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4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)

Involved in the biosynthesis of the yellow-orange carotenoid staphyloxanthin, which plays a role in the virulence via its protective function against oxidative stress. Catalyzes three successive dehydrogenation reactions that lead to the introduction of three double bonds into 4,4'-diapophytoene (dehydrosqualene), with 4,4'-diapophytofluene and 4,4'-diapo-zeta-carotene as intermediates, and 4,4'-diaponeurosporene (the major deep-yellow pigment in staphylococci strains) as the end product.

AlphaFold DB , UniProt , Accession Q2FV60, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene crtN, Length 502 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
1M93.5Very high97.5Very high94 Ų9422.9 Ų22.946%0.46313%0.125SC..  0147.20-71.2-177.1179.200108.3I3 E25 D270 I498M1-I3 HydrophobicContact CB-CG1 4.35Å; M1-E25 PolarHBondContact O-N 2.75Å; M1-D270 VanDerWaalsContact C-OD2 3.32Å; M1-D270 WeakPolarHBondContact CA-OD2 3.48Å; M1-D270 HydrophobicContact CB-CB 4.03Å; M1-D270 VanDerWaalsContact CB-OD2 3.29Å; M1-D270 WeakPolarHBondContact CB-OD2 3.42Å; M1-D270 HydrophobicContact CG-CB 4.25Å; M1-D270 HydrophobicContact SD-CB 4.48Å; M1-I498 HydrophobicContact CE-CB 4.47Å; M1-I498 HydrophobicContact CE-CG1 4.41Å; M1-I498 HydrophobicContact CE-CG2 3.84Å; M1-I498 HydrophobicContact SD-CB 4.28Å; M1-I498 HydrophobicContact SD-CD1 3.95Å; M1-I498 HydrophobicContact SD-CG1 3.67Å; M1-I498 HydrophobicContact SD-CG2 3.83Å
2K97.8Very high97.6Very high100 Ų10021 Ų2144%0.43511%0.114SC..EExtended strand (participates in β ladder)trans-91.5119.2171-62-166.8176.1-152.60109E25 F269 D270K2-E25 CarbonylContact C-O 3.56Å; K2-E25 WeakPolarHBondContact CA-O 3.26Å; K2-E25 WeakPolarHBondContact CE-OE1 3.33Å; K2-E25 VanDerWaalsContact CE-OE2 3.3Å; K2-E25 WeakPolarHBondContact CE-OE2 3.35Å; K2-E25 HydrophobicContact CG-CB 4.48Å; K2-E25 IonicContact NZ-OE1 2.73Å; K2-E25 PolarHBondContact NZ-OE1 3.38Å; K2-E25 IonicContact NZ-OE2 3.66Å; K2-F269 HydrophobicContact CB-CD1 4.03Å; K2-D270 PolarHBondContact N-OD2 3.08Å; K2-D270 WeakPolarHBondContact O-CB 3.49Å; K2-D270 PolarHBondContact O-N 3.29Å
3I98.6Very high97.7Very high0 Ų019.4 Ų19.40%011%0.105CC..EExtended strand (participates in β ladder)trans-121125.7-175-60.5173000109.1M1 I19 H24 E25 V26 T27 K271 M494 I498M1-I3 HydrophobicContact CB-CG1 4.35Å; I3-I19 HydrophobicContact CB-CG2 4.38Å; I3-I19 HydrophobicContact CD1-CG2 3.4Å; I3-I19 VanDerWaalsContact CD1-CG2 3.4Å; I3-I19 HydrophobicContact CG1-CG2 4.43Å; I3-I19 HydrophobicContact CG2-CD1 4.26Å; I3-I19 HydrophobicContact CG2-CG2 4.45Å; I3-H24 HydrophobicContact CD1-CB 3.9Å; I3-E25 PolarHBondContact N-O 3.05Å; I3-V26 WeakPolarHBondContact O-CA 3.26Å; I3-T27 PolarHBondContact O-N 3.48Å; I3-K271 WeakPolarHBondContact CA-O 3.49Å; I3-K271 HydrophobicContact CG1-CB 4.34Å; I3-M494 HydrophobicContact CD1-SD 4.18Å; I3-M494 HydrophobicContact CG2-SD 4.18Å; I3-I498 HydrophobicContact CD1-CD1 4.06Å
4A98.7Very high97.8Very high0 Ų018 Ų180%010%0.098CC..EExtended strand (participates in β ladder)trans-90.1133171.700000110.1T27 F29 I260 F269 K271 I272 L273A4-T27 WeakPolarHBondContact CA-O 3.32Å; A4-F29 HydrophobicContact CB-CD2 4.37Å; A4-F29 HydrophobicContact CB-CE2 4.04Å; A4-I260 HydrophobicContact CB-CD1 4.34Å; A4-F269 HydrophobicContact CB-CB 4.17Å; A4-F269 HydrophobicContact CB-CD1 3.74Å; A4-F269 HydrophobicContact CB-CD2 3.66Å; A4-F269 HydrophobicContact CB-CE1 4Å; A4-F269 HydrophobicContact CB-CE2 3.92Å; A4-F269 HydrophobicContact CB-CG 3.57Å; A4-F269 HydrophobicContact CB-CZ 4.1Å; A4-K271 PolarHBondContact N-O 3.29Å; A4-I272 HydrophobicContact CB-CG1 4.4Å; A4-I272 WeakPolarHBondContact O-CA 3Å; A4-L273 PolarHBondContact O-N 3.09Å
5V98.8Very high97.8Very high0 Ų016.8 Ų16.80%09%0.091CC..EExtended strand (participates in β ladder)trans-113.2119.6168.2179.90000108.2A16 I19 V26 T27 I28 F29 L273 T275V5-A16 HydrophobicContact CG2-CB 4.09Å; V5-I19 HydrophobicContact CG2-CD1 4.44Å; V5-V26 HydrophobicContact CG2-CG1 3.77Å; V5-T27 PolarHBondContact N-O 3.12Å; V5-I28 HydrophobicContact CB-CG1 4.2Å; V5-I28 HydrophobicContact CG1-CG2 4.47Å; V5-I28 CarbonylContact O-C 3.55Å; V5-I28 VanDerWaalsContact O-CA 3.3Å; V5-I28 WeakPolarHBondContact O-CA 3.5Å; V5-F29 PolarHBondContact O-N 2.83Å; V5-L273 CarbonylContact C-O 3.37Å; V5-L273 VanDerWaalsContact CA-O 3.31Å; V5-L273 WeakPolarHBondContact CA-O 3.28Å; V5-L273 HydrophobicContact CG2-CB 4.32Å; V5-L273 HydrophobicContact CG2-CD2 4.39Å; V5-T275 HydrophobicContact CG1-CG2 4.32Å
6I98.2Very high97.9Very high7 Ų715.8 Ų15.84%0.0369%0.086CC..EExtended strand (participates in β ladder)trans-95.2117.2179.8-54.6171.6000108.6I245 I248 I260 I272 L273 C274 T275 A276I6-I245 HydrophobicContact CB-CG1 4.28Å; I6-I245 HydrophobicContact CD1-CG1 4.2Å; I6-I245 HydrophobicContact CD1-CG2 4.2Å; I6-I245 HydrophobicContact CG1-CG1 3.97Å; I6-I245 HydrophobicContact CG2-CB 4.16Å; I6-I245 HydrophobicContact CG2-CG1 3.52Å; I6-I248 HydrophobicContact CD1-CD1 3.99Å; I6-I248 HydrophobicContact CD1-CG1 3.9Å; I6-I260 HydrophobicContact CD1-CG2 4.02Å; I6-I272 HydrophobicContact CD1-CG2 3.66Å; I6-I272 HydrophobicContact CG1-CG2 4.2Å; I6-L273 PolarHBondContact N-O 3.14Å; I6-C274 HydrophobicContact CB-CB 4.44Å; I6-C274 HydrophobicContact CD1-CB 4.34Å; I6-T275 WeakPolarHBondContact O-CA 3.33Å; I6-T275 PolarHBondContact O-N 2.97Å; I6-T275 PolarHBondContact O-OG1 2.84Å; I6-A276 PolarHBondContact O-N 2.93Å
7G97.4Very high97.9Very high13 Ų1314.8 Ų14.813%0.1348%0.081CC..  trans95.9129.4-176.200000112.9F29 T275G7-F29 WeakPolarHBondContact CA-O 3.37Å; G7-F29 PolarHBondContact N-O 2.83Å; G7-T275 PolarHBondContact O-OG1 2.82Å
8A97.7Very high98Very high0 Ų014.9 Ų14.90%08%0.08CC..  trans-10131173.800000112.4L13 I28 E30 V35 G36A8-L13 HydrophobicContact CB-CD2 4.27Å; A8-L13 WeakPolarHBondContact O-CD1 3.36Å; A8-L13 WeakPolarHBondContact O-CG 3.21Å; A8-I28 HydrophobicContact CB-CG2 3.75Å; A8-E30 WeakPolarHBondContact CA-OE2 3.39Å; A8-E30 HydrophobicContact CB-CB 3.65Å; A8-E30 HydrophobicContact CB-CG 3.87Å; A8-E30 PolarHBondContact N-OE2 2.99Å; A8-V35 HydrophobicContact CB-CB 4.01Å; A8-V35 HydrophobicContact CB-CG1 3.83Å; A8-G36 WeakPolarHBondContact O-CA 3.31Å; A8-G36 PolarHBondContact O-N 3.49Å
9G96.5Very high98Very high17 Ų1714.2 Ų14.218%0.1758%0.076CC..BIsolated β-bridgetrans-64168.1163.100000111.5T11 G12 L13G9-T11 PolarHBondContact O-N 3.21Å; G9-G12 PolarHBondContact O-N 2.88Å; G9-L13 PolarHBondContact O-N 2.9Å
10V97.3Very high98Very high12 Ų1214 Ų147%0.0738%0.076CC..Hα-helixtrans-53-33.6179.7-71.30000114.3A14 M39 L228 V483 L484V10-A14 WeakPolarHBondContact O-CB 3.23Å; V10-A14 PolarHBondContact O-N 3.15Å; V10-M39 HydrophobicContact CG1-CB 4.05Å; V10-M39 HydrophobicContact CG1-CE 3.71Å; V10-M39 HydrophobicContact CG1-CG 4.28Å; V10-M39 HydrophobicContact CG1-SD 3.22Å; V10-M39 WeakPolarHBondContact CG1-SD 3.08Å; V10-L228 HydrophobicContact CB-CD1 4.18Å; V10-L228 HydrophobicContact CG1-CD1 4.2Å; V10-V483 HydrophobicContact CG2-CG2 3.88Å; V10-L484 HydrophobicContact CB-CD2 4.29Å
11T98.1Very high98Very high9 Ų915.1 Ų15.16%0.0559%0.085CC..Hα-helixtrans-63.5-49.1173.4-57.70000112G9 A14 A15 T275 A470 V483 A487G9-T11 PolarHBondContact O-N 3.21Å; T11-A14 PolarHBondContact O-N 2.92Å; T11-A15 WeakPolarHBondContact O-CB 3.11Å; T11-A15 PolarHBondContact O-N 2.65Å; T11-T275 HydrophobicContact CG2-CG2 3.91Å; T11-A470 HydrophobicContact CG2-CB 3.43Å; T11-A470 VanDerWaalsContact CG2-CB 3.43Å; T11-V483 VanDerWaalsContact OG1-CB 3.29Å; T11-V483 WeakPolarHBondContact OG1-CB 3.5Å; T11-V483 PolarHBondContact OG1-O 2.87Å; T11-A487 HydrophobicContact CG2-CB 3.98Å; T11-A487 WeakPolarHBondContact O-CB 3.31Å
12G98.5Very high98.2Very high0 Ų016 Ų160%09%0.088CC..Hα-helixtrans-64.2-45.4179.400000111.8G9 A15 A16G9-G12 PolarHBondContact O-N 2.88Å; G12-A15 PolarHBondContact O-N 2.9Å; G12-A16 WeakPolarHBondContact O-CB 3.31Å; G12-A16 PolarHBondContact O-N 3.41Å
13L98.7Very high98.2Very high0 Ų014.4 Ų14.40%010%0.101CC..Hα-helixtrans-61.8-46.2176-65.4170000111.9A8 G9 A17 I28 V35 L228 N232 I239A8-L13 HydrophobicContact CB-CD2 4.27Å; A8-L13 WeakPolarHBondContact O-CD1 3.36Å; A8-L13 WeakPolarHBondContact O-CG 3.21Å; G9-L13 PolarHBondContact O-N 2.9Å; L13-A17 WeakPolarHBondContact O-CB 3.24Å; L13-A17 PolarHBondContact O-N 3.15Å; L13-A17 VanDerWaalsContact O-N 3.08Å; L13-I28 HydrophobicContact CD2-CD1 3.94Å; L13-V35 HydrophobicContact CD1-CB 4.26Å; L13-V35 HydrophobicContact CD1-CG2 4.45Å; L13-V35 HydrophobicContact CD2-CB 4.44Å; L13-V35 HydrophobicContact CD2-CG1 4.41Å; L13-L228 HydrophobicContact CB-CB 3.81Å; L13-L228 HydrophobicContact CB-CD1 4.01Å; L13-L228 HydrophobicContact CD1-CB 4.09Å; L13-N232 PolarHBondContact O-ND2 3.01Å; L13-I239 HydrophobicContact CD2-CD1 4.23Å
14A98.8Very high98.2Very high0 Ų016.2 Ų16.20%011%0.109CC..Hα-helixtrans-65.9-39.4178.200000112.2V10 T11 R18 V65 L228 L484 A487V10-A14 WeakPolarHBondContact O-CB 3.23Å; V10-A14 PolarHBondContact O-N 3.15Å; T11-A14 PolarHBondContact O-N 2.92Å; A14-R18 VanDerWaalsContact O-CG 3.28Å; A14-R18 WeakPolarHBondContact O-CG 3.36Å; A14-R18 PolarHBondContact O-N 3.44Å; A14-V65 HydrophobicContact CB-CG1 3.72Å; A14-V65 HydrophobicContact CB-CG2 4.09Å; A14-L228 HydrophobicContact CB-CD1 4.39Å; A14-L484 HydrophobicContact CB-CD2 3.68Å; A14-A487 HydrophobicContact CB-CB 4.06Å
15A98.7Very high98.2Very high0 Ų021.1 Ų21.10%013%0.132CC..Hα-helixtrans-68.2-46.317800000111.8T11 G12 A17 R18 I19 L273 A487 V491T11-A15 WeakPolarHBondContact O-CB 3.11Å; T11-A15 PolarHBondContact O-N 2.65Å; G12-A15 PolarHBondContact O-N 2.9Å; A15-A17 VanDerWaalsContact C-N 3.34Å; A15-A17 PolarHBondContact O-N 3.01Å; A15-R18 PolarHBondContact O-N 2.81Å; A15-I19 WeakPolarHBondContact O-CB 3.38Å; A15-I19 WeakPolarHBondContact O-CD1 3.34Å; A15-I19 WeakPolarHBondContact O-CG1 3.44Å; A15-I19 PolarHBondContact O-N 3.38Å; A15-L273 HydrophobicContact CB-CD2 3.35Å; A15-A487 HydrophobicContact CB-CB 3.99Å; A15-V491 HydrophobicContact CB-CG2 3.72Å
16A98.8Very high98.2Very high0 Ų021.3 Ų21.30%013%0.133CC..Hα-helixtrans-59-44.2178.300000112V5 G12 R18 I19 A20 V26 I28 N232 V237V5-A16 HydrophobicContact CG2-CB 4.09Å; G12-A16 WeakPolarHBondContact O-CB 3.31Å; G12-A16 PolarHBondContact O-N 3.41Å; A16-R18 PolarHBondContact O-N 3Å; A16-I19 PolarHBondContact O-N 3.27Å; A16-A20 VanDerWaalsContact O-CB 3.3Å; A16-A20 WeakPolarHBondContact O-CB 3.4Å; A16-A20 PolarHBondContact O-N 2.8Å; A16-V26 HydrophobicContact CB-CG1 3.79Å; A16-I28 HydrophobicContact CB-CD1 3.4Å; A16-I28 HydrophobicContact CB-CG1 3.66Å; A16-N232 WeakPolarHBondContact CB-OD1 3.39Å; A16-V237 HydrophobicContact CB-CG1 4.3Å
17A98.8Very high98.2Very high0 Ų021.6 Ų21.60%014%0.135CC..Hα-helixtrans-59.5-48.3175.400000111.6L13 A15 I19 A20 S21 L231 N232 L235L13-A17 WeakPolarHBondContact O-CB 3.24Å; L13-A17 PolarHBondContact O-N 3.15Å; L13-A17 VanDerWaalsContact O-N 3.08Å; A15-A17 VanDerWaalsContact C-N 3.34Å; A15-A17 PolarHBondContact O-N 3.01Å; A17-I19 VanDerWaalsContact C-N 3.32Å; A17-I19 PolarHBondContact O-N 3.14Å; A17-A20 PolarHBondContact O-N 3.11Å; A17-S21 WeakPolarHBondContact O-CB 3.44Å; A17-S21 PolarHBondContact O-N 2.73Å; A17-L231 HydrophobicContact CB-CD2 3.67Å; A17-L231 HydrophobicContact CB-CG 3.95Å; A17-N232 PolarHBondContact N-OD1 3.4Å; A17-N232 VanDerWaalsContact N-OD1 3.13Å; A17-L235 HydrophobicContact CB-CD1 3.9Å; A17-L235 WeakPolarHBondContact O-CD1 3.19Å
18R98.6Very high98.2Very high17 Ų1721 Ų216%0.06413%0.129CC..Hα-helixtrans-62.8-36.4177.8-71.2173.1-179.4-84.7-0.8112.9A14 A15 A16 S21 Q22 D64 V491A14-R18 VanDerWaalsContact O-CG 3.28Å; A14-R18 WeakPolarHBondContact O-CG 3.36Å; A14-R18 PolarHBondContact O-N 3.44Å; A15-R18 PolarHBondContact O-N 2.81Å; A16-R18 PolarHBondContact O-N 3Å; R18-S21 PolarHBondContact O-OG 3.34Å; R18-Q22 WeakPolarHBondContact O-CG 3.47Å; R18-D64 IonicContact CZ-OD2 2.77Å; R18-D64 IonicContact NH1-OD2 3.1Å; R18-D64 PolarHBondContact NH2-O 3.2Å; R18-D64 IonicContact NH2-OD2 3.8Å; R18-D64 PolarHBondContact NH2-OD2 3.34Å; R18-V491 HydrophobicContact CB-CB 4.42Å; R18-V491 HydrophobicContact CB-CG1 3.92Å; R18-V491 HydrophobicContact CB-CG2 4.33Å
19I98.5Very high98.3Very high0 Ų021.1 Ų21.10%013%0.129CC..Hα-helixtrans-70.4-46.1177.5-68.5162.5000110.2I3 V5 A15 A16 A17 S21 Q22 H24 V26 L273 V491 M494I3-I19 HydrophobicContact CB-CG2 4.38Å; I3-I19 HydrophobicContact CD1-CG2 3.4Å; I3-I19 VanDerWaalsContact CD1-CG2 3.4Å; I3-I19 HydrophobicContact CG1-CG2 4.43Å; I3-I19 HydrophobicContact CG2-CD1 4.26Å; I3-I19 HydrophobicContact CG2-CG2 4.45Å; V5-I19 HydrophobicContact CG2-CD1 4.44Å; A15-I19 WeakPolarHBondContact O-CB 3.38Å; A15-I19 WeakPolarHBondContact O-CD1 3.34Å; A15-I19 WeakPolarHBondContact O-CG1 3.44Å; A15-I19 PolarHBondContact O-N 3.38Å; A16-I19 PolarHBondContact O-N 3.27Å; A17-I19 VanDerWaalsContact C-N 3.32Å; A17-I19 PolarHBondContact O-N 3.14Å; I19-S21 VanDerWaalsContact C-N 3.33Å; I19-S21 PolarHBondContact O-N 3.46Å; I19-Q22 WeakPolarHBondContact O-CB 3.39Å; I19-Q22 PolarHBondContact O-N 2.98Å; I19-Q22 VanDerWaalsContact O-N 3.11Å; I19-H24 HydrophobicContact CG2-CB 3.83Å; I19-V26 HydrophobicContact CB-CG2 3.95Å; I19-V26 HydrophobicContact CG2-CG2 3.42Å; I19-V26 VanDerWaalsContact CG2-CG2 3.42Å; I19-L273 HydrophobicContact CD1-CD2 4.1Å; I19-V491 HydrophobicContact CD1-CG2 3.95Å; I19-V491 HydrophobicContact CG1-CB 4.38Å; I19-V491 HydrophobicContact CG1-CG1 3.76Å; I19-V491 HydrophobicContact CG1-CG2 3.73Å; I19-M494 HydrophobicContact CD1-CE 4.44Å; I19-M494 HydrophobicContact CD1-SD 3.96Å; I19-M494 HydrophobicContact CG1-SD 4.43Å
20A98.6Very high98.3Very high11 Ų1120.7 Ų20.79%0.09112%0.123CC..Hα-helixtrans-64.8-36.6-179.900000112.1A16 A17 Q22 G23 V26 L235 V237A16-A20 VanDerWaalsContact O-CB 3.3Å; A16-A20 WeakPolarHBondContact O-CB 3.4Å; A16-A20 PolarHBondContact O-N 2.8Å; A17-A20 PolarHBondContact O-N 3.11Å; A20-Q22 PolarHBondContact O-N 3.45Å; A20-Q22 VanDerWaalsContact O-N 3.15Å; A20-G23 PolarHBondContact O-N 3.3Å; A20-V26 HydrophobicContact CB-CG2 4.06Å; A20-L235 HydrophobicContact CB-CB 4.01Å; A20-V237 HydrophobicContact CB-CG2 3.39Å
21S98.1Very high98.1Very high37 Ų3722.9 Ų22.926%0.25913%0.131SC..THydrogen-bonded Turntrans-65.1-15.5175.377.90000113.6A17 R18 I19 G23A17-S21 WeakPolarHBondContact O-CB 3.44Å; A17-S21 PolarHBondContact O-N 2.73Å; R18-S21 PolarHBondContact O-OG 3.34Å; I19-S21 VanDerWaalsContact C-N 3.33Å; I19-S21 PolarHBondContact O-N 3.46Å; S21-G23 VanDerWaalsContact C-N 3.33Å
22Q97.3Very high97.9Very high112 Ų11224.1 Ų24.152%0.52314%0.138SC..THydrogen-bonded Turntrans-90.48.9170.9-57.5-59.5-41.900113.1R18 I19 A20 I495R18-Q22 WeakPolarHBondContact O-CG 3.47Å; I19-Q22 WeakPolarHBondContact O-CB 3.39Å; I19-Q22 PolarHBondContact O-N 2.98Å; I19-Q22 VanDerWaalsContact O-N 3.11Å; A20-Q22 PolarHBondContact O-N 3.45Å; A20-Q22 VanDerWaalsContact O-N 3.15Å; Q22-I495 HydrophobicContact CB-CD1 4Å; Q22-I495 HydrophobicContact CG-CD1 3.95Å; Q22-I495 HydrophobicContact CG-CG1 4.25Å
23G97.3Very high97.6Very high68 Ų6829.6 Ų29.670%0.70117%0.167SC*.THydrogen-bonded Turntrans83.625.2175.300000114.7A20 S21A20-G23 PolarHBondContact O-N 3.3Å; S21-G23 VanDerWaalsContact C-N 3.33Å
24H98.1Very high97.4Very high37 Ų3731.3 Ų31.317%0.17118%0.176CC..  trans-100.7149.8175.7-60.4-38.9000112.2I3 I19 I498I3-H24 HydrophobicContact CD1-CB 3.9Å; I19-H24 HydrophobicContact CG2-CB 3.83Å; H24-I498 WeakPolarHBondContact NE2-CD1 3.38Å
25E98.5Very high97.4Very high104 Ų10432.1 Ų32.149%0.48618%0.181SC..EExtended strand (participates in β ladder)trans-81.7119.5174.8-178-174.2153.200108.2M1 K2 I3M1-E25 PolarHBondContact O-N 2.75Å; K2-E25 CarbonylContact C-O 3.56Å; K2-E25 WeakPolarHBondContact CA-O 3.26Å; K2-E25 WeakPolarHBondContact CE-OE1 3.33Å; K2-E25 VanDerWaalsContact CE-OE2 3.3Å; K2-E25 WeakPolarHBondContact CE-OE2 3.35Å; K2-E25 HydrophobicContact CG-CB 4.48Å; K2-E25 IonicContact NZ-OE1 2.73Å; K2-E25 PolarHBondContact NZ-OE1 3.38Å; K2-E25 IonicContact NZ-OE2 3.66Å; I3-E25 PolarHBondContact N-O 3.05Å
26V98.8Very high97.2Very high4 Ų432.1 Ų32.12%0.02418%0.181CC..EExtended strand (participates in β ladder)trans-120.7134.3-175.4-172.70000110.5I3 V5 A16 I19 A20 V237 N238I3-V26 WeakPolarHBondContact O-CA 3.26Å; V5-V26 HydrophobicContact CG2-CG1 3.77Å; A16-V26 HydrophobicContact CB-CG1 3.79Å; I19-V26 HydrophobicContact CB-CG2 3.95Å; I19-V26 HydrophobicContact CG2-CG2 3.42Å; I19-V26 VanDerWaalsContact CG2-CG2 3.42Å; A20-V26 HydrophobicContact CB-CG2 4.06Å; V26-V237 HydrophobicContact CB-CG1 4.09Å; V26-V237 HydrophobicContact CB-CG2 4.16Å; V26-V237 HydrophobicContact CG1-CG1 4.09Å; V26-N238 PolarHBondContact O-N 3.02Å; V26-N238 VanDerWaalsContact O-N 3.1Å
27T98.7Very high96.9Very high13 Ų1332.7 Ų32.78%0.0819%0.187CC..EExtended strand (participates in β ladder)trans-121.6125166.9-56.30000109.8I3 A4 V5 F29 N238 E240I3-T27 PolarHBondContact O-N 3.48Å; A4-T27 WeakPolarHBondContact CA-O 3.32Å; V5-T27 PolarHBondContact N-O 3.12Å; T27-F29 HydrophobicContact CG2-CD2 4.27Å; T27-F29 HydrophobicContact CG2-CE1 3.95Å; T27-F29 HydrophobicContact CG2-CE2 3.59Å; T27-F29 HydrophobicContact CG2-CZ 3.41Å; T27-F29 VanDerWaalsContact CG2-CZ 3.41Å; T27-N238 CarbonylContact C-O 3.59Å; T27-N238 VanDerWaalsContact CA-O 3.3Å; T27-N238 WeakPolarHBondContact CA-O 3.41Å; T27-N238 HydrophobicContact CG2-CB 4.2Å; T27-E240 HydrophobicContact CG2-CG 4.21Å
28I98.8Very high96.6Very high0 Ų035.3 Ų35.30%020%0.197CC..EExtended strand (participates in β ladder)trans-94.6133.1172.8-50.1-179.1000108.7V5 A8 L13 A16 V237 N238 I239 E240V5-I28 HydrophobicContact CB-CG1 4.2Å; V5-I28 HydrophobicContact CG1-CG2 4.47Å; V5-I28 CarbonylContact O-C 3.55Å; V5-I28 VanDerWaalsContact O-CA 3.3Å; V5-I28 WeakPolarHBondContact O-CA 3.5Å; A8-I28 HydrophobicContact CB-CG2 3.75Å; L13-I28 HydrophobicContact CD2-CD1 3.94Å; A16-I28 HydrophobicContact CB-CD1 3.4Å; A16-I28 HydrophobicContact CB-CG1 3.66Å; I28-V237 HydrophobicContact CD1-CG1 3.93Å; I28-V237 HydrophobicContact CG1-CG1 3.75Å; I28-N238 PolarHBondContact N-O 3.34Å; I28-I239 HydrophobicContact CB-CG1 4.39Å; I28-I239 HydrophobicContact CB-CG2 4.41Å; I28-I239 HydrophobicContact CD1-CD1 4.29Å; I28-I239 HydrophobicContact CD1-CG1 4.07Å; I28-I239 HydrophobicContact CG1-CG1 4.43Å; I28-E240 PolarHBondContact O-N 3.34Å
29F98.4Very high96.4Very high2 Ų234.8 Ų34.81%0.00920%0.195CC..EExtended strand (participates in β ladder)trans-112.3121.8174.8-62.9-84.6000110A4 V5 G7 T27 E240 A243 I245 I260 V262 F269A4-F29 HydrophobicContact CB-CD2 4.37Å; A4-F29 HydrophobicContact CB-CE2 4.04Å; V5-F29 PolarHBondContact O-N 2.83Å; G7-F29 WeakPolarHBondContact CA-O 3.37Å; G7-F29 PolarHBondContact N-O 2.83Å; T27-F29 HydrophobicContact CG2-CD2 4.27Å; T27-F29 HydrophobicContact CG2-CE1 3.95Å; T27-F29 HydrophobicContact CG2-CE2 3.59Å; T27-F29 HydrophobicContact CG2-CZ 3.41Å; T27-F29 VanDerWaalsContact CG2-CZ 3.41Å; F29-E240 HydrophobicContact CD1-CB 4.12Å; F29-E240 HydrophobicContact CE1-CB 4.36Å; F29-A243 HydrophobicContact CB-CB 4.35Å; F29-A243 HydrophobicContact CD1-CB 3.93Å; F29-I245 HydrophobicContact CB-CD1 3.73Å; F29-I245 HydrophobicContact CB-CG1 4.26Å; F29-I245 HydrophobicContact CD1-CD1 4.36Å; F29-I245 HydrophobicContact CD2-CD1 4.45Å; F29-I245 HydrophobicContact CG-CD1 3.93Å; F29-I260 HydrophobicContact CD1-CD1 4.28Å; F29-I260 HydrophobicContact CD2-CD1 3.52Å; F29-I260 HydrophobicContact CE1-CD1 4.06Å; F29-I260 HydrophobicContact CE2-CD1 3.26Å; F29-I260 HydrophobicContact CG-CD1 4.03Å; F29-I260 HydrophobicContact CZ-CD1 3.56Å; F29-V262 HydrophobicContact CD1-CG1 4.43Å; F29-V262 HydrophobicContact CD1-CG2 4.09Å; F29-V262 HydrophobicContact CE1-CG1 4.16Å; F29-F269 HydrophobicContact CE2-CE1 4.45Å; F29-F269 AromaticContact CE2-CE2 3.96Å; F29-F269 HydrophobicContact CE2-CE2 3.96Å; F29-F269 AromaticContact CE2-CZ 3.65Å; F29-F269 HydrophobicContact CE2-CZ 3.65Å; F29-F269 HydrophobicContact CZ-CE2 4.04Å; F29-F269 AromaticContact CZ-CZ 3.67Å; F29-F269 HydrophobicContact CZ-CZ 3.67Å
30E97Very high96.1Very high8 Ų835.7 Ų35.74%0.03720%0.2CC..EExtended strand (participates in β ladder)trans-125.5127.4-178.9174.150.4-120.100110.3A8 N32 N34 E240 L241 N242 A243A8-E30 WeakPolarHBondContact CA-OE2 3.39Å; A8-E30 HydrophobicContact CB-CB 3.65Å; A8-E30 HydrophobicContact CB-CG 3.87Å; A8-E30 PolarHBondContact N-OE2 2.99Å; E30-N32 VanDerWaalsContact C-N 3.28Å; E30-N32 HydrophobicContact CG-CB 4.32Å; E30-N32 PolarHBondContact O-N 3.01Å; E30-N32 WeakPolarHBondContact OE1-CB 3.27Å; E30-N32 VanDerWaalsContact OE1-CG 3.32Å; E30-N32 PolarHBondContact OE1-N 3.4Å; E30-N32 PolarHBondContact OE1-ND2 3.32Å; E30-N34 WeakPolarHBondContact CG-O 3.1Å; E30-E240 PolarHBondContact N-O 2.92Å; E30-L241 HydrophobicContact CB-CD2 3.93Å; E30-L241 HydrophobicContact CG-CD2 3.96Å; E30-L241 CarbonylContact O-C 3.54Å; E30-L241 WeakPolarHBondContact O-CA 3.4Å; E30-N242 PolarHBondContact O-N 3.49Å; E30-A243 PolarHBondContact O-N 3.25Å
31K93.8Very high96Very high59 Ų5936.4 Ų36.426%0.25720%0.201SC..SBendtrans-67.5-31-178.673.7179.7-171.975.80112.3N242 E244 T434 H436K31-N242 WeakPolarHBondContact O-CA 3.03Å; K31-E244 HydrophobicContact CB-CB 3.88Å; K31-E244 HydrophobicContact CB-CG 4.03Å; K31-T434 WeakPolarHBondContact CE-O 3.36Å; K31-T434 PolarHBondContact NZ-O 3.13Å; K31-H436 VanDerWaalsContact CD-NE2 3.32Å; K31-H436 WeakPolarHBondContact CD-NE2 3.33Å; K31-H436 VanDerWaalsContact CE-CD2 3.45Å; K31-H436 WeakPolarHBondContact CE-CD2 3.49Å; K31-H436 VanDerWaalsContact CE-NE2 3.27Å; K31-H436 WeakPolarHBondContact CE-NE2 3.35Å
32N92.3Very high95.8Very high35 Ų3536.4 Ų36.419%0.18720%0.198CC..SBendtrans-85.1169.4-177.4-55.7-55.4000111.5E30 N34 N242E30-N32 VanDerWaalsContact C-N 3.28Å; E30-N32 HydrophobicContact CG-CB 4.32Å; E30-N32 PolarHBondContact O-N 3.01Å; E30-N32 WeakPolarHBondContact OE1-CB 3.27Å; E30-N32 VanDerWaalsContact OE1-CG 3.32Å; E30-N32 PolarHBondContact OE1-N 3.4Å; E30-N32 PolarHBondContact OE1-ND2 3.32Å; N32-N34 PolarHBondContact O-N 3.26Å; N32-N242 PolarHBondContact O-N 3.26Å
33N93.9Very high95.8Very high115 Ų11537.9 Ų37.962%0.61520%0.203SC*.SBendtrans-80.94.2177.469-3.1000113.6L241 N242N33-L241 WeakPolarHBondContact O-CD1 3.33Å; N33-N242 WeakPolarHBondContact CB-OD1 3.28Å
34N94.5Very high95.8Very high35 Ų3538.3 Ų38.319%0.18719%0.186CC..SBendtrans-151.2161.7179.376.6-58000111.4E30 N32 N40 Y222E30-N34 WeakPolarHBondContact CG-O 3.1Å; N32-N34 PolarHBondContact O-N 3.26Å; N34-N40 VanDerWaalsContact ND2-CG 3.29Å; N34-N40 PolarHBondContact ND2-ND2 3.32Å; N34-N40 VanDerWaalsContact ND2-ND2 3.19Å; N34-N40 PolarHBondContact ND2-OD1 2.91Å; N34-N40 PolarHBondContact OD1-ND2 2.9Å; N34-Y222 PolarHBondContact ND2-OH 3.43Å
35V96.9Very high95.8Very high17 Ų1741.4 Ų41.410%0.10320%0.204CC..SBendtrans-86.2173.1178.7-58.10000111.7A8 L13 Y222 A229 I239 L241A8-V35 HydrophobicContact CB-CB 4.01Å; A8-V35 HydrophobicContact CB-CG1 3.83Å; L13-V35 HydrophobicContact CD1-CB 4.26Å; L13-V35 HydrophobicContact CD1-CG2 4.45Å; L13-V35 HydrophobicContact CD2-CB 4.44Å; L13-V35 HydrophobicContact CD2-CG1 4.41Å; V35-Y222 WeakPolarHBondContact O-CE2 3.38Å; V35-A229 HydrophobicContact CG2-CB 3.91Å; V35-I239 HydrophobicContact CG1-CG2 3.96Å; V35-L241 HydrophobicContact CG1-CD2 3.94Å
36G95Very high95.7Very high1 Ų139.1 Ų39.11%0.0121%0.207CC..BIsolated β-bridgetrans109.6-22.4171.400000114.4A8 R38 M39A8-G36 WeakPolarHBondContact O-CA 3.31Å; A8-G36 PolarHBondContact O-N 3.49Å; G36-R38 PolarHBondContact O-N 2.67Å; G36-M39 CarbonylContact C-O 3.57Å; G36-M39 VanDerWaalsContact CA-O 3.26Å; G36-M39 WeakPolarHBondContact CA-O 3.27Å; G36-M39 WeakPolarHBondContact O-CB 3.44Å; G36-M39 PolarHBondContact O-N 3Å
37G92.4Very high95.7Very high12 Ų1239 Ų3912%0.12421%0.206CC..THydrogen-bonded Turntrans60.4-120.118000000111.1M39 N40 Y435G37-M39 VanDerWaalsContact C-N 3.3Å; G37-N40 VanDerWaalsContact O-CB 3.31Å; G37-N40 WeakPolarHBondContact O-CB 3.3Å; G37-Y435 VanDerWaalsContact O-CE1 3.23Å; G37-Y435 WeakPolarHBondContact O-CE1 3.44Å
38R92.2Very high95.6Very high55 Ų5539.2 Ų39.221%0.20821%0.208CC..THydrogen-bonded Turntrans-73.2-20.8174.8-65.8179.7-171.7143.65.4113.5G36 N40 G52 P53 D277 Y435G36-R38 PolarHBondContact O-N 2.67Å; R38-N40 VanDerWaalsContact C-N 3.28Å; R38-N40 PolarHBondContact O-N 2.68Å; R38-N40 VanDerWaalsContact O-N 3.15Å; R38-G52 WeakPolarHBondContact O-CA 3.14Å; R38-G52 PolarHBondContact O-N 3.2Å; R38-P53 WeakPolarHBondContact O-CD 3.36Å; R38-D277 IonicContact NH2-OD1 2.92Å; R38-Y435 HydrophobicContact CG-CD1 3.9Å; R38-Y435 HydrophobicContact CG-CD2 3.99Å; R38-Y435 HydrophobicContact CG-CE1 4.15Å; R38-Y435 HydrophobicContact CG-CE2 4.2Å; R38-Y435 HydrophobicContact CG-CG 3.82Å
39M94.8Very high95.6Very high5 Ų539.3 Ų39.33%0.02521%0.208CC..SBendtrans-85.977.9170-177.7-176.4-7800107.6V10 G36 G37 P53 M221 Y222 M224 A225 V480V10-M39 HydrophobicContact CG1-CB 4.05Å; V10-M39 HydrophobicContact CG1-CE 3.71Å; V10-M39 HydrophobicContact CG1-CG 4.28Å; V10-M39 HydrophobicContact CG1-SD 3.22Å; V10-M39 WeakPolarHBondContact CG1-SD 3.08Å; G36-M39 CarbonylContact C-O 3.57Å; G36-M39 VanDerWaalsContact CA-O 3.26Å; G36-M39 WeakPolarHBondContact CA-O 3.27Å; G36-M39 WeakPolarHBondContact O-CB 3.44Å; G36-M39 PolarHBondContact O-N 3Å; G37-M39 VanDerWaalsContact C-N 3.3Å; M39-P53 HydrophobicContact CB-CG 4.14Å; M39-P53 HydrophobicContact CE-CG 4.14Å; M39-P53 HydrophobicContact CG-CG 4.33Å; M39-M221 HydrophobicContact CE-CB 4.43Å; M39-M221 HydrophobicContact CE-CE 3.56Å; M39-M221 HydrophobicContact CE-SD 4.13Å; M39-M221 HydrophobicContact CG-CB 4.14Å; M39-M221 VanDerWaalsContact CG-O 3.31Å; M39-M221 WeakPolarHBondContact CG-O 3.43Å; M39-Y222 VanDerWaalsContact O-CD2 3.3Å; M39-Y222 WeakPolarHBondContact O-CD2 3.05Å; M39-M224 HydrophobicContact CE-CB 4.25Å; M39-M224 HydrophobicContact CE-CG 4.36Å; M39-M224 HydrophobicContact SD-CB 3.69Å; M39-M224 HydrophobicContact SD-CG 4.08Å; M39-A225 HydrophobicContact CG-CB 4.27Å; M39-A225 HydrophobicContact SD-CB 4.06Å; M39-V480 HydrophobicContact CE-CG1 3.75Å; M39-V480 HydrophobicContact CE-CG2 3.92Å
40N93.5Very high95.5Very high20 Ų2039.3 Ų39.311%0.10721%0.209CC..  trans-134.1174.7-175-158.5-9.2000110.2N34 G37 R38 M51N34-N40 VanDerWaalsContact ND2-CG 3.29Å; N34-N40 PolarHBondContact ND2-ND2 3.32Å; N34-N40 VanDerWaalsContact ND2-ND2 3.19Å; N34-N40 PolarHBondContact ND2-OD1 2.91Å; N34-N40 PolarHBondContact OD1-ND2 2.9Å; G37-N40 VanDerWaalsContact O-CB 3.31Å; G37-N40 WeakPolarHBondContact O-CB 3.3Å; R38-N40 VanDerWaalsContact C-N 3.28Å; R38-N40 PolarHBondContact O-N 2.68Å; R38-N40 VanDerWaalsContact O-N 3.15Å; N40-M51 PolarHBondContact O-N 3.05Å
41Q95.2Very high95.3Very high25 Ų2540 Ų4012%0.11721%0.212CC..EExtended strand (participates in β ladder)trans-125.3140.1-179.3-87.4173.7-5.600113.2T48 F49 D50 G219 Y222Q41-T48 HydrophobicContact CB-CG2 4.21Å; Q41-T48 HydrophobicContact CG-CG2 3.83Å; Q41-T48 VanDerWaalsContact OE1-CG2 3.32Å; Q41-F49 CarbonylContact C-O 3.54Å; Q41-F49 WeakPolarHBondContact CA-O 3.38Å; Q41-D50 PolarHBondContact NE2-OD1 3.11Å; Q41-G219 PolarHBondContact NE2-O 3.34Å; Q41-Y222 HydrophobicContact CB-CD1 4.43Å; Q41-Y222 HydrophobicContact CB-CG 4.38Å; Q41-Y222 HydrophobicContact CG-CD1 4.22Å; Q41-Y222 HydrophobicContact CG-CG 3.98Å
42L95.1Very high95Very high37 Ų3738.2 Ų38.219%0.19421%0.21CC..EExtended strand (participates in β ladder)trans-95.1122.7162.9175.366000108.2T48 F49 M51 Y313 T424L42-T48 WeakPolarHBondContact O-CA 3.47Å; L42-F49 HydrophobicContact CB-CB 4.46Å; L42-F49 HydrophobicContact CD2-CD2 4.3Å; L42-F49 HydrophobicContact CG-CD2 4.43Å; L42-F49 PolarHBondContact N-O 3.18Å; L42-F49 PolarHBondContact O-N 2.85Å; L42-M51 HydrophobicContact CB-CG 3.91Å; L42-M51 HydrophobicContact CB-SD 4.09Å; L42-Y313 HydrophobicContact CD2-CD1 4.46Å; L42-Y313 HydrophobicContact CD2-CD2 3.63Å; L42-Y313 HydrophobicContact CD2-CE2 4.16Å; L42-Y313 HydrophobicContact CD2-CG 3.8Å; L42-T424 HydrophobicContact CD2-CG2 3.75Å
43K96.7Very high95Very high143 Ų14338.2 Ų38.262%0.62221%0.212SC*.EExtended strand (participates in β ladder)trans-112.4115.6172-65.5-173.4177.7-175.10109.4F47 T48K43-F47 WeakPolarHBondContact CA-O 3.33Å; K43-T48 HydrophobicContact CG-CG2 4.09Å
44K97.4Very high95Very high78 Ų7833.3 Ų33.334%0.33919%0.187SC..EExtended strand (participates in β ladder)trans-148.7134.8-176.3-169.6-173.9174.6175.60110.2G46 F47 E423 T424K44-G46 PolarHBondContact O-N 2.92Å; K44-F47 PolarHBondContact N-O 2.9Å; K44-F47 WeakPolarHBondContact O-CB 3.39Å; K44-F47 PolarHBondContact O-N 2.99Å; K44-E423 PolarHBondContact NZ-O 2.97Å; K44-T424 WeakPolarHBondContact CD-OG1 3.36Å; K44-T424 PolarHBondContact NZ-OG1 2.9Å; K44-T424 VanDerWaalsContact NZ-OG1 3.1Å
45D97.4Very high94.9Very high102 Ų10232.6 Ų32.655%0.54518%0.183SC..THydrogen-bonded Turntrans51.929.6176.5-50.8-39.4000114.5F47 S422D45-F47 VanDerWaalsContact C-N 3.35Å; D45-F47 HydrophobicContact CB-CD2 4.27Å; D45-F47 WeakPolarHBondContact O-CD2 3.43Å; D45-S422 VanDerWaalsContact OD2-CB 3.24Å; D45-S422 WeakPolarHBondContact OD2-CB 3.47Å; D45-S422 PolarHBondContact OD2-OG 3.42Å
46G97Very high94.8Very high55 Ų5531.9 Ų31.957%0.56718%0.178SC*.THydrogen-bonded Turntrans87.3-10-177.500000115.4K44K44-G46 PolarHBondContact O-N 2.92Å
