-64.6-38.4174.6-73.5164.3152.500111.8H510 S511 L516 E517 N518 K519H510-E514 IonicContact CD2-OE2 2.71Å; S511-E514 WeakPolarHBondContact CB-OE2 3.43Å; S511-E514 PolarHBondContact N-OE2 3.07Å; S511-E514 PolarHBondContact O-N 3.32Å; S511-E514 VanDerWaalsContact O-N 3.12Å; S511-E514 WeakPolarHBondContact OG-CB 3.34Å; S511-E514 WeakPolarHBondContact OG-CG 3.1Å; S511-E514 PolarHBondContact OG-N 3.16Å; S511-E514 PolarHBondContact OG-OE2 3.19Å; E514-L516 VanDerWaalsContact C-N 3.32Å; E514-L516 PolarHBondContact O-N 2.88Å; E514-E517 CarbonylContact O-C 3.36Å; E514-E517 PolarHBondContact O-N 2.96Å; E514-N518 PolarHBondContact O-N 2.89Å; E514-K519 HydrophobicContact CB-CB 4.14Å; E514-K519 HydrophobicContact CB-CD 4.14Å; E514-K519 HydrophobicContact CG-CD 3.85Å; E514-K519 WeakPolarHBondContact O-CB 3.44Å; E514-K519 PolarHBondContact O-N 2.6Å
515K83.3Confident79.9Confident105 Ų10572 Ų7246%0.45737%0.367SS..Hα-helixtrans-59.5-43.4173.2-69.4172.7-173.9170.80111.3H510 S511 D512 F513 E517 N518H510-K515 WeakPolarHBondContact CE1-CG 3.28Å; H510-K515 WeakPolarHBondContact NE2-CG 3.1Å; H510-K515 PolarHBondContact NE2-N 3.38Å; H510-K515 WeakPolarHBondContact O-CE 3.12Å; S511-K515 WeakPolarHBondContact O-CG 3.44Å; S511-K515 PolarHBondContact O-N 2.7Å; D512-K515 WeakPolarHBondContact O-CB 3.35Å; D512-K515 PolarHBondContact O-N 2.91Å; F513-K515 VanDerWaalsContact C-N 3.32Å; K515-E517 VanDerWaalsContact C-N 3.33Å; K515-E517 PolarHBondContact O-N 3.29Å; K515-N518 PolarHBondContact O-N 3.02Å; K515-N518 VanDerWaalsContact O-N 3.09Å
516L82.8Confident79.7Confident46 Ų4672 Ų7224%0.24137%0.372CS..Hα-helixtrans-66.2-33.1177.3-76.6170.2000113.6L51 D52 L54 D512 F513 E514 N518L51-L516 HydrophobicContact CB-CD1 4.38Å; L51-L516 HydrophobicContact CD2-CD1 3.62Å; L51-L516 HydrophobicContact CG-CD1 3.65Å; L51-L516 VanDerWaalsContact O-CD1 3.29Å; L51-L516 WeakPolarHBondContact O-CD1 3.31Å; D52-L516 VanDerWaalsContact O-CD2 3.3Å; D52-L516 WeakPolarHBondContact O-CD2 3.37Å; L54-L516 HydrophobicContact CD2-CD1 4.42Å; L54-L516 HydrophobicContact CG-CD1 4.4Å; D512-L516 WeakPolarHBondContact O-CG 3.4Å; D512-L516 PolarHBondContact O-N 3.43Å; F513-L516 PolarHBondContact O-N 3.02Å; E514-L516 VanDerWaalsContact C-N 3.32Å; E514-L516 PolarHBondContact O-N 2.88Å; L516-N518 PolarHBondContact O-N 3.2Å
517E83.3Confident79.5Confident92 Ų9274.7 Ų74.743%0.4339%0.387SS..THydrogen-bonded Turntrans-79.85.8174.1-68.7-170.4144.200113F513 E514 K515 K519F513-E517 VanDerWaalsContact CE1-CD 3.42Å; F513-E517 HydrophobicContact CE1-CG 4.21Å; F513-E517 WeakPolarHBondContact CE1-OE1 3.31Å; F513-E517 WeakPolarHBondContact CE1-OE2 3.32Å; F513-E517 HydrophobicContact CE2-CG 4.22Å; F513-E517 HydrophobicContact CZ-CG 3.94Å; F513-E517 WeakPolarHBondContact CZ-OE1 3.46Å; F513-E517 PolarHBondContact O-N 2.87Å; E514-E517 CarbonylContact O-C 3.36Å; E514-E517 PolarHBondContact O-N 2.96Å; K515-E517 VanDerWaalsContact C-N 3.33Å; K515-E517 PolarHBondContact O-N 3.29Å; E517-K519 HydrophobicContact CB-CD 4.36Å; E517-K519 HydrophobicContact CB-CG 4.23Å; E517-K519 PolarHBondContact O-N 2.76Å; E517-K519 WeakPolarHBondContact OE2-CE 3.28Å; E517-K519 IonicContact OE2-NZ 2.95Å; E517-K519 PolarHBondContact OE2-NZ 3.47Å
518N81.5Confident79.4Confident149 Ų14974.5 Ų74.580%0.79739%0.389SS*.THydrogen-bonded Turntrans51.934.5-173.8-64.5-56.9000112.8E514 K515 L516E514-N518 PolarHBondContact O-N 2.89Å; K515-N518 PolarHBondContact O-N 3.02Å; K515-N518 VanDerWaalsContact O-N 3.09Å; L516-N518 PolarHBondContact O-N 3.2Å
519K80.9Confident79.5Confident97 Ų9781.4 Ų81.442%0.42242%0.418SS..PPolyproline II helixtrans-70142.7174.1-77.4172171.4161.10109.8H510 E514 E517H510-K519 PolarHBondContact NE2-O 3.43Å; E514-K519 HydrophobicContact CB-CB 4.14Å; E514-K519 HydrophobicContact CB-CD 4.14Å; E514-K519 HydrophobicContact CG-CD 3.85Å; E514-K519 WeakPolarHBondContact O-CB 3.44Å; E514-K519 PolarHBondContact O-N 2.6Å; E517-K519 HydrophobicContact CB-CD 4.36Å; E517-K519 HydrophobicContact CB-CG 4.23Å; E517-K519 PolarHBondContact O-N 2.76Å; E517-K519 WeakPolarHBondContact OE2-CE 3.28Å; E517-K519 IonicContact OE2-NZ 2.95Å; E517-K519 PolarHBondContact OE2-NZ 3.47Å
520P78.9Confident79.6Confident120 Ų12083.1 Ų83.178%0.77942%0.424SS*.PPolyproline II helixtrans-63.5140178.226.9-33.6000110
521A78.6Confident79.8Confident56 Ų5683.2 Ų83.246%0.46342%0.423SS..PPolyproline II helixtrans-59.6144.8173.100000110.2V523A521-V523 PolarHBondContact O-N 2.97Å