47F98.3Very high94.6Very high1 Ų133.3 Ų33.30%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-84.9148.4174.6-58-88.8000111.4K43 K44 D45 F49 A366 P367 K370 T371 V421K43-F47 WeakPolarHBondContact CA-O 3.33Å; K44-F47 PolarHBondContact N-O 2.9Å; K44-F47 WeakPolarHBondContact O-CB 3.39Å; K44-F47 PolarHBondContact O-N 2.99Å; D45-F47 VanDerWaalsContact C-N 3.35Å; D45-F47 HydrophobicContact CB-CD2 4.27Å; D45-F47 WeakPolarHBondContact O-CD2 3.43Å; F47-F49 HydrophobicContact CB-CD2 4.25Å; F47-F49 HydrophobicContact CB-CE1 4.41Å; F47-F49 HydrophobicContact CB-CE2 3.4Å; F47-F49 VanDerWaalsContact CB-CE2 3.4Å; F47-F49 HydrophobicContact CB-CZ 3.5Å; F47-F49 HydrophobicContact CD1-CZ 4.48Å; F47-F49 HydrophobicContact CG-CE2 4.33Å; F47-F49 HydrophobicContact CG-CZ 4.05Å; F47-A366 HydrophobicContact CD1-CB 4Å; F47-A366 HydrophobicContact CE1-CB 4.31Å; F47-P367 HydrophobicContact CE1-CG 4.45Å; F47-P367 HydrophobicContact CZ-CG 4.44Å; F47-K370 HydrophobicContact CE1-CB 3.83Å; F47-K370 HydrophobicContact CZ-CB 3.96Å; F47-K370 HydrophobicContact CZ-CD 3.86Å; F47-T371 VanDerWaalsContact CE1-O 3.31Å; F47-T371 WeakPolarHBondContact CE1-O 3.14Å; F47-V421 HydrophobicContact CE2-CG2 3.95Å; F47-V421 HydrophobicContact CZ-CG2 3.93Å
48T98Very high94.5Very high18 Ų1834 Ų3411%0.1119%0.185CC..EExtended strand (participates in β ladder)trans-123.2120173.7-59.90000109.8Q41 L42 K43 L365Q41-T48 HydrophobicContact CB-CG2 4.21Å; Q41-T48 HydrophobicContact CG-CG2 3.83Å; Q41-T48 VanDerWaalsContact OE1-CG2 3.32Å; L42-T48 WeakPolarHBondContact O-CA 3.47Å; K43-T48 HydrophobicContact CG-CG2 4.09Å; T48-L365 HydrophobicContact CG2-CD2 3.74Å; T48-L365 PolarHBondContact N-O 3.09Å
49F97.6Very high94.6Very high2 Ų231.9 Ų31.91%0.00918%0.179CC..EExtended strand (participates in β ladder)trans-118.7134.2-179.1-51.3-88.9000111Q41 L42 F47 Y313Q41-F49 CarbonylContact C-O 3.54Å; Q41-F49 WeakPolarHBondContact CA-O 3.38Å; L42-F49 HydrophobicContact CB-CB 4.46Å; L42-F49 HydrophobicContact CD2-CD2 4.3Å; L42-F49 HydrophobicContact CG-CD2 4.43Å; L42-F49 PolarHBondContact N-O 3.18Å; L42-F49 PolarHBondContact O-N 2.85Å; F47-F49 HydrophobicContact CB-CD2 4.25Å; F47-F49 HydrophobicContact CB-CE1 4.41Å; F47-F49 HydrophobicContact CB-CE2 3.4Å; F47-F49 VanDerWaalsContact CB-CE2 3.4Å; F47-F49 HydrophobicContact CB-CZ 3.5Å; F47-F49 HydrophobicContact CD1-CZ 4.48Å; F47-F49 HydrophobicContact CG-CE2 4.33Å; F47-F49 HydrophobicContact CG-CZ 4.05Å; F49-Y313 HydrophobicContact CB-CD1 3.41Å; F49-Y313 VanDerWaalsContact CB-CD1 3.41Å; F49-Y313 HydrophobicContact CB-CE1 3.93Å; F49-Y313 HydrophobicContact CB-CG 4.27Å; F49-Y313 HydrophobicContact CD1-CD1 4.08Å; F49-Y313 HydrophobicContact CD2-CD1 4.34Å; F49-Y313 HydrophobicContact CD2-CG 4.43Å; F49-Y313 AromaticContact CG-CD1 3.72Å; F49-Y313 HydrophobicContact CG-CD1 3.72Å; F49-Y313 HydrophobicContact CG-CG 4.2Å
50D96.1Very high94.6Very high3 Ų336.5 Ų36.52%0.01620%0.203CC..EExtended strand (participates in β ladder)trans-68.9131.9166.2-71.8-47.9000109.7Q41 T54 G220 M221 Y222Q41-D50 PolarHBondContact NE2-OD1 3.11Å; D50-T54 HydrophobicContact CB-CG2 4.45Å; D50-G220 VanDerWaalsContact OD2-CA 3.24Å; D50-G220 WeakPolarHBondContact OD2-CA 3.18Å; D50-M221 VanDerWaalsContact CG-N 3.3Å; D50-M221 PolarHBondContact OD1-N 3.43Å; D50-M221 PolarHBondContact OD2-N 2.68Å; D50-Y222 PolarHBondContact OD1-N 3.15Å
51M92.8Very high94.6Very high23 Ų2336.8 Ų36.811%0.11321%0.206CC..SBendtrans-87.6-18.7-172.5-68.5-1717400114.6N40 L42 Y313 F426N40-M51 PolarHBondContact O-N 3.05Å; L42-M51 HydrophobicContact CB-CG 3.91Å; L42-M51 HydrophobicContact CB-SD 4.09Å; M51-Y313 WeakPolarHBondContact CA-OH 3.27Å; M51-Y313 PolarHBondContact O-OH 2.91Å; M51-F426 HydrophobicContact CE-CD2 3.87Å; M51-F426 HydrophobicContact CE-CE2 3.71Å
52G88Confident94.7Very high21 Ų2135.6 Ų35.622%0.21620%0.2CC..SBendtrans-131.9-106.4-173.600000111.7R38R38-G52 WeakPolarHBondContact O-CA 3.14Å; R38-G52 PolarHBondContact O-N 3.2Å
53P92.6Very high94.9Very high35 Ų3536.1 Ų36.123%0.22720%0.201CC..  trans-69.3141.9-178.432.6-36.1000110.5R38 M39 M221 V480R38-P53 WeakPolarHBondContact O-CD 3.36Å; M39-P53 HydrophobicContact CB-CG 4.14Å; M39-P53 HydrophobicContact CE-CG 4.14Å; M39-P53 HydrophobicContact CG-CG 4.33Å; P53-M221 HydrophobicContact CB-CE 3.58Å; P53-M221 HydrophobicContact CG-CB 4.44Å; P53-M221 HydrophobicContact CG-CE 3.78Å; P53-M221 WeakPolarHBondContact O-CB 3.49Å; P53-M221 WeakPolarHBondContact O-CG 3.49Å; P53-V480 HydrophobicContact CB-CG2 3.66Å; P53-V480 HydrophobicContact CG-CG2 3.76Å
54T93.5Very high94.9Very high12 Ų1231.5 Ų31.57%0.07418%0.183CC..  trans-124.9-16.6179.154.90000113.3D50 H327 Y354 Y356 Y374D50-T54 HydrophobicContact CB-CG2 4.45Å; T54-H327 PolarHBondContact O-CE1 2.82Å; T54-Y354 WeakPolarHBondContact CB-OH 3.27Å; T54-Y354 HydrophobicContact CG2-CE1 4.45Å; T54-Y354 WeakPolarHBondContact OG1-CE1 3.25Å; T54-Y354 PolarHBondContact OG1-OH 3.27Å; T54-Y356 HydrophobicContact CG2-CD1 3.53Å; T54-Y356 HydrophobicContact CG2-CE1 3.82Å; T54-Y356 HydrophobicContact CG2-CG 3.94Å; T54-Y374 HydrophobicContact CG2-CD1 4.44Å; T54-Y374 HydrophobicContact CG2-CE1 4.31Å
55I92.6Very high94.9Very high20 Ų2027.8 Ų27.810%0.10317%0.167CC..  trans-108.1127.4-172.6-59177.5000109.7M57 Y190 V214 Y354I55-M57 HydrophobicContact CG2-CG 3.92Å; I55-Y190 HydrophobicContact CD1-CD2 4.31Å; I55-Y190 HydrophobicContact CD1-CE1 4.11Å; I55-Y190 HydrophobicContact CD1-CE2 3.36Å; I55-Y190 WeakPolarHBondContact CD1-OH 3.34Å; I55-Y190 HydrophobicContact CG2-CE2 4.38Å; I55-V214 HydrophobicContact CG2-CG1 3.75Å; I55-V214 HydrophobicContact CG2-CG2 4Å; I55-Y354 HydrophobicContact CD1-CE2 4.38Å
56V94Very high94.9Very high2 Ų223 Ų231%0.01214%0.141CC..BIsolated β-bridgetrans-101.2106.1176.9-171.50000109.5Y62 L79 H215 I217 M221V56-Y62 HydrophobicContact CG1-CD2 4.34Å; V56-Y62 HydrophobicContact CG1-CE1 4.1Å; V56-Y62 HydrophobicContact CG1-CE2 3.98Å; V56-L79 HydrophobicContact CG1-CD1 3.83Å; V56-H215 HydrophobicContact CB-CB 3.96Å; V56-H215 VanDerWaalsContact CB-O 3.29Å; V56-H215 WeakPolarHBondContact CB-O 3.15Å; V56-H215 HydrophobicContact CG1-CB 3.99Å; V56-H215 WeakPolarHBondContact CG2-O 3.37Å; V56-H215 PolarHBondContact O-N 2.84Å; V56-I217 HydrophobicContact CG1-CD1 4.32Å; V56-I217 HydrophobicContact CG2-CD1 3.96Å; V56-I217 HydrophobicContact CG2-CG1 3.93Å; V56-M221 HydrophobicContact CG2-SD 3.44Å; V56-M221 WeakPolarHBondContact CG2-SD 3.44Å
57M90.8Very high95Very high31 Ų3123.9 Ų23.915%0.15314%0.136CC..  trans-109.7162173.5-62.5-179.2-80.500110.2I55 Y62 Y190 I205 I208 E209I55-M57 HydrophobicContact CG2-CG 3.92Å; M57-Y62 WeakPolarHBondContact O-CE2 3.44Å; M57-Y190 HydrophobicContact CE-CD2 4.11Å; M57-I205 HydrophobicContact SD-CG2 4.26Å; M57-I208 HydrophobicContact CB-CG2 4.06Å; M57-I208 HydrophobicContact SD-CG2 4.46Å; M57-E209 HydrophobicContact CG-CG 4.02Å; M57-E209 HydrophobicContact SD-CG 3.54Å; M57-E209 VanDerWaalsContact SD-CG 3.54Å
58M91.8Very high94.9Very high27 Ų2725.8 Ų25.813%0.13315%0.152CC..  trans52.160.1175.8-52.5179.967.200112.7D60 V61 Y131 I208 P481M58-D60 PolarHBondContact O-N 2.8Å; M58-V61 HydrophobicContact CB-CG2 4.02Å; M58-V61 HydrophobicContact CE-CG2 3.81Å; M58-V61 PolarHBondContact O-N 2.83Å; M58-Y131 HydrophobicContact CE-CE2 4.38Å; M58-Y131 WeakPolarHBondContact CE-OH 3.44Å; M58-I208 HydrophobicContact CG-CD1 4.22Å; M58-I208 HydrophobicContact CG-CG2 3.56Å; M58-I208 HydrophobicContact SD-CD1 3.84Å; M58-P481 HydrophobicContact CB-CB 4.19Å; M58-P481 HydrophobicContact CB-CG 4.13Å; M58-P481 HydrophobicContact CG-CB 4.36Å; M58-P481 HydrophobicContact CG-CG 4.3Å; M58-P481 HydrophobicContact SD-CB 3.64Å; M58-P481 HydrophobicContact SD-CG 4.09Å
59P93.7Very high94.9Very high10 Ų1025.6 Ų25.67%0.06515%0.151CC..Hα-helixtrans-53.4-32.2-172.226.1-39.2000113.2V61 Y62 K63 L79P59-V61 VanDerWaalsContact C-N 3.27Å; P59-V61 PolarHBondContact O-N 3.39Å; P59-Y62 WeakPolarHBondContact O-CB 3.46Å; P59-Y62 PolarHBondContact O-N 3.04Å; P59-Y62 VanDerWaalsContact O-N 3.13Å; P59-K63 WeakPolarHBondContact O-CG 3.44Å; P59-K63 PolarHBondContact O-N 3.2Å; P59-L79 HydrophobicContact CB-CD2 3.57Å
60D94.5Very high95Very high101 Ų10129 Ų2954%0.5419%0.186SC..Hα-helixtrans-65.4-27.2-179.3-63.2-22.8000113.5M58 Y62 K63 D64M58-D60 PolarHBondContact O-N 2.8Å; D60-Y62 VanDerWaalsContact C-N 3.31Å; D60-Y62 PolarHBondContact O-N 3.18Å; D60-K63 PolarHBondContact O-N 3.23Å; D60-K63 IonicContact OD1-NZ 3.39Å; D60-K63 PolarHBondContact OD1-NZ 2.88Å; D60-D64 VanDerWaalsContact O-CB 3.29Å; D60-D64 WeakPolarHBondContact O-CB 3.48Å; D60-D64 PolarHBondContact O-N 3.1Å
61V94.5Very high95.1Very high26 Ų2632.5 Ų32.516%0.15820%0.201CC..Hα-helixtrans-68.2-34175178.20000111.5M58 P59 P481 L484M58-V61 HydrophobicContact CB-CG2 4.02Å; M58-V61 HydrophobicContact CE-CG2 3.81Å; M58-V61 PolarHBondContact O-N 2.83Å; P59-V61 VanDerWaalsContact C-N 3.27Å; P59-V61 PolarHBondContact O-N 3.39Å; V61-P481 HydrophobicContact CB-CB 4.37Å; V61-P481 HydrophobicContact CG1-CB 4.25Å; V61-P481 WeakPolarHBondContact CG1-O 3.44Å; V61-P481 HydrophobicContact CG2-CB 4.41Å; V61-L484 HydrophobicContact CG1-CB 3.75Å; V61-L484 HydrophobicContact CG1-CD1 4.13Å
62Y97Very high95.3Very high1 Ų135.2 Ų35.20%0.00422%0.216CC..Hα-helixtrans-70.5-44.8176.3-66.1-113.3000109.9V56 M57 P59 D60 F66 I217 M221 M224 V480 P481 L484V56-Y62 HydrophobicContact CG1-CD2 4.34Å; V56-Y62 HydrophobicContact CG1-CE1 4.1Å; V56-Y62 HydrophobicContact CG1-CE2 3.98Å; M57-Y62 WeakPolarHBondContact O-CE2 3.44Å; P59-Y62 WeakPolarHBondContact O-CB 3.46Å; P59-Y62 PolarHBondContact O-N 3.04Å; P59-Y62 VanDerWaalsContact O-N 3.13Å; D60-Y62 VanDerWaalsContact C-N 3.31Å; D60-Y62 PolarHBondContact O-N 3.18Å; Y62-F66 WeakPolarHBondContact O-CD2 3.49Å; Y62-F66 WeakPolarHBondContact O-CE2 3.29Å; Y62-I217 HydrophobicContact CD1-CD1 3.99Å; Y62-I217 HydrophobicContact CE1-CD1 4.1Å; Y62-M221 HydrophobicContact CE1-CE 4.42Å; Y62-M224 HydrophobicContact CD1-CE 3.97Å; Y62-M224 HydrophobicContact CD1-CG 3.94Å; Y62-M224 HydrophobicContact CD1-SD 3.89Å; Y62-M224 HydrophobicContact CE1-CG 4.34Å; Y62-M224 HydrophobicContact CG-CE 4.41Å; Y62-V480 HydrophobicContact CE1-CG1 3.58Å; Y62-V480 HydrophobicContact CE2-CG1 4.37Å; Y62-V480 VanDerWaalsContact CZ-CG1 3.46Å; Y62-V480 WeakPolarHBondContact OH-CB 3.31Å; Y62-V480 VanDerWaalsContact OH-CG1 3.23Å; Y62-V480 WeakPolarHBondContact OH-CG1 2.98Å; Y62-P481 HydrophobicContact CE2-CG 4.11Å; Y62-L484 HydrophobicContact CD1-CD1 4.29Å; Y62-L484 HydrophobicContact CD2-CD1 4.47Å; Y62-L484 HydrophobicContact CG-CD1 4.25Å
63K97.5Very high95.8Very high47 Ų4736.5 Ų36.520%0.20422%0.215CC..Hα-helixtrans-62.9-40.1176.7-59.3172.5-165.2160.10112.3P59 D60 V65 F66 T67 Y73P59-K63 WeakPolarHBondContact O-CG 3.44Å; P59-K63 PolarHBondContact O-N 3.2Å; D60-K63 PolarHBondContact O-N 3.23Å; D60-K63 IonicContact OD1-NZ 3.39Å; D60-K63 PolarHBondContact OD1-NZ 2.88Å; K63-V65 PolarHBondContact O-N 3.15Å; K63-V65 VanDerWaalsContact O-N 3.1Å; K63-F66 PolarHBondContact O-N 2.92Å; K63-T67 PolarHBondContact O-N 2.95Å; K63-T67 VanDerWaalsContact O-N 3.1Å; K63-T67 PolarHBondContact O-OG1 2.66Å; K63-Y73 HydrophobicContact CB-CD1 4.01Å; K63-Y73 HydrophobicContact CB-CG 4.1Å; K63-Y73 HydrophobicContact CD-CD1 4.13Å; K63-Y73 HydrophobicContact CD-CE1 3.8Å; K63-Y73 HydrophobicContact CD-CE2 4.22Å; K63-Y73 HydrophobicContact CD-CG 4.5Å; K63-Y73 HydrophobicContact CG-CD1 3.8Å; K63-Y73 HydrophobicContact CG-CD2 3.85Å; K63-Y73 HydrophobicContact CG-CE1 3.97Å; K63-Y73 HydrophobicContact CG-CE2 3.99Å; K63-Y73 HydrophobicContact CG-CG 3.75Å
64D97.2Very high96Very high47 Ų4739.5 Ų39.525%0.25123%0.226SC..Hα-helixtrans-55.6-29.5-177-175.776000113R18 D60 T67 A68 K488R18-D64 IonicContact CZ-OD2 2.77Å; R18-D64 IonicContact NH1-OD2 3.1Å; R18-D64 PolarHBondContact NH2-O 3.2Å; R18-D64 IonicContact NH2-OD2 3.8Å; R18-D64 PolarHBondContact NH2-OD2 3.34Å; D60-D64 VanDerWaalsContact O-CB 3.29Å; D60-D64 WeakPolarHBondContact O-CB 3.48Å; D60-D64 PolarHBondContact O-N 3.1Å; D64-T67 WeakPolarHBondContact CA-OG1 3.02Å; D64-T67 PolarHBondContact O-OG1 2.95Å; D64-A68 WeakPolarHBondContact O-CB 3.5Å; D64-A68 PolarHBondContact O-N 2.92Å; D64-K488 IonicContact OD1-NZ 2.73Å; D64-K488 PolarHBondContact OD1-NZ 3.46Å; D64-K488 IonicContact OD2-NZ 2.66Å; D64-K488 PolarHBondContact OD2-NZ 2.85Å
65V97.7Very high96.2Very high0 Ų044.7 Ų44.70%025%0.253CS..Hα-helixtrans-64.9-45.2177.7-172.80000111.3A14 K63 C69 L228 L231 L484A14-V65 HydrophobicContact CB-CG1 3.72Å; A14-V65 HydrophobicContact CB-CG2 4.09Å; K63-V65 PolarHBondContact O-N 3.15Å; K63-V65 VanDerWaalsContact O-N 3.1Å; V65-C69 PolarHBondContact O-N 2.92Å; V65-C69 PolarHBondContact O-SG 3.04Å; V65-L228 HydrophobicContact CB-CD2 4.18Å; V65-L228 HydrophobicContact CG1-CD2 3.56Å; V65-L231 HydrophobicContact CG1-CD2 4.37Å; V65-L484 HydrophobicContact CG2-CD2 4.09Å
66F98.5Very high96.5Very high0 Ų045.2 Ų45.20%025%0.254CS..Hα-helixtrans-72.4-46.7-179.8-57.7-86.1000111Y62 K63 A68 C69 G70 K71 Y76 I77 M224 L228 L231Y62-F66 WeakPolarHBondContact O-CD2 3.49Å; Y62-F66 WeakPolarHBondContact O-CE2 3.29Å; K63-F66 PolarHBondContact O-N 2.92Å; F66-A68 VanDerWaalsContact C-N 3.32Å; F66-A68 PolarHBondContact O-N 2.89Å; F66-C69 CarbonylContact O-C 3.58Å; F66-C69 WeakPolarHBondContact O-CA 3.43Å; F66-C69 WeakPolarHBondContact O-CB 3.38Å; F66-C69 PolarHBondContact O-N 2.8Å; F66-G70 PolarHBondContact O-N 2.88Å; F66-K71 CarbonylContact C-O 3.58Å; F66-K71 HydrophobicContact CB-CB 4.47Å; F66-K71 PolarHBondContact O-N 2.83Å; F66-Y76 HydrophobicContact CD1-CD1 4.47Å; F66-Y76 AromaticContact CD1-CD2 3.5Å; F66-Y76 HydrophobicContact CD1-CD2 3.5Å; F66-Y76 HydrophobicContact CD1-CE2 4.24Å; F66-Y76 AromaticContact CD1-CG 3.65Å; F66-Y76 HydrophobicContact CD1-CG 3.65Å; F66-Y76 HydrophobicContact CE1-CD1 4.14Å; F66-Y76 AromaticContact CE1-CD2 3.86Å; F66-Y76 HydrophobicContact CE1-CD2 3.86Å; F66-Y76 AromaticContact CE1-CG 3.47Å; F66-Y76 HydrophobicContact CE1-CG 3.47Å; F66-Y76 VanDerWaalsContact CE1-CG 3.47Å; F66-Y76 HydrophobicContact CG-CD2 4.48Å; F66-I77 HydrophobicContact CE2-CD1 3.83Å; F66-I77 HydrophobicContact CE2-CG1 4.13Å; F66-I77 HydrophobicContact CE2-CG2 4.35Å; F66-I77 HydrophobicContact CZ-CD1 4.46Å; F66-I77 HydrophobicContact CZ-CG1 4.43Å; F66-I77 HydrophobicContact CZ-CG2 3.92Å; F66-M224 HydrophobicContact CE2-CE 3.91Å; F66-M224 HydrophobicContact CE2-SD 3.99Å; F66-M224 HydrophobicContact CZ-CE 4.35Å; F66-M224 HydrophobicContact CZ-SD 4.17Å; F66-L228 HydrophobicContact CE1-CD2 4.34Å; F66-L228 HydrophobicContact CE2-CD2 4.41Å; F66-L228 HydrophobicContact CZ-CD2 3.96Å; F66-L228 HydrophobicContact CZ-CG 4.44Å; F66-L231 HydrophobicContact CD1-CB 4.37Å; F66-L231 HydrophobicContact CD1-CD1 4.46Å; F66-L231 HydrophobicContact CD1-CD2 3.75Å; F66-L231 HydrophobicContact CD1-CG 4.42Å; F66-L231 HydrophobicContact CE1-CB 4.16Å; F66-L231 HydrophobicContact CE1-CD2 4.03Å; F66-L231 HydrophobicContact CG-CD2 4.46Å
67T97.9Very high96.7Very high74 Ų7445.5 Ų45.545%0.45426%0.256SS..Hα-helixtrans-65.1-36.7-178.359.80000111.8K63 D64 C69 G70 K71K63-T67 PolarHBondContact O-N 2.95Å; K63-T67 VanDerWaalsContact O-N 3.1Å; K63-T67 PolarHBondContact O-OG1 2.66Å; D64-T67 WeakPolarHBondContact CA-OG1 3.02Å; D64-T67 PolarHBondContact O-OG1 2.95Å; T67-C69 PolarHBondContact O-N 2.66Å; T67-G70 PolarHBondContact O-N 3.41Å; T67-K71 WeakPolarHBondContact CA-O 3.49Å
68A97.2Very high97Very high42 Ų4247.5 Ų47.535%0.34726%0.264SS..Hα-helixtrans-65-21.8173.400000113.6D64 F66 G70D64-A68 WeakPolarHBondContact O-CB 3.5Å; D64-A68 PolarHBondContact O-N 2.92Å; F66-A68 VanDerWaalsContact C-N 3.32Å; F66-A68 PolarHBondContact O-N 2.89Å; A68-G70 VanDerWaalsContact C-N 3.32Å
69C98.3Very high97.2Very high14 Ų1447.7 Ų47.710%0.09527%0.266CS..THydrogen-bonded Turntrans-90.87.3173.2-59.40000112.7V65 F66 T67 K71 L231 L235V65-C69 PolarHBondContact O-N 2.92Å; V65-C69 PolarHBondContact O-SG 3.04Å; F66-C69 CarbonylContact O-C 3.58Å; F66-C69 WeakPolarHBondContact O-CA 3.43Å; F66-C69 WeakPolarHBondContact O-CB 3.38Å; F66-C69 PolarHBondContact O-N 2.8Å; T67-C69 PolarHBondContact O-N 2.66Å; C69-K71 VanDerWaalsContact C-N 3.3Å; C69-K71 HydrophobicContact CB-CG 4.41Å; C69-K71 PolarHBondContact O-N 3.3Å; C69-L231 HydrophobicContact CB-CD1 4.23Å; C69-L235 HydrophobicContact CB-CD1 4.19Å
70G97.9Very high97.3Very high72 Ų7254 Ų5474%0.74229%0.288SS*.THydrogen-bonded Turntrans70.524.2-17700000113.8F66 T67 A68F66-G70 PolarHBondContact O-N 2.88Å; T67-G70 PolarHBondContact O-N 3.41Å; A68-G70 VanDerWaalsContact C-N 3.32Å
71K98.2Very high97.3Very high77 Ų7754.5 Ų54.534%0.33529%0.288SS..  trans-113.8156-178.7-62.9-64.1-172.3164.40111.3F66 T67 C69 Y76 L231F66-K71 CarbonylContact C-O 3.58Å; F66-K71 HydrophobicContact CB-CB 4.47Å; F66-K71 PolarHBondContact O-N 2.83Å; T67-K71 WeakPolarHBondContact CA-O 3.49Å; C69-K71 VanDerWaalsContact C-N 3.3Å; C69-K71 HydrophobicContact CB-CG 4.41Å; C69-K71 PolarHBondContact O-N 3.3Å; K71-Y76 HydrophobicContact CB-CE2 3.87Å; K71-Y76 HydrophobicContact CG-CE2 4.26Å; K71-L231 HydrophobicContact CB-CD1 4.21Å; K71-L231 HydrophobicContact CG-CD1 3.65Å
72N97.8Very high97.3Very high80 Ų8054.7 Ų54.743%0.42829%0.287SS..  trans-86.9130.9172.6-160.932.7000110E74 D75 Y76N72-E74 VanDerWaalsContact C-N 3.32Å; N72-E74 PolarHBondContact ND2-OE2 2.88Å; N72-E74 PolarHBondContact O-N 3.49Å; N72-E74 PolarHBondContact OD1-OE2 2.79Å; N72-D75 PolarHBondContact O-N 3.44Å; N72-Y76 VanDerWaalsContact O-CD2 3.3Å; N72-Y76 WeakPolarHBondContact O-CD2 3.46Å
73Y97.8Very high97.2Very high49 Ų4961.9 Ų61.919%0.19232%0.315CS..G310 helixtrans-71.8-29.3-173.474-85.7000112.1K63 D75 Y76 I77K63-Y73 HydrophobicContact CB-CD1 4.01Å; K63-Y73 HydrophobicContact CB-CG 4.1Å; K63-Y73 HydrophobicContact CD-CD1 4.13Å; K63-Y73 HydrophobicContact CD-CE1 3.8Å; K63-Y73 HydrophobicContact CD-CE2 4.22Å; K63-Y73 HydrophobicContact CD-CG 4.5Å; K63-Y73 HydrophobicContact CG-CD1 3.8Å; K63-Y73 HydrophobicContact CG-CD2 3.85Å; K63-Y73 HydrophobicContact CG-CE1 3.97Å; K63-Y73 HydrophobicContact CG-CE2 3.99Å; K63-Y73 HydrophobicContact CG-CG 3.75Å; Y73-D75 PolarHBondContact O-N 2.98Å; Y73-Y76 PolarHBondContact O-N 2.9Å; Y73-I77 HydrophobicContact CD2-CD1 4.32Å; Y73-I77 HydrophobicContact CD2-CG1 4.01Å; Y73-I77 PolarHBondContact O-N 3.48Å
74E97.7Very high97.1Very high98 Ų9862.2 Ų62.246%0.45832%0.315SS..G310 helixtrans-63.2-18.2177.4-64.292.1161.100113.2N72 Y76N72-E74 VanDerWaalsContact C-N 3.32Å; N72-E74 PolarHBondContact ND2-OE2 2.88Å; N72-E74 PolarHBondContact O-N 3.49Å; N72-E74 PolarHBondContact OD1-OE2 2.79Å; E74-Y76 PolarHBondContact O-N 3.25Å
75D98.1Very high96.8Very high120 Ų12060 Ų6064%0.64230%0.303SS*.G310 helixtrans-74.4-15.5174.7-61.5-25.6000112.3N72 Y73N72-D75 PolarHBondContact O-N 3.44Å; Y73-D75 PolarHBondContact O-N 2.98Å
76Y98.4Very high96.6Very high32 Ų3260.1 Ų60.113%0.12530%0.304CS..THydrogen-bonded Turntrans-122.9-34.5-171.2-63.1-87.5000113.7F66 K71 N72 Y73 E74 G227 Q230 L231 D234F66-Y76 HydrophobicContact CD1-CD1 4.47Å; F66-Y76 AromaticContact CD1-CD2 3.5Å; F66-Y76 HydrophobicContact CD1-CD2 3.5Å; F66-Y76 HydrophobicContact CD1-CE2 4.24Å; F66-Y76 AromaticContact CD1-CG 3.65Å; F66-Y76 HydrophobicContact CD1-CG 3.65Å; F66-Y76 HydrophobicContact CE1-CD1 4.14Å; F66-Y76 AromaticContact CE1-CD2 3.86Å; F66-Y76 HydrophobicContact CE1-CD2 3.86Å; F66-Y76 AromaticContact CE1-CG 3.47Å; F66-Y76 HydrophobicContact CE1-CG 3.47Å; F66-Y76 VanDerWaalsContact CE1-CG 3.47Å; F66-Y76 HydrophobicContact CG-CD2 4.48Å; K71-Y76 HydrophobicContact CB-CE2 3.87Å; K71-Y76 HydrophobicContact CG-CE2 4.26Å; N72-Y76 VanDerWaalsContact O-CD2 3.3Å; N72-Y76 WeakPolarHBondContact O-CD2 3.46Å; Y73-Y76 PolarHBondContact O-N 2.9Å; E74-Y76 PolarHBondContact O-N 3.25Å; Y76-G227 WeakPolarHBondContact CD1-O 3.36Å; Y76-G227 WeakPolarHBondContact O-CA 2.98Å; Y76-Q230 HydrophobicContact CD1-CB 4.06Å; Y76-Q230 HydrophobicContact CD1-CG 4.09Å; Y76-Q230 HydrophobicContact CE1-CB 4.31Å; Y76-Q230 HydrophobicContact CE1-CG 4.02Å; Y76-L231 HydrophobicContact CD1-CB 4.03Å; Y76-L231 VanDerWaalsContact CE1-CA 3.46Å; Y76-L231 HydrophobicContact CE1-CB 3.88Å; Y76-L231 HydrophobicContact CE1-CD1 4.35Å; Y76-L231 HydrophobicContact CE2-CD1 4.38Å; Y76-D234 VanDerWaalsContact CE1-OD2 3.24Å; Y76-D234 WeakPolarHBondContact CE1-OD2 3.3Å; Y76-D234 VanDerWaalsContact CZ-OD2 3.32Å; Y76-D234 PolarHBondContact OH-OD2 2.7Å
77I97.7Very high96.5Very high8 Ų860.1 Ų60.14%0.04130%0.304CS..  trans-136.1143-178.763.1170000111F66 Y73 M224F66-I77 HydrophobicContact CE2-CD1 3.83Å; F66-I77 HydrophobicContact CE2-CG1 4.13Å; F66-I77 HydrophobicContact CE2-CG2 4.35Å; F66-I77 HydrophobicContact CZ-CD1 4.46Å; F66-I77 HydrophobicContact CZ-CG1 4.43Å; F66-I77 HydrophobicContact CZ-CG2 3.92Å; Y73-I77 HydrophobicContact CD2-CD1 4.32Å; Y73-I77 HydrophobicContact CD2-CG1 4.01Å; Y73-I77 PolarHBondContact O-N 3.48Å; I77-M224 HydrophobicContact CD1-SD 3.99Å; I77-M224 HydrophobicContact CG2-SD 4.06Å
78E97Very high96.3Very high72 Ų7256.6 Ų56.634%0.33628%0.282SS..  trans-106.4106.8172.6-168.2-176155.800109R80 I217 K218E78-R80 IonicContact OE1-CZ 3.42Å; E78-R80 IonicContact OE1-NE 2.84Å; E78-R80 PolarHBondContact OE1-NE 3.18Å; E78-R80 IonicContact OE1-NH2 3.9Å; E78-R80 PolarHBondContact OE1-NH2 3.16Å; E78-I217 WeakPolarHBondContact O-CA 3.46Å; E78-K218 HydrophobicContact CB-CB 3.85Å; E78-K218 HydrophobicContact CB-CD 4.3Å; E78-K218 PolarHBondContact O-N 2.81Å; E78-K218 WeakPolarHBondContact OE2-CD 3.22Å; E78-K218 IonicContact OE2-NZ 3.53Å; E78-K218 PolarHBondContact OE2-NZ 2.81Å; E78-K218 VanDerWaalsContact OE2-NZ 3.15Å
79L96.3Very high96.2Very high31 Ų3155.1 Ų55.116%0.16227%0.267CS..EExtended strand (participates in β ladder)trans-111129.9-174.9-175.273000110.4V56 P59 H215 I217V56-L79 HydrophobicContact CG1-CD1 3.83Å; P59-L79 HydrophobicContact CB-CD2 3.57Å; L79-H215 HydrophobicContact CD1-CB 3.65Å; L79-H215 HydrophobicContact CG-CB 4.15Å; L79-I217 HydrophobicContact CD1-CD1 4.19Å; L79-I217 HydrophobicContact CD1-CG1 3.44Å; L79-I217 VanDerWaalsContact CD1-CG1 3.44Å
80R95.3Very high95.9Very high143 Ų14355.7 Ų55.754%0.5427%0.268SS..EExtended strand (participates in β ladder)trans-132.3134.5-178.8-56.4178.1-177.5-178.1-3.3110.6E78 H215 F216E78-R80 IonicContact OE1-CZ 3.42Å; E78-R80 IonicContact OE1-NE 2.84Å; E78-R80 PolarHBondContact OE1-NE 3.18Å; E78-R80 IonicContact OE1-NH2 3.9Å; E78-R80 PolarHBondContact OE1-NH2 3.16Å; R80-H215 CarbonylContact O-C 3.47Å; R80-H215 WeakPolarHBondContact O-CA 3.48Å; R80-H215 WeakPolarHBondContact O-CB 3.49Å; R80-F216 PolarHBondContact N-O 3.02Å; R80-F216 PolarHBondContact O-N 2.73Å
81Q95.3Very high95.6Very high112 Ų11257.1 Ų57.152%0.52326%0.259SS..EExtended strand (participates in β ladder)trans-74.2135.7174.4-166.5174.13000110T100 F212 H215Q81-T100 HydrophobicContact CG-CG2 4.18Å; Q81-F212 PolarHBondContact NE2-O 3.45Å; Q81-H215 VanDerWaalsContact CA-CD2 3.49Å; Q81-H215 WeakPolarHBondContact CA-CD2 3.35Å
82L95.6Very high95.3Very high29 Ų2957 Ų5715%0.15226%0.259CS..  trans-82.8142.7176.5-60174.1000110.2Y84 T100 V214 F216 L326L82-Y84 VanDerWaalsContact C-N 3.32Å; L82-Y84 WeakPolarHBondContact CB-O 3.44Å; L82-T100 WeakPolarHBondContact O-CB 3.43Å; L82-T100 PolarHBondContact O-OG1 3.06Å; L82-V214 WeakPolarHBondContact CB-O 3.24Å; L82-V214 HydrophobicContact CD1-CB 4.36Å; L82-V214 HydrophobicContact CD1-CG1 3.82Å; L82-V214 PolarHBondContact N-O 2.81Å; L82-F216 HydrophobicContact CD2-CB 3.86Å; L82-F216 HydrophobicContact CG-CB 4.34Å; L82-L326 HydrophobicContact CD1-CD2 3.46Å; L82-L326 VanDerWaalsContact CD1-CD2 3.46Å; L82-L326 HydrophobicContact CD2-CD2 4.01Å; L82-L326 HydrophobicContact CG-CD2 4.37Å
83R94.3Very high95Very high153 Ų15360.2 Ų60.258%0.57728%0.277SS*.SBendtrans-65.6-37.5174-178177.3178.6-169.6-0.8112.1T100 E104R83-T100 WeakPolarHBondContact O-CB 3.49Å; R83-T100 PolarHBondContact O-N 3.28Å; R83-T100 PolarHBondContact O-OG1 3.47Å; R83-E104 IonicContact CZ-OE1 2.75Å; R83-E104 IonicContact NE-OE1 2.75Å; R83-E104 IonicContact NE-OE2 2.58Å; R83-E104 IonicContact NH2-OE1 2.87Å; R83-E104 PolarHBondContact NH2-OE1 2.89Å; R83-E104 IonicContact NH2-OE2 3.01Å
84Y94.2Very high94.7Very high53 Ų5360.3 Ų60.321%0.20828%0.281CS..EExtended strand (participates in β ladder)trans-120.5140180-57.2-67.7000109.5L82 T97 V98 P99L82-Y84 VanDerWaalsContact C-N 3.32Å; L82-Y84 WeakPolarHBondContact CB-O 3.44Å; Y84-T97 HydrophobicContact CD1-CG2 3.33Å; Y84-T97 HydrophobicContact CE1-CG2 3.7Å; Y84-T97 HydrophobicContact CG-CG2 3.81Å; Y84-V98 CarbonylContact C-O 3.58Å; Y84-V98 WeakPolarHBondContact CA-O 3.27Å; Y84-P99 HydrophobicContact CD1-CB 4.08Å; Y84-P99 HydrophobicContact CE1-CB 4.24Å
85I92.8Very high94.6Very high2 Ų261.3 Ų61.31%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-74.7-56.3178-56.1-176.3000108.8V98 E209 M210 V214 H327I85-V98 HydrophobicContact CB-CB 4.38Å; I85-V98 HydrophobicContact CB-CG1 4.16Å; I85-V98 HydrophobicContact CD1-CG1 3.98Å; I85-V98 HydrophobicContact CG1-CG1 4.32Å; I85-V98 PolarHBondContact N-O 2.74Å; I85-E209 HydrophobicContact CD1-CB 4.45Å; I85-M210 HydrophobicContact CD1-SD 4.03Å; I85-V214 HydrophobicContact CB-CG2 4.46Å; I85-V214 HydrophobicContact CG2-CB 4.36Å; I85-V214 HydrophobicContact CG2-CG2 3.58Å; I85-H327 WeakPolarHBondContact O-CB 3.18Å; I85-H327 PolarHBondContact O-CD2 2.94Å
86Y93.3Very high94.4Very high2 Ų256.3 Ų56.31%0.00825%0.253CS..EExtended strand (participates in β ladder)trans-163.7164.9175.146.8-106.6000111.7V88 V98 L183 Q187 H327Y86-V88 HydrophobicContact CD2-CG2 3.33Å; Y86-V88 HydrophobicContact CE2-CG2 3.25Å; Y86-V98 HydrophobicContact CD2-CB 4.19Å; Y86-V98 HydrophobicContact CD2-CG2 3.86Å; Y86-V98 HydrophobicContact CE2-CB 4.01Å; Y86-V98 HydrophobicContact CE2-CG2 3.4Å; Y86-V98 VanDerWaalsContact CE2-CG2 3.4Å; Y86-V98 PolarHBondContact O-N 2.83Å; Y86-L183 HydrophobicContact CE2-CD2 4.41Å; Y86-Q187 PolarHBondContact OH-NE2 3.3Å; Y86-H327 CarbonylContact C-O 3.53Å; Y86-H327 WeakPolarHBondContact CA-O 3.26Å; Y86-H327 VanDerWaalsContact CB-O 3.23Å; Y86-H327 WeakPolarHBondContact CB-O 3.32Å
87D95.1Very high94.2Very high0 Ų056.4 Ų56.40%026%0.257CS..EExtended strand (participates in β ladder)trans-94.7141.1159.8-82.6-2.8000109.9Y89 R95 I96 T97 R325 H327 N328 V329D87-Y89 HydrophobicContact CB-CD2 4.44Å; D87-Y89 HydrophobicContact CB-CE2 3.62Å; D87-R95 HydrophobicContact CB-CG 4.33Å; D87-R95 WeakPolarHBondContact OD2-CD 3.48Å; D87-R95 IonicContact OD2-CZ 3.94Å; D87-R95 IonicContact OD2-NE 3.19Å; D87-R95 IonicContact OD2-NH1 3.61Å; D87-R95 PolarHBondContact OD2-NH1 3.04Å; D87-I96 WeakPolarHBondContact CA-O 3.44Å; D87-T97 VanDerWaalsContact OD1-CA 3.27Å; D87-T97 WeakPolarHBondContact OD1-CA 3.3Å; D87-T97 WeakPolarHBondContact OD1-CB 3.35Å; D87-T97 VanDerWaalsContact OD1-CG2 3.31Å; D87-T97 WeakPolarHBondContact OD1-CG2 3.32Å; D87-T97 PolarHBondContact OD1-OG1 3.42Å; D87-R325 HydrophobicContact CB-CB 4.45Å; D87-R325 HydrophobicContact CB-CG 4.06Å; D87-R325 WeakPolarHBondContact OD1-CG 3.34Å; D87-R325 VanDerWaalsContact OD2-CG 3.31Å; D87-R325 WeakPolarHBondContact OD2-CG 3.45Å; D87-H327 PolarHBondContact N-O 2.86Å; D87-N328 CarbonylContact O-C 3.48Å; D87-N328 VanDerWaalsContact O-CA 3.28Å; D87-N328 WeakPolarHBondContact O-CA 3.33Å; D87-V329 PolarHBondContact O-N 3.15Å
88V94.3Very high94Very high0 Ų056 Ų560%026%0.255CS..EExtended strand (participates in β ladder)trans-116.4131.1173.9177.40000109.9Y86 F90 R95 I96 L183 V329 F331Y86-V88 HydrophobicContact CD2-CG2 3.33Å; Y86-V88 HydrophobicContact CE2-CG2 3.25Å; V88-F90 HydrophobicContact CG1-CD2 4.2Å; V88-F90 HydrophobicContact CG1-CE1 4.39Å; V88-F90 HydrophobicContact CG1-CE2 3.66Å; V88-F90 HydrophobicContact CG1-CZ 3.79Å; V88-R95 CarbonylContact O-C 3.52Å; V88-R95 VanDerWaalsContact O-CA 3.24Å; V88-R95 WeakPolarHBondContact O-CA 3.45Å; V88-I96 PolarHBondContact N-O 2.79Å; V88-I96 PolarHBondContact O-N 2.71Å; V88-L183 HydrophobicContact CB-CD2 3.78Å; V88-L183 HydrophobicContact CG1-CD2 3.86Å; V88-L183 HydrophobicContact CG2-CD2 3.38Å; V88-V329 CarbonylContact C-O 3.54Å; V88-V329 WeakPolarHBondContact CA-O 3.44Å; V88-V329 HydrophobicContact CG2-CB 4.36Å; V88-F331 HydrophobicContact CG1-CD2 3.41Å; V88-F331 VanDerWaalsContact CG1-CD2 3.41Å; V88-F331 HydrophobicContact CG1-CE2 3.33Å
89Y95.3Very high93.9Very high10 Ų1052.8 Ų52.84%0.03924%0.24CC..EExtended strand (participates in β ladder)trans-114.7119.8178.5-61.1-100000108.9D87 R95 N328 V329 I330 F331 T409 I410D87-Y89 HydrophobicContact CB-CD2 4.44Å; D87-Y89 HydrophobicContact CB-CE2 3.62Å; Y89-R95 HydrophobicContact CD1-CB 4.18Å; Y89-R95 HydrophobicContact CD1-CG 4.09Å; Y89-R95 HydrophobicContact CE1-CB 4.18Å; Y89-R95 VanDerWaalsContact CE1-CD 3.48Å; Y89-R95 HydrophobicContact CE1-CG 3.81Å; Y89-R95 HydrophobicContact CE2-CG 4.38Å; Y89-R95 VanDerWaalsContact CZ-CD 3.47Å; Y89-R95 WeakPolarHBondContact OH-CD 3.4Å; Y89-N328 HydrophobicContact CE2-CB 4.1Å; Y89-V329 PolarHBondContact N-O 3.36Å; Y89-I330 HydrophobicContact CD2-CG1 4.3Å; Y89-I330 HydrophobicContact CG-CG1 4.42Å; Y89-F331 PolarHBondContact O-N 3.2Å; Y89-T409 HydrophobicContact CD1-CG2 4.44Å; Y89-I410 HydrophobicContact CD1-CG1 4.18Å; Y89-I410 HydrophobicContact CD2-CD1 4.34Å; Y89-I410 HydrophobicContact CD2-CG1 4.18Å; Y89-I410 HydrophobicContact CE1-CB 4.4Å; Y89-I410 HydrophobicContact CE1-CG1 3.92Å; Y89-I410 HydrophobicContact CE1-CG2 4.37Å; Y89-I410 HydrophobicContact CE2-CD1 3.94Å; Y89-I410 HydrophobicContact CE2-CG1 3.94Å; Y89-I410 HydrophobicContact CG-CG1 4.31Å
90F92Very high93.7Very high27 Ų2752.4 Ų52.412%0.11824%0.24CC..EExtended strand (participates in β ladder)trans-95.1-29.8168.9-63.2-81.6000111.3V88 D94 I96 K179 K182 L183 F331V88-F90 HydrophobicContact CG1-CD2 4.2Å; V88-F90 HydrophobicContact CG1-CE1 4.39Å; V88-F90 HydrophobicContact CG1-CE2 3.66Å; V88-F90 HydrophobicContact CG1-CZ 3.79Å; F90-D94 HydrophobicContact CB-CB 4.21Å; F90-D94 PolarHBondContact N-O 2.77Å; F90-I96 HydrophobicContact CD2-CD1 4.47Å; F90-I96 HydrophobicContact CE2-CD1 3.7Å; F90-I96 HydrophobicContact CE2-CG1 4.12Å; F90-K179 HydrophobicContact CD2-CD 4.41Å; F90-K179 HydrophobicContact CE2-CB 4.36Å; F90-K179 HydrophobicContact CE2-CD 4.25Å; F90-K179 HydrophobicContact CE2-CG 4.3Å; F90-K179 HydrophobicContact CZ-CB 4.12Å; F90-K179 HydrophobicContact CZ-CG 4.23Å; F90-K182 HydrophobicContact CD1-CD 4.48Å; F90-K182 HydrophobicContact CE1-CB 4.11Å; F90-K182 HydrophobicContact CE1-CD 3.84Å; F90-K182 HydrophobicContact CZ-CB 4.44Å; F90-L183 HydrophobicContact CZ-CD2 4.46Å; F90-F331 HydrophobicContact CD1-CB 4.24Å; F90-F331 HydrophobicContact CD1-CD2 4.1Å; F90-F331 HydrophobicContact CD1-CG 4.32Å; F90-F331 AromaticContact CE1-CD2 3.75Å; F90-F331 HydrophobicContact CE1-CD2 3.75Å; F90-F331 HydrophobicContact CE1-CE2 4.04Å; F90-F331 HydrophobicContact CE1-CG 4.18Å; F90-F331 HydrophobicContact CZ-CD2 4.25Å; F90-F331 HydrophobicContact CZ-CE2 4.23Å
91D91.6Very high93.6Very high102 Ų10249.6 Ų49.655%0.54524%0.235SC..EExtended strand (participates in β ladder)trans-157.2178171.7-163.10.1000108.3D93 D94 T409D91-D93 VanDerWaalsContact C-N 3.27Å; D91-D93 PolarHBondContact O-N 2.87Å; D91-D94 HydrophobicContact CB-CB 4.19Å; D91-D94 PolarHBondContact O-N 2.84Å; D91-D94 VanDerWaalsContact O-N 3.17Å; D91-T409 VanDerWaalsContact C-CG2 3.48Å
92H90.9Very high93.3Very high74 Ų7449 Ų4934%0.34324%0.235SC..THydrogen-bonded Turntrans-54.4-41.8-178.6-178.7-86.8000112.7
93D91.9Very high93.1Very high147 Ų14750 Ų5079%0.78625%0.248SC*.THydrogen-bonded Turntrans-99.92.8-177.6-59.3-32.6000113.3D91D91-D93 VanDerWaalsContact C-N 3.27Å; D91-D93 PolarHBondContact O-N 2.87Å
94D92.7Very high93.2Very high52 Ų5245.4 Ų45.428%0.27823%0.233SC..EExtended strand (participates in β ladder)trans-119.482.3-174.4-167.7-1.9000111F90 D91 K179F90-D94 HydrophobicContact CB-CB 4.21Å; F90-D94 PolarHBondContact N-O 2.77Å; D91-D94 HydrophobicContact CB-CB 4.19Å; D91-D94 PolarHBondContact O-N 2.84Å; D91-D94 VanDerWaalsContact O-N 3.17Å; D94-K179 IonicContact OD1-NZ 2.68Å; D94-K179 PolarHBondContact OD1-NZ 3.17Å; D94-K179 VanDerWaalsContact OD2-CE 3.24Å; D94-K179 WeakPolarHBondContact OD2-CE 3.36Å; D94-K179 IonicContact OD2-NZ 3.67Å; D94-K179 PolarHBondContact OD2-NZ 3.48Å
95R94.2Very high93.1Very high119 Ų11942.9 Ų42.945%0.44922%0.223SC..EExtended strand (participates in β ladder)trans-115.3133.8-178.6-174.5-175.668.9162.2-17.5112.2D87 V88 Y89D87-R95 HydrophobicContact CB-CG 4.33Å; D87-R95 WeakPolarHBondContact OD2-CD 3.48Å; D87-R95 IonicContact OD2-CZ 3.94Å; D87-R95 IonicContact OD2-NE 3.19Å; D87-R95 IonicContact OD2-NH1 3.61Å; D87-R95 PolarHBondContact OD2-NH1 3.04Å; V88-R95 CarbonylContact O-C 3.52Å; V88-R95 VanDerWaalsContact O-CA 3.24Å; V88-R95 WeakPolarHBondContact O-CA 3.45Å; Y89-R95 HydrophobicContact CD1-CB 4.18Å; Y89-R95 HydrophobicContact CD1-CG 4.09Å; Y89-R95 HydrophobicContact CE1-CB 4.18Å; Y89-R95 VanDerWaalsContact CE1-CD 3.48Å; Y89-R95 HydrophobicContact CE1-CG 3.81Å; Y89-R95 HydrophobicContact CE2-CG 4.38Å; Y89-R95 VanDerWaalsContact CZ-CD 3.47Å; Y89-R95 WeakPolarHBondContact OH-CD 3.4Å
96I94.2Very high93.1Very high14 Ų1447.5 Ų47.57%0.07224%0.244CC..EExtended strand (participates in β ladder)trans-115.9120.5171.1-54.3-174.2000109.7D87 V88 F90 V98 M108 I112 K179 L183D87-I96 WeakPolarHBondContact CA-O 3.44Å; V88-I96 PolarHBondContact N-O 2.79Å; V88-I96 PolarHBondContact O-N 2.71Å; F90-I96 HydrophobicContact CD2-CD1 4.47Å; F90-I96 HydrophobicContact CE2-CD1 3.7Å; F90-I96 HydrophobicContact CE2-CG1 4.12Å; I96-V98 HydrophobicContact CG2-CG2 4.49Å; I96-M108 HydrophobicContact CG2-CE 4.41Å; I96-M108 HydrophobicContact CG2-CG 3.91Å; I96-M108 HydrophobicContact CG2-SD 3.54Å; I96-M108 VanDerWaalsContact CG2-SD 3.54Å; I96-I112 HydrophobicContact CD1-CD1 3.73Å; I96-I112 HydrophobicContact CD1-CG1 4.1Å; I96-I112 HydrophobicContact CG2-CD1 4.24Å; I96-K179 HydrophobicContact CD1-CB 4.42Å; I96-K179 HydrophobicContact CD1-CD 4.23Å; I96-L183 HydrophobicContact CD1-CD1 4.27Å; I96-L183 HydrophobicContact CG2-CD1 4.25Å
97T94.9Very high93.2Very high34 Ų3454.1 Ų54.121%0.20928%0.275CS..EExtended strand (participates in β ladder)trans-89.7118.7170.6-61.90000109.4Y84 D87 P99Y84-T97 HydrophobicContact CD1-CG2 3.33Å; Y84-T97 HydrophobicContact CE1-CG2 3.7Å; Y84-T97 HydrophobicContact CG-CG2 3.81Å; D87-T97 VanDerWaalsContact OD1-CA 3.27Å; D87-T97 WeakPolarHBondContact OD1-CA 3.3Å; D87-T97 WeakPolarHBondContact OD1-CB 3.35Å; D87-T97 VanDerWaalsContact OD1-CG2 3.31Å; D87-T97 WeakPolarHBondContact OD1-CG2 3.32Å; D87-T97 PolarHBondContact OD1-OG1 3.42Å; T97-P99 VanDerWaalsContact O-CD 3.31Å; T97-P99 WeakPolarHBondContact O-CD 3.23Å
98V93.9Very high93.2Very high0 Ų055 Ų550%028%0.28CS..EExtended strand (participates in β ladder)trans-91.7112.5179-176.90000110.3Y84 I85 Y86 I96 L105 M108 L183 M210Y84-V98 CarbonylContact C-O 3.58Å; Y84-V98 WeakPolarHBondContact CA-O 3.27Å; I85-V98 HydrophobicContact CB-CB 4.38Å; I85-V98 HydrophobicContact CB-CG1 4.16Å; I85-V98 HydrophobicContact CD1-CG1 3.98Å; I85-V98 HydrophobicContact CG1-CG1 4.32Å; I85-V98 PolarHBondContact N-O 2.74Å; Y86-V98 HydrophobicContact CD2-CB 4.19Å; Y86-V98 HydrophobicContact CD2-CG2 3.86Å; Y86-V98 HydrophobicContact CE2-CB 4.01Å; Y86-V98 HydrophobicContact CE2-CG2 3.4Å; Y86-V98 VanDerWaalsContact CE2-CG2 3.4Å; Y86-V98 PolarHBondContact O-N 2.83Å; I96-V98 HydrophobicContact CG2-CG2 4.49Å; V98-L105 HydrophobicContact CG1-CD1 4.47Å; V98-M108 HydrophobicContact CB-SD 4.38Å; V98-M108 HydrophobicContact CG2-SD 4.08Å; V98-L183 HydrophobicContact CG2-CD2 4.4Å; V98-M210 HydrophobicContact CG1-CE 3.65Å; V98-M210 HydrophobicContact CG1-SD 3.96Å
99P94.6Very high93.3Very high4 Ų455 Ų553%0.02628%0.28CS..EExtended strand (participates in β ladder)trans-83.7155.1179.635.1-34.9000112.4Y84 T97 E104 L105Y84-P99 HydrophobicContact CD1-CB 4.08Å; Y84-P99 HydrophobicContact CE1-CB 4.24Å; T97-P99 VanDerWaalsContact O-CD 3.31Å; T97-P99 WeakPolarHBondContact O-CD 3.23Å; P99-E104 HydrophobicContact CB-CB 3.59Å; P99-E104 VanDerWaalsContact CG-C 3.43Å; P99-E104 HydrophobicContact CG-CB 3.61Å; P99-L105 VanDerWaalsContact CG-CA 3.47Å; P99-L105 HydrophobicContact CG-CB 3.97Å; P99-L105 HydrophobicContact CG-CD1 4.47Å
100T92.5Very high93.2Very high24 Ų2457.7 Ų57.715%0.14729%0.293CS..SBendtrans-80.8-28.7169.5-57.30000111.6Q81 L82 R83Q81-T100 HydrophobicContact CG-CG2 4.18Å; L82-T100 WeakPolarHBondContact O-CB 3.43Å; L82-T100 PolarHBondContact O-OG1 3.06Å; R83-T100 WeakPolarHBondContact O-CB 3.49Å; R83-T100 PolarHBondContact O-N 3.28Å; R83-T100 PolarHBondContact O-OG1 3.47Å
101D92.2Very high93.4Very high83 Ų8361 Ų6144%0.44432%0.319SS..SBendtrans-73.6132.5178.9178.6-94.8000111.4A103 E104 L105D101-A103 VanDerWaalsContact C-N 3.34Å; D101-A103 PolarHBondContact O-N 3Å; D101-A103 WeakPolarHBondContact OD1-CA 3.42Å; D101-A103 VanDerWaalsContact OD1-CB 3.29Å; D101-A103 WeakPolarHBondContact OD1-CB 3.31Å; D101-A103 PolarHBondContact OD1-N 3.26Å; D101-E104 HydrophobicContact CB-CB 4.19Å; D101-E104 HydrophobicContact CB-CG 4.18Å; D101-E104 PolarHBondContact O-N 3.38Å; D101-E104 PolarHBondContact OD1-N 2.82Å; D101-L105 WeakPolarHBondContact O-CB 3.25Å; D101-L105 PolarHBondContact O-N 3.04Å
102L88.8Confident93.5Very high100 Ų10058 Ų5852%0.52430%0.303SS..Hα-helixtrans-67.4-32.7-174.5-168.566000113L105 Q106 M121L102-L105 HydrophobicContact CD1-CD2 4.31Å; L102-L105 PolarHBondContact O-N 2.85Å; L102-Q106 WeakPolarHBondContact O-CB 3.43Å; L102-Q106 PolarHBondContact O-N 2.86Å; L102-M121 HydrophobicContact CD1-CE 3.41Å; L102-M121 VanDerWaalsContact CD1-CE 3.41Å; L102-M121 HydrophobicContact CD1-SD 4.03Å; L102-M121 HydrophobicContact CG-CE 4.14Å
103A92.2Very high93.6Very high51 Ų5157.2 Ų57.242%0.42130%0.299SS..Hα-helixtrans-75.4-40.3179.100000111D101 L105 Q106 Q107D101-A103 VanDerWaalsContact C-N 3.34Å; D101-A103 PolarHBondContact O-N 3Å; D101-A103 WeakPolarHBondContact OD1-CA 3.42Å; D101-A103 VanDerWaalsContact OD1-CB 3.29Å; D101-A103 WeakPolarHBondContact OD1-CB 3.31Å; D101-A103 PolarHBondContact OD1-N 3.26Å; A103-L105 VanDerWaalsContact C-N 3.32Å; A103-Q106 PolarHBondContact O-N 2.8Å; A103-Q107 WeakPolarHBondContact O-CG 3.17Å; A103-Q107 PolarHBondContact O-N 2.91Å; A103-Q107 VanDerWaalsContact O-N 3.13Å
104E94.9Very high93.7Very high55 Ų5555.4 Ų55.426%0.25730%0.296SS..Hα-helixtrans-62.1-40.1169.1-66.6-171.4-174.700110.7R83 P99 D101 Q106 Q107 M108R83-E104 IonicContact CZ-OE1 2.75Å; R83-E104 IonicContact NE-OE1 2.75Å; R83-E104 IonicContact NE-OE2 2.58Å; R83-E104 IonicContact NH2-OE1 2.87Å; R83-E104 PolarHBondContact NH2-OE1 2.89Å; R83-E104 IonicContact NH2-OE2 3.01Å; P99-E104 HydrophobicContact CB-CB 3.59Å; P99-E104 VanDerWaalsContact CG-C 3.43Å; P99-E104 HydrophobicContact CG-CB 3.61Å; D101-E104 HydrophobicContact CB-CB 4.19Å; D101-E104 HydrophobicContact CB-CG 4.18Å; D101-E104 PolarHBondContact O-N 3.38Å; D101-E104 PolarHBondContact OD1-N 2.82Å; E104-Q106 PolarHBondContact O-N 3.35Å; E104-Q107 PolarHBondContact O-N 3.18Å; E104-M108 PolarHBondContact O-N 3.26Å
105L93Very high93.6Very high1 Ų155.2 Ų55.21%0.00531%0.306CS..Hα-helixtrans-63.4-43.3178.6-178.662.8000111.7V98 P99 D101 L102 A103 Q107 M108 L109 F120 M210V98-L105 HydrophobicContact CG1-CD1 4.47Å; P99-L105 VanDerWaalsContact CG-CA 3.47Å; P99-L105 HydrophobicContact CG-CB 3.97Å; P99-L105 HydrophobicContact CG-CD1 4.47Å; D101-L105 WeakPolarHBondContact O-CB 3.25Å; D101-L105 PolarHBondContact O-N 3.04Å; L102-L105 HydrophobicContact CD1-CD2 4.31Å; L102-L105 PolarHBondContact O-N 2.85Å; A103-L105 VanDerWaalsContact C-N 3.32Å; L105-Q107 VanDerWaalsContact C-N 3.34Å; L105-Q107 PolarHBondContact O-N 3.23Å; L105-M108 HydrophobicContact CD1-CE 3.6Å; L105-M108 HydrophobicContact CD1-SD 4.34Å; L105-M108 WeakPolarHBondContact O-CB 3.47Å; L105-M108 PolarHBondContact O-N 3.08Å; L105-L109 HydrophobicContact CD1-CD1 4.45Å; L105-L109 HydrophobicContact CD1-CG 4.45Å; L105-L109 HydrophobicContact CG-CD1 4.14Å; L105-L109 VanDerWaalsContact O-CG 3.3Å; L105-L109 WeakPolarHBondContact O-CG 3.44Å; L105-L109 PolarHBondContact O-N 2.93Å; L105-F120 HydrophobicContact CD2-CE1 3.85Å; L105-F120 HydrophobicContact CD2-CZ 4.46Å; L105-M210 HydrophobicContact CD1-SD 4.14Å; L105-M210 HydrophobicContact CD2-SD 4.07Å
106Q93.7Very high93.6Very high98 Ų9850 Ų5046%0.45829%0.288SS..Hα-helixtrans-57-48.5172.5172.5179.3-6.800111L102 A103 E104 M108 L109 E110 T117L102-Q106 WeakPolarHBondContact O-CB 3.43Å; L102-Q106 PolarHBondContact O-N 2.86Å; A103-Q106 PolarHBondContact O-N 2.8Å; E104-Q106 PolarHBondContact O-N 3.35Å; Q106-M108 VanDerWaalsContact C-N 3.3Å; Q106-M108 PolarHBondContact O-N 3.06Å; Q106-L109 PolarHBondContact O-N 3.5Å; Q106-E110 HydrophobicContact CG-CG 4.31Å; Q106-E110 WeakPolarHBondContact O-CB 3.4Å; Q106-E110 VanDerWaalsContact O-CG 3.3Å; Q106-E110 WeakPolarHBondContact O-CG 3.24Å; Q106-E110 PolarHBondContact O-N 3.29Å; Q106-T117 HydrophobicContact CB-CG2 4.3Å; Q106-T117 HydrophobicContact CG-CG2 3.94Å
107Q95.4Very high93.5Very high141 Ų14150.1 Ų50.166%0.65929%0.289SS*.Hα-helixtrans-61.6-40.3179.1-69.4173.519.200112A103 E104 L105 S111A103-Q107 WeakPolarHBondContact O-CG 3.17Å; A103-Q107 PolarHBondContact O-N 2.91Å; A103-Q107 VanDerWaalsContact O-N 3.13Å; E104-Q107 PolarHBondContact O-N 3.18Å; L105-Q107 VanDerWaalsContact C-N 3.34Å; L105-Q107 PolarHBondContact O-N 3.23Å; Q107-S111 WeakPolarHBondContact O-CB 3.36Å; Q107-S111 PolarHBondContact O-N 3.11Å; Q107-S111 PolarHBondContact O-OG 3.24Å
108M95Very high93.4Very high20 Ų2055.6 Ų55.610%0.09931%0.312CS..Hα-helixtrans-59.4-52.3175-175.9-15677.800110.7I96 V98 E104 L105 Q106 E110 S111 I112 L183I96-M108 HydrophobicContact CG2-CE 4.41Å; I96-M108 HydrophobicContact CG2-CG 3.91Å; I96-M108 HydrophobicContact CG2-SD 3.54Å; I96-M108 VanDerWaalsContact CG2-SD 3.54Å; V98-M108 HydrophobicContact CB-SD 4.38Å; V98-M108 HydrophobicContact CG2-SD 4.08Å; E104-M108 PolarHBondContact O-N 3.26Å; L105-M108 HydrophobicContact CD1-CE 3.6Å; L105-M108 HydrophobicContact CD1-SD 4.34Å; L105-M108 WeakPolarHBondContact O-CB 3.47Å; L105-M108 PolarHBondContact O-N 3.08Å; Q106-M108 VanDerWaalsContact C-N 3.3Å; Q106-M108 PolarHBondContact O-N 3.06Å; M108-E110 PolarHBondContact O-N 3.31Å; M108-S111 PolarHBondContact O-N 3.44Å; M108-S111 PolarHBondContact O-OG 3.29Å; M108-I112 HydrophobicContact CE-CD1 4.25Å; M108-I112 HydrophobicContact CG-CD1 4.34Å; M108-I112 WeakPolarHBondContact O-CG1 3.41Å; M108-I112 PolarHBondContact O-N 2.73Å; M108-L183 HydrophobicContact CE-CD1 4.38Å
109L94.7Very high93.4Very high0 Ų056.3 Ų56.30%032%0.319CS..Hα-helixtrans-59.8-47.8-179.6-68.5168000112.1L105 Q106 S111 I112 E113 S116 F120 I180L105-L109 HydrophobicContact CD1-CD1 4.45Å; L105-L109 HydrophobicContact CD1-CG 4.45Å; L105-L109 HydrophobicContact CG-CD1 4.14Å; L105-L109 VanDerWaalsContact O-CG 3.3Å; L105-L109 WeakPolarHBondContact O-CG 3.44Å; L105-L109 PolarHBondContact O-N 2.93Å; Q106-L109 PolarHBondContact O-N 3.5Å; L109-S111 PolarHBondContact O-N 2.86Å; L109-I112 PolarHBondContact O-N 3.11Å; L109-I112 VanDerWaalsContact O-N 3.09Å; L109-E113 PolarHBondContact O-N 2.98Å; L109-S116 PolarHBondContact O-OG 2.86Å; L109-S116 VanDerWaalsContact O-OG 3.1Å; L109-F120 HydrophobicContact CD1-CB 3.85Å; L109-F120 HydrophobicContact CD1-CD1 3.56Å; L109-F120 HydrophobicContact CD1-CD2 4.1Å; L109-F120 HydrophobicContact CD1-CE1 4.07Å; L109-F120 HydrophobicContact CD1-CG 3.57Å; L109-F120 HydrophobicContact CD2-CD2 3.88Å; L109-F120 HydrophobicContact CD2-CE2 4.17Å; L109-F120 HydrophobicContact CD2-CG 4.19Å; L109-I180 HydrophobicContact CD2-CD1 3.9Å; L109-I180 HydrophobicContact CD2-CG1 4.24Å; L109-I180 HydrophobicContact CD2-CG2 3.96Å
110E95.1Very high93.2Very high65 Ų6556.3 Ų56.330%0.30432%0.319SS..Hα-helixtrans-63.8-26178.6-67.3-61.2141.200113.2Q106 M108 P114 G115 T117Q106-E110 HydrophobicContact CG-CG 4.31Å; Q106-E110 WeakPolarHBondContact O-CB 3.4Å; Q106-E110 VanDerWaalsContact O-CG 3.3Å; Q106-E110 WeakPolarHBondContact O-CG 3.24Å; Q106-E110 PolarHBondContact O-N 3.29Å; M108-E110 PolarHBondContact O-N 3.31Å; E110-P114 WeakPolarHBondContact OE2-CA 3.43Å; E110-G115 PolarHBondContact OE1-N 3.48Å; E110-G115 PolarHBondContact OE2-N 3.43Å; E110-T117 WeakPolarHBondContact CG-OG1 3.43Å; E110-T117 WeakPolarHBondContact OE1-CB 3.19Å; E110-T117 PolarHBondContact OE1-N 2.9Å; E110-T117 PolarHBondContact OE1-OG1 3.34Å
111S94.5Very high93.2Very high97 Ų9757.4 Ų57.468%0.67832%0.323SS*.Hα-helixtrans-78.2-24.8175.371.20000113.5Q107 M108 L109Q107-S111 WeakPolarHBondContact O-CB 3.36Å; Q107-S111 PolarHBondContact O-N 3.11Å; Q107-S111 PolarHBondContact O-OG 3.24Å; M108-S111 PolarHBondContact O-N 3.44Å; M108-S111 PolarHBondContact O-OG 3.29Å; L109-S111 PolarHBondContact O-N 2.86Å
112I93.5Very high93.1Very high40 Ų4055.2 Ų55.221%0.20531%0.314CS..Hα-helixtrans-80.5-52174.1-61.2160000110.2I96 M108 L109 N177 K179 I180I96-I112 HydrophobicContact CD1-CD1 3.73Å; I96-I112 HydrophobicContact CD1-CG1 4.1Å; I96-I112 HydrophobicContact CG2-CD1 4.24Å; M108-I112 HydrophobicContact CE-CD1 4.25Å; M108-I112 HydrophobicContact CG-CD1 4.34Å; M108-I112 WeakPolarHBondContact O-CG1 3.41Å; M108-I112 PolarHBondContact O-N 2.73Å; L109-I112 PolarHBondContact O-N 3.11Å; L109-I112 VanDerWaalsContact O-N 3.09Å; I112-N177 WeakPolarHBondContact CG2-OD1 3.44Å; I112-K179 HydrophobicContact CG2-CB 4.42Å; I112-I180 HydrophobicContact CB-CD1 4.41Å; I112-I180 HydrophobicContact CB-CG1 4.45Å; I112-I180 HydrophobicContact CD1-CG1 4.17Å; I112-I180 HydrophobicContact CG2-CD1 4.18Å; I112-I180 HydrophobicContact CG2-CG1 3.93Å
113E93.6Very high93.2Very high56 Ų5650.4 Ų50.426%0.26229%0.289SS..SBendtrans-146.7111.3178.8178.3175.9-11300109.5L109 G115 S116 N177 I180L109-E113 PolarHBondContact O-N 2.98Å; E113-G115 PolarHBondContact O-N 3.5Å; E113-S116 WeakPolarHBondContact O-CB 2.98Å; E113-S116 PolarHBondContact O-N 2.98Å; E113-S116 VanDerWaalsContact O-N 3.11Å; E113-S116 PolarHBondContact O-OG 3.4Å; E113-N177 HydrophobicContact CB-CB 4.06Å; E113-N177 HydrophobicContact CG-CB 4.5Å; E113-N177 VanDerWaalsContact OE2-CB 3.32Å; E113-N177 WeakPolarHBondContact OE2-CB 3.14Å; E113-N177 PolarHBondContact OE2-N 2.79Å; E113-I180 HydrophobicContact CB-CD1 4.5Å
114P93.7Very high93Very high110 Ų11048.5 Ų48.571%0.71427%0.271SS*.THydrogen-bonded Turntrans-56.6129.2176-27.535.6000112.3E110E110-P114 WeakPolarHBondContact OE2-CA 3.43Å
115G92.4Very high92.8Very high48 Ų4849.4 Ų49.450%0.49528%0.281SS..THydrogen-bonded Turntrans90.1-7.8-177.800000115.2E110 E113 T117 H118E110-G115 PolarHBondContact OE1-N 3.48Å; E110-G115 PolarHBondContact OE2-N 3.43Å; E113-G115 PolarHBondContact O-N 3.5Å; G115-T117 PolarHBondContact O-N 2.77Å; G115-H118 PolarHBondContact O-N 3.04Å
116S93.1Very high92.5Very high9 Ų951.2 Ų51.26%0.06329%0.291CS..Hα-helixtrans-65.4-23-178.762.60000113.7L109 E113 H118 G119 F120L109-S116 PolarHBondContact O-OG 2.86Å; L109-S116 VanDerWaalsContact O-OG 3.1Å; E113-S116 WeakPolarHBondContact O-CB 2.98Å; E113-S116 PolarHBondContact O-N 2.98Å; E113-S116 VanDerWaalsContact O-N 3.11Å; E113-S116 PolarHBondContact O-OG 3.4Å; S116-H118 VanDerWaalsContact C-N 3.28Å; S116-H118 PolarHBondContact O-N 3.4Å; S116-G119 PolarHBondContact O-N 2.99Å; S116-F120 WeakPolarHBondContact O-CB 3.49Å; S116-F120 PolarHBondContact O-N 3.2Å
117T92.9Very high92.2Very high16 Ų1646.6 Ų46.610%0.09827%0.269CS..Hα-helixtrans-56-41.8-179.9-58.60000112.1Q106 E110 G115 G119 F120 M121Q106-T117 HydrophobicContact CB-CG2 4.3Å; Q106-T117 HydrophobicContact CG-CG2 3.94Å; E110-T117 WeakPolarHBondContact CG-OG1 3.43Å; E110-T117 WeakPolarHBondContact OE1-CB 3.19Å; E110-T117 PolarHBondContact OE1-N 2.9Å; E110-T117 PolarHBondContact OE1-OG1 3.34Å; G115-T117 PolarHBondContact O-N 2.77Å; T117-G119 PolarHBondContact O-N 3.4Å; T117-F120 PolarHBondContact O-N 3.26Å; T117-M121 HydrophobicContact CG2-CE 4.03Å; T117-M121 HydrophobicContact CG2-CG 4.06Å; T117-M121 WeakPolarHBondContact O-CB 3.36Å; T117-M121 VanDerWaalsContact O-CG 3.25Å; T117-M121 WeakPolarHBondContact O-CG 3.48Å; T117-M121 PolarHBondContact O-N 2.96Å
118H92.7Very high91.9Very high149 Ų14943.7 Ų43.769%0.6925%0.253SS*.Hα-helixtrans-64.3-44.7-177.3179.767.8000112G115 S116 S122G115-H118 PolarHBondContact O-N 3.04Å; S116-H118 VanDerWaalsContact C-N 3.28Å; S116-H118 PolarHBondContact O-N 3.4Å; H118-S122 WeakPolarHBondContact O-CB 3.3Å; H118-S122 PolarHBondContact O-N 2.86Å; H118-S122 PolarHBondContact O-OG 3.1Å
119G92.3Very high91.6Very high15 Ų1548.9 Ų48.916%0.15527%0.274CS..Hα-helixtrans-61-48.3175.500000111.5S116 T117 M121 S122 F123 Y174S116-G119 PolarHBondContact O-N 2.99Å; T117-G119 PolarHBondContact O-N 3.4Å; G119-M121 PolarHBondContact O-N 3.3Å; G119-S122 WeakPolarHBondContact O-CB 3.4Å; G119-S122 PolarHBondContact O-N 3.01Å; G119-F123 PolarHBondContact O-N 2.84Å; G119-Y174 CarbonylContact C-O 3.58Å; G119-Y174 WeakPolarHBondContact CA-O 3.38Å
120F91.4Very high91.3Very high5 Ų549.3 Ų49.32%0.02228%0.277CS..Hα-helixtrans-58.9-47.6178.2-168.8-89.8000113.2L105 L109 S116 T117 S122 F123 L124 I175 I180 L184 M210L105-F120 HydrophobicContact CD2-CE1 3.85Å; L105-F120 HydrophobicContact CD2-CZ 4.46Å; L109-F120 HydrophobicContact CD1-CB 3.85Å; L109-F120 HydrophobicContact CD1-CD1 3.56Å; L109-F120 HydrophobicContact CD1-CD2 4.1Å; L109-F120 HydrophobicContact CD1-CE1 4.07Å; L109-F120 HydrophobicContact CD1-CG 3.57Å; L109-F120 HydrophobicContact CD2-CD2 3.88Å; L109-F120 HydrophobicContact CD2-CE2 4.17Å; L109-F120 HydrophobicContact CD2-CG 4.19Å; S116-F120 WeakPolarHBondContact O-CB 3.49Å; S116-F120 PolarHBondContact O-N 3.2Å; T117-F120 PolarHBondContact O-N 3.26Å; F120-S122 VanDerWaalsContact C-N 3.31Å; F120-S122 PolarHBondContact O-N 3.42Å; F120-F123 WeakPolarHBondContact O-CB 3.44Å; F120-F123 PolarHBondContact O-N 2.92Å; F120-L124 HydrophobicContact CD1-CD1 3.9Å; F120-L124 HydrophobicContact CD1-CG 4.14Å; F120-L124 HydrophobicContact CE1-CD1 3.54Å; F120-L124 HydrophobicContact CE1-CD2 4.34Å; F120-L124 HydrophobicContact CE1-CG 3.94Å; F120-L124 HydrophobicContact CZ-CD1 4.49Å; F120-L124 WeakPolarHBondContact O-CG 3.41Å; F120-L124 PolarHBondContact O-N 3.22Å; F120-I175 HydrophobicContact CB-CD1 4.44Å; F120-I175 HydrophobicContact CD2-CD1 3.75Å; F120-I180 HydrophobicContact CD2-CG2 3.88Å; F120-I180 HydrophobicContact CE2-CG2 4.19Å; F120-L184 HydrophobicContact CD2-CD1 4.28Å; F120-L184 HydrophobicContact CE2-CD1 4Å; F120-L184 HydrophobicContact CE2-CD2 3.79Å; F120-L184 HydrophobicContact CE2-CG 4.13Å; F120-L184 HydrophobicContact CZ-CD2 4.2Å; F120-M210 HydrophobicContact CZ-CE 4.48Å; F120-M210 HydrophobicContact CZ-CG 4.05Å; F120-M210 HydrophobicContact CZ-SD 4.04Å
121M91.4Very high90.9Very high47 Ų4746.9 Ų46.923%0.23227%0.265CS..Hα-helixtrans-66.5-34.3178.1-65.3-58.3167.800112.4L102 T117 G119 L124 T125L102-M121 HydrophobicContact CD1-CE 3.41Å; L102-M121 VanDerWaalsContact CD1-CE 3.41Å; L102-M121 HydrophobicContact CD1-SD 4.03Å; L102-M121 HydrophobicContact CG-CE 4.14Å; T117-M121 HydrophobicContact CG2-CE 4.03Å; T117-M121 HydrophobicContact CG2-CG 4.06Å; T117-M121 WeakPolarHBondContact O-CB 3.36Å; T117-M121 VanDerWaalsContact O-CG 3.25Å; T117-M121 WeakPolarHBondContact O-CG 3.48Å; T117-M121 PolarHBondContact O-N 2.96Å; G119-M121 PolarHBondContact O-N 3.3Å; M121-L124 PolarHBondContact O-N 2.77Å; M121-L124 HydrophobicContact SD-CD1 4.22Å; M121-T125 WeakPolarHBondContact O-CB 3.43Å; M121-T125 PolarHBondContact O-N 3.13Å; M121-T125 PolarHBondContact O-OG1 3.39Å
122S91.5Very high90.6Very high36 Ų3645.2 Ų45.225%0.25225%0.246SC..Hα-helixtrans-66.3-41.9175.2-62.70000111.4H118 G119 F120 T125 D126H118-S122 WeakPolarHBondContact O-CB 3.3Å; H118-S122 PolarHBondContact O-N 2.86Å; H118-S122 PolarHBondContact O-OG 3.1Å; G119-S122 WeakPolarHBondContact O-CB 3.4Å; G119-S122 PolarHBondContact O-N 3.01Å; F120-S122 VanDerWaalsContact C-N 3.31Å; F120-S122 PolarHBondContact O-N 3.42Å; S122-T125 PolarHBondContact O-N 2.85Å; S122-D126 PolarHBondContact O-N 2.85Å
123F89.8Confident90.4Very high0 Ų044.6 Ų44.60%024%0.243CC..Hα-helixtrans-58-53.8171.6167.6-97.9000111.2G119 F120 T125 D126 V127 L170 I171 Y174 L184G119-F123 PolarHBondContact O-N 2.84Å; F120-F123 WeakPolarHBondContact O-CB 3.44Å; F120-F123 PolarHBondContact O-N 2.92Å; F123-T125 VanDerWaalsContact C-N 3.26Å; F123-T125 PolarHBondContact O-N 3.45Å; F123-D126 PolarHBondContact O-N 2.79Å; F123-V127 HydrophobicContact CD1-CG2 4.49Å; F123-V127 HydrophobicContact CD2-CG2 3.98Å; F123-V127 HydrophobicContact CE1-CG2 4.23Å; F123-V127 HydrophobicContact CE2-CG2 3.71Å; F123-V127 HydrophobicContact CG-CG2 4.38Å; F123-V127 HydrophobicContact CZ-CG2 3.86Å; F123-V127 WeakPolarHBondContact O-CB 3.18Å; F123-V127 VanDerWaalsContact O-CG2 3.28Å; F123-V127 WeakPolarHBondContact O-CG2 3.41Å; F123-V127 PolarHBondContact O-N 3.25Å; F123-L170 HydrophobicContact CD2-CG 4.42Å; F123-L170 HydrophobicContact CE2-CD2 4.28Å; F123-L170 HydrophobicContact CE2-CG 4.2Å; F123-I171 HydrophobicContact CD2-CG1 4.48Å; F123-I171 HydrophobicContact CE2-CB 4.43Å; F123-I171 HydrophobicContact CE2-CG1 3.58Å; F123-I171 HydrophobicContact CZ-CG1 3.78Å; F123-Y174 HydrophobicContact CB-CD1 4.42Å; F123-Y174 HydrophobicContact CB-CD2 3.85Å; F123-Y174 HydrophobicContact CB-CG 3.76Å; F123-Y174 AromaticContact CD2-CD2 3.91Å; F123-Y174 HydrophobicContact CD2-CD2 3.91Å; F123-Y174 HydrophobicContact CG-CD2 4.4Å; F123-L184 HydrophobicContact CD1-CD1 4.17Å; F123-L184 HydrophobicContact CE1-CD1 3.88Å; F123-L184 HydrophobicContact CE1-CD2 3.96Å; F123-L184 HydrophobicContact CZ-CD1 4.27Å
124L89.3Confident90.1Very high10 Ų1042 Ų425%0.05223%0.231CC..Hα-helixtrans-55.6-42.7178.9-70-175000111.9F120 M121 V127 Y128 M207 M210F120-L124 HydrophobicContact CD1-CD1 3.9Å; F120-L124 HydrophobicContact CD1-CG 4.14Å; F120-L124 HydrophobicContact CE1-CD1 3.54Å; F120-L124 HydrophobicContact CE1-CD2 4.34Å; F120-L124 HydrophobicContact CE1-CG 3.94Å; F120-L124 HydrophobicContact CZ-CD1 4.49Å; F120-L124 WeakPolarHBondContact O-CG 3.41Å; F120-L124 PolarHBondContact O-N 3.22Å; M121-L124 PolarHBondContact O-N 2.77Å; M121-L124 HydrophobicContact SD-CD1 4.22Å; L124-V127 PolarHBondContact O-N 3.23Å; L124-Y128 VanDerWaalsContact O-CB 3.3Å; L124-Y128 WeakPolarHBondContact O-CB 3.24Å; L124-Y128 PolarHBondContact O-N 2.68Å; L124-M207 HydrophobicContact CD2-CB 3.97Å; L124-M207 HydrophobicContact CD2-CG 4.13Å; L124-M210 HydrophobicContact CD1-CB 4.24Å; L124-M210 HydrophobicContact CD2-CB 4.15Å
125T89.5Confident89.8Confident75 Ų7540 Ų4046%0.4621%0.209SC..Hα-helixtrans-65.4-42.9179.8-60.10000112.6M121 S122 F123 K129M121-T125 WeakPolarHBondContact O-CB 3.43Å; M121-T125 PolarHBondContact O-N 3.13Å; M121-T125 PolarHBondContact O-OG1 3.39Å; S122-T125 PolarHBondContact O-N 2.85Å; F123-T125 VanDerWaalsContact C-N 3.26Å; F123-T125 PolarHBondContact O-N 3.45Å; T125-K129 WeakPolarHBondContact O-CG 3.31Å; T125-K129 PolarHBondContact O-N 2.83Å
126D88Confident89.5Confident39 Ų3944.7 Ų44.721%0.20921%0.212CC..Hα-helixtrans-66.1-43.6177.1-17552.6000111.2S122 F123 K129 K130 Y174S122-D126 PolarHBondContact O-N 2.85Å; F123-D126 PolarHBondContact O-N 2.79Å; D126-K129 PolarHBondContact O-N 3.24Å; D126-K130 PolarHBondContact O-N 3.44Å; D126-K130 VanDerWaalsContact OD2-CE 3.3Å; D126-K130 WeakPolarHBondContact OD2-CE 3.49Å; D126-K130 IonicContact OD2-NZ 2.73Å; D126-K130 PolarHBondContact OD2-NZ 2.62Å; D126-Y174 HydrophobicContact CB-CE2 4.47Å
127V87.1Confident89.2Confident0 Ų046.5 Ų46.50%022%0.218CC..Hα-helixtrans-65.3-39.2177.3177.80000111.8F123 L124 K129 K130 Y131 L170 S203 I204 M207F123-V127 HydrophobicContact CD1-CG2 4.49Å; F123-V127 HydrophobicContact CD2-CG2 3.98Å; F123-V127 HydrophobicContact CE1-CG2 4.23Å; F123-V127 HydrophobicContact CE2-CG2 3.71Å; F123-V127 HydrophobicContact CG-CG2 4.38Å; F123-V127 HydrophobicContact CZ-CG2 3.86Å; F123-V127 WeakPolarHBondContact O-CB 3.18Å; F123-V127 VanDerWaalsContact O-CG2 3.28Å; F123-V127 WeakPolarHBondContact O-CG2 3.41Å; F123-V127 PolarHBondContact O-N 3.25Å; L124-V127 PolarHBondContact O-N 3.23Å; V127-K129 VanDerWaalsContact C-N 3.33Å; V127-K129 PolarHBondContact O-N 2.92Å; V127-K130 CarbonylContact O-C 3.53Å; V127-K130 WeakPolarHBondContact O-CB 3.08Å; V127-K130 PolarHBondContact O-N 2.56Å; V127-K130 VanDerWaalsContact O-N 3.12Å; V127-Y131 PolarHBondContact O-N 3.27Å; V127-L170 HydrophobicContact CG2-CD2 4.13Å; V127-S203 WeakPolarHBondContact CG1-O 3.11Å; V127-S203 WeakPolarHBondContact CG2-OG 3.49Å; V127-I204 HydrophobicContact CG1-CB 4.34Å; V127-I204 HydrophobicContact CG1-CG1 3.85Å; V127-M207 HydrophobicContact CB-CB 4.04Å; V127-M207 HydrophobicContact CB-CG 4.16Å; V127-M207 HydrophobicContact CG1-CB 3.5Å; V127-M207 VanDerWaalsContact CG1-CB 3.5Å; V127-M207 HydrophobicContact CG1-CE 4.24Å; V127-M207 HydrophobicContact CG1-CG 3.94Å
128Y89.1Confident89Confident81 Ų8146.2 Ų46.232%0.31822%0.215SC..Hα-helixtrans-60.4-41.2176.4-176-96.4000112.2L124 K130 Y131 E132 M207 M211 F212L124-Y128 VanDerWaalsContact O-CB 3.3Å; L124-Y128 WeakPolarHBondContact O-CB 3.24Å; L124-Y128 PolarHBondContact O-N 2.68Å; Y128-K130 VanDerWaalsContact C-N 3.32Å; Y128-K130 PolarHBondContact O-N 2.95Å; Y128-Y131 HydrophobicContact CD2-CD1 4.29Å; Y128-Y131 HydrophobicContact CE2-CD1 4.29Å; Y128-Y131 WeakPolarHBondContact O-CB 3.39Å; Y128-Y131 PolarHBondContact O-N 3.13Å; Y128-E132 HydrophobicContact CD1-CG 4.3Å; Y128-E132 HydrophobicContact CE1-CG 3.78Å; Y128-E132 PolarHBondContact O-N 2.96Å; Y128-M207 HydrophobicContact CD2-CE 4.35Å; Y128-M207 HydrophobicContact CD2-SD 3.74Å; Y128-M207 HydrophobicContact CG-SD 4.45Å; Y128-M211 HydrophobicContact CD2-CE 3.5Å; Y128-M211 HydrophobicContact CD2-SD 3.57Å; Y128-M211 VanDerWaalsContact CD2-SD 3.57Å; Y128-M211 HydrophobicContact CE2-CE 3.78Å; Y128-M211 HydrophobicContact CE2-SD 4.37Å; Y128-M211 HydrophobicContact CG-CE 4.09Å; Y128-M211 HydrophobicContact CG-SD 4.08Å; Y128-F212 HydrophobicContact CE2-CZ 4.19Å
129K88Confident88.7Confident128 Ų12841 Ų4156%0.55719%0.192SC*.Hα-helixtrans-61.5-41.5174.5-69.7169.9-175.1169.40111.5T125 D126 V127 I133T125-K129 WeakPolarHBondContact O-CG 3.31Å; T125-K129 PolarHBondContact O-N 2.83Å; D126-K129 PolarHBondContact O-N 3.24Å; V127-K129 VanDerWaalsContact C-N 3.33Å; V127-K129 PolarHBondContact O-N 2.92Å; K129-I133 WeakPolarHBondContact O-CG1 3.29Å; K129-I133 PolarHBondContact O-N 2.92Å
130K88.1Confident88.5Confident10 Ų1044.2 Ų44.24%0.04320%0.203CC..Hα-helixtrans-64.8-41.3175.3-68.4165.4174.2160.40111.1D126 V127 Y128 I133 A134 L161D126-K130 PolarHBondContact O-N 3.44Å; D126-K130 VanDerWaalsContact OD2-CE 3.3Å; D126-K130 WeakPolarHBondContact OD2-CE 3.49Å; D126-K130 IonicContact OD2-NZ 2.73Å; D126-K130 PolarHBondContact OD2-NZ 2.62Å; V127-K130 CarbonylContact O-C 3.53Å; V127-K130 WeakPolarHBondContact O-CB 3.08Å; V127-K130 PolarHBondContact O-N 2.56Å; V127-K130 VanDerWaalsContact O-N 3.12Å; Y128-K130 VanDerWaalsContact C-N 3.32Å; Y128-K130 PolarHBondContact O-N 2.95Å; K130-I133 PolarHBondContact O-N 2.89Å; K130-A134 WeakPolarHBondContact O-CB 3.31Å; K130-A134 PolarHBondContact O-N 3.04Å; K130-L161 HydrophobicContact CB-CD2 4.01Å; K130-L161 HydrophobicContact CG-CD2 4.49Å; K130-L161 WeakPolarHBondContact O-CD2 3.35Å