522P77.1Confident80.1Confident37 Ų3783 Ų8324%0.2442%0.421CS..PPolyproline II helixtrans-61.8126177.524.5-32000110.1S507 F524S507-P522 WeakPolarHBondContact O-CB 3.44Å; P522-F524 HydrophobicContact CB-CE1 3.8Å; P522-F524 HydrophobicContact CB-CZ 3.91Å; P522-F524 HydrophobicContact CG-CE1 4.12Å; P522-F524 HydrophobicContact CG-CZ 3.72Å
523V75.9Confident80.4Confident143 Ų14382.6 Ų82.687%0.86742%0.419SS*.PPolyproline II helixtrans-93.8123.3175.8-178.40000108.5A521A521-V523 PolarHBondContact O-N 2.97Å
524F77.9Confident80.9Confident65 Ų6582.9 Ų82.929%0.28542%0.419SS..PPolyproline II helixtrans-96.2141.6-179.2-50-60000110.8I499 L508 P522I499-F524 HydrophobicContact CD1-CD2 4.48Å; I499-F524 HydrophobicContact CD1-CE1 4.35Å; I499-F524 HydrophobicContact CD1-CE2 4.03Å; I499-F524 HydrophobicContact CD1-CZ 3.96Å; I499-F524 HydrophobicContact CG1-CD2 4.49Å; I499-F524 HydrophobicContact CG2-CB 3.85Å; I499-F524 HydrophobicContact CG2-CD1 3.31Å; I499-F524 HydrophobicContact CG2-CD2 4Å; I499-F524 HydrophobicContact CG2-CE1 3.79Å; I499-F524 HydrophobicContact CG2-CE2 4.41Å; I499-F524 HydrophobicContact CG2-CG 3.43Å; I499-F524 VanDerWaalsContact CG2-CG 3.43Å; I499-F524 HydrophobicContact CG2-CZ 4.31Å; L508-F524 HydrophobicContact CB-CE1 4.39Å; L508-F524 HydrophobicContact CD2-CD1 4.11Å; L508-F524 HydrophobicContact CD2-CE1 3.64Å; P522-F524 HydrophobicContact CB-CE1 3.8Å; P522-F524 HydrophobicContact CB-CZ 3.91Å; P522-F524 HydrophobicContact CG-CE1 4.12Å; P522-F524 HydrophobicContact CG-CZ 3.72Å
525K74.3Confident81.4Confident129 Ų12980.7 Ų80.756%0.56141%0.408SS*.BIsolated β-bridgetrans-77.2155.5173.1-67.7-176.2-178.5175.40109.3H500 D502H500-K525 WeakPolarHBondContact CB-O 3.41Å; D502-K525 WeakPolarHBondContact OD2-CD 3.47Å; D502-K525 WeakPolarHBondContact OD2-CE 3.45Å; D502-K525 IonicContact OD2-NZ 3.96Å; D502-K525 PolarHBondContact OD2-NZ 3.49Å
526K72.1Confident82Confident190 Ų19078 Ų7883%0.82640%0.397SS*.SBendtrans-74.1-38.7172.4-72.4-174176-176.70111.8H500H500-K526 PolarHBondContact ND1-O 3.42Å
527D76.3Confident82.6Confident146 Ų14675.9 Ų75.978%0.78139%0.386SS*.SBendtrans-120.3113.4174.8-64.3-48000109.2
528G75Confident83.2Confident19 Ų1971.6 Ų71.620%0.19637%0.367CS..  trans-132.2154.3179.200000110.3D502 Y530D502-G528 VanDerWaalsContact OD1-CA 3.27Å; D502-G528 WeakPolarHBondContact OD1-CA 3.22Å; G528-Y530 PolarHBondContact O-N 3.34Å; G528-Y530 VanDerWaalsContact O-N 3.17Å
529K81.4Confident83.8Confident150 Ų15064.7 Ų64.765%0.65233%0.33SS*.SBendtrans-57.8-30.6-177.7-177.6176.8176.5-177.90113Y501 D502Y501-K529 PolarHBondContact O-N 3.06Å; D502-K529 PolarHBondContact OD1-N 3.25Å
530Y82.8Confident84.4Confident49 Ų4962.3 Ų62.319%0.19232%0.324CS..EExtended strand (participates in β ladder)trans-122.7147.4-177.4-54.9-68.1000111.4N261 H500 Y501 D502 P504 G528N261-Y530 HydrophobicContact CB-CD1 4.27Å; H500-Y530 WeakPolarHBondContact CA-O 3.19Å; Y501-Y530 WeakPolarHBondContact CD1-O 3.19Å; Y501-Y530 HydrophobicContact CD2-CD2 4.38Å; Y501-Y530 VanDerWaalsContact CE1-CB 3.49Å; Y501-Y530 AromaticContact CE2-CD2 3.99Å; Y501-Y530 HydrophobicContact CE2-CD2 3.99Å; Y501-Y530 HydrophobicContact CE2-CG 4.28Å; Y501-Y530 PolarHBondContact N-O 2.8Å; Y501-Y530 WeakPolarHBondContact O-CA 3.42Å; Y501-Y530 WeakPolarHBondContact O-CB 3.44Å; Y501-Y530 PolarHBondContact O-N 3Å; D502-Y530 WeakPolarHBondContact O-CD2 3.27Å; D502-Y530 WeakPolarHBondContact O-CE2 3.47Å; P504-Y530 HydrophobicContact CG-CD2 4.48Å; P504-Y530 HydrophobicContact CG-CE2 4.13Å; G528-Y530 PolarHBondContact O-N 3.34Å; G528-Y530 VanDerWaalsContact O-N 3.17Å
531R86.7Confident84.9Confident49 Ų4958.9 Ų58.919%0.18530%0.302CS..EExtended strand (participates in β ladder)trans-107.9135.2172.4-70.1167.765.4-128.51.5110.2N261 I262 G264 D266 I499 H500N261-R531 WeakPolarHBondContact CA-O 3.28Å; N261-R531 PolarHBondContact N-O 2.8Å; N261-R531 VanDerWaalsContact N-O 3.12Å; I262-R531 HydrophobicContact CD1-CB 4.12Å; I262-R531 HydrophobicContact CG1-CB 3.51Å; I262-R531 PolarHBondContact N-O 3.35Å; I262-R531 PolarHBondContact O-NH1 3.44Å; G264-R531 PolarHBondContact O-NH1 2.86Å; G264-R531 PolarHBondContact O-NH2 2.79Å; D266-R531 IonicContact OD1-CZ 2.86Å; D266-R531 IonicContact OD1-NE 3.9Å; D266-R531 IonicContact OD1-NH2 3.69Å; D266-R531 PolarHBondContact OD1-NH2 3.44Å; I499-R531 CarbonylContact O-C 3.57Å; I499-R531 WeakPolarHBondContact O-CA 3.47Å; H500-R531 VanDerWaalsContact CD2-CG 3.46Å; H500-R531 WeakPolarHBondContact CD2-CG 3.3Å; H500-R531 WeakPolarHBondContact NE2-CG 3.2Å