131Y87.5Confident88.3Confident13 Ų1350.1 Ų50.15%0.05123%0.225CC..Hα-helixtrans-60.1-48.6176.2166.3-111.6000113.1M58 V127 Y128 I133 A134 R135 I204 M207 I208M58-Y131 HydrophobicContact CE-CE2 4.38Å; M58-Y131 WeakPolarHBondContact CE-OH 3.44Å; V127-Y131 PolarHBondContact O-N 3.27Å; Y128-Y131 HydrophobicContact CD2-CD1 4.29Å; Y128-Y131 HydrophobicContact CE2-CD1 4.29Å; Y128-Y131 WeakPolarHBondContact O-CB 3.39Å; Y128-Y131 PolarHBondContact O-N 3.13Å; Y131-I133 PolarHBondContact O-N 3.02Å; Y131-A134 PolarHBondContact O-N 2.83Å; Y131-A134 VanDerWaalsContact O-N 3.13Å; Y131-R135 VanDerWaalsContact CE1-NH1 3.34Å; Y131-R135 HydrophobicContact CE2-CB 4.26Å; Y131-R135 WeakPolarHBondContact O-CB 3.34Å; Y131-R135 PolarHBondContact O-N 2.83Å; Y131-R135 PolarHBondContact OH-NH1 3.23Å; Y131-I204 HydrophobicContact CD2-CD1 4.4Å; Y131-I204 HydrophobicContact CD2-CG2 3.52Å; Y131-I204 HydrophobicContact CE2-CG2 4.33Å; Y131-I204 HydrophobicContact CG-CG2 4.07Å; Y131-M207 HydrophobicContact CD1-CE 3.84Å; Y131-M207 HydrophobicContact CD2-CE 4.32Å; Y131-M207 HydrophobicContact CG-CE 3.59Å; Y131-I208 HydrophobicContact CD2-CD1 4.39Å; Y131-I208 HydrophobicContact CE2-CD1 4.09Å
132E88.5Confident88.2Confident62 Ų6249 Ų4929%0.2922%0.221SC..Hα-helixtrans-58.7-38.5177.9-78.7-67.2118.500111.9Y128 R135 R136Y128-E132 HydrophobicContact CD1-CG 4.3Å; Y128-E132 HydrophobicContact CE1-CG 3.78Å; Y128-E132 PolarHBondContact O-N 2.96Å; E132-R135 IonicContact OE1-CZ 4Å; E132-R135 VanDerWaalsContact OE1-CZ 3.3Å; E132-R135 IonicContact OE1-NH1 3.96Å; E132-R135 PolarHBondContact OE1-NH1 2.73Å; E132-R135 IonicContact OE1-NH2 2.71Å; E132-R135 PolarHBondContact OE1-NH2 3.01Å; E132-R135 IonicContact OE2-NH2 3.65Å; E132-R135 PolarHBondContact OE2-NH2 3.16Å; E132-R136 VanDerWaalsContact O-CB 3.28Å; E132-R136 WeakPolarHBondContact O-CB 3.48Å; E132-R136 PolarHBondContact O-N 3.04Å
133I88.5Confident88.1Confident27 Ų2747.4 Ų47.414%0.13821%0.21CC..Hα-helixtrans-67.4-49.5174.9-66171.1000110.6K129 K130 Y131 R135 Y137 F138 Q157 K160 L161K129-I133 WeakPolarHBondContact O-CG1 3.29Å; K129-I133 PolarHBondContact O-N 2.92Å; K130-I133 PolarHBondContact O-N 2.89Å; Y131-I133 PolarHBondContact O-N 3.02Å; I133-R135 PolarHBondContact O-N 3.36Å; I133-Y137 HydrophobicContact CG2-CD2 4.07Å; I133-Y137 WeakPolarHBondContact O-CB 3.14Å; I133-Y137 WeakPolarHBondContact O-CD2 3.39Å; I133-Y137 PolarHBondContact O-N 3.31Å; I133-F138 HydrophobicContact CG2-CE2 4.3Å; I133-Q157 HydrophobicContact CG2-CB 3.81Å; I133-K160 HydrophobicContact CD1-CB 3.82Å; I133-K160 HydrophobicContact CD1-CD 4.09Å; I133-L161 HydrophobicContact CB-CD2 3.79Å; I133-L161 HydrophobicContact CG2-CD1 4.42Å; I133-L161 HydrophobicContact CG2-CD2 3.68Å; I133-L161 HydrophobicContact CG2-CG 3.89Å
134A87.3Confident88Confident2 Ų250.7 Ų50.72%0.01722%0.222CC..Hα-helixtrans-59.2-48.7-17900000111.4K130 Y131 F138 L139 L161 L201 I204K130-A134 WeakPolarHBondContact O-CB 3.31Å; K130-A134 PolarHBondContact O-N 3.04Å; Y131-A134 PolarHBondContact O-N 2.83Å; Y131-A134 VanDerWaalsContact O-N 3.13Å; A134-F138 CarbonylContact O-C 3.54Å; A134-F138 WeakPolarHBondContact O-CA 3.42Å; A134-F138 VanDerWaalsContact O-CB 3.31Å; A134-F138 WeakPolarHBondContact O-CB 3.29Å; A134-F138 PolarHBondContact O-N 2.69Å; A134-L139 PolarHBondContact O-N 3.39Å; A134-L161 HydrophobicContact CB-CD2 4.2Å; A134-L201 HydrophobicContact CB-CD1 3.83Å; A134-I204 HydrophobicContact CB-CD1 4.15Å
135R86.9Confident88Confident67 Ų6756.6 Ų56.625%0.25325%0.247SC..Iπ-helixtrans-57.7-57.8178.6-169.6179.582.6-124.6-7.3111.2Y131 E132 I133 L139 E140Y131-R135 VanDerWaalsContact CE1-NH1 3.34Å; Y131-R135 HydrophobicContact CE2-CB 4.26Å; Y131-R135 WeakPolarHBondContact O-CB 3.34Å; Y131-R135 PolarHBondContact O-N 2.83Å; Y131-R135 PolarHBondContact OH-NH1 3.23Å; E132-R135 IonicContact OE1-CZ 4Å; E132-R135 VanDerWaalsContact OE1-CZ 3.3Å; E132-R135 IonicContact OE1-NH1 3.96Å; E132-R135 PolarHBondContact OE1-NH1 2.73Å; E132-R135 IonicContact OE1-NH2 2.71Å; E132-R135 PolarHBondContact OE1-NH2 3.01Å; E132-R135 IonicContact OE2-NH2 3.65Å; E132-R135 PolarHBondContact OE2-NH2 3.16Å; I133-R135 PolarHBondContact O-N 3.36Å; R135-L139 PolarHBondContact O-N 3.48Å; R135-E140 VanDerWaalsContact CD-OE1 3.27Å; R135-E140 WeakPolarHBondContact CD-OE1 3.36Å; R135-E140 HydrophobicContact CG-CG 3.82Å; R135-E140 VanDerWaalsContact CG-OE1 3.29Å; R135-E140 WeakPolarHBondContact CG-OE1 3.42Å; R135-E140 IonicContact NE-OE1 2.67Å; R135-E140 IonicContact NE-OE2 2.81Å; R135-E140 WeakPolarHBondContact O-CB 3.4Å; R135-E140 PolarHBondContact O-N 3.38Å
136R86.6Confident87.9Confident148 Ų14856.2 Ų56.256%0.55825%0.246SC*.Iπ-helixtrans-71.4-36.5-170-175.1176.4-177.7176.71.7114.7E132 R141E132-R136 VanDerWaalsContact O-CB 3.28Å; E132-R136 WeakPolarHBondContact O-CB 3.48Å; E132-R136 PolarHBondContact O-N 3.04Å; R136-R141 PolarHBondContact O-NE 3.03Å
137Y86.8Confident88Confident47 Ų4757.8 Ų57.818%0.18426%0.26CS..Iπ-helixtrans-104-14-172.2-63.1-77.4000113.5I133 T153 Q157I133-Y137 HydrophobicContact CG2-CD2 4.07Å; I133-Y137 WeakPolarHBondContact O-CB 3.14Å; I133-Y137 WeakPolarHBondContact O-CD2 3.39Å; I133-Y137 PolarHBondContact O-N 3.31Å; Y137-T153 HydrophobicContact CD1-CG2 3.79Å; Y137-T153 HydrophobicContact CE1-CG2 3.58Å; Y137-Q157 HydrophobicContact CD1-CG 3.94Å; Y137-Q157 HydrophobicContact CD2-CB 4.08Å; Y137-Q157 HydrophobicContact CD2-CG 3.7Å; Y137-Q157 HydrophobicContact CE1-CG 4.02Å; Y137-Q157 HydrophobicContact CE2-CG 3.78Å; Y137-Q157 HydrophobicContact CG-CB 4.07Å; Y137-Q157 HydrophobicContact CG-CG 3.78Å
138F88.2Confident88Confident10 Ų1060.6 Ų60.64%0.04428%0.275CS..Iπ-helixtrans-129.6-57.9-175.5-57.2-84.9000114.5I133 A134 Y143 F149 S154 Q157 L161 H475I133-F138 HydrophobicContact CG2-CE2 4.3Å; A134-F138 CarbonylContact O-C 3.54Å; A134-F138 WeakPolarHBondContact O-CA 3.42Å; A134-F138 VanDerWaalsContact O-CB 3.31Å; A134-F138 WeakPolarHBondContact O-CB 3.29Å; A134-F138 PolarHBondContact O-N 2.69Å; F138-Y143 VanDerWaalsContact CA-OH 3.27Å; F138-Y143 WeakPolarHBondContact CA-OH 3.27Å; F138-Y143 PolarHBondContact O-OH 2.83Å; F138-F149 HydrophobicContact CD1-CD2 4.46Å; F138-F149 AromaticContact CD1-CE2 3.87Å; F138-F149 HydrophobicContact CD1-CE2 3.87Å; F138-F149 AromaticContact CE1-CE2 3.86Å; F138-F149 HydrophobicContact CE1-CE2 3.86Å; F138-S154 WeakPolarHBondContact CZ-O 3.35Å; F138-Q157 HydrophobicContact CE2-CB 4.2Å; F138-Q157 HydrophobicContact CZ-CB 4.49Å; F138-L161 HydrophobicContact CD2-CD1 3.89Å; F138-L161 HydrophobicContact CE2-CD1 3.62Å; F138-L161 HydrophobicContact CZ-CD1 4.34Å; F138-H475 PolarHBondContact O-CE1 2.78Å; F138-H475 VanDerWaalsContact O-CE1 3.31Å; F138-H475 PolarHBondContact O-NE2 3.04Å
139L86.7Confident87.8Confident39 Ų3958.4 Ų58.420%0.20427%0.267CS..Iπ-helixtrans-73.5-36.5-172.2-58.6174.7000113.5A134 R135 R141 H475 P476A134-L139 PolarHBondContact O-N 3.39Å; R135-L139 PolarHBondContact O-N 3.48Å; L139-R141 PolarHBondContact O-N 2.88Å; L139-H475 PolarHBondContact O-NE2 3.09Å; L139-P476 HydrophobicContact CB-CB 4.28Å; L139-P476 HydrophobicContact CD2-CB 3.86Å; L139-P476 WeakPolarHBondContact O-CG 3.48Å
140E87.7Confident87.8Confident82 Ų8257.7 Ų57.738%0.38326%0.262SS..THydrogen-bonded Turntrans-91.726.5179.8-63.4178.9163.300112.1R135 T485R135-E140 VanDerWaalsContact CD-OE1 3.27Å; R135-E140 WeakPolarHBondContact CD-OE1 3.36Å; R135-E140 HydrophobicContact CG-CG 3.82Å; R135-E140 VanDerWaalsContact CG-OE1 3.29Å; R135-E140 WeakPolarHBondContact CG-OE1 3.42Å; R135-E140 IonicContact NE-OE1 2.67Å; R135-E140 IonicContact NE-OE2 2.81Å; R135-E140 WeakPolarHBondContact O-CB 3.4Å; R135-E140 PolarHBondContact O-N 3.38Å; E140-T485 HydrophobicContact CG-CG2 4.11Å
141R88.3Confident87.8Confident129 Ų12959.5 Ų59.549%0.48727%0.272SS..  trans-126.9129-176-66.6-66.2-171.9160.52.1111.3R136 L139 Y143 H475R136-R141 PolarHBondContact O-NE 3.03Å; L139-R141 PolarHBondContact O-N 2.88Å; R141-Y143 HydrophobicContact CB-CE1 4.29Å; R141-H475 PolarHBondContact O-CD2 2.92Å; R141-H475 PolarHBondContact O-NE2 3.11Å
142T87.9Confident87.8Confident23 Ų2365.2 Ų65.214%0.14130%0.301CS..  trans-88139.4171.6-50.60000111.2N459 V460 I489 E493T142-N459 HydrophobicContact CG2-CB 4.05Å; T142-V460 HydrophobicContact CG2-CG2 4.1Å; T142-I489 PolarHBondContact OG1-O 3.49Å; T142-E493 HydrophobicContact CG2-CG 3.89Å; T142-E493 WeakPolarHBondContact OG1-CG 3.38Å
143Y89.7Confident87.8Confident3 Ų365.9 Ų65.91%0.01231%0.309CS..  trans-11496.4179.7-49.3-78.2000113.1F138 R141 D148 F149 N453 Q458 R462 H475F138-Y143 VanDerWaalsContact CA-OH 3.27Å; F138-Y143 WeakPolarHBondContact CA-OH 3.27Å; F138-Y143 PolarHBondContact O-OH 2.83Å; R141-Y143 HydrophobicContact CB-CE1 4.29Å; Y143-D148 HydrophobicContact CD1-CB 3.96Å; Y143-F149 HydrophobicContact CD1-CB 3.82Å; Y143-F149 HydrophobicContact CD1-CD2 4.3Å; Y143-F149 HydrophobicContact CE1-CB 3.95Å; Y143-F149 AromaticContact CE1-CD2 3.69Å; Y143-F149 HydrophobicContact CE1-CD2 3.69Å; Y143-F149 HydrophobicContact CE1-CG 4.32Å; Y143-F149 AromaticContact CZ-CD2 3.8Å; Y143-N453 HydrophobicContact CE2-CB 3.94Å; Y143-Q458 PolarHBondContact O-OE1 2.8Å; Y143-R462 PolarHBondContact O-NH2 2.85Å; Y143-H475 AromaticContact CE2-CE1 3.65Å; Y143-H475 AromaticContact CE2-NE2 3.99Å
144R88.7Confident87.7Confident69 Ų6965.1 Ų65.126%0.2631%0.306SS..SBendtrans-78.2-40.5176.2-65.1-174178.9-127.31.3111.5D148 R462 E493 D497R144-D148 WeakPolarHBondContact CA-OD2 3.35Å; R144-D148 PolarHBondContact N-OD2 3.35Å; R144-R462 PolarHBondContact O-NE 3.41Å; R144-E493 IonicContact CZ-OE2 2.66Å; R144-E493 VanDerWaalsContact CZ-OE2 3.22Å; R144-E493 IonicContact NE-OE2 2.85Å; R144-E493 PolarHBondContact NE-OE2 2.81Å; R144-E493 PolarHBondContact NH2-O 3.3Å; R144-E493 IonicContact NH2-OE2 2.66Å; R144-E493 PolarHBondContact NH2-OE2 3.24Å; R144-D497 IonicContact CZ-OD1 3.07Å; R144-D497 VanDerWaalsContact CZ-OD1 3.28Å; R144-D497 IonicContact CZ-OD2 2.8Å; R144-D497 IonicContact NH1-OD1 3.18Å; R144-D497 PolarHBondContact NH1-OD1 2.59Å; R144-D497 IonicContact NH1-OD2 2.67Å; R144-D497 PolarHBondContact NH1-OD2 3.29Å; R144-D497 IonicContact NH2-OD1 2.59Å; R144-D497 PolarHBondContact NH2-OD1 3.38Å; R144-D497 IonicContact NH2-OD2 3.22Å; R144-D497 PolarHBondContact NH2-OD2 2.94Å
145K88.7Confident87.7Confident135 Ų13569.6 Ų69.659%0.58733%0.33SS*.SBendtrans-129.1158.3-174.2-62.9179.1-174.7176.60111.1S147 D148K145-S147 PolarHBondContact O-N 3.25Å; K145-D148 PolarHBondContact N-OD2 3.13Å; K145-D148 WeakPolarHBondContact O-CB 3.38Å; K145-D148 PolarHBondContact O-N 2.97Å
146P87.1Confident87.7Confident67 Ų6769.9 Ų69.944%0.43534%0.338SS..Hα-helixtrans-53-37.4174.9-21.727.8000113.3D148 F149 Y150 Y454P146-D148 PolarHBondContact O-N 2.92Å; P146-F149 PolarHBondContact O-N 3.42Å; P146-Y150 HydrophobicContact CB-CD2 4.01Å; P146-Y150 HydrophobicContact CB-CE2 4.48Å; P146-Y150 VanDerWaalsContact O-CD2 3.27Å; P146-Y150 WeakPolarHBondContact O-CD2 3.33Å; P146-Y150 PolarHBondContact O-N 3.41Å; P146-Y454 HydrophobicContact CB-CE2 4.37Å; P146-Y454 HydrophobicContact CG-CE2 4.38Å; P146-Y454 WeakPolarHBondContact CG-OH 3.49Å
147S90.3Very high87.8Confident71 Ų7163.9 Ų63.950%0.49732%0.317SS..Hα-helixtrans-60.6-24.3179.253.30000114.2K145 F149K145-S147 PolarHBondContact O-N 3.25Å; S147-F149 PolarHBondContact O-N 2.83Å
148D86.8Confident87.7Confident60 Ų6062.7 Ų62.732%0.32132%0.319SS..Hα-helixtrans-70.4-24.4178.4-55.2-22000110.9Y143 R144 K145 P146 N151Y143-D148 HydrophobicContact CD1-CB 3.96Å; R144-D148 WeakPolarHBondContact CA-OD2 3.35Å; R144-D148 PolarHBondContact N-OD2 3.35Å; K145-D148 PolarHBondContact N-OD2 3.13Å; K145-D148 WeakPolarHBondContact O-CB 3.38Å; K145-D148 PolarHBondContact O-N 2.97Å; P146-D148 PolarHBondContact O-N 2.92Å; D148-N151 PolarHBondContact O-ND2 3.27Å
149F86.1Confident87.4Confident35 Ų3565.9 Ų65.915%0.15435%0.347CS..Hα-helixtrans-104.1-42.4177.7-174.9-107.1000112.6F138 Y143 P146 S147 N151 S154 N453 Y454F138-F149 HydrophobicContact CD1-CD2 4.46Å; F138-F149 AromaticContact CD1-CE2 3.87Å; F138-F149 HydrophobicContact CD1-CE2 3.87Å; F138-F149 AromaticContact CE1-CE2 3.86Å; F138-F149 HydrophobicContact CE1-CE2 3.86Å; Y143-F149 HydrophobicContact CD1-CB 3.82Å; Y143-F149 HydrophobicContact CD1-CD2 4.3Å; Y143-F149 HydrophobicContact CE1-CB 3.95Å; Y143-F149 AromaticContact CE1-CD2 3.69Å; Y143-F149 HydrophobicContact CE1-CD2 3.69Å; Y143-F149 HydrophobicContact CE1-CG 4.32Å; Y143-F149 AromaticContact CZ-CD2 3.8Å; P146-F149 PolarHBondContact O-N 3.42Å; S147-F149 PolarHBondContact O-N 2.83Å; F149-N151 VanDerWaalsContact C-N 3.27Å; F149-N151 PolarHBondContact O-N 3.05Å; F149-N151 VanDerWaalsContact O-N 3.1Å; F149-S154 WeakPolarHBondContact O-CB 3.47Å; F149-N453 HydrophobicContact CD2-CB 4.07Å; F149-N453 HydrophobicContact CE2-CB 3.52Å; F149-N453 HydrophobicContact CZ-CB 4.18Å; F149-Y454 HydrophobicContact CB-CD2 4.14Å; F149-Y454 HydrophobicContact CB-CG 4.14Å; F149-Y454 HydrophobicContact CG-CG 4.41Å
150Y87.1Confident87.2Confident113 Ų11369.3 Ų69.344%0.44336%0.36SS..SBendtrans-88.160.6179-63-69.5000111.7P146 Y455P146-Y150 HydrophobicContact CB-CD2 4.01Å; P146-Y150 HydrophobicContact CB-CE2 4.48Å; P146-Y150 VanDerWaalsContact O-CD2 3.27Å; P146-Y150 WeakPolarHBondContact O-CD2 3.33Å; P146-Y150 PolarHBondContact O-N 3.41Å; Y150-Y455 PolarHBondContact OH-OH 3.3Å
151N88.7Confident86.6Confident47 Ų4765.9 Ų65.925%0.25134%0.344SS..SBendtrans-117.516117368.575.1000110.9D148 F149 T153 S154 L155D148-N151 PolarHBondContact O-ND2 3.27Å; F149-N151 VanDerWaalsContact C-N 3.27Å; F149-N151 PolarHBondContact O-N 3.05Å; F149-N151 VanDerWaalsContact O-N 3.1Å; N151-T153 PolarHBondContact O-N 2.74Å; N151-T153 WeakPolarHBondContact OD1-CA 3.43Å; N151-T153 VanDerWaalsContact OD1-CB 3.25Å; N151-T153 WeakPolarHBondContact OD1-CB 3.49Å; N151-T153 PolarHBondContact OD1-N 3.37Å; N151-S154 PolarHBondContact ND2-OG 3.49Å; N151-S154 PolarHBondContact O-N 2.92Å; N151-S154 PolarHBondContact OD1-N 3.36Å; N151-S154 PolarHBondContact OD1-OG 3.16Å; N151-L155 WeakPolarHBondContact O-CG 3.18Å; N151-L155 PolarHBondContact O-N 3.39Å
152M87.8Confident85.9Confident134 Ų13466 Ų6666%0.6635%0.349SS*.Hα-helixtrans-58.5-36.9-176.4-75.4-50.8-41.500113.3L155 V156M152-L155 HydrophobicContact SD-CD1 4.4Å; M152-V156 HydrophobicContact CE-CG2 4.31Å; M152-V156 WeakPolarHBondContact O-CB 3.31Å; M152-V156 VanDerWaalsContact O-CG2 3.24Å; M152-V156 WeakPolarHBondContact O-CG2 3.45Å; M152-V156 PolarHBondContact O-N 2.87Å
153T88.2Confident84.8Confident76 Ų7666.5 Ų66.547%0.46635%0.351SS..Hα-helixtrans-64.6-50.5178.1-52.10000110.5Y137 N151 L155 V156 Q157Y137-T153 HydrophobicContact CD1-CG2 3.79Å; Y137-T153 HydrophobicContact CE1-CG2 3.58Å; N151-T153 PolarHBondContact O-N 2.74Å; N151-T153 WeakPolarHBondContact OD1-CA 3.43Å; N151-T153 VanDerWaalsContact OD1-CB 3.25Å; N151-T153 WeakPolarHBondContact OD1-CB 3.49Å; N151-T153 PolarHBondContact OD1-N 3.37Å; T153-L155 VanDerWaalsContact C-N 3.33Å; T153-L155 PolarHBondContact O-N 3.44Å; T153-V156 PolarHBondContact O-N 3.31Å; T153-Q157 HydrophobicContact CG2-CG 4.27Å; T153-Q157 VanDerWaalsContact O-CB 3.31Å; T153-Q157 WeakPolarHBondContact O-CB 3.29Å; T153-Q157 WeakPolarHBondContact O-CG 3.42Å; T153-Q157 PolarHBondContact O-N 3.21Å
154S85.6Confident83.3Confident11 Ų1173.4 Ų73.48%0.07739%0.388CS..Hα-helixtrans-63-37.1178.8-66.10000112.3F138 F149 N151 G158F138-S154 WeakPolarHBondContact CZ-O 3.35Å; F149-S154 WeakPolarHBondContact O-CB 3.47Å; N151-S154 PolarHBondContact ND2-OG 3.49Å; N151-S154 PolarHBondContact O-N 2.92Å; N151-S154 PolarHBondContact OD1-N 3.36Å; N151-S154 PolarHBondContact OD1-OG 3.16Å; S154-G158 WeakPolarHBondContact O-CA 3.38Å; S154-G158 PolarHBondContact O-N 3.16Å
155L87.3Confident82.1Confident96 Ų9674.2 Ų74.250%0.50340%0.397SS..Hα-helixtrans-65.5-47.6175-70.4172000112.1N151 M152 T153 Q157 G158 A159N151-L155 WeakPolarHBondContact O-CG 3.18Å; N151-L155 PolarHBondContact O-N 3.39Å; M152-L155 HydrophobicContact SD-CD1 4.4Å; T153-L155 VanDerWaalsContact C-N 3.33Å; T153-L155 PolarHBondContact O-N 3.44Å; L155-Q157 PolarHBondContact O-N 3.03Å; L155-G158 PolarHBondContact O-N 3.42Å; L155-A159 WeakPolarHBondContact O-CB 3.44Å; L155-A159 PolarHBondContact O-N 3.25Å
156V88Confident81Confident72 Ų7271.6 Ų71.644%0.43639%0.387SS..Hα-helixtrans-62.8-43.4178.4169.10000111.2M152 T153 K160M152-V156 HydrophobicContact CE-CG2 4.31Å; M152-V156 WeakPolarHBondContact O-CB 3.31Å; M152-V156 VanDerWaalsContact O-CG2 3.24Å; M152-V156 WeakPolarHBondContact O-CG2 3.45Å; M152-V156 PolarHBondContact O-N 2.87Å; T153-V156 PolarHBondContact O-N 3.31Å; V156-K160 WeakPolarHBondContact O-CG 3.36Å; V156-K160 PolarHBondContact O-N 3Å
157Q88Confident80Confident22 Ų2268.4 Ų68.410%0.10337%0.366CS..Hα-helixtrans-72.9-36.8179.9-65.1-61.7-15.700111.6I133 Y137 F138 T153 L155 A159 K160 L161I133-Q157 HydrophobicContact CG2-CB 3.81Å; Y137-Q157 HydrophobicContact CD1-CG 3.94Å; Y137-Q157 HydrophobicContact CD2-CB 4.08Å; Y137-Q157 HydrophobicContact CD2-CG 3.7Å; Y137-Q157 HydrophobicContact CE1-CG 4.02Å; Y137-Q157 HydrophobicContact CE2-CG 3.78Å; Y137-Q157 HydrophobicContact CG-CB 4.07Å; Y137-Q157 HydrophobicContact CG-CG 3.78Å; F138-Q157 HydrophobicContact CE2-CB 4.2Å; F138-Q157 HydrophobicContact CZ-CB 4.49Å; T153-Q157 HydrophobicContact CG2-CG 4.27Å; T153-Q157 VanDerWaalsContact O-CB 3.31Å; T153-Q157 WeakPolarHBondContact O-CB 3.29Å; T153-Q157 WeakPolarHBondContact O-CG 3.42Å; T153-Q157 PolarHBondContact O-N 3.21Å; L155-Q157 PolarHBondContact O-N 3.03Å; Q157-A159 PolarHBondContact O-N 3.38Å; Q157-K160 WeakPolarHBondContact O-CB 3.43Å; Q157-K160 PolarHBondContact O-N 3.02Å; Q157-L161 PolarHBondContact O-N 3.48Å
158G83.6Confident78.7Confident22 Ų2266.4 Ų66.423%0.22735%0.35CS..Hα-helixtrans-62.7-41.2174.700000112.4S154 L155 K160 L161S154-G158 WeakPolarHBondContact O-CA 3.38Å; S154-G158 PolarHBondContact O-N 3.16Å; L155-G158 PolarHBondContact O-N 3.42Å; G158-K160 VanDerWaalsContact C-N 3.25Å; G158-K160 PolarHBondContact O-N 3.25Å; G158-L161 WeakPolarHBondContact O-CB 3.42Å; G158-L161 PolarHBondContact O-N 3.13Å; G158-L161 VanDerWaalsContact O-N 3.13Å
159A83.2Confident78.1Confident77 Ų7768.2 Ų68.264%0.63636%0.357SS*.Hα-helixtrans-60.8-34.2174.300000112.7L155 Q157 L161 K162L155-A159 WeakPolarHBondContact O-CB 3.44Å; L155-A159 PolarHBondContact O-N 3.25Å; Q157-A159 PolarHBondContact O-N 3.38Å; A159-L161 VanDerWaalsContact C-N 3.31Å; A159-L161 PolarHBondContact O-N 3.47Å; A159-K162 PolarHBondContact O-N 3.33Å
160K81.4Confident77.7Confident112 Ų11267.3 Ų67.349%0.48735%0.353SS..Hα-helixtrans-70.4-24.8177-70.1175.9-178.6179.60113.6I133 V156 Q157 G158 K162I133-K160 HydrophobicContact CD1-CB 3.82Å; I133-K160 HydrophobicContact CD1-CD 4.09Å; V156-K160 WeakPolarHBondContact O-CG 3.36Å; V156-K160 PolarHBondContact O-N 3Å; Q157-K160 WeakPolarHBondContact O-CB 3.43Å; Q157-K160 PolarHBondContact O-N 3.02Å; G158-K160 VanDerWaalsContact C-N 3.25Å; G158-K160 PolarHBondContact O-N 3.25Å; K160-K162 PolarHBondContact O-N 3.32Å
161L77Confident77.4Confident9 Ų962 Ų625%0.04733%0.333CS..Hα-helixtrans-69.7-21.6179.6-69.4176.9000112.9K130 I133 A134 F138 Q157 G158 A159 T163 L201K130-L161 HydrophobicContact CB-CD2 4.01Å; K130-L161 HydrophobicContact CG-CD2 4.49Å; K130-L161 WeakPolarHBondContact O-CD2 3.35Å; I133-L161 HydrophobicContact CB-CD2 3.79Å; I133-L161 HydrophobicContact CG2-CD1 4.42Å; I133-L161 HydrophobicContact CG2-CD2 3.68Å; I133-L161 HydrophobicContact CG2-CG 3.89Å; A134-L161 HydrophobicContact CB-CD2 4.2Å; F138-L161 HydrophobicContact CD2-CD1 3.89Å; F138-L161 HydrophobicContact CE2-CD1 3.62Å; F138-L161 HydrophobicContact CZ-CD1 4.34Å; Q157-L161 PolarHBondContact O-N 3.48Å; G158-L161 WeakPolarHBondContact O-CB 3.42Å; G158-L161 PolarHBondContact O-N 3.13Å; G158-L161 VanDerWaalsContact O-N 3.13Å; A159-L161 VanDerWaalsContact C-N 3.31Å; A159-L161 PolarHBondContact O-N 3.47Å; L161-T163 HydrophobicContact CB-CG2 3.55Å; L161-T163 HydrophobicContact CD1-CG2 4.24Å; L161-T163 PolarHBondContact O-N 3.17Å; L161-L201 HydrophobicContact CD2-CD1 4.29Å
162K73.3Confident77.1Confident133 Ų13363.5 Ų63.558%0.57834%0.338SS*.THydrogen-bonded Turntrans5041.1-177.1-60.9-177.2177.8179.20113.1A159 K160 L164 N165 S200A159-K162 PolarHBondContact O-N 3.33Å; K160-K162 PolarHBondContact O-N 3.32Å; K162-L164 PolarHBondContact O-N 3.4Å; K162-N165 PolarHBondContact O-N 2.6Å; K162-S200 PolarHBondContact O-OG 3.37Å
163T63.7Low77Confident32 Ų3263.8 Ų63.820%0.19634%0.338CS..THydrogen-bonded Turntrans-67.1-6.2-17258.90000115.6L161L161-T163 HydrophobicContact CB-CG2 3.55Å; L161-T163 HydrophobicContact CD1-CG2 4.24Å; L161-T163 PolarHBondContact O-N 3.17Å
164L59.7Low76.9Confident148 Ų14863.1 Ų63.178%0.77533%0.327SS*.THydrogen-bonded Turntrans-82.5-14-177.4-64.9176.9000113.1K162K162-L164 PolarHBondContact O-N 3.4Å
165N61.6Low77.1Confident87 Ų8762.8 Ų62.847%0.46532%0.324SS..SBendtrans-83154.9172.8-63.8-0.9000109.6K162 S200K162-N165 PolarHBondContact O-N 2.6Å; N165-S200 WeakPolarHBondContact O-CB 3.5Å; N165-S200 PolarHBondContact O-N 3.38Å; N165-S200 VanDerWaalsContact O-N 3.16Å; N165-S200 PolarHBondContact O-OG 2.91Å
166H66.7Low77.1Confident79 Ų7964.6 Ų64.637%0.36633%0.334SS..BIsolated β-bridgetrans-80.8154.6177.2-59.9-80.7000111.3D168 Q169 L170 K196H166-D168 WeakPolarHBondContact CB-OD1 3.48Å; H166-Q169 HydrophobicContact CB-CB 4.45Å; H166-Q169 HydrophobicContact CB-CG 4.2Å; H166-Q169 PolarHBondContact O-N 3.21Å; H166-L170 PolarHBondContact O-N 3.49Å; H166-L170 VanDerWaalsContact O-N 3.16Å; H166-K196 PolarHBondContact CE1-O 3.33Å; H166-K196 PolarHBondContact ND1-O 3.05Å
167A65.4Low77.2Confident1 Ų162.8 Ų62.81%0.00832%0.322CS..Hα-helixtrans-64.9-39.8-178.300000112.3L170 I171A167-L170 PolarHBondContact O-N 2.97Å; A167-I171 VanDerWaalsContact O-CG1 3.29Å; A167-I171 WeakPolarHBondContact O-CG1 3.34Å; A167-I171 PolarHBondContact O-N 3.27Å; A167-I171 VanDerWaalsContact O-N 3.07Å
168D64.5Low77.2Confident28 Ų2867.3 Ų67.315%0.1534%0.344CS..Hα-helixtrans-60.1-48.7175.158.8-11.6000111.8H166 L170 I171 E172 R336H166-D168 WeakPolarHBondContact CB-OD1 3.48Å; D168-L170 VanDerWaalsContact C-N 3.26Å; D168-L170 PolarHBondContact O-N 2.84Å; D168-I171 PolarHBondContact O-N 3.37Å; D168-E172 WeakPolarHBondContact O-CB 3.32Å; D168-E172 WeakPolarHBondContact O-CG 3.4Å; D168-E172 PolarHBondContact O-N 3.2Å; D168-R336 IonicContact OD2-NH2 3.97Å
169Q73.4Confident77.3Confident99 Ų9969.4 Ų69.446%0.46335%0.346SS..Hα-helixtrans-61.1-34177.4-68.4178.8-8.100112.9H166 H173H166-Q169 HydrophobicContact CB-CB 4.45Å; H166-Q169 HydrophobicContact CB-CG 4.2Å; H166-Q169 PolarHBondContact O-N 3.21Å; Q169-H173 WeakPolarHBondContact O-CB 3.35Å; Q169-H173 PolarHBondContact O-N 3.37Å
170L76.7Confident77.6Confident15 Ų1565.8 Ų65.88%0.07932%0.316CS..Hα-helixtrans-68.7-41.5174.7-178.365.7000110.9F123 V127 H166 A167 D168 H173 Y174F123-L170 HydrophobicContact CD2-CG 4.42Å; F123-L170 HydrophobicContact CE2-CD2 4.28Å; F123-L170 HydrophobicContact CE2-CG 4.2Å; V127-L170 HydrophobicContact CG2-CD2 4.13Å; H166-L170 PolarHBondContact O-N 3.49Å; H166-L170 VanDerWaalsContact O-N 3.16Å; A167-L170 PolarHBondContact O-N 2.97Å; D168-L170 VanDerWaalsContact C-N 3.26Å; D168-L170 PolarHBondContact O-N 2.84Å; L170-H173 PolarHBondContact O-N 3.02Å; L170-Y174 HydrophobicContact CD1-CD2 4.46Å; L170-Y174 HydrophobicContact CD1-CE2 3.88Å; L170-Y174 VanDerWaalsContact O-CD2 3.27Å; L170-Y174 WeakPolarHBondContact O-CD2 3.17Å
171I80.9Confident77.9Confident3 Ų362.3 Ų62.32%0.01530%0.302CS..Hα-helixtrans-67.6-49.5178.9-65.8163.2000110F123 A167 D168 H173 Y174 I175 Q181 L184F123-I171 HydrophobicContact CD2-CG1 4.48Å; F123-I171 HydrophobicContact CE2-CB 4.43Å; F123-I171 HydrophobicContact CE2-CG1 3.58Å; F123-I171 HydrophobicContact CZ-CG1 3.78Å; A167-I171 VanDerWaalsContact O-CG1 3.29Å; A167-I171 WeakPolarHBondContact O-CG1 3.34Å; A167-I171 PolarHBondContact O-N 3.27Å; A167-I171 VanDerWaalsContact O-N 3.07Å; D168-I171 PolarHBondContact O-N 3.37Å; I171-H173 PolarHBondContact O-N 3.16Å; I171-H173 VanDerWaalsContact O-N 3.16Å; I171-Y174 PolarHBondContact O-N 2.85Å; I171-I175 HydrophobicContact CG2-CD1 4.3Å; I171-I175 PolarHBondContact O-N 3.45Å; I171-Q181 HydrophobicContact CG2-CB 4.09Å; I171-Q181 HydrophobicContact CG2-CG 3.94Å; I171-L184 HydrophobicContact CD1-CB 3.81Å; I171-L184 HydrophobicContact CG1-CB 4.32Å; I171-L184 HydrophobicContact CG1-CD1 4.43Å; I171-L184 HydrophobicContact CG2-CB 4.27Å; I171-L184 HydrophobicContact CG2-CD1 3.76Å
172E82.7Confident78.2Confident78 Ų7864 Ų6436%0.36431%0.309SS..Hα-helixtrans-56.9-28.8177.3-72.9175.6-173.200112.4D168 Y174 R336D168-E172 WeakPolarHBondContact O-CB 3.32Å; D168-E172 WeakPolarHBondContact O-CG 3.4Å; D168-E172 PolarHBondContact O-N 3.2Å; E172-Y174 VanDerWaalsContact C-N 3.28Å; E172-Y174 PolarHBondContact O-N 3.49Å; E172-R336 IonicContact OE1-NH2 2.68Å
173H85.2Confident78.8Confident140 Ų14058 Ų5865%0.64828%0.283SS*.THydrogen-bonded Turntrans-66.6-28176.5-178.259.4000113.8Q169 L170 I171Q169-H173 WeakPolarHBondContact O-CB 3.35Å; Q169-H173 PolarHBondContact O-N 3.37Å; L170-H173 PolarHBondContact O-N 3.02Å; I171-H173 PolarHBondContact O-N 3.16Å; I171-H173 VanDerWaalsContact O-N 3.16Å
174Y87Confident79.7Confident62 Ų6256.4 Ų56.424%0.24327%0.273CS..THydrogen-bonded Turntrans-108.8-22.9-175.3-72.4-76.4000113.5G119 F123 D126 L170 I171 E172G119-Y174 CarbonylContact C-O 3.58Å; G119-Y174 WeakPolarHBondContact CA-O 3.38Å; F123-Y174 HydrophobicContact CB-CD1 4.42Å; F123-Y174 HydrophobicContact CB-CD2 3.85Å; F123-Y174 HydrophobicContact CB-CG 3.76Å; F123-Y174 AromaticContact CD2-CD2 3.91Å; F123-Y174 HydrophobicContact CD2-CD2 3.91Å; F123-Y174 HydrophobicContact CG-CD2 4.4Å; D126-Y174 HydrophobicContact CB-CE2 4.47Å; L170-Y174 HydrophobicContact CD1-CD2 4.46Å; L170-Y174 HydrophobicContact CD1-CE2 3.88Å; L170-Y174 VanDerWaalsContact O-CD2 3.27Å; L170-Y174 WeakPolarHBondContact O-CD2 3.17Å; I171-Y174 PolarHBondContact O-N 2.85Å; E172-Y174 VanDerWaalsContact C-N 3.28Å; E172-Y174 PolarHBondContact O-N 3.49Å
175I89.9Confident80.5Confident4 Ų450.1 Ų50.12%0.02124%0.243CC..  trans-135.4121.6-168.6-64.9162.6000108F120 I171 I180 Q181 L184F120-I175 HydrophobicContact CB-CD1 4.44Å; F120-I175 HydrophobicContact CD2-CD1 3.75Å; I171-I175 HydrophobicContact CG2-CD1 4.3Å; I171-I175 PolarHBondContact O-N 3.45Å; I175-I180 HydrophobicContact CD1-CG2 3.98Å; I175-I180 HydrophobicContact CG1-CG2 4.48Å; I175-I180 HydrophobicContact CG2-CB 3.61Å; I175-I180 HydrophobicContact CG2-CD1 4.48Å; I175-I180 HydrophobicContact CG2-CG2 3.57Å; I175-Q181 HydrophobicContact CB-CG 4.49Å; I175-Q181 HydrophobicContact CG2-CG 4.08Å; I175-Q181 PolarHBondContact O-NE2 3.14Å; I175-L184 HydrophobicContact CD1-CD1 3.22Å
176D86.9Confident81.3Confident133 Ų13346.5 Ų46.571%0.71122%0.223SC*.  trans-86.9-36-178.5-66.4-37.7000112.2E178 Q181D176-E178 PolarHBondContact O-N 2.87Å; D176-Q181 PolarHBondContact O-NE2 2.77Å
177N90.7Very high81.6Confident35 Ų3542.7 Ų42.719%0.18721%0.205CC..  trans-68.2123.3-176.3-171.1-82.6000114.2I112 E113 K179 I180 Q181I112-N177 WeakPolarHBondContact CG2-OD1 3.44Å; E113-N177 HydrophobicContact CB-CB 4.06Å; E113-N177 HydrophobicContact CG-CB 4.5Å; E113-N177 VanDerWaalsContact OE2-CB 3.32Å; E113-N177 WeakPolarHBondContact OE2-CB 3.14Å; E113-N177 PolarHBondContact OE2-N 2.79Å; N177-K179 VanDerWaalsContact C-N 3.32Å; N177-K179 PolarHBondContact O-N 2.73Å; N177-K179 WeakPolarHBondContact OD1-CA 3.27Å; N177-K179 VanDerWaalsContact OD1-CB 3.29Å; N177-K179 WeakPolarHBondContact OD1-CB 3.32Å; N177-K179 PolarHBondContact OD1-N 2.77Å; N177-I180 HydrophobicContact CB-CB 4.39Å; N177-I180 HydrophobicContact CB-CD1 3.98Å; N177-I180 HydrophobicContact CB-CG1 4.08Å; N177-I180 PolarHBondContact O-N 3.17Å; N177-I180 PolarHBondContact OD1-N 2.58Å; N177-Q181 WeakPolarHBondContact O-CG 3.36Å; N177-Q181 PolarHBondContact O-N 2.86Å
178E87Confident81.7Confident117 Ų11742.7 Ų42.755%0.54721%0.205SC..Hα-helixtrans-58.6-36.3-178.8-167.8-172.8159.400113.7D176 Q181 K182D176-E178 PolarHBondContact O-N 2.87Å; E178-Q181 PolarHBondContact O-N 3.41Å; E178-K182 HydrophobicContact CG-CD 4.47Å; E178-K182 WeakPolarHBondContact O-CB 3.48Å; E178-K182 WeakPolarHBondContact O-CG 3.5Å; E178-K182 PolarHBondContact O-N 2.79Å; E178-K182 WeakPolarHBondContact OE1-CE 3.31Å; E178-K182 IonicContact OE1-NZ 2.93Å; E178-K182 PolarHBondContact OE1-NZ 2.81Å
179K87.3Confident81.9Confident66 Ų6642 Ų4229%0.28720%0.201SC..Hα-helixtrans-66.5-45.2178.6-67.1-174.3174.3-176.10110.9F90 D94 I96 I112 N177 Q181 K182 L183F90-K179 HydrophobicContact CD2-CD 4.41Å; F90-K179 HydrophobicContact CE2-CB 4.36Å; F90-K179 HydrophobicContact CE2-CD 4.25Å; F90-K179 HydrophobicContact CE2-CG 4.3Å; F90-K179 HydrophobicContact CZ-CB 4.12Å; F90-K179 HydrophobicContact CZ-CG 4.23Å; D94-K179 IonicContact OD1-NZ 2.68Å; D94-K179 PolarHBondContact OD1-NZ 3.17Å; D94-K179 VanDerWaalsContact OD2-CE 3.24Å; D94-K179 WeakPolarHBondContact OD2-CE 3.36Å; D94-K179 IonicContact OD2-NZ 3.67Å; D94-K179 PolarHBondContact OD2-NZ 3.48Å; I96-K179 HydrophobicContact CD1-CB 4.42Å; I96-K179 HydrophobicContact CD1-CD 4.23Å; I112-K179 HydrophobicContact CG2-CB 4.42Å; N177-K179 VanDerWaalsContact C-N 3.32Å; N177-K179 PolarHBondContact O-N 2.73Å; N177-K179 WeakPolarHBondContact OD1-CA 3.27Å; N177-K179 VanDerWaalsContact OD1-CB 3.29Å; N177-K179 WeakPolarHBondContact OD1-CB 3.32Å; N177-K179 PolarHBondContact OD1-N 2.77Å; K179-Q181 VanDerWaalsContact C-N 3.3Å; K179-Q181 PolarHBondContact O-N 3.09Å; K179-K182 PolarHBondContact O-N 3.48Å; K179-L183 WeakPolarHBondContact O-CG 3.45Å; K179-L183 PolarHBondContact O-N 2.83Å
180I89.7Confident81.9Confident1 Ų139.2 Ų39.21%0.00519%0.187CC..Hα-helixtrans-64.3-39.2177.6-54.9176000110.1L109 I112 E113 F120 I175 N177 L183 L184L109-I180 HydrophobicContact CD2-CD1 3.9Å; L109-I180 HydrophobicContact CD2-CG1 4.24Å; L109-I180 HydrophobicContact CD2-CG2 3.96Å; I112-I180 HydrophobicContact CB-CD1 4.41Å; I112-I180 HydrophobicContact CB-CG1 4.45Å; I112-I180 HydrophobicContact CD1-CG1 4.17Å; I112-I180 HydrophobicContact CG2-CD1 4.18Å; I112-I180 HydrophobicContact CG2-CG1 3.93Å; E113-I180 HydrophobicContact CB-CD1 4.5Å; F120-I180 HydrophobicContact CD2-CG2 3.88Å; F120-I180 HydrophobicContact CE2-CG2 4.19Å; I175-I180 HydrophobicContact CD1-CG2 3.98Å; I175-I180 HydrophobicContact CG1-CG2 4.48Å; I175-I180 HydrophobicContact CG2-CB 3.61Å; I175-I180 HydrophobicContact CG2-CD1 4.48Å; I175-I180 HydrophobicContact CG2-CG2 3.57Å; N177-I180 HydrophobicContact CB-CB 4.39Å; N177-I180 HydrophobicContact CB-CD1 3.98Å; N177-I180 HydrophobicContact CB-CG1 4.08Å; N177-I180 PolarHBondContact O-N 3.17Å; N177-I180 PolarHBondContact OD1-N 2.58Å; I180-L183 PolarHBondContact O-N 2.86Å; I180-L184 PolarHBondContact O-N 2.81Å
181Q86.8Confident81.3Confident39 Ų3939.5 Ų39.518%0.18219%0.188CC..Hα-helixtrans-60.3-46.1172.9-64.2176.42.300111.8I171 I175 D176 N177 E178 K179 L183 L184 A185I171-Q181 HydrophobicContact CG2-CB 4.09Å; I171-Q181 HydrophobicContact CG2-CG 3.94Å; I175-Q181 HydrophobicContact CB-CG 4.49Å; I175-Q181 HydrophobicContact CG2-CG 4.08Å; I175-Q181 PolarHBondContact O-NE2 3.14Å; D176-Q181 PolarHBondContact O-NE2 2.77Å; N177-Q181 WeakPolarHBondContact O-CG 3.36Å; N177-Q181 PolarHBondContact O-N 2.86Å; E178-Q181 PolarHBondContact O-N 3.41Å; K179-Q181 VanDerWaalsContact C-N 3.3Å; K179-Q181 PolarHBondContact O-N 3.09Å; Q181-L183 PolarHBondContact O-N 3.18Å; Q181-L184 PolarHBondContact O-N 2.86Å; Q181-A185 VanDerWaalsContact O-CB 3.29Å; Q181-A185 WeakPolarHBondContact O-CB 3.45Å; Q181-A185 PolarHBondContact O-N 3.1Å
182K83.5Confident80.6Confident44 Ų4439.3 Ų39.319%0.19119%0.187CC..Hα-helixtrans-60.2-43.6176.2-77177.8-177.6169.80112F90 E178 K179 L184 A185 F186 F331F90-K182 HydrophobicContact CD1-CD 4.48Å; F90-K182 HydrophobicContact CE1-CB 4.11Å; F90-K182 HydrophobicContact CE1-CD 3.84Å; F90-K182 HydrophobicContact CZ-CB 4.44Å; E178-K182 HydrophobicContact CG-CD 4.47Å; E178-K182 WeakPolarHBondContact O-CB 3.48Å; E178-K182 WeakPolarHBondContact O-CG 3.5Å; E178-K182 PolarHBondContact O-N 2.79Å; E178-K182 WeakPolarHBondContact OE1-CE 3.31Å; E178-K182 IonicContact OE1-NZ 2.93Å; E178-K182 PolarHBondContact OE1-NZ 2.81Å; K179-K182 PolarHBondContact O-N 3.48Å; K182-L184 VanDerWaalsContact C-N 3.26Å; K182-L184 PolarHBondContact O-N 3.01Å; K182-A185 PolarHBondContact O-N 2.68Å; K182-F186 WeakPolarHBondContact O-CB 3.42Å; K182-F186 PolarHBondContact O-N 3.17Å; K182-F331 HydrophobicContact CB-CE1 4.26Å; K182-F331 HydrophobicContact CB-CZ 4.09Å; K182-F331 WeakPolarHBondContact O-CZ 3.45Å
183L84.9Confident80Confident6 Ų635.9 Ų35.93%0.03117%0.171CC..Hα-helixtrans-55.3-41.9176.1-70.1176.7000111.9Y86 V88 F90 I96 V98 M108 K179 I180 Q181Y86-L183 HydrophobicContact CE2-CD2 4.41Å; V88-L183 HydrophobicContact CB-CD2 3.78Å; V88-L183 HydrophobicContact CG1-CD2 3.86Å; V88-L183 HydrophobicContact CG2-CD2 3.38Å; F90-L183 HydrophobicContact CZ-CD2 4.46Å; I96-L183 HydrophobicContact CD1-CD1 4.27Å; I96-L183 HydrophobicContact CG2-CD1 4.25Å; V98-L183 HydrophobicContact CG2-CD2 4.4Å; M108-L183 HydrophobicContact CE-CD1 4.38Å; K179-L183 WeakPolarHBondContact O-CG 3.45Å; K179-L183 PolarHBondContact O-N 2.83Å; I180-L183 PolarHBondContact O-N 2.86Å; Q181-L183 PolarHBondContact O-N 3.18Å
184L83.5Confident79.3Confident0 Ų029.7 Ų29.70%014%0.143CC..Hα-helixtrans-77.4-38.2178.3-67.2172.7000112.6F120 F123 I171 I175 I180 Q181 K182 P206F120-L184 HydrophobicContact CD2-CD1 4.28Å; F120-L184 HydrophobicContact CE2-CD1 4Å; F120-L184 HydrophobicContact CE2-CD2 3.79Å; F120-L184 HydrophobicContact CE2-CG 4.13Å; F120-L184 HydrophobicContact CZ-CD2 4.2Å; F123-L184 HydrophobicContact CD1-CD1 4.17Å; F123-L184 HydrophobicContact CE1-CD1 3.88Å; F123-L184 HydrophobicContact CE1-CD2 3.96Å; F123-L184 HydrophobicContact CZ-CD1 4.27Å; I171-L184 HydrophobicContact CD1-CB 3.81Å; I171-L184 HydrophobicContact CG1-CB 4.32Å; I171-L184 HydrophobicContact CG1-CD1 4.43Å; I171-L184 HydrophobicContact CG2-CB 4.27Å; I171-L184 HydrophobicContact CG2-CD1 3.76Å; I175-L184 HydrophobicContact CD1-CD1 3.22Å; I180-L184 PolarHBondContact O-N 2.81Å; Q181-L184 PolarHBondContact O-N 2.86Å; K182-L184 VanDerWaalsContact C-N 3.26Å; K182-L184 PolarHBondContact O-N 3.01Å; L184-P206 HydrophobicContact CD2-CB 3.57Å; L184-P206 HydrophobicContact CD2-CG 4.23Å
185A76.7Confident78Confident16 Ų1627.3 Ų27.313%0.13214%0.135CC..Hα-helixtrans-70.2-38.7-177.500000112.6Q181 K182 Q187 T188 F335Q181-A185 VanDerWaalsContact O-CB 3.29Å; Q181-A185 WeakPolarHBondContact O-CB 3.45Å; Q181-A185 PolarHBondContact O-N 3.1Å; K182-A185 PolarHBondContact O-N 2.68Å; A185-Q187 PolarHBondContact O-N 2.66Å; A185-Q187 VanDerWaalsContact O-N 3.16Å; A185-T188 WeakPolarHBondContact O-CB 3.28Å; A185-T188 PolarHBondContact O-N 3.46Å; A185-T188 PolarHBondContact O-OG1 3.32Å; A185-F335 HydrophobicContact CB-CE1 4.47Å
186F76.8Confident76.4Confident10 Ų1030.3 Ų30.34%0.04415%0.148CC..Hα-helixtrans-54.2-37.3-179.2164-99.5000113.1K182 T188 L189 Y190 V329 F331K182-F186 WeakPolarHBondContact O-CB 3.42Å; K182-F186 PolarHBondContact O-N 3.17Å; F186-T188 PolarHBondContact O-N 3.46Å; F186-T188 VanDerWaalsContact O-N 3.09Å; F186-L189 HydrophobicContact CD2-CD1 3.96Å; F186-L189 HydrophobicContact CE2-CD1 4.16Å; F186-L189 WeakPolarHBondContact O-CB 3.38Å; F186-L189 PolarHBondContact O-N 3.3Å; F186-Y190 HydrophobicContact CD1-CE1 4.35Å; F186-Y190 AromaticContact CE1-CE1 3.63Å; F186-Y190 HydrophobicContact CE1-CE1 3.63Å; F186-Y190 HydrophobicContact CZ-CE1 4.15Å; F186-V329 HydrophobicContact CD1-CG1 4.08Å; F186-V329 HydrophobicContact CD1-CG2 4.06Å; F186-V329 HydrophobicContact CD2-CG1 3.68Å; F186-V329 HydrophobicContact CE1-CB 4.12Å; F186-V329 HydrophobicContact CE1-CG1 3.75Å; F186-V329 HydrophobicContact CE1-CG2 3.25Å; F186-V329 HydrophobicContact CE2-CB 4.41Å; F186-V329 HydrophobicContact CE2-CG1 3.31Å; F186-V329 HydrophobicContact CE2-CG2 4.24Å; F186-V329 HydrophobicContact CG-CG1 4.06Å; F186-V329 HydrophobicContact CZ-CB 4Å; F186-V329 HydrophobicContact CZ-CG1 3.36Å; F186-V329 HydrophobicContact CZ-CG2 3.37Å; F186-F331 HydrophobicContact CB-CE1 3.75Å; F186-F331 HydrophobicContact CB-CE2 4.35Å; F186-F331 HydrophobicContact CB-CZ 3.35Å; F186-F331 HydrophobicContact CD2-CE1 4.2Å; F186-F331 HydrophobicContact CD2-CZ 4.17Å; F186-F331 HydrophobicContact CG-CE1 4.3Å; F186-F331 AromaticContact CG-CZ 3.89Å; F186-F331 HydrophobicContact CG-CZ 3.89Å
187Q74.1Confident75.1Confident0 Ų032.1 Ų32.10%015%0.145CC..G310 helixtrans-66.4-17.4-177.1-55.8-164.9300113.9Y86 A185 L189 Y190 I205 P206 E209Y86-Q187 PolarHBondContact OH-NE2 3.3Å; A185-Q187 PolarHBondContact O-N 2.66Å; A185-Q187 VanDerWaalsContact O-N 3.16Å; Q187-L189 PolarHBondContact O-N 3.39Å; Q187-Y190 VanDerWaalsContact O-CB 3.25Å; Q187-Y190 WeakPolarHBondContact O-CB 3.49Å; Q187-Y190 PolarHBondContact O-N 3.21Å; Q187-Y190 VanDerWaalsContact O-N 3.08Å; Q187-I205 HydrophobicContact CB-CG2 4.19Å; Q187-P206 HydrophobicContact CG-CB 4.43Å; Q187-E209 PolarHBondContact NE2-OE2 3.27Å; Q187-E209 PolarHBondContact OE1-OE2 2.96Å
188T67.5Low73.6Confident1 Ų130.7 Ų30.71%0.00614%0.138CC..G310 helixtrans-65.5-21.1171.265.80000112.3A185 F186 Y190 I191 I193 P195A185-T188 WeakPolarHBondContact O-CB 3.28Å; A185-T188 PolarHBondContact O-N 3.46Å; A185-T188 PolarHBondContact O-OG1 3.32Å; F186-T188 PolarHBondContact O-N 3.46Å; F186-T188 VanDerWaalsContact O-N 3.09Å; T188-Y190 PolarHBondContact O-N 2.79Å; T188-I191 WeakPolarHBondContact O-CG1 3.48Å; T188-I191 PolarHBondContact O-N 3.33Å; T188-I193 WeakPolarHBondContact O-CG1 3.3Å; T188-P195 WeakPolarHBondContact OG1-CB 3.47Å; T188-P195 VanDerWaalsContact OG1-CG 3.23Å; T188-P195 WeakPolarHBondContact OG1-CG 3.32Å
189L69.5Low72.3Confident12 Ų1225.8 Ų25.86%0.06312%0.116CC..G310 helixtrans-66.6-17.7171.2-73.4175.5000113.6F186 Q187 I191 G192 F335 I339F186-L189 HydrophobicContact CD2-CD1 3.96Å; F186-L189 HydrophobicContact CE2-CD1 4.16Å; F186-L189 WeakPolarHBondContact O-CB 3.38Å; F186-L189 PolarHBondContact O-N 3.3Å; Q187-L189 PolarHBondContact O-N 3.39Å; L189-I191 PolarHBondContact O-N 3.39Å; L189-G192 PolarHBondContact O-N 3.32Å; L189-F335 HydrophobicContact CD1-CE2 3.87Å; L189-F335 HydrophobicContact CD1-CZ 3.99Å; L189-I339 HydrophobicContact CD1-CD1 3.87Å; L189-I339 HydrophobicContact CD2-CD1 3.37Å; L189-I339 HydrophobicContact CG-CD1 3.91Å
190Y71.7Confident71.1Confident42 Ų4222.7 Ų22.717%0.16510%0.103CC..G310 helixtrans-61.5-18.5179.6-77.119.9000113.6I55 M57 F186 Q187 T188 I205 E209 F443I55-Y190 HydrophobicContact CD1-CD2 4.31Å; I55-Y190 HydrophobicContact CD1-CE1 4.11Å; I55-Y190 HydrophobicContact CD1-CE2 3.36Å; I55-Y190 WeakPolarHBondContact CD1-OH 3.34Å; I55-Y190 HydrophobicContact CG2-CE2 4.38Å; M57-Y190 HydrophobicContact CE-CD2 4.11Å; F186-Y190 HydrophobicContact CD1-CE1 4.35Å; F186-Y190 AromaticContact CE1-CE1 3.63Å; F186-Y190 HydrophobicContact CE1-CE1 3.63Å; F186-Y190 HydrophobicContact CZ-CE1 4.15Å; Q187-Y190 VanDerWaalsContact O-CB 3.25Å; Q187-Y190 WeakPolarHBondContact O-CB 3.49Å; Q187-Y190 PolarHBondContact O-N 3.21Å; Q187-Y190 VanDerWaalsContact O-N 3.08Å; T188-Y190 PolarHBondContact O-N 2.79Å; Y190-I205 HydrophobicContact CD2-CG2 4.23Å; Y190-E209 WeakPolarHBondContact CE2-OE1 3.42Å; Y190-E209 PolarHBondContact OH-OE1 2.9Å; Y190-F443 WeakPolarHBondContact O-CD1 3.49Å
191I65.6Low70Confident20 Ų2024.3 Ų24.310%0.10311%0.111CC..G310 helixtrans-115.412.8177.955.4168.1000112T188 L189 I193 Y202 I205 P447T188-I191 WeakPolarHBondContact O-CG1 3.48Å; T188-I191 PolarHBondContact O-N 3.33Å; L189-I191 PolarHBondContact O-N 3.39Å; I191-I193 HydrophobicContact CD1-CD1 3.48Å; I191-I193 VanDerWaalsContact CD1-CD1 3.48Å; I191-I193 HydrophobicContact CD1-CG1 3.92Å; I191-I193 HydrophobicContact CD1-CG2 4.33Å; I191-I193 HydrophobicContact CG1-CD1 4.07Å; I191-I193 HydrophobicContact CG1-CG1 3.92Å; I191-I193 HydrophobicContact CG1-CG2 4.28Å; I191-Y202 HydrophobicContact CD1-CD1 3.03Å; I191-Y202 HydrophobicContact CD1-CD2 4.14Å; I191-Y202 HydrophobicContact CD1-CE1 3.37Å; I191-Y202 HydrophobicContact CD1-CE2 4.39Å; I191-Y202 HydrophobicContact CD1-CG 3.49Å; I191-Y202 VanDerWaalsContact CD1-CG 3.49Å; I191-I205 HydrophobicContact CD1-CD1 3.91Å; I191-I205 HydrophobicContact CG1-CD1 4.05Å; I191-I205 HydrophobicContact CG2-CD1 3.83Å; I191-P447 HydrophobicContact CB-CG 4.49Å; I191-P447 HydrophobicContact CD1-CG 3.93Å
192G65Low69.3Low0 Ų024 Ų240%011%0.109CC..THydrogen-bonded Turntrans63.439.7174.600000114.7L189 C307 F343L189-G192 PolarHBondContact O-N 3.32Å; G192-C307 WeakPolarHBondContact CA-SG 3.43Å; G192-C307 PolarHBondContact O-N 3.49Å; G192-F343 WeakPolarHBondContact O-CZ 3.34Å
193I69.8Low68.9Low6 Ų622 Ų223%0.03110%0.1CC..  trans-118.5152.3177.471.1177000112.3T188 I191 P195 Y202 M446 P447T188-I193 WeakPolarHBondContact O-CG1 3.3Å; I191-I193 HydrophobicContact CD1-CD1 3.48Å; I191-I193 VanDerWaalsContact CD1-CD1 3.48Å; I191-I193 HydrophobicContact CD1-CG1 3.92Å; I191-I193 HydrophobicContact CD1-CG2 4.33Å; I191-I193 HydrophobicContact CG1-CD1 4.07Å; I191-I193 HydrophobicContact CG1-CG1 3.92Å; I191-I193 HydrophobicContact CG1-CG2 4.28Å; I193-P195 WeakPolarHBondContact O-CD 3.4Å; I193-Y202 HydrophobicContact CD1-CD1 4.42Å; I193-Y202 HydrophobicContact CD1-CD2 3.28Å; I193-Y202 HydrophobicContact CD1-CE2 3.86Å; I193-Y202 HydrophobicContact CD1-CG 3.64Å; I193-M446 HydrophobicContact CG2-CG 3.83Å; I193-P447 HydrophobicContact CG2-CG 3.77Å
194D70.7Confident68.7Low10 Ų1022.6 Ų22.65%0.05310%0.103CC..  trans-70.2122.2165.4174.8-4.1000109.4K196 R197 G198 I339 F343D194-K196 PolarHBondContact O-N 2.72Å; D194-K196 VanDerWaalsContact O-N 3.14Å; D194-K196 WeakPolarHBondContact OD1-CB 3.3Å; D194-K196 PolarHBondContact OD1-N 3.5Å; D194-R197 HydrophobicContact CB-CB 4.12Å; D194-R197 HydrophobicContact CB-CG 4.26Å; D194-R197 PolarHBondContact O-N 3.16Å; D194-R197 WeakPolarHBondContact OD2-CG 3.32Å; D194-R197 IonicContact OD2-NE 3.95Å; D194-G198 PolarHBondContact O-N 3.35Å; D194-I339 HydrophobicContact CB-CG2 3.74Å; D194-I339 WeakPolarHBondContact OD1-CG2 3.32Å; D194-F343 HydrophobicContact CB-CD2 3.7Å; D194-F343 HydrophobicContact CB-CE2 3.6Å; D194-F343 HydrophobicContact CB-CG 4.42Å; D194-F343 HydrophobicContact CB-CZ 4.23Å; D194-F343 VanDerWaalsContact N-CE2 3.28Å; D194-F343 VanDerWaalsContact N-CZ 3.27Å
195P59.4Low68.7Low11 Ų1123.5 Ų23.57%0.07111%0.108CC..THydrogen-bonded Turntrans-53.2-31.1176.2-9.59.7000114.1T188 I193 F335T188-P195 WeakPolarHBondContact OG1-CB 3.47Å; T188-P195 VanDerWaalsContact OG1-CG 3.23Å; T188-P195 WeakPolarHBondContact OG1-CG 3.32Å; I193-P195 WeakPolarHBondContact O-CD 3.4Å; P195-F335 HydrophobicContact CG-CE1 4.48Å
196K57.7Low68.9Low68 Ų6822.8 Ų22.830%0.29610%0.102SC..THydrogen-bonded Turntrans-73.8-33.9177.8-66.4-178.1-179.6172.40112.3H166 D194 E340H166-K196 PolarHBondContact CE1-O 3.33Å; H166-K196 PolarHBondContact ND1-O 3.05Å; D194-K196 PolarHBondContact O-N 2.72Å; D194-K196 VanDerWaalsContact O-N 3.14Å; D194-K196 WeakPolarHBondContact OD1-CB 3.3Å; D194-K196 PolarHBondContact OD1-N 3.5Å; K196-E340 IonicContact NZ-OE1 2.83Å; K196-E340 PolarHBondContact NZ-OE1 3.41Å
197R59Low69.5Low171 Ų17122.3 Ų22.365%0.64510%0.1SC*.THydrogen-bonded Turntrans-92-15.1179.8-62.3177.9-177.3-169.92.4112.2D194D194-R197 HydrophobicContact CB-CB 4.12Å; D194-R197 HydrophobicContact CB-CG 4.26Å; D194-R197 PolarHBondContact O-N 3.16Å; D194-R197 WeakPolarHBondContact OD2-CG 3.32Å; D194-R197 IonicContact OD2-NE 3.95Å
198G59.1Low70Confident4 Ų422.9 Ų22.94%0.04110%0.103CC..SBendtrans-69.3130.8176.200000112.6D194D194-G198 PolarHBondContact O-N 3.35Å
199P60.8Low70.9Confident14 Ų1422.9 Ų22.99%0.09110%0.103CC..BIsolated β-bridgetrans-46.6140162.8-29.331.4000112L201 Y202 L449P199-L201 HydrophobicContact CB-CB 4.15Å; P199-L201 PolarHBondContact O-N 3.36Å; P199-Y202 HydrophobicContact CB-CD2 4.1Å; P199-Y202 HydrophobicContact CB-CE2 3.99Å; P199-Y202 HydrophobicContact CG-CD2 4.22Å; P199-Y202 HydrophobicContact CG-CE2 3.74Å; P199-Y202 WeakPolarHBondContact O-CD2 3.47Å; P199-Y202 PolarHBondContact O-N 2.91Å; P199-L449 HydrophobicContact CB-CD2 4.11Å; P199-L449 HydrophobicContact CG-CD2 3.74Å; P199-L449 HydrophobicContact CG-CG 3.8Å
200S61.6Low71.6Confident1 Ų123 Ų231%0.00710%0.103CC..G310 helixtrans-53.2-18.9172.966.10000113.7K162 N165 Y202 S203K162-S200 PolarHBondContact O-OG 3.37Å; N165-S200 WeakPolarHBondContact O-CB 3.5Å; N165-S200 PolarHBondContact O-N 3.38Å; N165-S200 VanDerWaalsContact O-N 3.16Å; N165-S200 PolarHBondContact O-OG 2.91Å; S200-Y202 PolarHBondContact O-N 3.07Å; S200-S203 WeakPolarHBondContact O-CB 3.31Å; S200-S203 PolarHBondContact O-N 3.27Å; S200-S203 VanDerWaalsContact O-N 3.15Å; S200-S203 PolarHBondContact O-OG 2.93Å
201L65.9Low72.2Confident35 Ų3525.2 Ų25.218%0.18312%0.116CC..G310 helixtrans-54.3-27.8174-16967.7000112.8A134 L161 P199 S203 I204A134-L201 HydrophobicContact CB-CD1 3.83Å; L161-L201 HydrophobicContact CD2-CD1 4.29Å; P199-L201 HydrophobicContact CB-CB 4.15Å; P199-L201 PolarHBondContact O-N 3.36Å; L201-S203 PolarHBondContact O-N 2.85Å; L201-I204 HydrophobicContact CD1-CD1 3.4Å; L201-I204 HydrophobicContact CG-CD1 3.92Å; L201-I204 WeakPolarHBondContact O-CB 3.2Å; L201-I204 VanDerWaalsContact O-CD1 3.28Å; L201-I204 WeakPolarHBondContact O-CD1 3.31Å; L201-I204 WeakPolarHBondContact O-CG1 3.41Å; L201-I204 PolarHBondContact O-N 3.39Å
202Y73.4Confident73.2Confident33 Ų3327.3 Ų27.313%0.12913%0.125CC..G310 helixtrans-75.5-10.1-179.2-66-61.9000114.6I191 I193 P199 S200 I204 I205 P447I191-Y202 HydrophobicContact CD1-CD1 3.03Å; I191-Y202 HydrophobicContact CD1-CD2 4.14Å; I191-Y202 HydrophobicContact CD1-CE1 3.37Å; I191-Y202 HydrophobicContact CD1-CE2 4.39Å; I191-Y202 HydrophobicContact CD1-CG 3.49Å; I191-Y202 VanDerWaalsContact CD1-CG 3.49Å; I193-Y202 HydrophobicContact CD1-CD1 4.42Å; I193-Y202 HydrophobicContact CD1-CD2 3.28Å; I193-Y202 HydrophobicContact CD1-CE2 3.86Å; I193-Y202 HydrophobicContact CD1-CG 3.64Å; P199-Y202 HydrophobicContact CB-CD2 4.1Å; P199-Y202 HydrophobicContact CB-CE2 3.99Å; P199-Y202 HydrophobicContact CG-CD2 4.22Å; P199-Y202 HydrophobicContact CG-CE2 3.74Å; P199-Y202 WeakPolarHBondContact O-CD2 3.47Å; P199-Y202 PolarHBondContact O-N 2.91Å; S200-Y202 PolarHBondContact O-N 3.07Å; Y202-I204 PolarHBondContact O-N 3.17Å; Y202-I205 HydrophobicContact CD1-CD1 4.46Å; Y202-I205 PolarHBondContact O-N 3.45Å; Y202-P447 HydrophobicContact CE1-CB 4.29Å; Y202-P447 HydrophobicContact CE1-CG 4.13Å; Y202-P447 HydrophobicContact CE2-CG 4.36Å; Y202-P447 VanDerWaalsContact CE2-O 3.27Å; Y202-P447 WeakPolarHBondContact CE2-O 3.45Å; Y202-P447 WeakPolarHBondContact OH-CB 3.2Å; Y202-P447 PolarHBondContact OH-O 3Å
203S74.5Confident74.4Confident2 Ų227.4 Ų27.41%0.01413%0.125CC..G310 helixtrans-61.2-13166.378.60000112.6V127 S200 L201 I205 P206 M207V127-S203 WeakPolarHBondContact CG1-O 3.11Å; V127-S203 WeakPolarHBondContact CG2-OG 3.49Å; S200-S203 WeakPolarHBondContact O-CB 3.31Å; S200-S203 PolarHBondContact O-N 3.27Å; S200-S203 VanDerWaalsContact O-N 3.15Å; S200-S203 PolarHBondContact O-OG 2.93Å; L201-S203 PolarHBondContact O-N 2.85Å; S203-I205 PolarHBondContact O-N 2.77Å; S203-P206 VanDerWaalsContact O-CD 3.26Å; S203-P206 WeakPolarHBondContact O-CD 3.37Å; S203-P206 VanDerWaalsContact O-CG 3.25Å; S203-P206 WeakPolarHBondContact O-CG 3.41Å; S203-M207 PolarHBondContact O-N 3.06Å
204I80.8Confident75.5Confident18 Ų1827.1 Ų27.19%0.09212%0.124CC..Hα-helixtrans-58.7-33170.9-70.9174000112.1V127 Y131 A134 L201 Y202 M207 I208V127-I204 HydrophobicContact CG1-CB 4.34Å; V127-I204 HydrophobicContact CG1-CG1 3.85Å; Y131-I204 HydrophobicContact CD2-CD1 4.4Å; Y131-I204 HydrophobicContact CD2-CG2 3.52Å; Y131-I204 HydrophobicContact CE2-CG2 4.33Å; Y131-I204 HydrophobicContact CG-CG2 4.07Å; A134-I204 HydrophobicContact CB-CD1 4.15Å; L201-I204 HydrophobicContact CD1-CD1 3.4Å; L201-I204 HydrophobicContact CG-CD1 3.92Å; L201-I204 WeakPolarHBondContact O-CB 3.2Å; L201-I204 VanDerWaalsContact O-CD1 3.28Å; L201-I204 WeakPolarHBondContact O-CD1 3.31Å; L201-I204 WeakPolarHBondContact O-CG1 3.41Å; L201-I204 PolarHBondContact O-N 3.39Å; Y202-I204 PolarHBondContact O-N 3.17Å; I204-M207 HydrophobicContact CB-CE 4.47Å; I204-M207 HydrophobicContact CG2-CE 3.97Å; I204-M207 PolarHBondContact O-N 2.87Å; I204-I208 HydrophobicContact CG2-CD1 3.55Å; I204-I208 HydrophobicContact CG2-CG1 4.05Å; I204-I208 VanDerWaalsContact O-CG1 3.3Å; I204-I208 WeakPolarHBondContact O-CG1 3.37Å; I204-I208 PolarHBondContact O-N 3.39Å
205I82.4Confident76.7Confident20 Ų2027.6 Ų27.610%0.10313%0.126CC..Hα-helixtrans-61.4-54.9-178.5-60.8173.5000111M57 Q187 Y190 I191 Y202 S203 M207 I208 E209M57-I205 HydrophobicContact SD-CG2 4.26Å; Q187-I205 HydrophobicContact CB-CG2 4.19Å; Y190-I205 HydrophobicContact CD2-CG2 4.23Å; I191-I205 HydrophobicContact CD1-CD1 3.91Å; I191-I205 HydrophobicContact CG1-CD1 4.05Å; I191-I205 HydrophobicContact CG2-CD1 3.83Å; Y202-I205 HydrophobicContact CD1-CD1 4.46Å; Y202-I205 PolarHBondContact O-N 3.45Å; S203-I205 PolarHBondContact O-N 2.77Å; I205-M207 VanDerWaalsContact C-N 3.26Å; I205-M207 PolarHBondContact O-N 3.29Å; I205-I208 WeakPolarHBondContact O-CB 3.46Å; I205-I208 PolarHBondContact O-N 3.18Å; I205-E209 PolarHBondContact O-N 3.08Å
206P82.7Confident78.5Confident0 Ų027.6 Ų27.60%012%0.124CC..Hα-helixtrans-61.9-33174.518.7-28.9000114.6L184 Q187 S203 I208 M210L184-P206 HydrophobicContact CD2-CB 3.57Å; L184-P206 HydrophobicContact CD2-CG 4.23Å; Q187-P206 HydrophobicContact CG-CB 4.43Å; S203-P206 VanDerWaalsContact O-CD 3.26Å; S203-P206 WeakPolarHBondContact O-CD 3.37Å; S203-P206 VanDerWaalsContact O-CG 3.25Å; S203-P206 WeakPolarHBondContact O-CG 3.41Å; P206-I208 VanDerWaalsContact C-N 3.33Å; P206-I208 PolarHBondContact O-N 3.28Å; P206-M210 VanDerWaalsContact O-CB 3.3Å; P206-M210 WeakPolarHBondContact O-CB 3.46Å; P206-M210 WeakPolarHBondContact O-CG 3.45Å; P206-M210 PolarHBondContact O-N 3.47Å
207M87.5Confident80.4Confident0 Ų024.4 Ų24.40%011%0.111CC..Hα-helixtrans-62.9-42.4171.9177.8-76.5-60.300111.9L124 V127 Y128 Y131 S203 I204 I205 M210 M211L124-M207 HydrophobicContact CD2-CB 3.97Å; L124-M207 HydrophobicContact CD2-CG 4.13Å; V127-M207 HydrophobicContact CB-CB 4.04Å; V127-M207 HydrophobicContact CB-CG 4.16Å; V127-M207 HydrophobicContact CG1-CB 3.5Å; V127-M207 VanDerWaalsContact CG1-CB 3.5Å; V127-M207 HydrophobicContact CG1-CE 4.24Å; V127-M207 HydrophobicContact CG1-CG 3.94Å; Y128-M207 HydrophobicContact CD2-CE 4.35Å; Y128-M207 HydrophobicContact CD2-SD 3.74Å; Y128-M207 HydrophobicContact CG-SD 4.45Å; Y131-M207 HydrophobicContact CD1-CE 3.84Å; Y131-M207 HydrophobicContact CD2-CE 4.32Å; Y131-M207 HydrophobicContact CG-CE 3.59Å; S203-M207 PolarHBondContact O-N 3.06Å; I204-M207 HydrophobicContact CB-CE 4.47Å; I204-M207 HydrophobicContact CG2-CE 3.97Å; I204-M207 PolarHBondContact O-N 2.87Å; I205-M207 VanDerWaalsContact C-N 3.26Å; I205-M207 PolarHBondContact O-N 3.29Å; M207-M210 PolarHBondContact O-N 3.47Å; M207-M211 HydrophobicContact CG-CG 4.25Å; M207-M211 HydrophobicContact CG-SD 3.71Å; M207-M211 WeakPolarHBondContact O-CB 3.29Å; M207-M211 VanDerWaalsContact O-CG 3.29Å; M207-M211 WeakPolarHBondContact O-CG 3.22Å; M207-M211 PolarHBondContact O-N 2.89Å; M207-M211 HydrophobicContact SD-CB 4.41Å; M207-M211 HydrophobicContact SD-CG 4.09Å; M207-M211 HydrophobicContact SD-SD 3.39Å
208I85.2Confident82.2Confident13 Ų1321.6 Ų21.67%0.06710%0.103CC..Hα-helixtrans-62.6-47179-74.4167.6000111.1M57 M58 Y131 I204 I205 P206 M211 F212M57-I208 HydrophobicContact CB-CG2 4.06Å; M57-I208 HydrophobicContact SD-CG2 4.46Å; M58-I208 HydrophobicContact CG-CD1 4.22Å; M58-I208 HydrophobicContact CG-CG2 3.56Å; M58-I208 HydrophobicContact SD-CD1 3.84Å; Y131-I208 HydrophobicContact CD2-CD1 4.39Å; Y131-I208 HydrophobicContact CE2-CD1 4.09Å; I204-I208 HydrophobicContact CG2-CD1 3.55Å; I204-I208 HydrophobicContact CG2-CG1 4.05Å; I204-I208 VanDerWaalsContact O-CG1 3.3Å; I204-I208 WeakPolarHBondContact O-CG1 3.37Å; I204-I208 PolarHBondContact O-N 3.39Å; I205-I208 WeakPolarHBondContact O-CB 3.46Å; I205-I208 PolarHBondContact O-N 3.18Å; P206-I208 VanDerWaalsContact C-N 3.33Å; P206-I208 PolarHBondContact O-N 3.28Å; I208-M211 PolarHBondContact O-N 3.33Å; I208-F212 HydrophobicContact CB-CD2 4.27Å; I208-F212 HydrophobicContact CG1-CD2 4.37Å; I208-F212 HydrophobicContact CG1-CE2 4.4Å; I208-F212 HydrophobicContact CG2-CD2 4.02Å; I208-F212 WeakPolarHBondContact O-CB 3.43Å; I208-F212 WeakPolarHBondContact O-CD2 3.2Å; I208-F212 PolarHBondContact O-N 2.86Å
209E86Confident83.9Confident1 Ų122.2 Ų22.21%0.00511%0.11CC..Hα-helixtrans-63.8-45.6-179.8-67.2-158.6141.900112M57 I85 Q187 Y190 I205 M211 G213 V214M57-E209 HydrophobicContact CG-CG 4.02Å; M57-E209 HydrophobicContact SD-CG 3.54Å; M57-E209 VanDerWaalsContact SD-CG 3.54Å; I85-E209 HydrophobicContact CD1-CB 4.45Å; Q187-E209 PolarHBondContact NE2-OE2 3.27Å; Q187-E209 PolarHBondContact OE1-OE2 2.96Å; Y190-E209 WeakPolarHBondContact CE2-OE1 3.42Å; Y190-E209 PolarHBondContact OH-OE1 2.9Å; I205-E209 PolarHBondContact O-N 3.08Å; E209-M211 VanDerWaalsContact C-N 3.34Å; E209-M211 PolarHBondContact O-N 3.23Å; E209-G213 WeakPolarHBondContact O-CA 3.31Å; E209-G213 PolarHBondContact O-N 3.43Å; E209-V214 HydrophobicContact CB-CG2 4.47Å; E209-V214 HydrophobicContact CG-CG2 4.25Å
210M85.2Confident85.6Confident15 Ų1521.6 Ų21.67%0.07411%0.106CC..Hα-helixtrans-70.2-32.2-177.8-62.3-72.7169.100112I85 V98 L105 F120 L124 P206 M207I85-M210 HydrophobicContact CD1-SD 4.03Å; V98-M210 HydrophobicContact CG1-CE 3.65Å; V98-M210 HydrophobicContact CG1-SD 3.96Å; L105-M210 HydrophobicContact CD1-SD 4.14Å; L105-M210 HydrophobicContact CD2-SD 4.07Å; F120-M210 HydrophobicContact CZ-CE 4.48Å; F120-M210 HydrophobicContact CZ-CG 4.05Å; F120-M210 HydrophobicContact CZ-SD 4.04Å; L124-M210 HydrophobicContact CD1-CB 4.24Å; L124-M210 HydrophobicContact CD2-CB 4.15Å; P206-M210 VanDerWaalsContact O-CB 3.3Å; P206-M210 WeakPolarHBondContact O-CB 3.46Å; P206-M210 WeakPolarHBondContact O-CG 3.45Å; P206-M210 PolarHBondContact O-N 3.47Å; M207-M210 PolarHBondContact O-N 3.47Å
211M84.7Confident87.2Confident88 Ų8821.7 Ų21.743%0.43311%0.106SC..Hα-helixtrans-88.5-38.9-178.7-71.2-169.560.600114.1Y128 M207 I208 E209Y128-M211 HydrophobicContact CD2-CE 3.5Å; Y128-M211 HydrophobicContact CD2-SD 3.57Å; Y128-M211 VanDerWaalsContact CD2-SD 3.57Å; Y128-M211 HydrophobicContact CE2-CE 3.78Å; Y128-M211 HydrophobicContact CE2-SD 4.37Å; Y128-M211 HydrophobicContact CG-CE 4.09Å; Y128-M211 HydrophobicContact CG-SD 4.08Å; M207-M211 HydrophobicContact CG-CG 4.25Å; M207-M211 HydrophobicContact CG-SD 3.71Å; M207-M211 WeakPolarHBondContact O-CB 3.29Å; M207-M211 VanDerWaalsContact O-CG 3.29Å; M207-M211 WeakPolarHBondContact O-CG 3.22Å; M207-M211 PolarHBondContact O-N 2.89Å; M207-M211 HydrophobicContact SD-CB 4.41Å; M207-M211 HydrophobicContact SD-CG 4.09Å; M207-M211 HydrophobicContact SD-SD 3.39Å; I208-M211 PolarHBondContact O-N 3.33Å; E209-M211 VanDerWaalsContact C-N 3.34Å; E209-M211 PolarHBondContact O-N 3.23Å
212F85.5Confident88.7Confident64 Ų6421.3 Ų21.328%0.28110%0.103SC..Hα-helixtrans-103.5-9.7-175.6-58.8-73.2000112.9Q81 Y128 I208 H215Q81-F212 PolarHBondContact NE2-O 3.45Å; Y128-F212 HydrophobicContact CE2-CZ 4.19Å; I208-F212 HydrophobicContact CB-CD2 4.27Å; I208-F212 HydrophobicContact CG1-CD2 4.37Å; I208-F212 HydrophobicContact CG1-CE2 4.4Å; I208-F212 HydrophobicContact CG2-CD2 4.02Å; I208-F212 WeakPolarHBondContact O-CB 3.43Å; I208-F212 WeakPolarHBondContact O-CD2 3.2Å; I208-F212 PolarHBondContact O-N 2.86Å; F212-H215 PolarHBondContact O-CE1 3.11Å
213G90Very high89.8Confident1 Ų120.1 Ų20.11%0.0110%0.1CC..  trans70.6170.7-174.800000113.3E209E209-G213 WeakPolarHBondContact O-CA 3.31Å; E209-G213 PolarHBondContact O-N 3.43Å
214V93.1Very high90.9Very high1 Ų120 Ų201%0.00610%0.1CC..  trans-101143.9171176.30000109.4I55 L82 I85 E209I55-V214 HydrophobicContact CG2-CG1 3.75Å; I55-V214 HydrophobicContact CG2-CG2 4Å; L82-V214 WeakPolarHBondContact CB-O 3.24Å; L82-V214 HydrophobicContact CD1-CB 4.36Å; L82-V214 HydrophobicContact CD1-CG1 3.82Å; L82-V214 PolarHBondContact N-O 2.81Å; I85-V214 HydrophobicContact CB-CG2 4.46Å; I85-V214 HydrophobicContact CG2-CB 4.36Å; I85-V214 HydrophobicContact CG2-CG2 3.58Å; E209-V214 HydrophobicContact CB-CG2 4.47Å; E209-V214 HydrophobicContact CG-CG2 4.25Å
215H96Very high91.7Very high19 Ų1919.2 Ų19.29%0.08810%0.095CC..EExtended strand (participates in β ladder)trans-118.4168.2-179.9-63.664.3000110.9V56 L79 R80 Q81 F212V56-H215 HydrophobicContact CB-CB 3.96Å; V56-H215 VanDerWaalsContact CB-O 3.29Å; V56-H215 WeakPolarHBondContact CB-O 3.15Å; V56-H215 HydrophobicContact CG1-CB 3.99Å; V56-H215 WeakPolarHBondContact CG2-O 3.37Å; V56-H215 PolarHBondContact O-N 2.84Å; L79-H215 HydrophobicContact CD1-CB 3.65Å; L79-H215 HydrophobicContact CG-CB 4.15Å; R80-H215 CarbonylContact O-C 3.47Å; R80-H215 WeakPolarHBondContact O-CA 3.48Å; R80-H215 WeakPolarHBondContact O-CB 3.49Å; Q81-H215 VanDerWaalsContact CA-CD2 3.49Å; Q81-H215 WeakPolarHBondContact CA-CD2 3.35Å; F212-H215 PolarHBondContact O-CE1 3.11Å
216F97Very high92.5Very high11 Ų1123 Ų235%0.04811%0.112CC..EExtended strand (participates in β ladder)trans-127.1139.7170.7-179.5-92.9000109.8R80 L82 L326 Y356 A361 D362 L365R80-F216 PolarHBondContact N-O 3.02Å; R80-F216 PolarHBondContact O-N 2.73Å; L82-F216 HydrophobicContact CD2-CB 3.86Å; L82-F216 HydrophobicContact CG-CB 4.34Å; F216-L326 HydrophobicContact CB-CD2 4.41Å; F216-L326 HydrophobicContact CD2-CD1 4.34Å; F216-L326 HydrophobicContact CD2-CD2 3.77Å; F216-L326 HydrophobicContact CE2-CD1 4.31Å; F216-L326 HydrophobicContact CG-CD2 4.45Å; F216-Y356 WeakPolarHBondContact CE2-OH 3.45Å; F216-A361 HydrophobicContact CB-CB 4.27Å; F216-A361 HydrophobicContact CD1-CB 3.68Å; F216-A361 HydrophobicContact CD2-CB 3.61Å; F216-A361 HydrophobicContact CE1-CB 3.81Å; F216-A361 HydrophobicContact CE2-CB 3.71Å; F216-A361 HydrophobicContact CG-CB 3.58Å; F216-A361 HydrophobicContact CZ-CB 3.82Å; F216-D362 HydrophobicContact CE1-CB 3.61Å; F216-D362 HydrophobicContact CZ-CB 3.61Å; F216-L365 HydrophobicContact CZ-CD1 4.01Å
217I97.6Very high93.2Very high2 Ų223.1 Ų23.11%0.0111%0.114CC..EExtended strand (participates in β ladder)trans-102.6129173.4-64.2171.5000107.2V56 Y62 E78 L79 G219 G220 M221 M224V56-I217 HydrophobicContact CG1-CD1 4.32Å; V56-I217 HydrophobicContact CG2-CD1 3.96Å; V56-I217 HydrophobicContact CG2-CG1 3.93Å; Y62-I217 HydrophobicContact CD1-CD1 3.99Å; Y62-I217 HydrophobicContact CE1-CD1 4.1Å; E78-I217 WeakPolarHBondContact O-CA 3.46Å; L79-I217 HydrophobicContact CD1-CD1 4.19Å; L79-I217 HydrophobicContact CD1-CG1 3.44Å; L79-I217 VanDerWaalsContact CD1-CG1 3.44Å; I217-G219 PolarHBondContact O-N 3.14Å; I217-G220 CarbonylContact O-C 3.59Å; I217-G220 WeakPolarHBondContact O-CA 3.44Å; I217-G220 PolarHBondContact O-N 2.8Å; I217-M221 HydrophobicContact CD1-SD 4.31Å; I217-M224 HydrophobicContact CD1-CB 3.83Å