532A87.7Confident85.3Confident0 Ų060.6 Ų60.60%031%0.31CS..EExtended strand (participates in β ladder)trans-125.3149172.600000110.3V257 I258 V498 I499 Y501 L508V257-A532 HydrophobicContact CG1-CB 4.02Å; I258-A532 VanDerWaalsContact O-CA 3.26Å; I258-A532 WeakPolarHBondContact O-CA 3.4Å; I258-A532 WeakPolarHBondContact O-CB 3.38Å; V498-A532 CarbonylContact C-O 3.59Å; V498-A532 WeakPolarHBondContact CA-O 3.41Å; I499-A532 PolarHBondContact N-O 3.32Å; I499-A532 PolarHBondContact O-N 3.13Å; Y501-A532 HydrophobicContact CD1-CB 4.04Å; Y501-A532 HydrophobicContact CE1-CB 3.66Å; L508-A532 HydrophobicContact CD1-CB 3.74Å
533L89.6Confident86Confident0 Ų059.7 Ų59.70%030%0.304CS..EExtended strand (participates in β ladder)trans-104.9112.5172.2174.958.3000108.8F26 V257 I258 I262 V269 W496 V498 M535 V552F26-L533 HydrophobicContact CE2-CD2 4.38Å; F26-L533 HydrophobicContact CZ-CD2 4.1Å; V257-L533 WeakPolarHBondContact CA-O 3.46Å; I258-L533 HydrophobicContact CB-CB 4.39Å; I258-L533 HydrophobicContact CD1-CD2 4.48Å; I258-L533 PolarHBondContact N-O 2.73Å; I258-L533 PolarHBondContact O-N 2.78Å; I262-L533 HydrophobicContact CG2-CB 4.28Å; V269-L533 HydrophobicContact CG1-CD1 3.61Å; V269-L533 HydrophobicContact CG1-CD2 3.9Å; V269-L533 HydrophobicContact CG1-CG 4.36Å; W496-L533 HydrophobicContact CB-CD1 4.14Å; V498-L533 HydrophobicContact CG2-CD1 4.45Å; L533-M535 HydrophobicContact CD2-CE 3.37Å; L533-M535 HydrophobicContact CG-CE 3.69Å; L533-V552 HydrophobicContact CD2-CG1 4.27Å
534R91.1Very high86.7Confident51 Ų5155 Ų5519%0.19227%0.271CS..EExtended strand (participates in β ladder)trans-91.2129.3166.9-175.4172.598.6-132.3-14.5108.5T255 V256 V257 W496 E497 I499 E536T255-R534 HydrophobicContact CG2-CG 4.23Å; V256-R534 WeakPolarHBondContact O-CA 3.28Å; V257-R534 HydrophobicContact CG2-CB 4.1Å; V257-R534 HydrophobicContact CG2-CG 3.95Å; W496-R534 CarbonylContact C-O 3.6Å; W496-R534 WeakPolarHBondContact CA-O 3.48Å; E497-R534 VanDerWaalsContact CD-NH1 3.32Å; E497-R534 HydrophobicContact CG-CB 3.84Å; E497-R534 PolarHBondContact N-O 3.27Å; E497-R534 PolarHBondContact O-N 2.69Å; E497-R534 IonicContact OE1-CZ 2.66Å; E497-R534 IonicContact OE1-NE 3.78Å; E497-R534 IonicContact OE1-NH1 3.5Å; E497-R534 PolarHBondContact OE1-NH1 3.14Å; E497-R534 IonicContact OE1-NH2 2.71Å; E497-R534 PolarHBondContact OE1-NH2 3.42Å; E497-R534 IonicContact OE2-CZ 3.09Å; E497-R534 IonicContact OE2-NH1 3.2Å; E497-R534 IonicContact OE2-NH2 2.87Å; E497-R534 PolarHBondContact OE2-NH2 3.12Å; I499-R534 HydrophobicContact CD1-CB 3.72Å; I499-R534 HydrophobicContact CG1-CB 4.43Å; R534-E536 IonicContact CZ-OE1 2.94Å; R534-E536 IonicContact NE-OE1 3.68Å; R534-E536 PolarHBondContact NE-OE1 3.35Å; R534-E536 IonicContact NH2-OE1 2.7Å
535M92.8Very high87.3Confident1 Ų152.2 Ų52.21%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-130.6138.7177.255.3-176.963.900109.9T255 V256 I258 M273 S495 L533 F537 I549 V552T255-M535 WeakPolarHBondContact CA-O 3.38Å; V256-M535 HydrophobicContact CB-CG 3.87Å; V256-M535 HydrophobicContact CB-SD 4.43Å; V256-M535 PolarHBondContact N-O 3.39Å; V256-M535 WeakPolarHBondContact O-CG 3.35Å; V256-M535 PolarHBondContact O-N 3.39Å; I258-M535 HydrophobicContact CD1-CE 3.36Å; I258-M535 HydrophobicContact CD1-SD 4.14Å; I258-M535 HydrophobicContact CG1-CE 4.15Å; M273-M535 HydrophobicContact CE-CB 3.79Å; M273-M535 HydrophobicContact CE-CE 4.45Å; M273-M535 HydrophobicContact SD-CE 3.93Å; S495-M535 WeakPolarHBondContact O-CA 3.21Å; L533-M535 HydrophobicContact CD2-CE 3.37Å; L533-M535 HydrophobicContact CG-CE 3.69Å; M535-F537 HydrophobicContact CB-CD1 4.35Å; M535-F537 HydrophobicContact CB-CE1 4.44Å; M535-F537 HydrophobicContact CG-CD1 4.25Å; M535-F537 HydrophobicContact CG-CE1 3.84Å; M535-F537 HydrophobicContact SD-CD1 4.46Å; M535-F537 HydrophobicContact SD-CE1 3.76Å; M535-I549 HydrophobicContact SD-CG1 4.24Å; M535-V552 HydrophobicContact CE-CG1 4.14Å
536E94.7Very high88Confident50 Ų5046.4 Ų46.423%0.23424%0.235CC..EExtended strand (participates in β ladder)trans-122.6132.7174.5-65.6163.5-155.200108.5F254 T255 V494 S495 R534F254-E536 VanDerWaalsContact O-CA 3.24Å; F254-E536 WeakPolarHBondContact O-CA 3.41Å; T255-E536 HydrophobicContact CG2-CG 3.79Å; V494-E536 VanDerWaalsContact CA-O 3.28Å; V494-E536 WeakPolarHBondContact CA-O 3.49Å; S495-E536 PolarHBondContact N-O 3.17Å; S495-E536 PolarHBondContact O-N 2.81Å; S495-E536 WeakPolarHBondContact OG-CB 3.47Å; S495-E536 PolarHBondContact OG-OE2 3.47Å; R534-E536 IonicContact CZ-OE1 2.94Å; R534-E536 IonicContact NE-OE1 3.68Å; R534-E536 PolarHBondContact NE-OE1 3.35Å; R534-E536 IonicContact NH2-OE1 2.7Å
537F95.6Very high88.9Confident0 Ų037.6 Ų37.60%020%0.197CC..EExtended strand (participates in β ladder)trans-162.4151.5179.255.3-93.1000111.4F254 V256 P491 V494 M535 L539 A545 A548F254-F537 HydrophobicContact CB-CD2 4.2Å; F254-F537 HydrophobicContact CB-CE1 4.47Å; F254-F537 HydrophobicContact CB-CE2 3.79Å; F254-F537 HydrophobicContact CB-CZ 3.96Å; F254-F537 HydrophobicContact CD2-CD2 4.26Å; F254-F537 AromaticContact CD2-CE2 3.9Å; F254-F537 HydrophobicContact CD2-CE2 3.9Å; F254-F537 HydrophobicContact CG-CE2 4.01Å; F254-F537 HydrophobicContact CG-CZ 4.45Å; F254-F537 PolarHBondContact N-O 3.4Å; F254-F537 PolarHBondContact O-N 3.15Å; V256-F537 HydrophobicContact CG2-CE1 4.32Å; V256-F537 HydrophobicContact CG2-CZ 4.25Å; P491-F537 HydrophobicContact CB-CB 4.03Å; V494-F537 HydrophobicContact CG2-CB 4.04Å; M535-F537 HydrophobicContact CB-CD1 4.35Å; M535-F537 HydrophobicContact CB-CE1 4.44Å; M535-F537 HydrophobicContact CG-CD1 4.25Å; M535-F537 HydrophobicContact CG-CE1 3.84Å; M535-F537 HydrophobicContact SD-CD1 4.46Å; M535-F537 HydrophobicContact SD-CE1 3.76Å; F537-L539 HydrophobicContact CD2-CD1 4.17Å; F537-L539 HydrophobicContact CD2-CD2 3.98Å; F537-L539 HydrophobicContact CD2-CG 3.78Å; F537-L539 HydrophobicContact CE2-CD1 3.72Å; F537-L539 HydrophobicContact CE2-CD2 4.3Å; F537-L539 HydrophobicContact CE2-CG 3.87Å; F537-A545 HydrophobicContact CE2-CB 4.15Å; F537-A545 HydrophobicContact CZ-CB 4.22Å; F537-A548 HydrophobicContact CE2-CB 4.3Å; F537-A548 HydrophobicContact CZ-CB 4.34Å
538S95.8Very high89.6Confident3 Ų330.6 Ų30.62%0.02116%0.16CC..EExtended strand (participates in β ladder)trans-104.6133.8178-61.40000110.5H253 P491 T492 D493H253-S538 PolarHBondContact ND1-OG 2.89Å; P491-S538 WeakPolarHBondContact CA-O 3.4Å; T492-S538 PolarHBondContact N-O 2.85Å; T492-S538 VanDerWaalsContact N-O 3.11Å; T492-S538 PolarHBondContact O-N 3.19Å; T492-S538 VanDerWaalsContact OG1-CB 3.28Å; T492-S538 WeakPolarHBondContact OG1-CB 3.36Å; D493-S538 PolarHBondContact OD2-OG 2.83Å
539L94.8Very high90.3Very high4 Ų429.8 Ų29.82%0.02115%0.151CC..EExtended strand (participates in β ladder)trans-122.9143.9176.9-59178.5000112.2G251 N252 F254 F281 I489 P491 F537 T543 A545G251-L539 CarbonylContact C-O 3.54Å; G251-L539 WeakPolarHBondContact CA-O 3.35Å; N252-L539 PolarHBondContact N-O 3.36Å; N252-L539 PolarHBondContact O-N 3.47Å; F254-L539 HydrophobicContact CD2-CB 4.4Å; F254-L539 HydrophobicContact CD2-CD1 4.05Å; F254-L539 HydrophobicContact CD2-CG 4.09Å; F254-L539 HydrophobicContact CE2-CB 3.96Å; F254-L539 HydrophobicContact CE2-CD1 3.79Å; F254-L539 HydrophobicContact CE2-CG 4.01Å; F281-L539 HydrophobicContact CE1-CD2 3.67Å; F281-L539 HydrophobicContact CZ-CD1 4.29Å; F281-L539 HydrophobicContact CZ-CD2 3.9Å; I489-L539 HydrophobicContact CG2-CD2 4.42Å; P491-L539 HydrophobicContact CB-CD2 3.81Å; P491-L539 HydrophobicContact CG-CD2 3.93Å; F537-L539 HydrophobicContact CD2-CD1 4.17Å; F537-L539 HydrophobicContact CD2-CD2 3.98Å; F537-L539 HydrophobicContact CD2-CG 3.78Å; F537-L539 HydrophobicContact CE2-CD1 3.72Å; F537-L539 HydrophobicContact CE2-CD2 4.3Å; F537-L539 HydrophobicContact CE2-CG 3.87Å; L539-T543 HydrophobicContact CB-CG2 4.16Å; L539-T543 HydrophobicContact CD1-CG2 3.96Å; L539-T543 HydrophobicContact CD2-CG2 4.32Å; L539-T543 HydrophobicContact CG-CG2 4.39Å; L539-A545 HydrophobicContact CD1-CB 4.06Å
540P93.1Very high90.8Very high46 Ų4623.1 Ų23.130%0.29912%0.122SC..  trans-66.5164.4173.726.1-30.8000112.3I489 T543I489-P540 HydrophobicContact CD1-CG 4.05Å; I489-P540 HydrophobicContact CG2-CG 3.89Å; P540-T543 WeakPolarHBondContact O-CB 3.45Å; P540-T543 PolarHBondContact O-N 2.77Å; P540-T543 PolarHBondContact O-OG1 2.91Å
541P90Very high91.1Very high49 Ų4921 Ų2132%0.31811%0.113SC..THydrogen-bonded Turntrans-57.9157177.325.8-37.1000111.9L249 Q250 T543L249-P541 HydrophobicContact CD2-CB 4.4Å; L249-P541 HydrophobicContact CG-CB 4.17Å; Q250-P541 WeakPolarHBondContact O-CD 3.47Å; P541-T543 PolarHBondContact O-N 2.71Å; P541-T543 PolarHBondContact O-OG1 2.98Å