218K96.7Very high93.7Very high111 Ų11123.1 Ų23.148%0.48311%0.114SC..THydrogen-bonded Turntrans-55.2138.2176.8-176.9170.9178.4178.90111.5E78E78-K218 HydrophobicContact CB-CB 3.85Å; E78-K218 HydrophobicContact CB-CD 4.3Å; E78-K218 PolarHBondContact O-N 2.81Å; E78-K218 WeakPolarHBondContact OE2-CD 3.22Å; E78-K218 IonicContact OE2-NZ 3.53Å; E78-K218 PolarHBondContact OE2-NZ 2.81Å; E78-K218 VanDerWaalsContact OE2-NZ 3.15Å
219G96.2Very high94.4Very high17 Ų1723.5 Ų23.518%0.17512%0.119CC..THydrogen-bonded Turntrans73.913.8-171.400000113.5Q41 I217 D362Q41-G219 PolarHBondContact NE2-O 3.34Å; I217-G219 PolarHBondContact O-N 3.14Å; G219-D362 PolarHBondContact N-OD2 3.31Å
220G96Very high95Very high1 Ų127.3 Ų27.31%0.0114%0.137CC..SBendtrans78.5-170.5-17800000113.1D50 I217 Y222 G223D50-G220 VanDerWaalsContact OD2-CA 3.24Å; D50-G220 WeakPolarHBondContact OD2-CA 3.18Å; I217-G220 CarbonylContact O-C 3.59Å; I217-G220 WeakPolarHBondContact O-CA 3.44Å; I217-G220 PolarHBondContact O-N 2.8Å; G220-Y222 PolarHBondContact O-N 3.03Å; G220-G223 PolarHBondContact O-N 2.93Å
221M96Very high95.6Very high3 Ų326.6 Ų26.62%0.01513%0.134CC..THydrogen-bonded Turntrans-62-31.5179.6-82-71.2-93.300112.4M39 D50 P53 V56 Y62 I217 G223 M224 V480M39-M221 HydrophobicContact CE-CB 4.43Å; M39-M221 HydrophobicContact CE-CE 3.56Å; M39-M221 HydrophobicContact CE-SD 4.13Å; M39-M221 HydrophobicContact CG-CB 4.14Å; M39-M221 VanDerWaalsContact CG-O 3.31Å; M39-M221 WeakPolarHBondContact CG-O 3.43Å; D50-M221 VanDerWaalsContact CG-N 3.3Å; D50-M221 PolarHBondContact OD1-N 3.43Å; D50-M221 PolarHBondContact OD2-N 2.68Å; P53-M221 HydrophobicContact CB-CE 3.58Å; P53-M221 HydrophobicContact CG-CB 4.44Å; P53-M221 HydrophobicContact CG-CE 3.78Å; P53-M221 WeakPolarHBondContact O-CB 3.49Å; P53-M221 WeakPolarHBondContact O-CG 3.49Å; V56-M221 HydrophobicContact CG2-SD 3.44Å; V56-M221 WeakPolarHBondContact CG2-SD 3.44Å; Y62-M221 HydrophobicContact CE1-CE 4.42Å; I217-M221 HydrophobicContact CD1-SD 4.31Å; M221-G223 PolarHBondContact O-N 3.26Å; M221-G223 VanDerWaalsContact O-N 3.16Å; M221-M224 WeakPolarHBondContact O-CB 3.34Å; M221-M224 PolarHBondContact O-N 3.49Å; M221-V480 HydrophobicContact CE-CB 4.23Å; M221-V480 HydrophobicContact CE-CG1 4.32Å; M221-V480 HydrophobicContact CE-CG2 3.71Å
222Y96.9Very high96.3Very high28 Ų2822.4 Ų22.411%0.1111%0.113CC..Hα-helixtrans-59.3-24.1172.3-167.5-119.3000114.2N34 V35 M39 Q41 D50 G220 M224 A225 Q226N34-Y222 PolarHBondContact ND2-OH 3.43Å; V35-Y222 WeakPolarHBondContact O-CE2 3.38Å; M39-Y222 VanDerWaalsContact O-CD2 3.3Å; M39-Y222 WeakPolarHBondContact O-CD2 3.05Å; Q41-Y222 HydrophobicContact CB-CD1 4.43Å; Q41-Y222 HydrophobicContact CB-CG 4.38Å; Q41-Y222 HydrophobicContact CG-CD1 4.22Å; Q41-Y222 HydrophobicContact CG-CG 3.98Å; D50-Y222 PolarHBondContact OD1-N 3.15Å; G220-Y222 PolarHBondContact O-N 3.03Å; Y222-M224 PolarHBondContact O-N 2.97Å; Y222-A225 HydrophobicContact CD2-CB 3.92Å; Y222-A225 HydrophobicContact CE2-CB 4.18Å; Y222-A225 WeakPolarHBondContact O-CB 3.39Å; Y222-A225 PolarHBondContact O-N 3.47Å; Y222-Q226 HydrophobicContact CD1-CG 3.75Å; Y222-Q226 HydrophobicContact CE1-CG 3.61Å; Y222-Q226 HydrophobicContact CG-CG 4.44Å; Y222-Q226 WeakPolarHBondContact O-CG 3.33Å; Y222-Q226 PolarHBondContact O-N 3.16Å
223G97Very high96.9Very high8 Ų826.4 Ų26.48%0.08213%0.13CC..Hα-helixtrans-55.6-34.3172.100000112.7G220 M221 Q226 G227G220-G223 PolarHBondContact O-N 2.93Å; M221-G223 PolarHBondContact O-N 3.26Å; M221-G223 VanDerWaalsContact O-N 3.16Å; G223-Q226 PolarHBondContact O-N 3.42Å; G223-G227 PolarHBondContact O-N 3.01Å
224M97.4Very high97.3Very high0 Ų030 Ų300%015%0.149CC..Hα-helixtrans-67.6-44172.9179.960.6178.400112.2M39 Y62 F66 I77 I217 M221 Y222 Q226 G227 L228 L484M39-M224 HydrophobicContact CE-CB 4.25Å; M39-M224 HydrophobicContact CE-CG 4.36Å; M39-M224 HydrophobicContact SD-CB 3.69Å; M39-M224 HydrophobicContact SD-CG 4.08Å; Y62-M224 HydrophobicContact CD1-CE 3.97Å; Y62-M224 HydrophobicContact CD1-CG 3.94Å; Y62-M224 HydrophobicContact CD1-SD 3.89Å; Y62-M224 HydrophobicContact CE1-CG 4.34Å; Y62-M224 HydrophobicContact CG-CE 4.41Å; F66-M224 HydrophobicContact CE2-CE 3.91Å; F66-M224 HydrophobicContact CE2-SD 3.99Å; F66-M224 HydrophobicContact CZ-CE 4.35Å; F66-M224 HydrophobicContact CZ-SD 4.17Å; I77-M224 HydrophobicContact CD1-SD 3.99Å; I77-M224 HydrophobicContact CG2-SD 4.06Å; I217-M224 HydrophobicContact CD1-CB 3.83Å; M221-M224 WeakPolarHBondContact O-CB 3.34Å; M221-M224 PolarHBondContact O-N 3.49Å; Y222-M224 PolarHBondContact O-N 2.97Å; M224-Q226 VanDerWaalsContact C-N 3.3Å; M224-Q226 PolarHBondContact O-N 3.17Å; M224-G227 PolarHBondContact O-N 2.85Å; M224-L228 HydrophobicContact CE-CD1 3.92Å; M224-L228 HydrophobicContact CE-CD2 3.91Å; M224-L228 HydrophobicContact CE-CG 3.86Å; M224-L228 HydrophobicContact CG-CD1 4.45Å; M224-L228 WeakPolarHBondContact O-CG 3.43Å; M224-L228 PolarHBondContact O-N 2.96Å; M224-L228 HydrophobicContact SD-CG 4.32Å; M224-L484 HydrophobicContact CE-CD1 4.18Å
225A97.6Very high97.6Very high0 Ų032 Ų320%016%0.16CC..Hα-helixtrans-61.3-40.9176.700000111.3M39 Y222 L228 A229M39-A225 HydrophobicContact CG-CB 4.27Å; M39-A225 HydrophobicContact SD-CB 4.06Å; Y222-A225 HydrophobicContact CD2-CB 3.92Å; Y222-A225 HydrophobicContact CE2-CB 4.18Å; Y222-A225 WeakPolarHBondContact O-CB 3.39Å; Y222-A225 PolarHBondContact O-N 3.47Å; A225-L228 PolarHBondContact O-N 3.18Å; A225-A229 WeakPolarHBondContact O-CB 3.08Å; A225-A229 PolarHBondContact O-N 2.8Å
226Q97.6Very high97.7Very high99 Ų9934.3 Ų34.346%0.46319%0.189SC..Hα-helixtrans-64.9-45.1175.1-67.5-177-57.700112.2Y222 G223 M224 L228 A229 Q230Y222-Q226 HydrophobicContact CD1-CG 3.75Å; Y222-Q226 HydrophobicContact CE1-CG 3.61Å; Y222-Q226 HydrophobicContact CG-CG 4.44Å; Y222-Q226 WeakPolarHBondContact O-CG 3.33Å; Y222-Q226 PolarHBondContact O-N 3.16Å; G223-Q226 PolarHBondContact O-N 3.42Å; M224-Q226 VanDerWaalsContact C-N 3.3Å; M224-Q226 PolarHBondContact O-N 3.17Å; Q226-L228 VanDerWaalsContact C-N 3.34Å; Q226-L228 PolarHBondContact O-N 3.34Å; Q226-A229 WeakPolarHBondContact O-CB 3.22Å; Q226-A229 PolarHBondContact O-N 3.2Å; Q226-Q230 PolarHBondContact O-N 2.95Å
227G98.4Very high97.8Very high3 Ų334.4 Ų34.43%0.03119%0.19CC..Hα-helixtrans-58.9-44175.500000112.3Y76 G223 M224 Q230 L231Y76-G227 WeakPolarHBondContact CD1-O 3.36Å; Y76-G227 WeakPolarHBondContact O-CA 2.98Å; G223-G227 PolarHBondContact O-N 3.01Å; M224-G227 PolarHBondContact O-N 2.85Å; G227-Q230 PolarHBondContact O-N 3.15Å; G227-L231 WeakPolarHBondContact O-CB 3.28Å; G227-L231 PolarHBondContact O-N 2.83Å
228L98.6Very high97.8Very high0 Ų037.9 Ų37.90%021%0.209CC..Hα-helixtrans-66.9-36.4175-70.1178.6000113V10 L13 A14 V65 F66 M224 A225 Q226 L231 N232V10-L228 HydrophobicContact CB-CD1 4.18Å; V10-L228 HydrophobicContact CG1-CD1 4.2Å; L13-L228 HydrophobicContact CB-CB 3.81Å; L13-L228 HydrophobicContact CB-CD1 4.01Å; L13-L228 HydrophobicContact CD1-CB 4.09Å; A14-L228 HydrophobicContact CB-CD1 4.39Å; V65-L228 HydrophobicContact CB-CD2 4.18Å; V65-L228 HydrophobicContact CG1-CD2 3.56Å; F66-L228 HydrophobicContact CE1-CD2 4.34Å; F66-L228 HydrophobicContact CE2-CD2 4.41Å; F66-L228 HydrophobicContact CZ-CD2 3.96Å; F66-L228 HydrophobicContact CZ-CG 4.44Å; M224-L228 HydrophobicContact CE-CD1 3.92Å; M224-L228 HydrophobicContact CE-CD2 3.91Å; M224-L228 HydrophobicContact CE-CG 3.86Å; M224-L228 HydrophobicContact CG-CD1 4.45Å; M224-L228 WeakPolarHBondContact O-CG 3.43Å; M224-L228 PolarHBondContact O-N 2.96Å; M224-L228 HydrophobicContact SD-CG 4.32Å; A225-L228 PolarHBondContact O-N 3.18Å; Q226-L228 VanDerWaalsContact C-N 3.34Å; Q226-L228 PolarHBondContact O-N 3.34Å; L228-L231 HydrophobicContact CD2-CD2 4.34Å; L228-L231 PolarHBondContact O-N 3.13Å; L228-N232 PolarHBondContact O-N 3.28Å; L228-N232 PolarHBondContact O-ND2 3.03Å
229A98.5Very high97.9Very high22 Ų2234.8 Ų34.818%0.18220%0.197CC..Hα-helixtrans-64.4-42.3175.900000111.5V35 A225 Q226 N232 K233V35-A229 HydrophobicContact CG2-CB 3.91Å; A225-A229 WeakPolarHBondContact O-CB 3.08Å; A225-A229 PolarHBondContact O-N 2.8Å; Q226-A229 WeakPolarHBondContact O-CB 3.22Å; Q226-A229 PolarHBondContact O-N 3.2Å; A229-N232 PolarHBondContact O-N 2.86Å; A229-K233 PolarHBondContact O-N 3.1Å
230Q98.5Very high98Very high81 Ų8136 Ų3638%0.37920%0.198SC..Hα-helixtrans-65.3-41.2174.8-174.458.452.900111.5Y76 Q226 G227 N232 K233 D234Y76-Q230 HydrophobicContact CD1-CB 4.06Å; Y76-Q230 HydrophobicContact CD1-CG 4.09Å; Y76-Q230 HydrophobicContact CE1-CB 4.31Å; Y76-Q230 HydrophobicContact CE1-CG 4.02Å; Q226-Q230 PolarHBondContact O-N 2.95Å; G227-Q230 PolarHBondContact O-N 3.15Å; Q230-N232 VanDerWaalsContact C-N 3.33Å; Q230-N232 PolarHBondContact O-N 3.35Å; Q230-K233 WeakPolarHBondContact O-CB 3.4Å; Q230-K233 PolarHBondContact O-N 3.14Å; Q230-D234 PolarHBondContact NE2-OD1 2.67Å; Q230-D234 VanDerWaalsContact O-CG 3.3Å; Q230-D234 PolarHBondContact O-N 3.49Å
231L98.7Very high98.1Very high0 Ų039.3 Ų39.30%022%0.215CC..Hα-helixtrans-56.9-45.9173.1174.863.9000111.9A17 V65 F66 C69 K71 Y76 G227 L228 K233 D234 L235A17-L231 HydrophobicContact CB-CD2 3.67Å; A17-L231 HydrophobicContact CB-CG 3.95Å; V65-L231 HydrophobicContact CG1-CD2 4.37Å; F66-L231 HydrophobicContact CD1-CB 4.37Å; F66-L231 HydrophobicContact CD1-CD1 4.46Å; F66-L231 HydrophobicContact CD1-CD2 3.75Å; F66-L231 HydrophobicContact CD1-CG 4.42Å; F66-L231 HydrophobicContact CE1-CB 4.16Å; F66-L231 HydrophobicContact CE1-CD2 4.03Å; F66-L231 HydrophobicContact CG-CD2 4.46Å; C69-L231 HydrophobicContact CB-CD1 4.23Å; K71-L231 HydrophobicContact CB-CD1 4.21Å; K71-L231 HydrophobicContact CG-CD1 3.65Å; Y76-L231 HydrophobicContact CD1-CB 4.03Å; Y76-L231 VanDerWaalsContact CE1-CA 3.46Å; Y76-L231 HydrophobicContact CE1-CB 3.88Å; Y76-L231 HydrophobicContact CE1-CD1 4.35Å; Y76-L231 HydrophobicContact CE2-CD1 4.38Å; G227-L231 WeakPolarHBondContact O-CB 3.28Å; G227-L231 PolarHBondContact O-N 2.83Å; L228-L231 HydrophobicContact CD2-CD2 4.34Å; L228-L231 PolarHBondContact O-N 3.13Å; L231-K233 PolarHBondContact O-N 2.93Å; L231-D234 PolarHBondContact O-N 3.31Å; L231-L235 HydrophobicContact CD1-CD1 3.91Å; L231-L235 HydrophobicContact CD1-CG 4.34Å; L231-L235 HydrophobicContact CG-CD1 4.02Å; L231-L235 WeakPolarHBondContact O-CG 3.32Å; L231-L235 PolarHBondContact O-N 3.3Å; L231-L235 VanDerWaalsContact O-N 3.09Å
232N98.8Very high98.1Very high0 Ų043.9 Ų43.90%024%0.239CC..Hα-helixtrans-61.7-43.5177.2-86.1-83.1000111.9L13 A16 A17 L228 A229 Q230 D234 L235 G236 V237 I239L13-N232 PolarHBondContact O-ND2 3.01Å; A16-N232 WeakPolarHBondContact CB-OD1 3.39Å; A17-N232 PolarHBondContact N-OD1 3.4Å; A17-N232 VanDerWaalsContact N-OD1 3.13Å; L228-N232 PolarHBondContact O-N 3.28Å; L228-N232 PolarHBondContact O-ND2 3.03Å; A229-N232 PolarHBondContact O-N 2.86Å; Q230-N232 VanDerWaalsContact C-N 3.33Å; Q230-N232 PolarHBondContact O-N 3.35Å; N232-D234 VanDerWaalsContact C-N 3.34Å; N232-D234 PolarHBondContact O-N 2.99Å; N232-L235 CarbonylContact O-C 3.51Å; N232-L235 PolarHBondContact O-N 2.73Å; N232-G236 PolarHBondContact O-N 2.86Å; N232-V237 HydrophobicContact CB-CB 3.94Å; N232-V237 HydrophobicContact CB-CG1 4.33Å; N232-V237 HydrophobicContact CB-CG2 4.27Å; N232-V237 WeakPolarHBondContact O-CB 3.11Å; N232-V237 PolarHBondContact O-N 2.76Å; N232-V237 WeakPolarHBondContact OD1-CG2 3.41Å; N232-I239 HydrophobicContact CB-CD1 4.11Å
233K98.4Very high98.1Very high147 Ų14742.6 Ų42.664%0.63924%0.235SC*.Hα-helixtrans-59.7-43.7175.6-176.9179.7175.7-176.20111.9A229 Q230 L231 L235 G236A229-K233 PolarHBondContact O-N 3.1Å; Q230-K233 WeakPolarHBondContact O-CB 3.4Å; Q230-K233 PolarHBondContact O-N 3.14Å; L231-K233 PolarHBondContact O-N 2.93Å; K233-L235 PolarHBondContact O-N 3.1Å; K233-G236 PolarHBondContact O-N 2.98Å; K233-G236 VanDerWaalsContact O-N 3.09Å
234D98.3Very high98Very high76 Ų7647.1 Ų47.141%0.40625%0.254SS..Hα-helixtrans-66.7-27.2178.9-68.1-9000113Y76 Q230 L231 N232 G236Y76-D234 VanDerWaalsContact CE1-OD2 3.24Å; Y76-D234 WeakPolarHBondContact CE1-OD2 3.3Å; Y76-D234 VanDerWaalsContact CZ-OD2 3.32Å; Y76-D234 PolarHBondContact OH-OD2 2.7Å; Q230-D234 PolarHBondContact NE2-OD1 2.67Å; Q230-D234 VanDerWaalsContact O-CG 3.3Å; Q230-D234 PolarHBondContact O-N 3.49Å; L231-D234 PolarHBondContact O-N 3.31Å; N232-D234 VanDerWaalsContact C-N 3.34Å; N232-D234 PolarHBondContact O-N 2.99Å; D234-G236 VanDerWaalsContact C-N 3.31Å
235L98.4Very high97.9Very high45 Ų4547.7 Ų47.724%0.23626%0.257CS..THydrogen-bonded Turntrans-87.42.4175.3-67.1170000113A17 A20 C69 L231 N232 K233 V237A17-L235 HydrophobicContact CB-CD1 3.9Å; A17-L235 WeakPolarHBondContact O-CD1 3.19Å; A20-L235 HydrophobicContact CB-CB 4.01Å; C69-L235 HydrophobicContact CB-CD1 4.19Å; L231-L235 HydrophobicContact CD1-CD1 3.91Å; L231-L235 HydrophobicContact CD1-CG 4.34Å; L231-L235 HydrophobicContact CG-CD1 4.02Å; L231-L235 WeakPolarHBondContact O-CG 3.32Å; L231-L235 PolarHBondContact O-N 3.3Å; L231-L235 VanDerWaalsContact O-N 3.09Å; N232-L235 CarbonylContact O-C 3.51Å; N232-L235 PolarHBondContact O-N 2.73Å; K233-L235 PolarHBondContact O-N 3.1Å; L235-V237 HydrophobicContact CB-CG2 4.43Å
236G98.4Very high97.9Very high67 Ų6751.6 Ų51.669%0.69128%0.275SS*.THydrogen-bonded Turntrans76.419.417800000114.6N232 K233 D234N232-G236 PolarHBondContact O-N 2.86Å; K233-G236 PolarHBondContact O-N 2.98Å; K233-G236 VanDerWaalsContact O-N 3.09Å; D234-G236 VanDerWaalsContact C-N 3.31Å
237V98.8Very high97.8Very high13 Ų1350.2 Ų50.28%0.07927%0.268CS..  trans-72.1132.5175.71780000110.1A16 A20 V26 I28 N232 L235 I239A16-V237 HydrophobicContact CB-CG1 4.3Å; A20-V237 HydrophobicContact CB-CG2 3.39Å; V26-V237 HydrophobicContact CB-CG1 4.09Å; V26-V237 HydrophobicContact CB-CG2 4.16Å; V26-V237 HydrophobicContact CG1-CG1 4.09Å; I28-V237 HydrophobicContact CD1-CG1 3.93Å; I28-V237 HydrophobicContact CG1-CG1 3.75Å; N232-V237 HydrophobicContact CB-CB 3.94Å; N232-V237 HydrophobicContact CB-CG1 4.33Å; N232-V237 HydrophobicContact CB-CG2 4.27Å; N232-V237 WeakPolarHBondContact O-CB 3.11Å; N232-V237 PolarHBondContact O-N 2.76Å; N232-V237 WeakPolarHBondContact OD1-CG2 3.41Å; L235-V237 HydrophobicContact CB-CG2 4.43Å; V237-I239 HydrophobicContact CG1-CG1 4.41Å
238N98.5Very high97.8Very high75 Ų7550 Ų5040%0.40127%0.267SS..EExtended strand (participates in β ladder)trans-83.2128.1172.4-176.433.4000109.9V26 T27 I28 E240V26-N238 PolarHBondContact O-N 3.02Å; V26-N238 VanDerWaalsContact O-N 3.1Å; T27-N238 CarbonylContact C-O 3.59Å; T27-N238 VanDerWaalsContact CA-O 3.3Å; T27-N238 WeakPolarHBondContact CA-O 3.41Å; T27-N238 HydrophobicContact CG2-CB 4.2Å; I28-N238 PolarHBondContact N-O 3.34Å; N238-E240 PolarHBondContact ND2-OE1 2.82Å; N238-E240 VanDerWaalsContact ND2-OE1 3.09Å
239I98.5Very high97.8Very high46 Ų4652 Ų5224%0.23628%0.277CS..EExtended strand (participates in β ladder)trans-116.6111.3176.9-53.6-177.7000108.2L13 I28 V35 N232 V237 L241L13-I239 HydrophobicContact CD2-CD1 4.23Å; I28-I239 HydrophobicContact CB-CG1 4.39Å; I28-I239 HydrophobicContact CB-CG2 4.41Å; I28-I239 HydrophobicContact CD1-CD1 4.29Å; I28-I239 HydrophobicContact CD1-CG1 4.07Å; I28-I239 HydrophobicContact CG1-CG1 4.43Å; V35-I239 HydrophobicContact CG1-CG2 3.96Å; N232-I239 HydrophobicContact CB-CD1 4.11Å; V237-I239 HydrophobicContact CG1-CG1 4.41Å; I239-L241 HydrophobicContact CG2-CD2 4.08Å; I239-L241 HydrophobicContact CG2-CG 4.5Å
240E98.2Very high97.8Very high43 Ų4351.1 Ų51.120%0.20127%0.269CS..EExtended strand (participates in β ladder)trans-99.6109.9177-67-172.2-147.600110.1T27 I28 F29 E30 N238 A243 R267T27-E240 HydrophobicContact CG2-CG 4.21Å; I28-E240 PolarHBondContact O-N 3.34Å; F29-E240 HydrophobicContact CD1-CB 4.12Å; F29-E240 HydrophobicContact CE1-CB 4.36Å; E30-E240 PolarHBondContact N-O 2.92Å; N238-E240 PolarHBondContact ND2-OE1 2.82Å; N238-E240 VanDerWaalsContact ND2-OE1 3.09Å; E240-A243 HydrophobicContact CB-CB 4.05Å; E240-A243 WeakPolarHBondContact O-CB 3.34Å; E240-R267 IonicContact OE1-CZ 2.8Å; E240-R267 IonicContact OE1-NH1 3.92Å; E240-R267 PolarHBondContact OE1-NH1 2.91Å; E240-R267 IonicContact OE2-CZ 3.5Å; E240-R267 VanDerWaalsContact OE2-CZ 3.25Å; E240-R267 IonicContact OE2-NH1 3.25Å; E240-R267 PolarHBondContact OE2-NH1 3.15Å; E240-R267 IonicContact OE2-NH2 2.91Å; E240-R267 PolarHBondContact OE2-NH2 3.2Å
241L97.6Very high97.6Very high69 Ų6949.2 Ų49.236%0.36126%0.262SS..EExtended strand (participates in β ladder)trans-88.7160.3175.6-56.8172.8000110.1E30 N33 V35 I239 A243E30-L241 HydrophobicContact CB-CD2 3.93Å; E30-L241 HydrophobicContact CG-CD2 3.96Å; E30-L241 CarbonylContact O-C 3.54Å; E30-L241 WeakPolarHBondContact O-CA 3.4Å; N33-L241 WeakPolarHBondContact O-CD1 3.33Å; V35-L241 HydrophobicContact CG1-CD2 3.94Å; I239-L241 HydrophobicContact CG2-CD2 4.08Å; I239-L241 HydrophobicContact CG2-CG 4.5Å; L241-A243 PolarHBondContact O-N 2.79Å
242N96.5Very high97.4Very high99 Ų9953.7 Ų53.753%0.52929%0.29SS..SBendtrans53.638.2-172.8-44.8-75.8000112.1E30 K31 N32 N33 N263E30-N242 PolarHBondContact O-N 3.49Å; K31-N242 WeakPolarHBondContact O-CA 3.03Å; N32-N242 PolarHBondContact O-N 3.26Å; N33-N242 WeakPolarHBondContact CB-OD1 3.28Å; N242-N263 PolarHBondContact O-ND2 3.5Å; N242-N263 PolarHBondContact O-OD1 2.91Å
243A96.8Very high97.1Very high2 Ų261.7 Ų61.72%0.01733%0.325CS..  trans-121.475-176.700000109.1F29 E30 E240 L241 I245 V262F29-A243 HydrophobicContact CB-CB 4.35Å; F29-A243 HydrophobicContact CD1-CB 3.93Å; E30-A243 PolarHBondContact O-N 3.25Å; E240-A243 HydrophobicContact CB-CB 4.05Å; E240-A243 WeakPolarHBondContact O-CB 3.34Å; L241-A243 PolarHBondContact O-N 2.79Å; A243-I245 PolarHBondContact O-N 2.59Å; A243-V262 HydrophobicContact CB-CG2 3.79Å
244E94.5Very high96.9Very high103 Ų10360.1 Ų60.148%0.48132%0.319SS..  trans-73.2124.1177.9-171.4169.5-172.800110K31 E246 H436K31-E244 HydrophobicContact CB-CB 3.88Å; K31-E244 HydrophobicContact CB-CG 4.03Å; E244-E246 PolarHBondContact O-N 2.79Å; E244-H436 IonicContact OE1-NE2 3.79Å
245I97Very high96.7Very high12 Ų1262 Ų626%0.06232%0.323CS..EExtended strand (participates in β ladder)trans-76.3121.9175.2-57.3-51.8000108.3I6 F29 A243 I260 V262 L285I6-I245 HydrophobicContact CB-CG1 4.28Å; I6-I245 HydrophobicContact CD1-CG1 4.2Å; I6-I245 HydrophobicContact CD1-CG2 4.2Å; I6-I245 HydrophobicContact CG1-CG1 3.97Å; I6-I245 HydrophobicContact CG2-CB 4.16Å; I6-I245 HydrophobicContact CG2-CG1 3.52Å; F29-I245 HydrophobicContact CB-CD1 3.73Å; F29-I245 HydrophobicContact CB-CG1 4.26Å; F29-I245 HydrophobicContact CD1-CD1 4.36Å; F29-I245 HydrophobicContact CD2-CD1 4.45Å; F29-I245 HydrophobicContact CG-CD1 3.93Å; A243-I245 PolarHBondContact O-N 2.59Å; I245-I260 HydrophobicContact CD1-CB 4.36Å; I245-I260 HydrophobicContact CD1-CD1 3.76Å; I245-V262 HydrophobicContact CD1-CB 3.69Å; I245-V262 HydrophobicContact CD1-CG2 3.78Å; I245-L285 HydrophobicContact CG2-CD1 4.44Å; I245-L285 WeakPolarHBondContact O-CD2 3.36Å
246E96.2Very high96.6Very high82 Ų8263.3 Ų63.338%0.38333%0.325SS..EExtended strand (participates in β ladder)trans-85.9-34.1176.4-63.8170.9-137.300111.3E244 K261 G264E244-E246 PolarHBondContact O-N 2.79Å; E246-K261 HydrophobicContact CB-CB 4.39Å; E246-K261 HydrophobicContact CB-CD 4.16Å; E246-K261 HydrophobicContact CB-CG 4.32Å; E246-K261 PolarHBondContact N-O 2.91Å; E246-K261 WeakPolarHBondContact OE2-CD 3.45Å; E246-K261 WeakPolarHBondContact OE2-CE 3.29Å; E246-K261 IonicContact OE2-NZ 3.28Å; E246-K261 PolarHBondContact OE2-NZ 3.15Å; E246-G264 PolarHBondContact OE1-N 3.04Å
247Q97.3Very high96.6Very high69 Ų6960.2 Ų60.232%0.32229%0.293SS..EExtended strand (participates in β ladder)trans-161.3143.2-175.9-169.6170.654.800112.7I260 K261 L285Q247-I260 WeakPolarHBondContact O-CA 3.36Å; Q247-K261 HydrophobicContact CB-CB 4.11Å; Q247-K261 PolarHBondContact O-N 3.33Å; Q247-L285 CarbonylContact C-O 3.33Å; Q247-L285 WeakPolarHBondContact CA-O 3.49Å
248I98.1Very high96.4Very high0 Ų062 Ų620%030%0.302CS..EExtended strand (participates in β ladder)trans-88.8121.1163.1-60.4175.6000108I6 I250 A257 I272 C274 V281 L285 M286 P287 L467I6-I248 HydrophobicContact CD1-CD1 3.99Å; I6-I248 HydrophobicContact CD1-CG1 3.9Å; I248-I250 HydrophobicContact CG2-CD1 3.99Å; I248-A257 HydrophobicContact CG2-CB 4.38Å; I248-I272 HydrophobicContact CG2-CD1 4.08Å; I248-C274 HydrophobicContact CD1-CB 4.41Å; I248-V281 HydrophobicContact CD1-CG1 4.29Å; I248-L285 HydrophobicContact CG1-CB 4.47Å; I248-L285 PolarHBondContact N-O 3.04Å; I248-M286 HydrophobicContact CB-SD 4.36Å; I248-M286 HydrophobicContact CD1-SD 4.22Å; I248-P287 WeakPolarHBondContact O-CD 3.21Å; I248-L467 HydrophobicContact CD1-CD1 4.02Å; I248-L467 HydrophobicContact CG2-CD1 4.29Å
249I97.6Very high96.4Very high41 Ų4158.5 Ų58.521%0.2128%0.284CS..EExtended strand (participates in β ladder)trans-88.5117.9-177.4-57.6-176.9000109.4D258 A259 I266I249-D258 PolarHBondContact O-N 3.07Å; I249-A259 HydrophobicContact CB-CB 3.99Å; I249-A259 WeakPolarHBondContact CB-O 3.4Å; I249-A259 HydrophobicContact CD1-CB 4.01Å; I249-A259 HydrophobicContact CG1-CB 4.36Å; I249-A259 PolarHBondContact N-O 3.01Å; I249-I266 HydrophobicContact CD1-CB 4.29Å; I249-I266 HydrophobicContact CD1-CD1 3.85Å; I249-I266 HydrophobicContact CD1-CG1 3.85Å; I249-I266 HydrophobicContact CD1-CG2 3.55Å
250I98Very high96.4Very high4 Ų456.3 Ų56.32%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-99.6126.8176.9-56.8-56000109.8I248 P252 R256 A257 M286 P287 A290 Y464 L467I248-I250 HydrophobicContact CG2-CD1 3.99Å; I250-P252 VanDerWaalsContact O-CD 3.26Å; I250-P252 WeakPolarHBondContact O-CD 3.41Å; I250-R256 CarbonylContact C-O 3.59Å; I250-R256 WeakPolarHBondContact CA-O 3.47Å; I250-A257 HydrophobicContact CD1-CB 4.23Å; I250-M286 HydrophobicContact CD1-CE 4.02Å; I250-M286 HydrophobicContact CG1-CE 3.9Å; I250-P287 HydrophobicContact CB-CG 4.35Å; I250-P287 HydrophobicContact CG1-CG 4.15Å; I250-A290 HydrophobicContact CB-CB 4.03Å; I250-A290 HydrophobicContact CG1-CB 4.18Å; I250-A290 HydrophobicContact CG2-CB 3.98Å; I250-Y464 HydrophobicContact CD1-CD1 4.23Å; I250-Y464 HydrophobicContact CD1-CD2 4.22Å; I250-Y464 HydrophobicContact CD1-CG 3.92Å; I250-Y464 HydrophobicContact CG1-CD1 4.35Å; I250-Y464 HydrophobicContact CG1-CG 4.42Å; I250-Y464 HydrophobicContact CG2-CD1 3.51Å; I250-Y464 HydrophobicContact CG2-CE1 3.7Å; I250-Y464 HydrophobicContact CG2-CG 4.3Å; I250-L467 HydrophobicContact CD1-CD2 4.44Å
251D95.8Very high96.4Very high41 Ų4157.5 Ų57.522%0.21928%0.277CS..EExtended strand (participates in β ladder)trans-70.3114.3166.5-176.5-48.4000109.1K253 F254 K255 R256 D258D251-K253 VanDerWaalsContact C-N 3.3Å; D251-K253 PolarHBondContact O-N 2.83Å; D251-K253 WeakPolarHBondContact OD1-CA 3.37Å; D251-K253 VanDerWaalsContact OD1-CB 3.26Å; D251-K253 WeakPolarHBondContact OD1-CB 3.11Å; D251-K253 PolarHBondContact OD1-N 2.96Å; D251-F254 PolarHBondContact OD1-N 2.8Å; D251-F254 VanDerWaalsContact OD2-CD2 3.31Å; D251-F254 WeakPolarHBondContact OD2-CD2 3.47Å; D251-K255 VanDerWaalsContact O-CA 3.23Å; D251-K255 WeakPolarHBondContact O-CA 3.47Å; D251-K255 PolarHBondContact O-N 3.13Å; D251-R256 HydrophobicContact CB-CG 4.06Å; D251-R256 PolarHBondContact N-O 2.91Å; D251-D258 HydrophobicContact CB-CB 4.49Å
252P92.8Very high96.4Very high93 Ų9354.2 Ų54.260%0.60426%0.26SS*.THydrogen-bonded Turntrans-69.1-26.5-17727.4-34.3000113.3I250 F289I250-P252 VanDerWaalsContact O-CD 3.26Å; I250-P252 WeakPolarHBondContact O-CD 3.41Å; P252-F289 HydrophobicContact CB-CD2 4.47Å; P252-F289 HydrophobicContact CB-CE2 4.01Å; P252-F289 HydrophobicContact CG-CE2 4.5Å
253K93.4Very high96.2Very high169 Ų16953.9 Ų53.974%0.73526%0.258SS*.THydrogen-bonded Turntrans-75.9-44.5-178.8-179.5-179.2177.9-179.60111.1D251D251-K253 VanDerWaalsContact C-N 3.3Å; D251-K253 PolarHBondContact O-N 2.83Å; D251-K253 WeakPolarHBondContact OD1-CA 3.37Å; D251-K253 VanDerWaalsContact OD1-CB 3.26Å; D251-K253 WeakPolarHBondContact OD1-CB 3.11Å; D251-K253 PolarHBondContact OD1-N 2.96Å
254F93.5Very high96.1Very high114 Ų11456 Ų5650%0.528%0.28SS..THydrogen-bonded Turntrans-98.8-7.8-176.9-60.9-64.8000114D251 R256D251-F254 PolarHBondContact OD1-N 2.8Å; D251-F254 VanDerWaalsContact OD2-CD2 3.31Å; D251-F254 WeakPolarHBondContact OD2-CD2 3.47Å; F254-R256 HydrophobicContact CB-CG 3.95Å
255K95.2Very high96.2Very high116 Ų11655.9 Ų55.950%0.50428%0.283SS..THydrogen-bonded Turntrans51.457.6-176.1-63.7179.9176.2169.50111.2D251 Y464 K465D251-K255 VanDerWaalsContact O-CA 3.23Å; D251-K255 WeakPolarHBondContact O-CA 3.47Å; D251-K255 PolarHBondContact O-N 3.13Å; K255-Y464 HydrophobicContact CB-CD1 4.41Å; K255-Y464 CarbonylContact O-C 3.55Å; K255-Y464 VanDerWaalsContact O-CA 3.31Å; K255-Y464 WeakPolarHBondContact O-CA 3.36Å; K255-K465 PolarHBondContact O-N 2.99Å
256R96.3Very high96.2Very high72 Ų7260.8 Ų60.827%0.27231%0.308SS..EExtended strand (participates in β ladder)trans-139.4150.718063.5175.926.9169.1-9.8112.2I250 D251 F254 D258 K465 D466 V502I250-R256 CarbonylContact C-O 3.59Å; I250-R256 WeakPolarHBondContact CA-O 3.47Å; D251-R256 HydrophobicContact CB-CG 4.06Å; D251-R256 PolarHBondContact N-O 2.91Å; F254-R256 HydrophobicContact CB-CG 3.95Å; R256-D258 PolarHBondContact O-N 3.39Å; R256-K465 VanDerWaalsContact CA-O 3.24Å; R256-K465 WeakPolarHBondContact CA-O 3.45Å; R256-K465 HydrophobicContact CB-CB 3.93Å; R256-D466 IonicContact CZ-OD2 3.23Å; R256-D466 VanDerWaalsContact CZ-OD2 3.23Å; R256-D466 IonicContact NE-OD2 2.9Å; R256-D466 PolarHBondContact NE-OD2 3.49Å; R256-D466 IonicContact NH2-OD2 3.01Å; R256-D466 PolarHBondContact NH2-OD2 3.44Å; R256-V502 PolarHBondContact NH2-OXT 3.37Å
257A97.6Very high96.3Very high2 Ų260.2 Ų60.22%0.01730%0.302CS..EExtended strand (participates in β ladder)trans-67.5121165.700000109.6I248 I250 I272 K465 L467I248-A257 HydrophobicContact CG2-CB 4.38Å; I250-A257 HydrophobicContact CD1-CB 4.23Å; A257-I272 HydrophobicContact CB-CB 4.28Å; A257-I272 HydrophobicContact CB-CD1 3.81Å; A257-I272 HydrophobicContact CB-CG1 4.1Å; A257-K465 PolarHBondContact N-O 3.07Å; A257-L467 HydrophobicContact CB-CB 3.88Å; A257-L467 HydrophobicContact CB-CD1 4.45Å
258D95.7Very high96.4Very high50 Ų5063.9 Ų63.927%0.26732%0.317SS..EExtended strand (participates in β ladder)trans-115.3-27-178-174.860.4000112.6I249 D251 R256 K268 F269I249-D258 PolarHBondContact O-N 3.07Å; D251-D258 HydrophobicContact CB-CB 4.49Å; R256-D258 PolarHBondContact O-N 3.39Å; D258-K268 WeakPolarHBondContact O-CA 3.3Å; D258-K268 IonicContact OD1-NZ 3.83Å; D258-K268 IonicContact OD2-NZ 2.73Å; D258-K268 PolarHBondContact OD2-NZ 2.65Å; D258-F269 PolarHBondContact O-N 2.86Å; D258-F269 VanDerWaalsContact O-N 3.11Å
259A97.8Very high96.4Very high2 Ų264.9 Ų64.92%0.01732%0.322CS..EExtended strand (participates in β ladder)trans-158.7169.9-176.400000112.2I249 I266 R267 K268 I272I249-A259 HydrophobicContact CB-CB 3.99Å; I249-A259 WeakPolarHBondContact CB-O 3.4Å; I249-A259 HydrophobicContact CD1-CB 4.01Å; I249-A259 HydrophobicContact CG1-CB 4.36Å; I249-A259 PolarHBondContact N-O 3.01Å; A259-I266 HydrophobicContact CB-CG2 3.89Å; A259-R267 CarbonylContact C-O 3.56Å; A259-R267 WeakPolarHBondContact CA-O 3.23Å; A259-R267 WeakPolarHBondContact CB-O 3.35Å; A259-K268 HydrophobicContact CB-CG 4.26Å; A259-I272 WeakPolarHBondContact O-CD1 3.34Å
260I98.2Very high96.4Very high0 Ų066.9 Ų66.90%033%0.333CS..EExtended strand (participates in β ladder)trans-118151.4165.756177.6000109.5A4 I6 F29 I245 Q247 V262 I266 R267 F269 I272A4-I260 HydrophobicContact CB-CD1 4.34Å; I6-I260 HydrophobicContact CD1-CG2 4.02Å; F29-I260 HydrophobicContact CD1-CD1 4.28Å; F29-I260 HydrophobicContact CD2-CD1 3.52Å; F29-I260 HydrophobicContact CE1-CD1 4.06Å; F29-I260 HydrophobicContact CE2-CD1 3.26Å; F29-I260 HydrophobicContact CG-CD1 4.03Å; F29-I260 HydrophobicContact CZ-CD1 3.56Å; I245-I260 HydrophobicContact CD1-CB 4.36Å; I245-I260 HydrophobicContact CD1-CD1 3.76Å; Q247-I260 WeakPolarHBondContact O-CA 3.36Å; I260-V262 HydrophobicContact CD1-CG1 4.23Å; I260-V262 HydrophobicContact CG1-CG1 4.42Å; I260-I266 WeakPolarHBondContact O-CA 3.39Å; I260-R267 HydrophobicContact CG1-CB 4.25Å; I260-R267 PolarHBondContact N-O 3.5Å; I260-R267 PolarHBondContact O-N 3.08Å; I260-F269 HydrophobicContact CD1-CD2 4.24Å; I260-F269 HydrophobicContact CD1-CE2 3.66Å; I260-F269 HydrophobicContact CD1-CZ 4.48Å; I260-F269 HydrophobicContact CG1-CD2 4.07Å; I260-F269 HydrophobicContact CG1-CE2 3.79Å; I260-I272 HydrophobicContact CG2-CD1 3.7Å; I260-I272 HydrophobicContact CG2-CG1 4.48Å; I260-I272 HydrophobicContact CG2-CG2 4.37Å
261K98.2Very high96.4Very high68 Ų6866.9 Ų66.930%0.29633%0.332SS..EExtended strand (participates in β ladder)trans-102121.9164.3-168.5-173.3-177.9-149.70108.7E246 Q247 D265 I266E246-K261 HydrophobicContact CB-CB 4.39Å; E246-K261 HydrophobicContact CB-CD 4.16Å; E246-K261 HydrophobicContact CB-CG 4.32Å; E246-K261 PolarHBondContact N-O 2.91Å; E246-K261 WeakPolarHBondContact OE2-CD 3.45Å; E246-K261 WeakPolarHBondContact OE2-CE 3.29Å; E246-K261 IonicContact OE2-NZ 3.28Å; E246-K261 PolarHBondContact OE2-NZ 3.15Å; Q247-K261 HydrophobicContact CB-CB 4.11Å; Q247-K261 PolarHBondContact O-N 3.33Å; K261-D265 CarbonylContact C-O 3.48Å; K261-D265 WeakPolarHBondContact CA-O 3.41Å; K261-I266 HydrophobicContact CG-CG1 4.38Å