542S87.2Confident91.3Very high92 Ų9218.7 Ų18.764%0.64311%0.105SC*.THydrogen-bonded Turntrans61.622.6-177.8-50.30000114.2R485R485-S542 VanDerWaalsContact CZ-O 3.24Å; R485-S542 PolarHBondContact NH1-O 2.98Å; R485-S542 PolarHBondContact NH2-O 3.06Å
543T91.4Very high91.2Very high18 Ų1819.2 Ų19.211%0.1111%0.107CC..  trans-111.9146.4177.8-48.40000110.3F281 I489 L539 P540 P541F281-T543 HydrophobicContact CE2-CG2 4.04Å; F281-T543 HydrophobicContact CZ-CG2 3.46Å; F281-T543 VanDerWaalsContact CZ-CG2 3.46Å; I489-T543 HydrophobicContact CB-CG2 4.46Å; I489-T543 HydrophobicContact CG1-CG2 4.38Å; I489-T543 HydrophobicContact CG2-CG2 4.19Å; L539-T543 HydrophobicContact CB-CG2 4.16Å; L539-T543 HydrophobicContact CD1-CG2 3.96Å; L539-T543 HydrophobicContact CD2-CG2 4.32Å; L539-T543 HydrophobicContact CG-CG2 4.39Å; P540-T543 WeakPolarHBondContact O-CB 3.45Å; P540-T543 PolarHBondContact O-N 2.77Å; P540-T543 PolarHBondContact O-OG1 2.91Å; P541-T543 PolarHBondContact O-N 2.71Å; P541-T543 PolarHBondContact O-OG1 2.98Å
544Y90.4Very high91Very high45 Ų4521.4 Ų21.418%0.17612%0.117CC..  trans-107.3114-176-66-95.7000111Y284 Y285 T546 M547Y284-Y544 WeakPolarHBondContact O-CD2 3.42Å; Y285-Y544 AromaticContact CD1-CE2 3.6Å; Y285-Y544 HydrophobicContact CD1-CE2 3.6Å; Y285-Y544 AromaticContact CD1-CZ 3.96Å; Y285-Y544 HydrophobicContact CE1-CE2 4.23Å; Y285-Y544 HydrophobicContact CG-CE2 4.33Å; Y544-T546 PolarHBondContact O-N 3.2Å; Y544-M547 WeakPolarHBondContact O-CB 3.38Å; Y544-M547 PolarHBondContact O-N 2.81Å
545A90.6Very high90.5Very high6 Ų621 Ų215%0.0512%0.119CC..Hα-helixtrans-59.5-29.817600000112.9F37 F254 F537 L539 M547 A548 I549F37-A545 HydrophobicContact CE2-CB 4.42Å; F37-A545 HydrophobicContact CZ-CB 3.96Å; F254-A545 HydrophobicContact CD1-CB 3.66Å; F254-A545 HydrophobicContact CD2-CB 4.23Å; F254-A545 HydrophobicContact CE1-CB 3.61Å; F254-A545 HydrophobicContact CE2-CB 4.18Å; F254-A545 HydrophobicContact CG-CB 3.98Å; F254-A545 HydrophobicContact CZ-CB 3.88Å; F537-A545 HydrophobicContact CE2-CB 4.15Å; F537-A545 HydrophobicContact CZ-CB 4.22Å; L539-A545 HydrophobicContact CD1-CB 4.06Å; A545-M547 PolarHBondContact O-N 3.45Å; A545-A548 WeakPolarHBondContact O-CB 3.21Å; A545-A548 PolarHBondContact O-N 2.87Å; A545-I549 WeakPolarHBondContact O-CD1 3.47Å; A545-I549 VanDerWaalsContact O-CG1 3.32Å; A545-I549 WeakPolarHBondContact O-CG1 3.2Å; A545-I549 PolarHBondContact O-N 3.16Å
546T88.5Confident89.6Confident7 Ų723.1 Ų23.14%0.04313%0.13CC..Hα-helixtrans-61.5-28.1173.745.60000113.2L30 Q288 Y544 R550L30-T546 HydrophobicContact CD2-CG2 4.04Å; Q288-T546 PolarHBondContact NE2-OG1 3.27Å; Q288-T546 PolarHBondContact OE1-OG1 3Å; Y544-T546 PolarHBondContact O-N 3.2Å; T546-R550 VanDerWaalsContact O-CB 3.25Å; T546-R550 WeakPolarHBondContact O-CB 3.49Å; T546-R550 PolarHBondContact O-N 2.8Å
547M91.6Very high88.3Confident4 Ų421.4 Ų21.42%0.0212%0.123CC..Hα-helixtrans-77.9-32.5177-59.7-65.191.100111.9I16 F281 Y544 A545 R550 E551 T557I16-M547 HydrophobicContact CD1-SD 4.18Å; I16-M547 HydrophobicContact CG2-SD 4.43Å; F281-M547 HydrophobicContact CD2-CB 3.89Å; F281-M547 HydrophobicContact CE2-CB 3.85Å; Y544-M547 WeakPolarHBondContact O-CB 3.38Å; Y544-M547 PolarHBondContact O-N 2.81Å; A545-M547 PolarHBondContact O-N 3.45Å; M547-R550 HydrophobicContact CE-CB 4.37Å; M547-R550 WeakPolarHBondContact O-CB 3.4Å; M547-R550 PolarHBondContact O-N 3.42Å; M547-E551 PolarHBondContact O-N 3.35Å; M547-T557 WeakPolarHBondContact CE-OG1 3.46Å
548A91.5Very high86.5Confident0 Ų021.5 Ų21.50%012%0.123CC..Hα-helixtrans-64.7-43.8169.300000111.2L276 F281 F537 A545 R550 E551 V552L276-A548 HydrophobicContact CD1-CB 4.3Å; F281-A548 HydrophobicContact CD1-CB 3.83Å; F281-A548 HydrophobicContact CD2-CB 4.31Å; F281-A548 HydrophobicContact CE1-CB 3.76Å; F281-A548 HydrophobicContact CE2-CB 4.24Å; F281-A548 HydrophobicContact CG-CB 4.11Å; F281-A548 HydrophobicContact CZ-CB 3.95Å; F537-A548 HydrophobicContact CE2-CB 4.3Å; F537-A548 HydrophobicContact CZ-CB 4.34Å; A545-A548 WeakPolarHBondContact O-CB 3.21Å; A545-A548 PolarHBondContact O-N 2.87Å; A548-R550 VanDerWaalsContact C-N 3.34Å; A548-R550 PolarHBondContact O-N 2.85Å; A548-E551 WeakPolarHBondContact O-CB 3.32Å; A548-E551 PolarHBondContact O-N 2.94Å; A548-V552 PolarHBondContact O-N 3.31Å
549I90.1Very high84.8Confident1 Ų125.5 Ų25.51%0.00514%0.144CC..Hα-helixtrans-66.3-38.9177-63157.4000111.1L30 F37 V256 I258 M535 A545 E551 V552 L553L30-I549 HydrophobicContact CD1-CD1 3.79Å; L30-I549 HydrophobicContact CD2-CD1 3.93Å; L30-I549 HydrophobicContact CD2-CG2 4.34Å; F37-I549 HydrophobicContact CE2-CD1 4.11Å; V256-I549 HydrophobicContact CG1-CD1 3.83Å; V256-I549 HydrophobicContact CG1-CG1 4.46Å; V256-I549 HydrophobicContact CG2-CD1 4.26Å; I258-I549 HydrophobicContact CD1-CG2 3.89Å; M535-I549 HydrophobicContact SD-CG1 4.24Å; A545-I549 WeakPolarHBondContact O-CD1 3.47Å; A545-I549 VanDerWaalsContact O-CG1 3.32Å; A545-I549 WeakPolarHBondContact O-CG1 3.2Å; A545-I549 PolarHBondContact O-N 3.16Å; I549-E551 VanDerWaalsContact C-N 3.27Å; I549-E551 PolarHBondContact O-N 3.36Å; I549-V552 PolarHBondContact O-N 3.39Å; I549-L553 HydrophobicContact CG2-CD1 3.81Å; I549-L553 HydrophobicContact CG2-CG 4.18Å; I549-L553 PolarHBondContact O-N 2.97Å
550R90.6Very high83.1Confident10 Ų1028.8 Ų28.84%0.03816%0.158CC..Hα-helixtrans-56.6-44.2173.7-173.1-165171.8-98.62.1110.8E11 K18 Y19 T546 M547 A548 V552 K554 T557E11-R550 VanDerWaalsContact CD-NE 3.31Å; E11-R550 WeakPolarHBondContact OE1-CD 3.34Å; E11-R550 IonicContact OE1-NE 3.71Å; E11-R550 PolarHBondContact OE1-NE 3.38Å; E11-R550 IonicContact OE2-CZ 2.84Å; E11-R550 IonicContact OE2-NE 3.41Å; E11-R550 PolarHBondContact OE2-NE 3.14Å; E11-R550 IonicContact OE2-NH2 2.95Å; E11-R550 PolarHBondContact OE2-NH2 3.44Å; K18-R550 PolarHBondContact O-NH1 2.81Å; Y19-R550 VanDerWaalsContact CD1-NH1 3.32Å; Y19-R550 HydrophobicContact CE1-CG 3.96Å; Y19-R550 WeakPolarHBondContact CE1-O 3.38Å; Y19-R550 VanDerWaalsContact CZ-NH2 3.26Å; Y19-R550 PolarHBondContact OH-NH2 2.78Å; T546-R550 VanDerWaalsContact O-CB 3.25Å; T546-R550 WeakPolarHBondContact O-CB 3.49Å; T546-R550 PolarHBondContact O-N 2.8Å; M547-R550 HydrophobicContact CE-CB 4.37Å; M547-R550 WeakPolarHBondContact O-CB 3.4Å; M547-R550 PolarHBondContact O-N 3.42Å; A548-R550 VanDerWaalsContact C-N 3.34Å; A548-R550 PolarHBondContact O-N 2.85Å; R550-V552 VanDerWaalsContact C-N 3.32Å; R550-V552 PolarHBondContact O-N 2.96Å; R550-K554 WeakPolarHBondContact O-CA 3.35Å; R550-K554 PolarHBondContact O-N 3.3Å; R550-T557 HydrophobicContact CB-CG2 3.69Å; R550-T557 HydrophobicContact CG-CG2 4.04Å
551E90Very high81.4Confident5 Ų530.3 Ų30.32%0.02316%0.16CC..Hα-helixtrans-61-41.3177.1-173.660.3-144.900111.8Y19 V20 S21 H23 F281 M547 A548 I549Y19-E551 WeakPolarHBondContact CA-OE2 3.44Å; V20-E551 WeakPolarHBondContact CA-OE1 3.37Å; V20-E551 WeakPolarHBondContact CB-OE1 3.39Å; V20-E551 VanDerWaalsContact N-CD 3.31Å; V20-E551 PolarHBondContact N-OE1 3.43Å; V20-E551 PolarHBondContact N-OE2 3.01Å; S21-E551 WeakPolarHBondContact CB-OE1 3.31Å; S21-E551 PolarHBondContact N-OE1 3.37Å; H23-E551 PolarHBondContact CE1-O 3.13Å; F281-E551 HydrophobicContact CB-CB 3.77Å; F281-E551 HydrophobicContact CB-CG 3.91Å; M547-E551 PolarHBondContact O-N 3.35Å; A548-E551 WeakPolarHBondContact O-CB 3.32Å; A548-E551 PolarHBondContact O-N 2.94Å; I549-E551 VanDerWaalsContact C-N 3.27Å; I549-E551 PolarHBondContact O-N 3.36Å
552V89.4Confident80Confident1 Ų130.1 Ų30.11%0.00615%0.154CC..Hα-helixtrans-70.9-40.9179.9173.80000113H23 F26 A272 M273 L276 L533 M535 A548 I549 R550H23-V552 PolarHBondContact NE2-O 3.15Å; H23-V552 VanDerWaalsContact NE2-O 3.16Å; F26-V552 HydrophobicContact CE1-CG1 4.15Å; F26-V552 WeakPolarHBondContact CE1-O 3.39Å; F26-V552 HydrophobicContact CZ-CG1 3.71Å; A272-V552 HydrophobicContact CB-CG1 4.12Å; M273-V552 HydrophobicContact SD-CG1 3.98Å; M273-V552 HydrophobicContact SD-CG2 3.77Å; L276-V552 HydrophobicContact CB-CG2 4.37Å; L276-V552 HydrophobicContact CD2-CG2 3.75Å; L276-V552 HydrophobicContact CG-CG2 4.48Å; L533-V552 HydrophobicContact CD2-CG1 4.27Å; M535-V552 HydrophobicContact CE-CG1 4.14Å; A548-V552 PolarHBondContact O-N 3.31Å; I549-V552 PolarHBondContact O-N 3.39Å; R550-V552 VanDerWaalsContact C-N 3.32Å; R550-V552 PolarHBondContact O-N 2.96Å