262V97.4Very high96.5Very high0 Ų064.9 Ų64.90%032%0.322CS..EExtended strand (participates in β ladder)trans-144128.2-175.659.20000109.6F29 A243 I245 I260 G264 D265 R267F29-V262 HydrophobicContact CD1-CG1 4.43Å; F29-V262 HydrophobicContact CD1-CG2 4.09Å; F29-V262 HydrophobicContact CE1-CG1 4.16Å; A243-V262 HydrophobicContact CB-CG2 3.79Å; I245-V262 HydrophobicContact CD1-CB 3.69Å; I245-V262 HydrophobicContact CD1-CG2 3.78Å; I260-V262 HydrophobicContact CD1-CG1 4.23Å; I260-V262 HydrophobicContact CG1-CG1 4.42Å; V262-G264 PolarHBondContact O-N 2.9Å; V262-D265 PolarHBondContact N-O 2.91Å; V262-D265 PolarHBondContact O-N 3.18Å; V262-R267 HydrophobicContact CG1-CG 4.24Å
263N93.7Very high96.8Very high92 Ų9260.5 Ų60.549%0.49229%0.293SS..THydrogen-bonded Turntrans50.140.5-178.6-62.5-15.6000113.2N242 D265N242-N263 PolarHBondContact O-ND2 3.5Å; N242-N263 PolarHBondContact O-OD1 2.91Å; N263-D265 PolarHBondContact O-N 3.03Å
264G93.7Very high97Very high47 Ų4752.5 Ų52.549%0.48526%0.258SS..THydrogen-bonded Turntrans79.5-15.7-176.100000116.1E246 V262E246-G264 PolarHBondContact OE1-N 3.04Å; V262-G264 PolarHBondContact O-N 2.9Å
265D96.3Very high97.2Very high99 Ų9948 Ų4853%0.52924%0.24SC..EExtended strand (participates in β ladder)trans-93.4146.5-178.2-72-32.6000112.5K261 V262 N263K261-D265 CarbonylContact C-O 3.48Å; K261-D265 WeakPolarHBondContact CA-O 3.41Å; V262-D265 PolarHBondContact N-O 2.91Å; V262-D265 PolarHBondContact O-N 3.18Å; N263-D265 PolarHBondContact O-N 3.03Å
266I97.9Very high97.1Very high115 Ų11544.2 Ų44.259%0.5923%0.231SC*.EExtended strand (participates in β ladder)trans-100.4123.5172.7-63.9176.4000109.6I249 A259 I260 K261I249-I266 HydrophobicContact CD1-CB 4.29Å; I249-I266 HydrophobicContact CD1-CD1 3.85Å; I249-I266 HydrophobicContact CD1-CG1 3.85Å; I249-I266 HydrophobicContact CD1-CG2 3.55Å; A259-I266 HydrophobicContact CB-CG2 3.89Å; I260-I266 WeakPolarHBondContact O-CA 3.39Å; K261-I266 HydrophobicContact CG-CG1 4.38Å
267R98.1Very high97Very high70 Ų7041.6 Ų41.626%0.26422%0.222SC..EExtended strand (participates in β ladder)trans-123.8124.7-179.1-56.3-171.4-167.2-177.914.2111E240 A259 I260 V262 F269E240-R267 IonicContact OE1-CZ 2.8Å; E240-R267 IonicContact OE1-NH1 3.92Å; E240-R267 PolarHBondContact OE1-NH1 2.91Å; E240-R267 IonicContact OE2-CZ 3.5Å; E240-R267 VanDerWaalsContact OE2-CZ 3.25Å; E240-R267 IonicContact OE2-NH1 3.25Å; E240-R267 PolarHBondContact OE2-NH1 3.15Å; E240-R267 IonicContact OE2-NH2 2.91Å; E240-R267 PolarHBondContact OE2-NH2 3.2Å; A259-R267 CarbonylContact C-O 3.56Å; A259-R267 WeakPolarHBondContact CA-O 3.23Å; A259-R267 WeakPolarHBondContact CB-O 3.35Å; I260-R267 HydrophobicContact CG1-CB 4.25Å; I260-R267 PolarHBondContact N-O 3.5Å; I260-R267 PolarHBondContact O-N 3.08Å; V262-R267 HydrophobicContact CG1-CG 4.24Å; R267-F269 HydrophobicContact CB-CD2 4.48Å; R267-F269 HydrophobicContact CB-CE2 3.71Å; R267-F269 HydrophobicContact CB-CZ 4.45Å; R267-F269 WeakPolarHBondContact O-CD2 3.31Å
268K98.1Very high96.9Very high146 Ų14641.7 Ų41.764%0.63522%0.222SC*.EExtended strand (participates in β ladder)trans-82.1142-179.1-69.6-175.6171.4-96.60112.1D258 A259D258-K268 WeakPolarHBondContact O-CA 3.3Å; D258-K268 IonicContact OD1-NZ 3.83Å; D258-K268 IonicContact OD2-NZ 2.73Å; D258-K268 PolarHBondContact OD2-NZ 2.65Å; A259-K268 HydrophobicContact CB-CG 4.26Å
269F98.2Very high96.8Very high22 Ų2239.3 Ų39.310%0.09621%0.21CC..  trans-141.5150.7176.6-70.1-86.1000110.2K2 A4 F29 D258 I260 R267 I272K2-F269 HydrophobicContact CB-CD1 4.03Å; A4-F269 HydrophobicContact CB-CB 4.17Å; A4-F269 HydrophobicContact CB-CD1 3.74Å; A4-F269 HydrophobicContact CB-CD2 3.66Å; A4-F269 HydrophobicContact CB-CE1 4Å; A4-F269 HydrophobicContact CB-CE2 3.92Å; A4-F269 HydrophobicContact CB-CG 3.57Å; A4-F269 HydrophobicContact CB-CZ 4.1Å; F29-F269 HydrophobicContact CE2-CE1 4.45Å; F29-F269 AromaticContact CE2-CE2 3.96Å; F29-F269 HydrophobicContact CE2-CE2 3.96Å; F29-F269 AromaticContact CE2-CZ 3.65Å; F29-F269 HydrophobicContact CE2-CZ 3.65Å; F29-F269 HydrophobicContact CZ-CE2 4.04Å; F29-F269 AromaticContact CZ-CZ 3.67Å; F29-F269 HydrophobicContact CZ-CZ 3.67Å; D258-F269 PolarHBondContact O-N 2.86Å; D258-F269 VanDerWaalsContact O-N 3.11Å; I260-F269 HydrophobicContact CD1-CD2 4.24Å; I260-F269 HydrophobicContact CD1-CE2 3.66Å; I260-F269 HydrophobicContact CD1-CZ 4.48Å; I260-F269 HydrophobicContact CG1-CD2 4.07Å; I260-F269 HydrophobicContact CG1-CE2 3.79Å; R267-F269 HydrophobicContact CB-CD2 4.48Å; R267-F269 HydrophobicContact CB-CE2 3.71Å; R267-F269 HydrophobicContact CB-CZ 4.45Å; R267-F269 WeakPolarHBondContact O-CD2 3.31Å; F269-I272 HydrophobicContact CB-CG1 4.39Å
270D97.6Very high96.5Very high83 Ų8340.2 Ų40.244%0.44422%0.216SC..SBendtrans-72.1-35.2177.7-62.5-50.3000111.2M1 K2M1-D270 VanDerWaalsContact C-OD2 3.32Å; M1-D270 WeakPolarHBondContact CA-OD2 3.48Å; M1-D270 HydrophobicContact CB-CB 4.03Å; M1-D270 VanDerWaalsContact CB-OD2 3.29Å; M1-D270 WeakPolarHBondContact CB-OD2 3.42Å; M1-D270 HydrophobicContact CG-CB 4.25Å; M1-D270 HydrophobicContact SD-CB 4.48Å; K2-D270 PolarHBondContact N-OD2 3.08Å; K2-D270 WeakPolarHBondContact O-CB 3.49Å; K2-D270 PolarHBondContact O-N 3.29Å
271K98.2Very high96.3Very high3 Ų340.3 Ų40.31%0.01322%0.216CC..EExtended strand (participates in β ladder)trans-146151.1177.4-61.3-175.8179.9-67.50110.8I3 A4 D466 Y468 M494 I498 V502I3-K271 WeakPolarHBondContact CA-O 3.49Å; I3-K271 HydrophobicContact CG1-CB 4.34Å; A4-K271 PolarHBondContact N-O 3.29Å; K271-D466 WeakPolarHBondContact CA-O 3.22Å; K271-D466 HydrophobicContact CG-CB 4.18Å; K271-D466 IonicContact NZ-OD1 3.15Å; K271-D466 PolarHBondContact NZ-OD1 3.04Å; K271-Y468 HydrophobicContact CB-CE2 4.24Å; K271-Y468 HydrophobicContact CD-CE2 3.96Å; K271-Y468 HydrophobicContact CG-CE2 4.32Å; K271-M494 HydrophobicContact CD-CG 3.83Å; K271-M494 HydrophobicContact CD-SD 4.38Å; K271-I498 HydrophobicContact CD-CD1 4.16Å; K271-I498 HydrophobicContact CD-CG1 3.83Å; K271-V502 PolarHBondContact NZ-O 3.06Å
272I98.5Very high96.2Very high0 Ų037.5 Ų37.50%021%0.206CC..EExtended strand (participates in β ladder)trans-126122.9180-56.4-178.5000109.4A4 I6 I248 A257 A259 I260 F269 D466 L467 Y468A4-I272 HydrophobicContact CB-CG1 4.4Å; A4-I272 WeakPolarHBondContact O-CA 3Å; I6-I272 HydrophobicContact CD1-CG2 3.66Å; I6-I272 HydrophobicContact CG1-CG2 4.2Å; I248-I272 HydrophobicContact CG2-CD1 4.08Å; A257-I272 HydrophobicContact CB-CB 4.28Å; A257-I272 HydrophobicContact CB-CD1 3.81Å; A257-I272 HydrophobicContact CB-CG1 4.1Å; A259-I272 WeakPolarHBondContact O-CD1 3.34Å; I260-I272 HydrophobicContact CG2-CD1 3.7Å; I260-I272 HydrophobicContact CG2-CG1 4.48Å; I260-I272 HydrophobicContact CG2-CG2 4.37Å; F269-I272 HydrophobicContact CB-CG1 4.39Å; I272-D466 PolarHBondContact N-O 3Å; I272-L467 HydrophobicContact CB-CD1 4.2Å; I272-L467 HydrophobicContact CG2-CD1 4.14Å; I272-L467 WeakPolarHBondContact O-CA 3.31Å; I272-Y468 PolarHBondContact O-N 2.91Å
273L98.6Very high95.9Very high0 Ų040.8 Ų40.80%022%0.221CC..EExtended strand (participates in β ladder)trans-107.1115.1170.5176.459.9000109.9A4 V5 I6 A15 I19 T275 A470 T490 M494A4-L273 PolarHBondContact O-N 3.09Å; V5-L273 CarbonylContact C-O 3.37Å; V5-L273 VanDerWaalsContact CA-O 3.31Å; V5-L273 WeakPolarHBondContact CA-O 3.28Å; V5-L273 HydrophobicContact CG2-CB 4.32Å; V5-L273 HydrophobicContact CG2-CD2 4.39Å; I6-L273 PolarHBondContact N-O 3.14Å; A15-L273 HydrophobicContact CB-CD2 3.35Å; I19-L273 HydrophobicContact CD1-CD2 4.1Å; L273-T275 HydrophobicContact CD2-CG2 4.4Å; L273-T275 HydrophobicContact CG-CG2 4.08Å; L273-A470 HydrophobicContact CD1-CB 4.22Å; L273-T490 HydrophobicContact CD1-CG2 3.47Å; L273-T490 VanDerWaalsContact CD1-CG2 3.47Å; L273-M494 HydrophobicContact CB-CE 3.74Å; L273-M494 HydrophobicContact CD1-CE 4.33Å; L273-M494 HydrophobicContact CD2-CE 4.4Å; L273-M494 HydrophobicContact CG-CE 4.38Å
274C98.2Very high95.8Very high1 Ų140.2 Ų40.21%0.00722%0.224CC..EExtended strand (participates in β ladder)trans-99.5120.8178.5-169.70000111.8I6 I248 V281 Y468 F469 A470I6-C274 HydrophobicContact CB-CB 4.44Å; I6-C274 HydrophobicContact CD1-CB 4.34Å; I248-C274 HydrophobicContact CD1-CB 4.41Å; C274-V281 WeakPolarHBondContact SG-CG2 3.49Å; C274-Y468 PolarHBondContact N-O 3.03Å; C274-F469 HydrophobicContact CB-CD1 3.94Å; C274-F469 HydrophobicContact CB-CE1 4.2Å; C274-F469 CarbonylContact O-C 3.57Å; C274-F469 VanDerWaalsContact O-CA 3.29Å; C274-F469 WeakPolarHBondContact O-CA 3.41Å; C274-A470 PolarHBondContact O-N 3.03Å
275T97.4Very high95.8Very high19 Ų1938.9 Ų38.912%0.11721%0.206CC..  trans-113.71179.173.60000114.2V5 I6 G7 T11 L273 A470V5-T275 HydrophobicContact CG1-CG2 4.32Å; I6-T275 WeakPolarHBondContact O-CA 3.33Å; I6-T275 PolarHBondContact O-N 2.97Å; I6-T275 PolarHBondContact O-OG1 2.84Å; G7-T275 PolarHBondContact O-OG1 2.82Å; T11-T275 HydrophobicContact CG2-CG2 3.91Å; L273-T275 HydrophobicContact CD2-CG2 4.4Å; L273-T275 HydrophobicContact CG-CG2 4.08Å; T275-A470 WeakPolarHBondContact CA-O 3.38Å; T275-A470 HydrophobicContact CG2-CB 4.25Å
276A94.1Very high95.8Very high38 Ų3834.7 Ų34.731%0.31418%0.184SC..SBendtrans-62.8161166.100000111.5I6 F278 V281I6-A276 PolarHBondContact O-N 2.93Å; A276-F278 PolarHBondContact O-N 3.36Å; A276-F278 VanDerWaalsContact O-N 3.13Å; A276-V281 HydrophobicContact CB-CG2 3.67Å
277D92.8Very high95.6Very high16 Ų1629.4 Ų29.49%0.08616%0.157CC..  trans-58.4118.4-176.1-168.156.7000111.3R38 P279 S280 V281 S473R38-D277 IonicContact NH2-OD1 2.92Å; D277-P279 WeakPolarHBondContact OD2-CD 3.4Å; D277-S280 WeakPolarHBondContact O-CB 3.39Å; D277-S280 PolarHBondContact O-N 2.91Å; D277-V281 WeakPolarHBondContact O-CG2 3.46Å; D277-V281 PolarHBondContact O-N 3.08Å; D277-S473 WeakPolarHBondContact OD1-CB 3.43Å; D277-S473 PolarHBondContact OD1-OG 3.3Å
278F95.2Very high95.2Very high5 Ų534 Ų342%0.02219%0.186CC..Hα-helixtrans-55-44.8-169.8178.3-84.6000114A276 S280 V281 A282 I292 Y295 I300 P457 F469A276-F278 PolarHBondContact O-N 3.36Å; A276-F278 VanDerWaalsContact O-N 3.13Å; F278-S280 VanDerWaalsContact C-N 3.34Å; F278-S280 PolarHBondContact O-N 3.34Å; F278-V281 PolarHBondContact O-N 3.34Å; F278-A282 HydrophobicContact CE1-CB 4.22Å; F278-A282 WeakPolarHBondContact O-CB 3.35Å; F278-A282 PolarHBondContact O-N 2.71Å; F278-I292 HydrophobicContact CE2-CD1 3.75Å; F278-I292 HydrophobicContact CZ-CD1 3.72Å; F278-I292 HydrophobicContact CZ-CG2 4.25Å; F278-Y295 HydrophobicContact CE1-CD1 4.26Å; F278-Y295 AromaticContact CE1-CD2 3.53Å; F278-Y295 HydrophobicContact CE1-CD2 3.53Å; F278-Y295 AromaticContact CE1-CE2 3.86Å; F278-Y295 HydrophobicContact CE1-CE2 3.86Å; F278-Y295 AromaticContact CE1-CG 3.75Å; F278-Y295 HydrophobicContact CE1-CG 3.75Å; F278-Y295 AromaticContact CZ-CD2 3.47Å; F278-Y295 HydrophobicContact CZ-CD2 3.47Å; F278-Y295 VanDerWaalsContact CZ-CD2 3.47Å; F278-Y295 AromaticContact CZ-CE2 3.76Å; F278-Y295 HydrophobicContact CZ-CE2 3.76Å; F278-Y295 HydrophobicContact CZ-CG 4.14Å; F278-I300 HydrophobicContact CE1-CD1 4.46Å; F278-P457 HydrophobicContact CB-CB 4.46Å; F278-P457 HydrophobicContact CD1-CB 3.53Å; F278-P457 HydrophobicContact CD1-CG 3.34Å; F278-P457 HydrophobicContact CD2-CB 3.79Å; F278-P457 HydrophobicContact CE1-CB 3.59Å; F278-P457 HydrophobicContact CE1-CG 3.46Å; F278-P457 VanDerWaalsContact CE1-CG 3.46Å; F278-P457 HydrophobicContact CE2-CB 3.84Å; F278-P457 HydrophobicContact CG-CB 3.64Å; F278-P457 HydrophobicContact CG-CG 3.93Å; F278-P457 HydrophobicContact CZ-CB 3.74Å; F278-P457 HydrophobicContact CZ-CG 4.12Å; F278-F469 HydrophobicContact CD2-CB 4.28Å; F278-F469 AromaticContact CD2-CD1 3.86Å; F278-F469 HydrophobicContact CD2-CD1 3.86Å; F278-F469 HydrophobicContact CD2-CD2 4.35Å; F278-F469 HydrophobicContact CD2-CE1 4.28Å; F278-F469 AromaticContact CD2-CG 3.9Å; F278-F469 HydrophobicContact CD2-CG 3.9Å; F278-F469 HydrophobicContact CE2-CD1 4.1Å; F278-F469 AromaticContact CE2-CD2 3.97Å; F278-F469 HydrophobicContact CE2-CD2 3.97Å; F278-F469 HydrophobicContact CE2-CE1 4.19Å; F278-F469 HydrophobicContact CE2-CE2 4.04Å; F278-F469 AromaticContact CE2-CG 3.99Å; F278-F469 HydrophobicContact CE2-CG 3.99Å; F278-F469 HydrophobicContact CE2-CZ 4.15Å
279P94.4Very high95Very high0 Ų033.5 Ų33.50%019%0.185CC..Hα-helixtrans-49.7-51172.2-32.437.3000113.8D277 V281 A282 E283 I300 Y305 K438 L445D277-P279 WeakPolarHBondContact OD2-CD 3.4Å; P279-V281 PolarHBondContact O-N 3.31Å; P279-A282 PolarHBondContact O-N 3.08Å; P279-E283 WeakPolarHBondContact O-CG 3.21Å; P279-E283 PolarHBondContact O-N 3.05Å; P279-E283 VanDerWaalsContact O-N 3.14Å; P279-I300 HydrophobicContact CB-CD1 4.5Å; P279-I300 HydrophobicContact CB-CG2 3.84Å; P279-Y305 HydrophobicContact CB-CE1 4.46Å; P279-Y305 WeakPolarHBondContact CB-OH 3.05Å; P279-Y305 HydrophobicContact CG-CE1 4.03Å; P279-K438 HydrophobicContact CB-CB 3.9Å; P279-K438 HydrophobicContact CB-CG 4.2Å; P279-L445 HydrophobicContact CG-CD2 4.19Å; P279-L445 HydrophobicContact CG-CG 4.29Å
280S92.2Very high94.8Very high20 Ų2032.8 Ų32.814%0.1418%0.182CC..Hα-helixtrans-64.5-41.8179.9-57.10000111.3D277 F278 A282 E283 S284 H436D277-S280 WeakPolarHBondContact O-CB 3.39Å; D277-S280 PolarHBondContact O-N 2.91Å; F278-S280 VanDerWaalsContact C-N 3.34Å; F278-S280 PolarHBondContact O-N 3.34Å; S280-A282 PolarHBondContact O-N 3.16Å; S280-E283 PolarHBondContact O-N 3.06Å; S280-S284 PolarHBondContact O-N 2.93Å; S280-S284 PolarHBondContact O-OG 3.39Å; S280-H436 PolarHBondContact OG-O 3.34Å
281V93.9Very high94.6Very high2 Ų231.5 Ų31.51%0.01218%0.179CC..Iπ-helixtrans-60.1-45.3175.6176.60000111.7I248 C274 A276 D277 F278 P279 E283 L285 M286 F469I248-V281 HydrophobicContact CD1-CG1 4.29Å; C274-V281 WeakPolarHBondContact SG-CG2 3.49Å; A276-V281 HydrophobicContact CB-CG2 3.67Å; D277-V281 WeakPolarHBondContact O-CG2 3.46Å; D277-V281 PolarHBondContact O-N 3.08Å; F278-V281 PolarHBondContact O-N 3.34Å; P279-V281 PolarHBondContact O-N 3.31Å; V281-E283 VanDerWaalsContact C-N 3.26Å; V281-E283 PolarHBondContact O-N 3.38Å; V281-L285 HydrophobicContact CG1-CB 4.24Å; V281-L285 HydrophobicContact CG1-CD1 4.4Å; V281-L285 HydrophobicContact CG2-CD1 4.06Å; V281-L285 PolarHBondContact O-N 2.81Å; V281-L285 VanDerWaalsContact O-N 3.15Å; V281-M286 PolarHBondContact O-N 3.27Å; V281-F469 HydrophobicContact CG1-CE1 3.9Å
282A94.8Very high94.4Very high10 Ų1031.7 Ų31.78%0.08318%0.18CC..Iπ-helixtrans-64.3-31.5-179.200000112.6F278 P279 S280 I292 I300F278-A282 HydrophobicContact CE1-CB 4.22Å; F278-A282 WeakPolarHBondContact O-CB 3.35Å; F278-A282 PolarHBondContact O-N 2.71Å; P279-A282 PolarHBondContact O-N 3.08Å; S280-A282 PolarHBondContact O-N 3.16Å; A282-I292 HydrophobicContact CB-CD1 3.97Å; A282-I300 HydrophobicContact CB-CD1 4.09Å; A282-I300 HydrophobicContact CB-CG1 4.25Å
283E91.3Very high94.1Very high69 Ų6937.9 Ų37.932%0.32221%0.207SC..Iπ-helixtrans-87.4-41.4-179.3-72-179.4152.300113.9P279 S280 V281 I300 K438P279-E283 WeakPolarHBondContact O-CG 3.21Å; P279-E283 PolarHBondContact O-N 3.05Å; P279-E283 VanDerWaalsContact O-N 3.14Å; S280-E283 PolarHBondContact O-N 3.06Å; V281-E283 VanDerWaalsContact C-N 3.26Å; V281-E283 PolarHBondContact O-N 3.38Å; E283-I300 HydrophobicContact CG-CB 4.29Å; E283-I300 HydrophobicContact CG-CG1 4.31Å; E283-I300 HydrophobicContact CG-CG2 4.03Å; E283-I300 VanDerWaalsContact OE1-CG2 3.27Å; E283-I300 WeakPolarHBondContact OE1-CG2 3.36Å; E283-K438 WeakPolarHBondContact OE1-CE 3.35Å; E283-K438 IonicContact OE1-NZ 2.9Å; E283-K438 PolarHBondContact OE1-NZ 3.07Å; E283-K438 WeakPolarHBondContact OE2-CE 3.41Å; E283-K438 IonicContact OE2-NZ 2.8Å; E283-K438 PolarHBondContact OE2-NZ 2.8Å
284S91.3Very high93.8Very high79 Ų7941.9 Ų41.955%0.55222%0.224SC*.Iπ-helixtrans-114.9-27.5-166.969.40000115.6S280S280-S284 PolarHBondContact O-N 2.93Å; S280-S284 PolarHBondContact O-OG 3.39Å
285L94.8Very high93.6Very high20 Ų2042.5 Ų42.511%0.10523%0.226CC..Iπ-helixtrans-96.3-15.8-173.9-59.2-167.9000113.6I245 Q247 I248 V281I245-L285 HydrophobicContact CG2-CD1 4.44Å; I245-L285 WeakPolarHBondContact O-CD2 3.36Å; Q247-L285 CarbonylContact C-O 3.33Å; Q247-L285 WeakPolarHBondContact CA-O 3.49Å; I248-L285 HydrophobicContact CG1-CB 4.47Å; I248-L285 PolarHBondContact N-O 3.04Å; V281-L285 HydrophobicContact CG1-CB 4.24Å; V281-L285 HydrophobicContact CG1-CD1 4.4Å; V281-L285 HydrophobicContact CG2-CD1 4.06Å; V281-L285 PolarHBondContact O-N 2.81Å; V281-L285 VanDerWaalsContact O-N 3.15Å
286M95.8Very high93.3Very high11 Ų1143.3 Ų43.35%0.05423%0.232CC..SBendtrans-87.8140.9177.8-60.9-61.9-57.200110.3I248 I250 V281 A290 I292 Y464 L467I248-M286 HydrophobicContact CB-SD 4.36Å; I248-M286 HydrophobicContact CD1-SD 4.22Å; I250-M286 HydrophobicContact CD1-CE 4.02Å; I250-M286 HydrophobicContact CG1-CE 3.9Å; V281-M286 PolarHBondContact O-N 3.27Å; M286-A290 WeakPolarHBondContact CE-O 3.28Å; M286-I292 HydrophobicContact CE-CG1 4.32Å; M286-I292 HydrophobicContact CG-CD1 4.21Å; M286-I292 HydrophobicContact CG-CG1 4Å; M286-I292 HydrophobicContact SD-CG1 4.36Å; M286-Y464 HydrophobicContact CE-CD2 3.69Å; M286-Y464 HydrophobicContact CE-CE2 3.48Å; M286-Y464 VanDerWaalsContact CE-CE2 3.48Å; M286-L467 HydrophobicContact CE-CD2 4.18Å; M286-L467 HydrophobicContact SD-CD2 4.23Å
287P93.3Very high93.1Very high4 Ų445.5 Ų45.53%0.02624%0.243CC..  trans-69.8145.2176.629.5-33.8000110.7I248 I250 F289 A290I248-P287 WeakPolarHBondContact O-CD 3.21Å; I250-P287 HydrophobicContact CB-CG 4.35Å; I250-P287 HydrophobicContact CG1-CG 4.15Å; P287-F289 HydrophobicContact CB-CD1 3.81Å; P287-F289 HydrophobicContact CB-CE1 3.52Å; P287-F289 HydrophobicContact CB-CZ 4.04Å; P287-F289 HydrophobicContact CG-CD1 4.37Å; P287-F289 HydrophobicContact CG-CE1 3.91Å; P287-F289 HydrophobicContact CG-CE2 4.36Å; P287-F289 HydrophobicContact CG-CZ 3.89Å; P287-F289 PolarHBondContact O-N 3.07Å; P287-A290 HydrophobicContact CG-CB 3.93Å; P287-A290 CarbonylContact O-C 3.59Å; P287-A290 PolarHBondContact O-N 3.31Å
288D91.5Very high93Very high166 Ų16650.7 Ų50.789%0.88827%0.266SS*.THydrogen-bonded Turntrans-52.9-33.3-178.7-65.8-20.2000113.8A290 P291D288-A290 VanDerWaalsContact C-N 3.33Å; D288-P291 WeakPolarHBondContact O-CD 3.46Å
289F92.8Very high92.9Very high136 Ų13654.8 Ų54.860%0.59628%0.284SS*.THydrogen-bonded Turntrans-78.6-14.6179.272-98000113.8P252 P287P252-F289 HydrophobicContact CB-CD2 4.47Å; P252-F289 HydrophobicContact CB-CE2 4.01Å; P252-F289 HydrophobicContact CG-CE2 4.5Å; P287-F289 HydrophobicContact CB-CD1 3.81Å; P287-F289 HydrophobicContact CB-CE1 3.52Å; P287-F289 HydrophobicContact CB-CZ 4.04Å; P287-F289 HydrophobicContact CG-CD1 4.37Å; P287-F289 HydrophobicContact CG-CE1 3.91Å; P287-F289 HydrophobicContact CG-CE2 4.36Å; P287-F289 HydrophobicContact CG-CZ 3.89Å; P287-F289 PolarHBondContact O-N 3.07Å
290A93.4Very high92.9Very high6 Ų654.8 Ų54.85%0.0528%0.284CS..SBendtrans-136.962.3-179.500000111.8I250 M286 P287 D288 Y464I250-A290 HydrophobicContact CB-CB 4.03Å; I250-A290 HydrophobicContact CG1-CB 4.18Å; I250-A290 HydrophobicContact CG2-CB 3.98Å; M286-A290 WeakPolarHBondContact CE-O 3.28Å; P287-A290 HydrophobicContact CG-CB 3.93Å; P287-A290 CarbonylContact O-C 3.59Å; P287-A290 PolarHBondContact O-N 3.31Å; D288-A290 VanDerWaalsContact C-N 3.33Å; A290-Y464 WeakPolarHBondContact CA-OH 3.32Å; A290-Y464 HydrophobicContact CB-CE1 3.83Å; A290-Y464 WeakPolarHBondContact CB-OH 3.13Å; A290-Y464 PolarHBondContact O-OH 3.35Å
291P93.9Very high92.9Very high56 Ų5655.4 Ų55.436%0.36429%0.291SS..  trans-69.4164.3175.932.4-36.6000111.1D288 K293 Y464D288-P291 WeakPolarHBondContact O-CD 3.46Å; P291-K293 PolarHBondContact O-N 3.16Å; P291-Y464 PolarHBondContact O-OH 3.32Å
292I94.2Very high92.9Very high8 Ų860.5 Ų60.54%0.04132%0.318CS..  trans-74.9109.1168.1-56.3173.9000107.9F278 A282 M286 K294 Y295 F469F278-I292 HydrophobicContact CE2-CD1 3.75Å; F278-I292 HydrophobicContact CZ-CD1 3.72Å; F278-I292 HydrophobicContact CZ-CG2 4.25Å; A282-I292 HydrophobicContact CB-CD1 3.97Å; M286-I292 HydrophobicContact CE-CG1 4.32Å; M286-I292 HydrophobicContact CG-CD1 4.21Å; M286-I292 HydrophobicContact CG-CG1 4Å; M286-I292 HydrophobicContact SD-CG1 4.36Å; I292-K294 VanDerWaalsContact C-N 3.28Å; I292-K294 PolarHBondContact O-N 2.68Å; I292-K294 VanDerWaalsContact O-N 3.15Å; I292-Y295 HydrophobicContact CG2-CD2 3.81Å; I292-Y295 CarbonylContact O-C 3.21Å; I292-Y295 PolarHBondContact O-N 3.17Å; I292-F469 HydrophobicContact CD1-CE1 4.22Å; I292-F469 HydrophobicContact CD1-CE2 4.26Å; I292-F469 HydrophobicContact CD1-CZ 3.63Å
293K92.4Very high92.8Very high129 Ų12960.5 Ų60.556%0.56132%0.316SS*.THydrogen-bonded Turntrans-64.1-31.7-162.5-64.1-177.9-168.81570113.9P291 Y295 D463P291-K293 PolarHBondContact O-N 3.16Å; K293-Y295 VanDerWaalsContact C-N 3.25Å; K293-Y295 PolarHBondContact O-N 3.39Å; K293-D463 VanDerWaalsContact CD-OD1 3.32Å; K293-D463 WeakPolarHBondContact CD-OD1 3.44Å; K293-D463 WeakPolarHBondContact CG-OD1 3.44Å; K293-D463 PolarHBondContact N-OD2 3.5Å; K293-D463 IonicContact NZ-OD1 3.88Å
294K91.8Very high92.8Very high84 Ų8460.7 Ų60.737%0.36532%0.32SS..THydrogen-bonded Turntrans-74.1-18.3178.3-169-177.5174.6-145.20112.3I292 Y455I292-K294 VanDerWaalsContact C-N 3.28Å; I292-K294 PolarHBondContact O-N 2.68Å; I292-K294 VanDerWaalsContact O-N 3.15Å; K294-Y455 PolarHBondContact NZ-O 3.12Å
295Y93.7Very high92.8Very high15 Ų1557.3 Ų57.36%0.05930%0.295CS..  trans-130.160.8-173.2-58.3-76.2000111.8F278 I292 K293 K299 I300 Y455 R456 P457F278-Y295 HydrophobicContact CE1-CD1 4.26Å; F278-Y295 AromaticContact CE1-CD2 3.53Å; F278-Y295 HydrophobicContact CE1-CD2 3.53Å; F278-Y295 AromaticContact CE1-CE2 3.86Å; F278-Y295 HydrophobicContact CE1-CE2 3.86Å; F278-Y295 AromaticContact CE1-CG 3.75Å; F278-Y295 HydrophobicContact CE1-CG 3.75Å; F278-Y295 AromaticContact CZ-CD2 3.47Å; F278-Y295 HydrophobicContact CZ-CD2 3.47Å; F278-Y295 VanDerWaalsContact CZ-CD2 3.47Å; F278-Y295 AromaticContact CZ-CE2 3.76Å; F278-Y295 HydrophobicContact CZ-CE2 3.76Å; F278-Y295 HydrophobicContact CZ-CG 4.14Å; I292-Y295 HydrophobicContact CG2-CD2 3.81Å; I292-Y295 CarbonylContact O-C 3.21Å; I292-Y295 PolarHBondContact O-N 3.17Å; K293-Y295 VanDerWaalsContact C-N 3.25Å; K293-Y295 PolarHBondContact O-N 3.39Å; Y295-K299 HydrophobicContact CD1-CG 4.35Å; Y295-I300 HydrophobicContact CD1-CD1 4.14Å; Y295-I300 HydrophobicContact CG-CD1 4.22Å; Y295-Y455 PolarHBondContact OH-O 3.21Å; Y295-R456 PolarHBondContact OH-O 3.43Å; Y295-P457 HydrophobicContact CE1-CG 4.08Å; Y295-P457 HydrophobicContact CE2-CB 4.33Å; Y295-P457 HydrophobicContact CE2-CG 4.17Å; Y295-P457 WeakPolarHBondContact OH-CA 3.38Å; Y295-P457 VanDerWaalsContact OH-N 3.12Å
296P91.1Very high92.6Very high36 Ų3656.4 Ų56.423%0.23429%0.29CS..  trans-60.6161.4167.729.8-37000110.7H298 K299 I300P296-H298 VanDerWaalsContact C-N 3.32Å; P296-H298 WeakPolarHBondContact CG-CE1 3.3Å; P296-H298 PolarHBondContact O-N 3.4Å; P296-H298 VanDerWaalsContact O-N 3.14Å; P296-K299 HydrophobicContact CG-CB 3.82Å; P296-K299 WeakPolarHBondContact O-CA 3.49Å; P296-K299 WeakPolarHBondContact O-CB 3.23Å; P296-K299 PolarHBondContact O-N 3.44Å; P296-I300 PolarHBondContact O-N 3.34Å; P296-I300 VanDerWaalsContact O-N 3.12Å
297P89.6Confident92.4Very high84 Ų8456 Ų5655%0.54529%0.289SS..Hα-helixtrans-51.6-42.5-174.4-3136000115.1K299 I300 A301P297-K299 VanDerWaalsContact C-N 3.28Å; P297-K299 PolarHBondContact O-N 2.82Å; P297-I300 PolarHBondContact O-N 2.83Å; P297-A301 PolarHBondContact O-N 3.21Å
298H91.9Very high92.5Very high124 Ų12455.9 Ų55.957%0.57429%0.288SS*.Hα-helixtrans-60.5-39175.967.6-91.9000112.1P296 I300 A301 D302P296-H298 VanDerWaalsContact C-N 3.32Å; P296-H298 WeakPolarHBondContact CG-CE1 3.3Å; P296-H298 PolarHBondContact O-N 3.4Å; P296-H298 VanDerWaalsContact O-N 3.14Å; H298-I300 VanDerWaalsContact C-N 3.34Å; H298-I300 PolarHBondContact O-N 2.97Å; H298-A301 PolarHBondContact O-N 3.28Å; H298-D302 WeakPolarHBondContact O-CB 3.16Å; H298-D302 PolarHBondContact O-N 3.19Å
299K93.2Very high92.6Very high91 Ų9148 Ų4840%0.39625%0.245SC..Hα-helixtrans-68.6-35.5179.2-175.659.2-178.5168.60111.5Y295 P296 P297 L303Y295-K299 HydrophobicContact CD1-CG 4.35Å; P296-K299 HydrophobicContact CG-CB 3.82Å; P296-K299 WeakPolarHBondContact O-CA 3.49Å; P296-K299 WeakPolarHBondContact O-CB 3.23Å; P296-K299 PolarHBondContact O-N 3.44Å; P297-K299 VanDerWaalsContact C-N 3.28Å; P297-K299 PolarHBondContact O-N 2.82Å; K299-L303 WeakPolarHBondContact O-CG 3.41Å; K299-L303 PolarHBondContact O-N 2.94Å
300I93.7Very high92.8Very high0 Ų041.5 Ų41.50%022%0.217CC..Hα-helixtrans-64.7-46.9173.7-68.1-60.5000110.4F278 P279 A282 E283 Y295 P296 P297 H298 D302 L303 Y305F278-I300 HydrophobicContact CE1-CD1 4.46Å; P279-I300 HydrophobicContact CB-CD1 4.5Å; P279-I300 HydrophobicContact CB-CG2 3.84Å; A282-I300 HydrophobicContact CB-CD1 4.09Å; A282-I300 HydrophobicContact CB-CG1 4.25Å; E283-I300 HydrophobicContact CG-CB 4.29Å; E283-I300 HydrophobicContact CG-CG1 4.31Å; E283-I300 HydrophobicContact CG-CG2 4.03Å; E283-I300 VanDerWaalsContact OE1-CG2 3.27Å; E283-I300 WeakPolarHBondContact OE1-CG2 3.36Å; Y295-I300 HydrophobicContact CD1-CD1 4.14Å; Y295-I300 HydrophobicContact CG-CD1 4.22Å; P296-I300 PolarHBondContact O-N 3.34Å; P296-I300 VanDerWaalsContact O-N 3.12Å; P297-I300 PolarHBondContact O-N 2.83Å; H298-I300 VanDerWaalsContact C-N 3.34Å; H298-I300 PolarHBondContact O-N 2.97Å; I300-D302 PolarHBondContact O-N 3.02Å; I300-L303 HydrophobicContact CD1-CD1 3.91Å; I300-L303 WeakPolarHBondContact O-CB 3.42Å; I300-L303 PolarHBondContact O-N 3.41Å; I300-L303 VanDerWaalsContact O-N 3.16Å; I300-Y305 PolarHBondContact O-OH 3.14Å
301A92.9Very high93Very high34 Ų3441.2 Ų41.228%0.28121%0.214SC..Hα-helixtrans-58.9-36.6176.900000112.9P297 H298 L303 K383P297-A301 PolarHBondContact O-N 3.21Å; H298-A301 PolarHBondContact O-N 3.28Å; A301-L303 VanDerWaalsContact C-N 3.33Å; A301-L303 PolarHBondContact O-N 3.42Å; A301-K383 PolarHBondContact O-NZ 2.9Å
302D93.1Very high93.2Very high108 Ų10838.5 Ų38.558%0.57820%0.197SC*.THydrogen-bonded Turntrans-80.6-3.6-179.9-66.4-19.4000114.5H298 I300H298-D302 WeakPolarHBondContact O-CB 3.16Å; H298-D302 PolarHBondContact O-N 3.19Å; I300-D302 PolarHBondContact O-N 3.02Å
303L93.4Very high93.4Very high10 Ų1038.2 Ų38.25%0.05220%0.195CC..SBendtrans-67.2151.8174.7-64.9177.1000111K299 I300 A301 Y305 K383 L445 Q451K299-L303 WeakPolarHBondContact O-CG 3.41Å; K299-L303 PolarHBondContact O-N 2.94Å; I300-L303 HydrophobicContact CD1-CD1 3.91Å; I300-L303 WeakPolarHBondContact O-CB 3.42Å; I300-L303 PolarHBondContact O-N 3.41Å; I300-L303 VanDerWaalsContact O-N 3.16Å; A301-L303 VanDerWaalsContact C-N 3.33Å; A301-L303 PolarHBondContact O-N 3.42Å; L303-Y305 HydrophobicContact CB-CD2 4.48Å; L303-Y305 HydrophobicContact CB-CE2 3.81Å; L303-Y305 WeakPolarHBondContact O-CD2 3.41Å; L303-Y305 WeakPolarHBondContact O-CE2 3.49Å; L303-K383 PolarHBondContact O-NZ 3.21Å; L303-L445 HydrophobicContact CB-CD2 3.73Å; L303-L445 HydrophobicContact CD1-CD1 3.99Å; L303-L445 HydrophobicContact CD1-CD2 3.61Å; L303-L445 HydrophobicContact CD1-CG 4.47Å; L303-L445 HydrophobicContact CG-CD2 4.26Å; L303-Q451 VanDerWaalsContact CD2-OE1 3.3Å
304D91.2Very high93.7Very high74 Ų7432 Ų3240%0.39617%0.169SC..  trans-80.9123.3172.5-57.5-49.1000109M446 T448 Q451D304-M446 HydrophobicContact CB-CB 3.9Å; D304-M446 HydrophobicContact CB-SD 4.37Å; D304-M446 WeakPolarHBondContact O-CB 3.36Å; D304-M446 PolarHBondContact O-N 2.96Å; D304-T448 HydrophobicContact CB-CG2 4.33Å; D304-Q451 PolarHBondContact O-NE2 2.93Å
305Y91.8Very high94Very high8 Ų828 Ų283%0.03115%0.151CC..BIsolated β-bridgetrans-105.6142.6178-71.2-90.7000109.9P279 I300 L303 K438 F439 S441 L445 M446P279-Y305 HydrophobicContact CB-CE1 4.46Å; P279-Y305 WeakPolarHBondContact CB-OH 3.05Å; P279-Y305 HydrophobicContact CG-CE1 4.03Å; I300-Y305 PolarHBondContact O-OH 3.14Å; L303-Y305 HydrophobicContact CB-CD2 4.48Å; L303-Y305 HydrophobicContact CB-CE2 3.81Å; L303-Y305 WeakPolarHBondContact O-CD2 3.41Å; L303-Y305 WeakPolarHBondContact O-CE2 3.49Å; Y305-K438 HydrophobicContact CD1-CB 4.49Å; Y305-K438 HydrophobicContact CE1-CB 3.66Å; Y305-K438 HydrophobicContact CE1-CG 3.8Å; Y305-K438 HydrophobicContact CE2-CG 4.39Å; Y305-K438 WeakPolarHBondContact OH-CG 3.47Å; Y305-F439 AromaticContact CD2-CD2 3.54Å; Y305-F439 HydrophobicContact CD2-CD2 3.54Å; Y305-F439 AromaticContact CD2-CE2 3.87Å; Y305-F439 HydrophobicContact CD2-CE2 3.87Å; Y305-F439 AromaticContact CE2-CD2 3.6Å; Y305-F439 HydrophobicContact CE2-CD2 3.6Å; Y305-F439 AromaticContact CE2-CE2 3.55Å; Y305-F439 HydrophobicContact CE2-CE2 3.55Å; Y305-F439 HydrophobicContact CG-CD2 4.02Å; Y305-S441 WeakPolarHBondContact CD1-OG 3.12Å; Y305-L445 HydrophobicContact CD1-CD2 3.95Å; Y305-L445 HydrophobicContact CE1-CD2 3.53Å; Y305-L445 HydrophobicContact CE2-CD2 4.31Å; Y305-M446 WeakPolarHBondContact O-CE 3.32Å
306S90.8Very high94.2Very high1 Ų127.4 Ų27.41%0.00715%0.149CC..  trans-62161.6172.556.90000110.6E381 F443 G444S306-E381 WeakPolarHBondContact O-CG 3.11Å; S306-F443 WeakPolarHBondContact OG-CA 3.38Å; S306-F443 VanDerWaalsContact OG-CB 3.31Å; S306-F443 WeakPolarHBondContact OG-CB 3.35Å; S306-F443 PolarHBondContact OG-N 3.47Å; S306-G444 WeakPolarHBondContact CB-O 3.24Å; S306-G444 PolarHBondContact N-O 2.97Å; S306-G444 PolarHBondContact OG-N 2.88Å; S306-G444 VanDerWaalsContact OG-N 3.16Å; S306-G444 PolarHBondContact OG-O 3.01Å
307C91.8Very high94.6Very high3 Ų329.1 Ų29.12%0.0216%0.156CC..  trans-57.3161.5171.8700000111.6G192 I342 F343 T379 A442G192-C307 WeakPolarHBondContact CA-SG 3.43Å; G192-C307 PolarHBondContact O-N 3.49Å; C307-I342 HydrophobicContact CB-CG2 3.66Å; C307-F343 HydrophobicContact CB-CE1 4.41Å; C307-F343 HydrophobicContact CB-CZ 4.31Å; C307-T379 WeakPolarHBondContact CB-O 3.3Å; C307-A442 PolarHBondContact O-N 3.41Å