553L87.1Confident78.4Confident10 Ų1028 Ų285%0.05214%0.138CC..Hα-helixtrans-87.3-21.8-177.5-63.3-178.5000112.9G25 F26 I258 I549 L555G25-L553 WeakPolarHBondContact CA-O 3.48Å; F26-L553 HydrophobicContact CD2-CD2 3.68Å; F26-L553 HydrophobicContact CE2-CD2 3.31Å; F26-L553 HydrophobicContact CG-CD2 4.48Å; F26-L553 HydrophobicContact CZ-CD2 3.84Å; F26-L553 PolarHBondContact N-O 2.9Å; F26-L553 VanDerWaalsContact N-O 3.17Å; F26-L553 VanDerWaalsContact O-O 3.11Å; I258-L553 HydrophobicContact CD1-CD1 4.16Å; I258-L553 HydrophobicContact CD1-CD2 3.99Å; I258-L553 HydrophobicContact CD1-CG 4.14Å; I258-L553 HydrophobicContact CG2-CD1 4.34Å; I258-L553 HydrophobicContact CG2-CD2 4.3Å; I549-L553 HydrophobicContact CG2-CD1 3.81Å; I549-L553 HydrophobicContact CG2-CG 4.18Å; I549-L553 PolarHBondContact O-N 2.97Å; L553-L555 HydrophobicContact CB-CB 4.06Å; L553-L555 HydrophobicContact CB-CD1 4.47Å; L553-L555 HydrophobicContact CB-CG 4.32Å; L553-L555 PolarHBondContact O-N 3.02Å; L553-L555 VanDerWaalsContact O-N 3.14Å
554K85.2Confident76.7Confident47 Ų4730.4 Ų30.420%0.20415%0.148CC..  trans47.133.7-164.1-60.8-173167.9-1660114Y19 S21 D22 H23 R550Y19-K554 HydrophobicContact CD1-CB 4.47Å; Y19-K554 HydrophobicContact CD1-CG 4.02Å; Y19-K554 HydrophobicContact CE1-CB 4.05Å; Y19-K554 HydrophobicContact CE1-CG 4.09Å; Y19-K554 HydrophobicContact CG-CG 4.41Å; Y19-K554 PolarHBondContact OH-O 2.89Å; S21-K554 WeakPolarHBondContact O-CE 3.04Å; S21-K554 PolarHBondContact O-NZ 3.41Å; D22-K554 VanDerWaalsContact C-NZ 3.25Å; H23-K554 WeakPolarHBondContact O-CD 3.07Å; H23-K554 WeakPolarHBondContact O-CE 3.22Å; H23-K554 PolarHBondContact O-NZ 2.91Å; R550-K554 WeakPolarHBondContact O-CA 3.35Å; R550-K554 PolarHBondContact O-N 3.3Å
555L80.1Confident75.1Confident42 Ų4229.7 Ų29.722%0.2215%0.147CC..SBendtrans-112.7143178.4-76.8-179.1000111.1L553 T557 L565L553-L555 HydrophobicContact CB-CB 4.06Å; L553-L555 HydrophobicContact CB-CD1 4.47Å; L553-L555 HydrophobicContact CB-CG 4.32Å; L553-L555 PolarHBondContact O-N 3.02Å; L553-L555 VanDerWaalsContact O-N 3.14Å; L555-T557 PolarHBondContact O-N 2.65Å; L555-L565 HydrophobicContact CD1-CD1 4.43Å
556D73.2Confident73.4Confident45 Ų4531.3 Ų31.324%0.24116%0.155CC..  trans-57.8122.1171.8179.49.1000110.1E11 S558 K561E11-D556 WeakPolarHBondContact CG-OD1 3.33Å; D556-S558 PolarHBondContact O-N 2.82Å; D556-S558 WeakPolarHBondContact OD1-CB 3.27Å; D556-S558 PolarHBondContact OD1-N 3.28Å; D556-S558 PolarHBondContact OD1-OG 2.81Å; D556-S558 WeakPolarHBondContact OD2-CB 3.38Å; D556-S558 PolarHBondContact OD2-OG 3Å; D556-K561 HydrophobicContact CB-CB 4.28Å; D556-K561 HydrophobicContact CB-CG 4.38Å; D556-K561 WeakPolarHBondContact O-CB 3.23Å
557T68.2Low71.6Confident15 Ų1533.9 Ų33.99%0.09217%0.171CC..  trans-83.84.5178.762.60000113.2E11 M547 R550 L555 Q562E11-T557 WeakPolarHBondContact OE1-CB 3.45Å; E11-T557 PolarHBondContact OE1-N 2.94Å; E11-T557 PolarHBondContact OE1-OG1 3.02Å; M547-T557 WeakPolarHBondContact CE-OG1 3.46Å; R550-T557 HydrophobicContact CB-CG2 3.69Å; R550-T557 HydrophobicContact CG-CG2 4.04Å; L555-T557 PolarHBondContact O-N 2.65Å; T557-Q562 PolarHBondContact O-NE2 2.65Å
558S58.3Low69.4Low1 Ų138.7 Ų38.71%0.00720%0.2CC..SBendtrans-55.8144.3176.672.10000111.7D556 K560 K561 Q562D556-S558 PolarHBondContact O-N 2.82Å; D556-S558 WeakPolarHBondContact OD1-CB 3.27Å; D556-S558 PolarHBondContact OD1-N 3.28Å; D556-S558 PolarHBondContact OD1-OG 2.81Å; D556-S558 WeakPolarHBondContact OD2-CB 3.38Å; D556-S558 PolarHBondContact OD2-OG 3Å; S558-K560 PolarHBondContact O-N 2.83Å; S558-K560 VanDerWaalsContact O-N 3.11Å; S558-K561 PolarHBondContact O-N 3.36Å; S558-K561 PolarHBondContact OG-N 3.12Å; S558-Q562 PolarHBondContact O-N 3.17Å
559I60.5Low66.8Low88 Ų8844 Ų4445%0.45122%0.22SC..Hα-helixtrans-54.7-34.3176.7-62.5171000110.1T292 T563T292-I559 HydrophobicContact CG2-CD1 4.08Å; I559-T563 WeakPolarHBondContact O-CB 3.5Å; I559-T563 PolarHBondContact O-N 3.41Å; I559-T563 PolarHBondContact O-OG1 3.49Å
560K58.5Low64.1Low72 Ų7251.4 Ų51.431%0.31325%0.252SS..Hα-helixtrans-58.1-52.7175.8-177.1179.5178.8-179.40111.1M5 S558 T563 Q564M5-K560 WeakPolarHBondContact O-CE 3.32Å; S558-K560 PolarHBondContact O-N 2.83Å; S558-K560 VanDerWaalsContact O-N 3.11Å; K560-T563 PolarHBondContact O-N 3.44Å; K560-Q564 WeakPolarHBondContact O-CB 3.49Å; K560-Q564 VanDerWaalsContact O-CG 3.26Å; K560-Q564 WeakPolarHBondContact O-CG 3.41Å; K560-Q564 PolarHBondContact O-N 2.94Å
561K57.8Low61Low79 Ų7960.2 Ų60.234%0.34330%0.3SS..Hα-helixtrans-70.3-41.8-178.2-166.767.8177.5-177.60111.9D556 S558 T563 Q564 L565D556-K561 HydrophobicContact CB-CB 4.28Å; D556-K561 HydrophobicContact CB-CG 4.38Å; D556-K561 WeakPolarHBondContact O-CB 3.23Å; S558-K561 PolarHBondContact O-N 3.36Å; S558-K561 PolarHBondContact OG-N 3.12Å; K561-T563 VanDerWaalsContact C-N 3.34Å; K561-T563 PolarHBondContact O-N 2.93Å; K561-Q564 PolarHBondContact O-N 3.4Å; K561-L565 HydrophobicContact CG-CD1 4.44Å; K561-L565 WeakPolarHBondContact O-CB 3.17Å; K561-L565 VanDerWaalsContact O-CG 3.28Å; K561-L565 WeakPolarHBondContact O-CG 3.34Å; K561-L565 PolarHBondContact O-N 3.28Å
562Q59.5Low59.6Low44 Ų4463 Ų6321%0.20631%0.314CS..Hα-helixtrans-64-37.3175.9-68.5-172.3-2.200112.6T557 S558 N566T557-Q562 PolarHBondContact O-NE2 2.65Å; S558-Q562 PolarHBondContact O-N 3.17Å; Q562-N566 PolarHBondContact O-N 2.86Å; Q562-N566 PolarHBondContact O-ND2 3.27Å; Q562-N566 VanDerWaalsContact O-ND2 3.14Å
563T54.6Low58Low48 Ų4866.2 Ų66.229%0.29433%0.33SS..Hα-helixtrans-74.3-38.5177-52.90000111.5M5 I559 K560 K561 N566 T567M5-T563 HydrophobicContact CE-CG2 4.48Å; M5-T563 HydrophobicContact SD-CG2 4.01Å; I559-T563 WeakPolarHBondContact O-CB 3.5Å; I559-T563 PolarHBondContact O-N 3.41Å; I559-T563 PolarHBondContact O-OG1 3.49Å; K560-T563 PolarHBondContact O-N 3.44Å; K561-T563 VanDerWaalsContact C-N 3.34Å; K561-T563 PolarHBondContact O-N 2.93Å; T563-N566 PolarHBondContact O-N 2.66Å; T563-T567 WeakPolarHBondContact O-CB 3.48Å; T563-T567 PolarHBondContact O-N 2.87Å; T563-T567 PolarHBondContact O-OG1 3.28Å
564Q56Low56.4Low69 Ų6969.3 Ų69.332%0.32235%0.346SS..Hα-helixtrans-59.1-47.7171.4-79.1177.2-7.900111.3M5 K560 K561 N566 T567 V568M5-Q564 HydrophobicContact CE-CG 4.08Å; K560-Q564 WeakPolarHBondContact O-CB 3.49Å; K560-Q564 VanDerWaalsContact O-CG 3.26Å; K560-Q564 WeakPolarHBondContact O-CG 3.41Å; K560-Q564 PolarHBondContact O-N 2.94Å; K561-Q564 PolarHBondContact O-N 3.4Å; Q564-N566 VanDerWaalsContact C-N 3.31Å; Q564-N566 PolarHBondContact O-N 3.47Å; Q564-T567 PolarHBondContact O-N 3.02Å; Q564-T567 VanDerWaalsContact O-N 3.11Å; Q564-V568 VanDerWaalsContact O-CG2 3.25Å; Q564-V568 WeakPolarHBondContact O-CG2 3.4Å; Q564-V568 PolarHBondContact O-N 3.21Å
565L55.1Low54.7Low30 Ų3070.6 Ų70.616%0.15735%0.354CS..Hα-helixtrans-55.5-48.5174.2-72.4169.2000110.2L555 K561 T567L555-L565 HydrophobicContact CD1-CD1 4.43Å; K561-L565 HydrophobicContact CG-CD1 4.44Å; K561-L565 WeakPolarHBondContact O-CB 3.17Å; K561-L565 VanDerWaalsContact O-CG 3.28Å; K561-L565 WeakPolarHBondContact O-CG 3.34Å; K561-L565 PolarHBondContact O-N 3.28Å; L565-T567 VanDerWaalsContact C-N 3.34Å; L565-T567 PolarHBondContact O-N 3.43Å
566N55Low53.1Low40 Ų4072.4 Ų72.421%0.21436%0.362CS..Hα-helixtrans-60.8-37.4176.2-76.8-37.5000114.1I29 Q562 T563 Q564 F570I29-N566 WeakPolarHBondContact CG2-OD1 3.5Å; Q562-N566 PolarHBondContact O-N 2.86Å; Q562-N566 PolarHBondContact O-ND2 3.27Å; Q562-N566 VanDerWaalsContact O-ND2 3.14Å; T563-N566 PolarHBondContact O-N 2.66Å; Q564-N566 VanDerWaalsContact C-N 3.31Å; Q564-N566 PolarHBondContact O-N 3.47Å; N566-F570 VanDerWaalsContact O-CD2 3.22Å; N566-F570 WeakPolarHBondContact O-CD2 3.37Å
567T50.7Low51.8Low61 Ų6174.3 Ų74.337%0.37437%0.371SS..Hα-helixtrans-77.8-35.1-174-45.90000112.3T563 Q564 L565 W569 F570T563-T567 WeakPolarHBondContact O-CB 3.48Å; T563-T567 PolarHBondContact O-N 2.87Å; T563-T567 PolarHBondContact O-OG1 3.28Å; Q564-T567 PolarHBondContact O-N 3.02Å; Q564-T567 VanDerWaalsContact O-N 3.11Å; L565-T567 VanDerWaalsContact C-N 3.34Å; L565-T567 PolarHBondContact O-N 3.43Å; T567-W569 PolarHBondContact O-N 3.49Å; T567-F570 PolarHBondContact O-N 3.3Å; T567-F570 VanDerWaalsContact O-N 3.15Å
568V46.1Very low50.6Low105 Ų10578.5 Ų78.564%0.63639%0.39SS*.Hα-helixtrans-63.3-20.4179172.10000112.3Q564Q564-V568 VanDerWaalsContact O-CG2 3.25Å; Q564-V568 WeakPolarHBondContact O-CG2 3.4Å; Q564-V568 PolarHBondContact O-N 3.21Å
569W37.9Very low50Low112 Ų11284.5 Ų84.542%0.42442%0.42SS..THydrogen-bonded Turntrans-95.3-8.3177.1-65.8109.1000115.1T567T567-W569 PolarHBondContact O-N 3.49Å
570F31.7Very low49.2Very low155 Ų15584.2 Ų84.268%0.6842%0.417SS*.THydrogen-bonded Turntrans-92.7-8.4175.2-83.6-70.7000113N566 T567N566-F570 VanDerWaalsContact O-CD2 3.22Å; N566-F570 WeakPolarHBondContact O-CD2 3.37Å; T567-F570 PolarHBondContact O-N 3.3Å; T567-F570 VanDerWaalsContact O-N 3.15Å
571N27.2Very low48.3Very low195 Ų19585.3 Ų85.3100%1.04343%0.427SS*.  trans-102.50162.5-68-17.7000108.8

Retrieved 571 of 571 residues in 1077.9 ms (Link to these results)

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