308S94.2Very high94.9Very high0 Ų027.5 Ų27.50%014%0.142CC..EExtended strand (participates in β ladder)trans-97.4-170.4170.6-164.20000110.7T379 P428 G440S308-T379 CarbonylContact C-O 3.57Å; S308-T379 VanDerWaalsContact C-OG1 3.3Å; S308-T379 PolarHBondContact N-O 2.97Å; S308-T379 PolarHBondContact O-N 3Å; S308-T379 VanDerWaalsContact O-O 3.11Å; S308-T379 PolarHBondContact O-OG1 3.48Å; S308-P428 WeakPolarHBondContact OG-CA 3.48Å; S308-P428 WeakPolarHBondContact OG-CB 3.12Å; S308-P428 VanDerWaalsContact OG-CG 3.29Å; S308-P428 WeakPolarHBondContact OG-CG 3.43Å; S308-G440 VanDerWaalsContact CB-O 3.28Å; S308-G440 WeakPolarHBondContact CB-O 3.29Å; S308-G440 PolarHBondContact OG-O 2.91Å
309A94.7Very high95.2Very high0 Ų024.7 Ų24.70%013%0.132CC..EExtended strand (participates in β ladder)trans-140.5146.5178.300000110.8L311 L376 M377 T379 F431 A442A309-L311 HydrophobicContact CB-CD2 3.82Å; A309-L311 HydrophobicContact CB-CG 4.38Å; A309-L376 HydrophobicContact CB-CD1 4.19Å; A309-L376 HydrophobicContact CB-CD2 4.41Å; A309-L376 HydrophobicContact CB-CG 3.94Å; A309-M377 WeakPolarHBondContact CA-O 3.21Å; A309-T379 WeakPolarHBondContact CA-OG1 3.46Å; A309-T379 PolarHBondContact N-OG1 3.18Å; A309-F431 HydrophobicContact CB-CE2 4.03Å; A309-F431 HydrophobicContact CB-CZ 4.28Å; A309-F431 WeakPolarHBondContact O-CE2 3.36Å; A309-A442 HydrophobicContact CB-CB 4.22Å
310F96.7Very high95.4Very high0 Ų020.4 Ų20.40%011%0.113CC..EExtended strand (participates in β ladder)trans-100.7119.3159.2-176.2-86.8000107.6M312 M377 T379 W390 T396 I399 I403 I425 T427F310-M312 HydrophobicContact CD1-CG 4.1Å; F310-M312 HydrophobicContact CE1-CG 3.53Å; F310-M312 HydrophobicContact CE1-SD 3.97Å; F310-M377 HydrophobicContact CB-CB 4.43Å; F310-M377 HydrophobicContact CB-CE 4.04Å; F310-M377 PolarHBondContact N-O 3Å; F310-M377 PolarHBondContact O-N 3.39Å; F310-T379 HydrophobicContact CB-CG2 3.91Å; F310-W390 HydrophobicContact CB-CZ3 4.37Å; F310-W390 HydrophobicContact CD2-CE3 4.09Å; F310-W390 HydrophobicContact CD2-CH2 4.44Å; F310-W390 AromaticContact CD2-CZ3 3.51Å; F310-W390 HydrophobicContact CD2-CZ3 3.51Å; F310-W390 HydrophobicContact CE2-CZ3 4.21Å; F310-W390 HydrophobicContact CG-CZ3 4.37Å; F310-T396 HydrophobicContact CE2-CG2 4.49Å; F310-T396 HydrophobicContact CZ-CG2 4.29Å; F310-I399 HydrophobicContact CD1-CG2 3.65Å; F310-I399 HydrophobicContact CD2-CD1 4.27Å; F310-I399 HydrophobicContact CD2-CG2 4.27Å; F310-I399 HydrophobicContact CE1-CB 4.47Å; F310-I399 HydrophobicContact CE1-CG2 3.56Å; F310-I399 HydrophobicContact CE2-CD1 4.23Å; F310-I399 HydrophobicContact CE2-CG2 4.18Å; F310-I399 HydrophobicContact CG-CG2 3.99Å; F310-I399 HydrophobicContact CZ-CB 4.28Å; F310-I399 HydrophobicContact CZ-CG2 3.82Å; F310-I403 HydrophobicContact CD1-CD1 3.72Å; F310-I403 HydrophobicContact CE1-CD1 3.85Å; F310-I425 HydrophobicContact CD2-CG2 4.16Å; F310-I425 HydrophobicContact CE1-CG2 4Å; F310-I425 HydrophobicContact CE2-CG2 3.4Å; F310-I425 VanDerWaalsContact CE2-CG2 3.4Å; F310-I425 HydrophobicContact CZ-CB 4.44Å; F310-I425 HydrophobicContact CZ-CD1 4.17Å; F310-I425 HydrophobicContact CZ-CG1 4.32Å; F310-I425 HydrophobicContact CZ-CG2 3.31Å; F310-T427 HydrophobicContact CD2-CG2 3.99Å; F310-T427 HydrophobicContact CE2-CG2 3.98Å
311L97.3Very high95.5Very high0 Ų021 Ų210%012%0.117CC..EExtended strand (participates in β ladder)trans-106.9137.2-179.2-50.3-178.9000110.5A309 Y313 Y374 V375 L376 I425 F426 F431A309-L311 HydrophobicContact CB-CD2 3.82Å; A309-L311 HydrophobicContact CB-CG 4.38Å; L311-Y313 HydrophobicContact CB-CE2 4.26Å; L311-Y313 VanDerWaalsContact CD1-OH 3.32Å; L311-Y313 WeakPolarHBondContact CD1-OH 3.28Å; L311-Y374 HydrophobicContact CB-CE2 4.46Å; L311-Y374 HydrophobicContact CD1-CE2 3.93Å; L311-Y374 HydrophobicContact CD2-CE1 4.48Å; L311-Y374 HydrophobicContact CD2-CE2 4.05Å; L311-Y374 WeakPolarHBondContact CD2-OH 3.27Å; L311-Y374 HydrophobicContact CG-CE2 4.38Å; L311-V375 CarbonylContact C-O 3.58Å; L311-V375 VanDerWaalsContact CA-O 3.26Å; L311-V375 WeakPolarHBondContact CA-O 3.44Å; L311-L376 HydrophobicContact CD2-CB 3.67Å; L311-L376 HydrophobicContact CD2-CD1 3.89Å; L311-L376 HydrophobicContact CD2-CG 3.62Å; L311-I425 CarbonylContact O-C 3.57Å; L311-I425 WeakPolarHBondContact O-CA 3.46Å; L311-F426 HydrophobicContact CB-CB 4.09Å; L311-F426 HydrophobicContact CD1-CB 4.42Å; L311-F426 HydrophobicContact CD1-CD1 4.33Å; L311-F426 PolarHBondContact N-O 3.28Å; L311-F426 PolarHBondContact O-N 3.46Å; L311-F431 HydrophobicContact CD1-CE2 4.38Å; L311-F431 HydrophobicContact CD1-CZ 3.8Å; L311-F431 HydrophobicContact CG-CE2 4.45Å; L311-F431 HydrophobicContact CG-CZ 4.27Å
312M97.8Very high95.7Very high0 Ų026.4 Ų26.40%014%0.141CC..EExtended strand (participates in β ladder)trans-118.8129.3166.1-65.4-178.865.300109.9F310 I314 Y374 V375 K400 I403 Y404 E423 T424F310-M312 HydrophobicContact CD1-CG 4.1Å; F310-M312 HydrophobicContact CE1-CG 3.53Å; F310-M312 HydrophobicContact CE1-SD 3.97Å; M312-I314 HydrophobicContact CB-CD1 4.29Å; M312-I314 HydrophobicContact CB-CG1 4.11Å; M312-I314 HydrophobicContact CE-CD1 3.97Å; M312-I314 HydrophobicContact CE-CG1 4.21Å; M312-Y374 CarbonylContact O-C 3.53Å; M312-Y374 WeakPolarHBondContact O-CA 3.29Å; M312-V375 HydrophobicContact CB-CB 4.3Å; M312-V375 PolarHBondContact N-O 3.49Å; M312-V375 PolarHBondContact O-N 2.92Å; M312-K400 HydrophobicContact CE-CB 4.37Å; M312-K400 HydrophobicContact CE-CD 4.47Å; M312-K400 HydrophobicContact CE-CG 3.8Å; M312-K400 HydrophobicContact SD-CG 4.01Å; M312-I403 HydrophobicContact CG-CD1 4.06Å; M312-I403 HydrophobicContact SD-CB 3.96Å; M312-I403 HydrophobicContact SD-CD1 3.46Å; M312-I403 WeakPolarHBondContact SD-CD1 3.45Å; M312-I403 HydrophobicContact SD-CG1 4.3Å; M312-I403 HydrophobicContact SD-CG2 3.75Å; M312-Y404 HydrophobicContact CE-CE1 3.8Å; M312-E423 HydrophobicContact CE-CG 4.33Å; M312-E423 WeakPolarHBondContact CE-OE2 3.48Å; M312-T424 WeakPolarHBondContact CA-O 3.32Å
313Y98.3Very high95.8Very high1 Ų126.8 Ų26.80%0.00414%0.139CC..EExtended strand (participates in β ladder)trans-107.1109.6169.8-50.8-84000107.8L42 F49 M51 L311 Y374 E423 T424 F426L42-Y313 HydrophobicContact CD2-CD1 4.46Å; L42-Y313 HydrophobicContact CD2-CD2 3.63Å; L42-Y313 HydrophobicContact CD2-CE2 4.16Å; L42-Y313 HydrophobicContact CD2-CG 3.8Å; F49-Y313 HydrophobicContact CB-CD1 3.41Å; F49-Y313 VanDerWaalsContact CB-CD1 3.41Å; F49-Y313 HydrophobicContact CB-CE1 3.93Å; F49-Y313 HydrophobicContact CB-CG 4.27Å; F49-Y313 HydrophobicContact CD1-CD1 4.08Å; F49-Y313 HydrophobicContact CD2-CD1 4.34Å; F49-Y313 HydrophobicContact CD2-CG 4.43Å; F49-Y313 AromaticContact CG-CD1 3.72Å; F49-Y313 HydrophobicContact CG-CD1 3.72Å; F49-Y313 HydrophobicContact CG-CG 4.2Å; M51-Y313 WeakPolarHBondContact CA-OH 3.27Å; M51-Y313 PolarHBondContact O-OH 2.91Å; L311-Y313 HydrophobicContact CB-CE2 4.26Å; L311-Y313 VanDerWaalsContact CD1-OH 3.32Å; L311-Y313 WeakPolarHBondContact CD1-OH 3.28Å; Y313-Y374 AromaticContact CD1-CD2 3.72Å; Y313-Y374 HydrophobicContact CD1-CD2 3.72Å; Y313-Y374 HydrophobicContact CD1-CE2 4.45Å; Y313-Y374 AromaticContact CE1-CD2 3.36Å; Y313-Y374 HydrophobicContact CE1-CD2 3.36Å; Y313-Y374 AromaticContact CE1-CE2 3.69Å; Y313-Y374 HydrophobicContact CE1-CE2 3.69Å; Y313-E423 CarbonylContact O-C 3.57Å; Y313-E423 VanDerWaalsContact O-CA 3.3Å; Y313-E423 WeakPolarHBondContact O-CA 3.41Å; Y313-T424 HydrophobicContact CD2-CG2 4.3Å; Y313-T424 PolarHBondContact N-O 3.24Å; Y313-T424 PolarHBondContact O-N 3.23Å; Y313-F426 HydrophobicContact CE2-CB 3.92Å
314I98.4Very high95.9Very high0 Ų026.4 Ų26.40%014%0.137CC..EExtended strand (participates in β ladder)trans-115.5122.6-172.2-51.5172.1000108.1M312 I316 G372 I373 V375 Y404 L407 I420 S422M312-I314 HydrophobicContact CB-CD1 4.29Å; M312-I314 HydrophobicContact CB-CG1 4.11Å; M312-I314 HydrophobicContact CE-CD1 3.97Å; M312-I314 HydrophobicContact CE-CG1 4.21Å; I314-I316 HydrophobicContact CG2-CG2 3.96Å; I314-G372 CarbonylContact O-C 3.6Å; I314-I373 HydrophobicContact CB-CB 4.38Å; I314-I373 PolarHBondContact N-O 3.35Å; I314-I373 PolarHBondContact O-N 2.95Å; I314-V375 HydrophobicContact CD1-CG2 4.24Å; I314-Y404 HydrophobicContact CD1-CE1 4.27Å; I314-L407 HydrophobicContact CD1-CD1 4.06Å; I314-I420 HydrophobicContact CG2-CB 4.46Å; I314-I420 HydrophobicContact CG2-CD1 4.01Å; I314-I420 HydrophobicContact CG2-CG1 3.79Å; I314-I420 HydrophobicContact CG2-CG2 4.09Å; I314-S422 CarbonylContact C-O 3.58Å; I314-S422 WeakPolarHBondContact CA-O 3.07Å
315G98.5Very high96.1Very high0 Ų026.3 Ų26.30%013%0.131CC..EExtended strand (participates in β ladder)trans-99.6126.2167.300000109.8V421 S422G315-V421 WeakPolarHBondContact O-CG2 3.29Å; G315-V421 PolarHBondContact O-N 3.31Å; G315-S422 PolarHBondContact N-O 2.86Å; G315-S422 PolarHBondContact O-N 3.49Å; G315-S422 VanDerWaalsContact O-N 3.14Å
316I98.5Very high96.4Very high1 Ų126.4 Ų26.41%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-114.2151.8177.461.2170.7000111.8I314 I318 V320 K370 T371 I373 F413 I416 H419 I420I314-I316 HydrophobicContact CG2-CG2 3.96Å; I316-I318 VanDerWaalsContact C-N 3.29Å; I316-I318 HydrophobicContact CD1-CD1 4.27Å; I316-I318 HydrophobicContact CD1-CG1 3.72Å; I316-I318 HydrophobicContact CG1-CG1 4.24Å; I316-I318 PolarHBondContact O-N 2.8Å; I316-V320 HydrophobicContact CD1-CG1 3.99Å; I316-V320 HydrophobicContact CD1-CG2 4.42Å; I316-K370 VanDerWaalsContact O-CB 3.28Å; I316-K370 WeakPolarHBondContact O-CB 3.34Å; I316-T371 VanDerWaalsContact CG1-O 3.3Å; I316-T371 WeakPolarHBondContact CG1-O 3.45Å; I316-T371 PolarHBondContact N-O 3.04Å; I316-T371 PolarHBondContact O-N 3.33Å; I316-T371 VanDerWaalsContact O-N 3.17Å; I316-I373 HydrophobicContact CD1-CD1 3.76Å; I316-I373 HydrophobicContact CG1-CD1 4.19Å; I316-I373 HydrophobicContact CG2-CD1 4.34Å; I316-F413 HydrophobicContact CD1-CE1 4.18Å; I316-I416 HydrophobicContact CG2-CD1 4.39Å; I316-I416 HydrophobicContact CG2-CG1 3.92Å; I316-H419 CarbonylContact C-O 3.48Å; I316-H419 WeakPolarHBondContact CA-O 3.48Å; I316-H419 HydrophobicContact CB-CB 4.06Å; I316-H419 HydrophobicContact CG2-CB 4.27Å; I316-I420 HydrophobicContact CG2-CG1 4.38Å
317D97.9Very high96.7Very high72 Ų7226.4 Ų26.439%0.38513%0.132SC..SBendtrans-87.614.1-174.870.2-7.5000115.8H419 V421D317-H419 PolarHBondContact N-O 3.38Å; D317-H419 WeakPolarHBondContact OD1-CA 3.29Å; D317-H419 WeakPolarHBondContact OD1-CB 3.47Å; D317-H419 IonicContact OD1-CE1 3.62Å; D317-H419 IonicContact OD1-CG 2.73Å; D317-H419 IonicContact OD1-ND1 2.64Å; D317-H419 PolarHBondContact OD1-ND1 3Å; D317-V421 HydrophobicContact CB-CG1 3.81Å; D317-V421 HydrophobicContact CB-CG2 4.42Å
318I97.6Very high96.9Very high51 Ų5126.3 Ų26.326%0.26213%0.131SC..SBendtrans-122.9149175.456.8170.1000111.3I316 V320 G369 K370 T371 H419I316-I318 VanDerWaalsContact C-N 3.29Å; I316-I318 HydrophobicContact CD1-CD1 4.27Å; I316-I318 HydrophobicContact CD1-CG1 3.72Å; I316-I318 HydrophobicContact CG1-CG1 4.24Å; I316-I318 PolarHBondContact O-N 2.8Å; I318-V320 HydrophobicContact CD1-CG1 3.79Å; I318-V320 HydrophobicContact CG1-CG1 3.94Å; I318-G369 CarbonylContact C-O 3.22Å; I318-G369 WeakPolarHBondContact CA-O 3.39Å; I318-K370 CarbonylContact O-C 3.2Å; I318-T371 WeakPolarHBondContact O-CB 3.29Å; I318-T371 PolarHBondContact O-N 2.97Å; I318-T371 VanDerWaalsContact O-N 3.12Å; I318-T371 PolarHBondContact O-OG1 2.76Å; I318-H419 HydrophobicContact CG1-CB 4.4Å; I318-H419 WeakPolarHBondContact CG2-ND1 3.47Å
319D97.5Very high96.9Very high65 Ų6526.3 Ų26.335%0.34813%0.131SC..  trans-87.5116170.6-172.8-11.5000109T321 K363 G369 T371D319-T321 VanDerWaalsContact OD1-CB 3.25Å; D319-T321 WeakPolarHBondContact OD1-CB 3.41Å; D319-T321 VanDerWaalsContact OD1-CG2 3.25Å; D319-T321 WeakPolarHBondContact OD1-CG2 3.33Å; D319-T321 PolarHBondContact OD1-N 3.19Å; D319-T321 PolarHBondContact OD1-OG1 3.26Å; D319-K363 IonicContact OD2-NZ 3.8Å; D319-G369 PolarHBondContact N-O 3.31Å; D319-T371 WeakPolarHBondContact CA-OG1 3.05Å
320V97.2Very high96.9Very high1 Ų126.3 Ų26.31%0.00613%0.131CC..  trans-111.38.3178.3-56.10000112.4I316 I318 D322 Q323 V324 T371 V412 F413I316-V320 HydrophobicContact CD1-CG1 3.99Å; I316-V320 HydrophobicContact CD1-CG2 4.42Å; I318-V320 HydrophobicContact CD1-CG1 3.79Å; I318-V320 HydrophobicContact CG1-CG1 3.94Å; V320-D322 PolarHBondContact O-N 2.93Å; V320-D322 VanDerWaalsContact O-N 3.08Å; V320-Q323 PolarHBondContact O-N 2.77Å; V320-V324 HydrophobicContact CG2-CG2 3.99Å; V320-V324 PolarHBondContact O-N 3.37Å; V320-T371 HydrophobicContact CG2-CG2 3.71Å; V320-T371 PolarHBondContact N-OG1 3.31Å; V320-V412 HydrophobicContact CB-CG1 4.2Å; V320-V412 HydrophobicContact CB-CG2 3.87Å; V320-V412 HydrophobicContact CG1-CG1 4.31Å; V320-V412 HydrophobicContact CG1-CG2 3.42Å; V320-V412 VanDerWaalsContact CG1-CG2 3.42Å; V320-F413 HydrophobicContact CB-CE1 4.48Å; V320-F413 HydrophobicContact CG1-CE1 4.34Å; V320-F413 HydrophobicContact CG2-CE1 3.86Å; V320-F413 HydrophobicContact CG2-CZ 4.14Å
321T96.2Very high96.7Very high12 Ų1226.4 Ų26.47%0.07413%0.132CC..THydrogen-bonded Turntrans-63.8-20.7-165.955.10000114.6D319 A359 V360D319-T321 VanDerWaalsContact OD1-CB 3.25Å; D319-T321 WeakPolarHBondContact OD1-CB 3.41Å; D319-T321 VanDerWaalsContact OD1-CG2 3.25Å; D319-T321 WeakPolarHBondContact OD1-CG2 3.33Å; D319-T321 PolarHBondContact OD1-N 3.19Å; D319-T321 PolarHBondContact OD1-OG1 3.26Å; T321-A359 HydrophobicContact CG2-CB 3.69Å; T321-V360 HydrophobicContact CG2-CG2 4.25Å
322D95.9Very high96.5Very high147 Ų14726.7 Ų26.779%0.78613%0.133SC*.THydrogen-bonded Turntrans-88-11.1175-67.8-35.9000113.6V320V320-D322 PolarHBondContact O-N 2.93Å; V320-D322 VanDerWaalsContact O-N 3.08Å
323Q95.6Very high96.1Very high117 Ų11732.9 Ų32.955%0.54717%0.167SC..THydrogen-bonded Turntrans-106.4-16.7-172.4-64.7170.6-73.200113.6V320 V412V320-Q323 PolarHBondContact O-N 2.77Å; Q323-V412 HydrophobicContact CB-CB 4.25Å; Q323-V412 HydrophobicContact CB-CG1 4.4Å; Q323-V412 HydrophobicContact CB-CG2 4.26Å
324V96.3Very high95.7Very high1 Ų137.5 Ų37.51%0.00619%0.192CC..SBendtrans-126.9167.5-178.8-60.70000111.9V320 V357 V360 I410 V412 F413V320-V324 HydrophobicContact CG2-CG2 3.99Å; V320-V324 PolarHBondContact O-N 3.37Å; V324-V357 HydrophobicContact CG2-CB 4.15Å; V324-V357 HydrophobicContact CG2-CG1 4Å; V324-V357 HydrophobicContact CG2-CG2 4.01Å; V324-V360 HydrophobicContact CG2-CG2 4.1Å; V324-I410 HydrophobicContact CG1-CG2 3.84Å; V324-V412 HydrophobicContact CG1-CG1 3.46Å; V324-V412 VanDerWaalsContact CG1-CG1 3.46Å; V324-F413 HydrophobicContact CG1-CE2 4.14Å; V324-F413 HydrophobicContact CG1-CZ 4.02Å
325R95.6Very high95.1Very high73 Ų7338.2 Ų38.228%0.27520%0.195SC..  trans-94.1165.6169.9-60.8-56.1176.8-136.61.7111.2D87 H327 N328D87-R325 HydrophobicContact CB-CB 4.45Å; D87-R325 HydrophobicContact CB-CG 4.06Å; D87-R325 WeakPolarHBondContact OD1-CG 3.34Å; D87-R325 VanDerWaalsContact OD2-CG 3.31Å; D87-R325 WeakPolarHBondContact OD2-CG 3.45Å; R325-H327 VanDerWaalsContact C-N 3.29Å; R325-H327 PolarHBondContact O-N 2.95Å; R325-N328 PolarHBondContact N-OD1 3.5Å; R325-N328 PolarHBondContact O-ND2 3.18Å
326L97.3Very high94.4Very high9 Ų944.2 Ų44.25%0.04722%0.217CC..SBendtrans-58.2-45173.9179.868.8000111L82 F216 Y356 V357 V360 A361L82-L326 HydrophobicContact CD1-CD2 3.46Å; L82-L326 VanDerWaalsContact CD1-CD2 3.46Å; L82-L326 HydrophobicContact CD2-CD2 4.01Å; L82-L326 HydrophobicContact CG-CD2 4.37Å; F216-L326 HydrophobicContact CB-CD2 4.41Å; F216-L326 HydrophobicContact CD2-CD1 4.34Å; F216-L326 HydrophobicContact CD2-CD2 3.77Å; F216-L326 HydrophobicContact CE2-CD1 4.31Å; F216-L326 HydrophobicContact CG-CD2 4.45Å; L326-Y356 HydrophobicContact CD1-CD2 4.04Å; L326-Y356 HydrophobicContact CD1-CE2 3.41Å; L326-Y356 VanDerWaalsContact CD1-CE2 3.41Å; L326-Y356 HydrophobicContact CD2-CE2 4.16Å; L326-Y356 HydrophobicContact CG-CD2 4.08Å; L326-Y356 HydrophobicContact CG-CE2 3.62Å; L326-Y356 CarbonylContact O-C 3.51Å; L326-Y356 WeakPolarHBondContact O-CA 3.12Å; L326-Y356 VanDerWaalsContact O-CD2 3.24Å; L326-Y356 WeakPolarHBondContact O-CD2 3.46Å; L326-V357 VanDerWaalsContact CD1-O 3.31Å; L326-V357 WeakPolarHBondContact CD1-O 3.01Å; L326-V357 PolarHBondContact O-N 3.2Å; L326-V360 HydrophobicContact CB-CB 4.36Å; L326-V360 HydrophobicContact CB-CG1 4.33Å; L326-V360 HydrophobicContact CD1-CB 4.47Å; L326-A361 HydrophobicContact CD1-CB 3.92Å; L326-A361 HydrophobicContact CD2-CB 4.11Å
327H96.4Very high94Very high2 Ų244.8 Ų44.81%0.00922%0.223CC..EExtended strand (participates in β ladder)trans-118128.6-179.4-59.7-59.8000109.1T54 I85 Y86 D87 R325 Y354 Y356T54-H327 PolarHBondContact O-CE1 2.82Å; I85-H327 WeakPolarHBondContact O-CB 3.18Å; I85-H327 PolarHBondContact O-CD2 2.94Å; Y86-H327 CarbonylContact C-O 3.53Å; Y86-H327 WeakPolarHBondContact CA-O 3.26Å; Y86-H327 VanDerWaalsContact CB-O 3.23Å; Y86-H327 WeakPolarHBondContact CB-O 3.32Å; D87-H327 PolarHBondContact N-O 2.86Å; R325-H327 VanDerWaalsContact C-N 3.29Å; R325-H327 PolarHBondContact O-N 2.95Å; H327-Y354 HydrophobicContact CB-CE2 4.14Å; H327-Y354 PolarHBondContact CE1-OH 3.01Å; H327-Y354 AromaticContact ND1-CE2 3.97Å; H327-Y354 AromaticContact ND1-CZ 3.76Å; H327-Y354 PolarHBondContact ND1-OH 3.4Å; H327-Y356 AromaticContact CE1-CD2 3.55Å; H327-Y356 AromaticContact CE1-CE2 3.47Å; H327-Y356 VanDerWaalsContact CE1-CE2 3.47Å; H327-Y356 WeakPolarHBondContact CE1-CE2 3.46Å; H327-Y356 AromaticContact ND1-CD2 3.44Å; H327-Y356 WeakPolarHBondContact ND1-CD2 3.35Å; H327-Y356 AromaticContact ND1-CE2 3.85Å
328N96.4Very high93.7Very high0 Ų041.5 Ų41.50%021%0.206CC..EExtended strand (participates in β ladder)trans-137.6145.8179.7-42.7-94.6000109.5D87 Y89 R325 Y354 V355 I410D87-N328 CarbonylContact O-C 3.48Å; D87-N328 VanDerWaalsContact O-CA 3.28Å; D87-N328 WeakPolarHBondContact O-CA 3.33Å; Y89-N328 HydrophobicContact CE2-CB 4.1Å; R325-N328 PolarHBondContact N-OD1 3.5Å; R325-N328 PolarHBondContact O-ND2 3.18Å; N328-Y354 WeakPolarHBondContact O-CD2 3.42Å; N328-V355 HydrophobicContact CB-CB 4.22Å; N328-V355 PolarHBondContact N-O 3.48Å; N328-V355 PolarHBondContact ND2-O 2.98Å; N328-V355 PolarHBondContact O-N 3.38Å; N328-I410 HydrophobicContact CB-CD1 4.2Å
329V95Very high93.2Very high0 Ų039.2 Ų39.20%019%0.194CC..EExtended strand (participates in β ladder)trans-130.2125.6-179.7-178.90000108.1D87 V88 Y89 F186 F331 Y354D87-V329 PolarHBondContact O-N 3.15Å; V88-V329 CarbonylContact C-O 3.54Å; V88-V329 WeakPolarHBondContact CA-O 3.44Å; V88-V329 HydrophobicContact CG2-CB 4.36Å; Y89-V329 PolarHBondContact N-O 3.36Å; F186-V329 HydrophobicContact CD1-CG1 4.08Å; F186-V329 HydrophobicContact CD1-CG2 4.06Å; F186-V329 HydrophobicContact CD2-CG1 3.68Å; F186-V329 HydrophobicContact CE1-CB 4.12Å; F186-V329 HydrophobicContact CE1-CG1 3.75Å; F186-V329 HydrophobicContact CE1-CG2 3.25Å; F186-V329 HydrophobicContact CE2-CB 4.41Å; F186-V329 HydrophobicContact CE2-CG1 3.31Å; F186-V329 HydrophobicContact CE2-CG2 4.24Å; F186-V329 HydrophobicContact CG-CG1 4.06Å; F186-V329 HydrophobicContact CZ-CB 4Å; F186-V329 HydrophobicContact CZ-CG1 3.36Å; F186-V329 HydrophobicContact CZ-CG2 3.37Å; V329-F331 HydrophobicContact CG1-CD2 4.2Å; V329-F331 HydrophobicContact CG1-CE2 4.1Å; V329-Y354 HydrophobicContact CG2-CD2 4.39Å
330I95.4Very high92.8Very high1 Ų139.7 Ų39.71%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-111.3112.8174.6-57152.6000106.6Y89 S352 I353 V355 K406 L407 T409 I410Y89-I330 HydrophobicContact CD2-CG1 4.3Å; Y89-I330 HydrophobicContact CG-CG1 4.42Å; I330-S352 CarbonylContact O-C 3.55Å; I330-S352 VanDerWaalsContact O-CA 3.25Å; I330-S352 WeakPolarHBondContact O-CA 3.23Å; I330-I353 HydrophobicContact CB-CG1 3.93Å; I330-I353 HydrophobicContact CD1-CD1 3.79Å; I330-I353 HydrophobicContact CD1-CG1 3.91Å; I330-I353 HydrophobicContact CG1-CG1 4.45Å; I330-I353 PolarHBondContact N-O 3.5Å; I330-I353 PolarHBondContact O-N 2.99Å; I330-V355 HydrophobicContact CD1-CG2 3.93Å; I330-K406 WeakPolarHBondContact CD1-O 3.45Å; I330-L407 HydrophobicContact CD1-CD2 4.44Å; I330-T409 HydrophobicContact CG2-CG2 4.16Å; I330-I410 HydrophobicContact CD1-CD1 3.98Å; I330-I410 HydrophobicContact CD1-CG1 4.09Å; I330-I410 HydrophobicContact CG1-CD1 4.34Å; I330-I410 HydrophobicContact CG1-CG1 4.33Å
331F92.5Very high92.6Very high2 Ų241.9 Ų41.91%0.00920%0.204CC..  trans-75.3152.9179.8-85.6-84.7000111.5V88 Y89 F90 K182 F186 V329 F335 K406V88-F331 HydrophobicContact CG1-CD2 3.41Å; V88-F331 VanDerWaalsContact CG1-CD2 3.41Å; V88-F331 HydrophobicContact CG1-CE2 3.33Å; Y89-F331 PolarHBondContact O-N 3.2Å; F90-F331 HydrophobicContact CD1-CB 4.24Å; F90-F331 HydrophobicContact CD1-CD2 4.1Å; F90-F331 HydrophobicContact CD1-CG 4.32Å; F90-F331 AromaticContact CE1-CD2 3.75Å; F90-F331 HydrophobicContact CE1-CD2 3.75Å; F90-F331 HydrophobicContact CE1-CE2 4.04Å; F90-F331 HydrophobicContact CE1-CG 4.18Å; F90-F331 HydrophobicContact CZ-CD2 4.25Å; F90-F331 HydrophobicContact CZ-CE2 4.23Å; K182-F331 HydrophobicContact CB-CE1 4.26Å; K182-F331 HydrophobicContact CB-CZ 4.09Å; K182-F331 WeakPolarHBondContact O-CZ 3.45Å; F186-F331 HydrophobicContact CB-CE1 3.75Å; F186-F331 HydrophobicContact CB-CE2 4.35Å; F186-F331 HydrophobicContact CB-CZ 3.35Å; F186-F331 HydrophobicContact CD2-CE1 4.2Å; F186-F331 HydrophobicContact CD2-CZ 4.17Å; F186-F331 HydrophobicContact CG-CE1 4.3Å; F186-F331 AromaticContact CG-CZ 3.89Å; F186-F331 HydrophobicContact CG-CZ 3.89Å; V329-F331 HydrophobicContact CG1-CD2 4.2Å; V329-F331 HydrophobicContact CG1-CE2 4.1Å; F331-F335 HydrophobicContact CD1-CB 4.33Å; F331-F335 AromaticContact CD1-CD2 3.56Å; F331-F335 HydrophobicContact CD1-CD2 3.56Å; F331-F335 AromaticContact CD1-CE2 3.99Å; F331-F335 HydrophobicContact CD1-CE2 3.99Å; F331-F335 AromaticContact CD1-CG 3.96Å; F331-F335 HydrophobicContact CD1-CG 3.96Å; F331-F335 HydrophobicContact CE1-CD1 4.35Å; F331-F335 AromaticContact CE1-CD2 3.72Å; F331-F335 HydrophobicContact CE1-CD2 3.72Å; F331-F335 HydrophobicContact CE1-CE1 4.39Å; F331-F335 AromaticContact CE1-CE2 3.77Å; F331-F335 HydrophobicContact CE1-CE2 3.77Å; F331-F335 HydrophobicContact CE1-CG 4.03Å; F331-F335 HydrophobicContact CE1-CZ 4.12Å; F331-K406 PolarHBondContact O-NZ 3.41Å
332S92.4Very high92.4Very high5 Ų541.5 Ų41.54%0.03520%0.202CC..  trans-74.8153160.358.40000111D334 F335 N338 D350 S352S332-D334 VanDerWaalsContact C-N 3.3Å; S332-D334 PolarHBondContact O-N 2.95Å; S332-D334 VanDerWaalsContact OG-C 3.27Å; S332-D334 PolarHBondContact OG-O 2.92Å; S332-D334 VanDerWaalsContact OG-O 3.05Å; S332-F335 WeakPolarHBondContact OG-CA 3.26Å; S332-F335 PolarHBondContact OG-N 3.49Å; S332-N338 VanDerWaalsContact OG-CB 3.31Å; S332-N338 WeakPolarHBondContact OG-CB 3.38Å; S332-D350 VanDerWaalsContact CA-OD2 3.31Å; S332-D350 WeakPolarHBondContact CA-OD2 3.28Å; S332-D350 WeakPolarHBondContact CB-O 3.47Å; S332-D350 VanDerWaalsContact CB-OD2 3.28Å; S332-D350 WeakPolarHBondContact CB-OD2 3.3Å; S332-S352 PolarHBondContact N-OG 3.1Å; S332-S352 PolarHBondContact OG-OG 3.41Å
333D90.2Very high92Very high131 Ų13136 Ų3670%0.70117%0.171SC*.SBendtrans-60.6-45.9175.6-66.8-16.7000109.4D350D333-D350 PolarHBondContact N-OD2 3.49Å
334D89.5Confident91.9Very high98 Ų9835.5 Ų35.552%0.52417%0.169SC..SBendtrans-103.184.5168.7-174.57.9000111.2S332 R336 G337 N338S332-D334 VanDerWaalsContact C-N 3.3Å; S332-D334 PolarHBondContact O-N 2.95Å; S332-D334 VanDerWaalsContact OG-C 3.27Å; S332-D334 PolarHBondContact OG-O 2.92Å; S332-D334 VanDerWaalsContact OG-O 3.05Å; D334-R336 VanDerWaalsContact C-N 3.29Å; D334-R336 PolarHBondContact O-N 3.44Å; D334-R336 PolarHBondContact OD1-N 3.32Å; D334-G337 VanDerWaalsContact CG-N 3.27Å; D334-G337 PolarHBondContact OD1-N 2.93Å; D334-G337 WeakPolarHBondContact OD2-CA 3.49Å; D334-G337 PolarHBondContact OD2-N 2.92Å; D334-N338 WeakPolarHBondContact O-CB 3.4Å; D334-N338 PolarHBondContact O-N 2.97Å
335F86Confident91.7Very high14 Ų1436.2 Ų36.26%0.06118%0.176CC..Hα-helixtrans-59.1-39.5175.1-175.4-117.7000112.6A185 L189 P195 F331 S332 N338 I339 S352A185-F335 HydrophobicContact CB-CE1 4.47Å; L189-F335 HydrophobicContact CD1-CE2 3.87Å; L189-F335 HydrophobicContact CD1-CZ 3.99Å; P195-F335 HydrophobicContact CG-CE1 4.48Å; F331-F335 HydrophobicContact CD1-CB 4.33Å; F331-F335 AromaticContact CD1-CD2 3.56Å; F331-F335 HydrophobicContact CD1-CD2 3.56Å; F331-F335 AromaticContact CD1-CE2 3.99Å; F331-F335 HydrophobicContact CD1-CE2 3.99Å; F331-F335 AromaticContact CD1-CG 3.96Å; F331-F335 HydrophobicContact CD1-CG 3.96Å; F331-F335 HydrophobicContact CE1-CD1 4.35Å; F331-F335 AromaticContact CE1-CD2 3.72Å; F331-F335 HydrophobicContact CE1-CD2 3.72Å; F331-F335 HydrophobicContact CE1-CE1 4.39Å; F331-F335 AromaticContact CE1-CE2 3.77Å; F331-F335 HydrophobicContact CE1-CE2 3.77Å; F331-F335 HydrophobicContact CE1-CG 4.03Å; F331-F335 HydrophobicContact CE1-CZ 4.12Å; S332-F335 WeakPolarHBondContact OG-CA 3.26Å; S332-F335 PolarHBondContact OG-N 3.49Å; F335-N338 PolarHBondContact O-N 3.38Å; F335-I339 HydrophobicContact CE1-CG1 4.28Å; F335-I339 HydrophobicContact CE2-CD1 4.03Å; F335-I339 HydrophobicContact CE2-CG1 4.23Å; F335-I339 HydrophobicContact CZ-CD1 3.94Å; F335-I339 HydrophobicContact CZ-CG1 4.06Å; F335-I339 WeakPolarHBondContact O-CG1 3.26Å; F335-I339 PolarHBondContact O-N 3.44Å; F335-I339 VanDerWaalsContact O-N 3.15Å; F335-S352 WeakPolarHBondContact CD2-OG 3.35Å
336R83.6Confident91.7Very high127 Ų12738.1 Ų38.148%0.47918%0.183SC..Hα-helixtrans-69-46.1-177.7-79.8180151.1158.4-1.9110.9D168 E172 D334 N338 I339 E340D168-R336 IonicContact OD2-NH2 3.97Å; E172-R336 IonicContact OE1-NH2 2.68Å; D334-R336 VanDerWaalsContact C-N 3.29Å; D334-R336 PolarHBondContact O-N 3.44Å; D334-R336 PolarHBondContact OD1-N 3.32Å; R336-N338 VanDerWaalsContact C-N 3.34Å; R336-N338 PolarHBondContact O-N 3.46Å; R336-I339 PolarHBondContact O-N 3.5Å; R336-E340 WeakPolarHBondContact O-CG 3.46Å; R336-E340 PolarHBondContact O-N 3.22Å
337G89.5Confident91.5Very high13 Ų1339.4 Ų39.413%0.13419%0.19CC..Hα-helixtrans-58.8-44.1173.900000112.2D334 I339 E340 E341D334-G337 VanDerWaalsContact CG-N 3.27Å; D334-G337 PolarHBondContact OD1-N 2.93Å; D334-G337 WeakPolarHBondContact OD2-CA 3.49Å; D334-G337 PolarHBondContact OD2-N 2.92Å; G337-I339 VanDerWaalsContact C-N 3.35Å; G337-I339 PolarHBondContact O-N 3.19Å; G337-E340 PolarHBondContact O-N 3.02Å; G337-E341 VanDerWaalsContact O-CG 3.28Å; G337-E341 WeakPolarHBondContact O-CG 3.44Å; G337-E341 PolarHBondContact O-N 3.34Å
338N90.8Very high91.3Very high2 Ų240 Ų401%0.01119%0.194CC..Hα-helixtrans-58.2-43.8177.6174.2-135000112.8S332 D334 F335 R336 I342 S348 S352S332-N338 VanDerWaalsContact OG-CB 3.31Å; S332-N338 WeakPolarHBondContact OG-CB 3.38Å; D334-N338 WeakPolarHBondContact O-CB 3.4Å; D334-N338 PolarHBondContact O-N 2.97Å; F335-N338 PolarHBondContact O-N 3.38Å; R336-N338 VanDerWaalsContact C-N 3.34Å; R336-N338 PolarHBondContact O-N 3.46Å; N338-I342 WeakPolarHBondContact O-CD1 3.39Å; N338-I342 WeakPolarHBondContact O-CG1 3.45Å; N338-I342 PolarHBondContact O-N 2.95Å; N338-S348 VanDerWaalsContact ND2-CB 3.26Å; N338-S348 WeakPolarHBondContact ND2-CB 3.25Å; N338-S348 PolarHBondContact ND2-OG 2.9Å; N338-S352 WeakPolarHBondContact OD1-CB 3.47Å; N338-S352 PolarHBondContact OD1-N 3.05Å; N338-S352 PolarHBondContact OD1-OG 3.1Å
339I87.7Confident91.1Very high4 Ų447.6 Ų47.62%0.02122%0.224CC..Hα-helixtrans-62.4-48.7174.6-62.8-59.6000111.3L189 D194 F335 R336 G337 E341 I342 F343L189-I339 HydrophobicContact CD1-CD1 3.87Å; L189-I339 HydrophobicContact CD2-CD1 3.37Å; L189-I339 HydrophobicContact CG-CD1 3.91Å; D194-I339 HydrophobicContact CB-CG2 3.74Å; D194-I339 WeakPolarHBondContact OD1-CG2 3.32Å; F335-I339 HydrophobicContact CE1-CG1 4.28Å; F335-I339 HydrophobicContact CE2-CD1 4.03Å; F335-I339 HydrophobicContact CE2-CG1 4.23Å; F335-I339 HydrophobicContact CZ-CD1 3.94Å; F335-I339 HydrophobicContact CZ-CG1 4.06Å; F335-I339 WeakPolarHBondContact O-CG1 3.26Å; F335-I339 PolarHBondContact O-N 3.44Å; F335-I339 VanDerWaalsContact O-N 3.15Å; R336-I339 PolarHBondContact O-N 3.5Å; G337-I339 VanDerWaalsContact C-N 3.35Å; G337-I339 PolarHBondContact O-N 3.19Å; I339-E341 VanDerWaalsContact C-N 3.31Å; I339-E341 PolarHBondContact O-N 3.09Å; I339-I342 PolarHBondContact O-N 2.95Å; I339-F343 HydrophobicContact CG2-CD2 3.91Å; I339-F343 HydrophobicContact CG2-CE2 3.99Å; I339-F343 VanDerWaalsContact O-CD2 3.31Å; I339-F343 WeakPolarHBondContact O-CD2 2.89Å; I339-F343 PolarHBondContact O-N 3.22Å
340E89.4Confident91.1Very high75 Ų7549.6 Ų49.635%0.3524%0.235SC..Hα-helixtrans-59.9-41.9-177.6-73171.9-169.300111.3K196 R336 G337 I342 F343 E344K196-E340 IonicContact NZ-OE1 2.83Å; K196-E340 PolarHBondContact NZ-OE1 3.41Å; R336-E340 WeakPolarHBondContact O-CG 3.46Å; R336-E340 PolarHBondContact O-N 3.22Å; G337-E340 PolarHBondContact O-N 3.02Å; E340-I342 PolarHBondContact O-N 3.09Å; E340-F343 PolarHBondContact O-N 3.37Å; E340-E344 VanDerWaalsContact O-CB 3.31Å; E340-E344 WeakPolarHBondContact O-CB 3.41Å; E340-E344 VanDerWaalsContact O-CG 3.24Å; E340-E344 WeakPolarHBondContact O-CG 3.36Å; E340-E344 PolarHBondContact O-N 3.46Å
341E92.9Very high91.1Very high46 Ų4649.6 Ų49.622%0.21524%0.235CC..Hα-helixtrans-56.5-45.6175.6-72.3172.9144.100112.8G337 I339 F343 E344 G345 R346 S348G337-E341 VanDerWaalsContact O-CG 3.28Å; G337-E341 WeakPolarHBondContact O-CG 3.44Å; G337-E341 PolarHBondContact O-N 3.34Å; I339-E341 VanDerWaalsContact C-N 3.31Å; I339-E341 PolarHBondContact O-N 3.09Å; E341-F343 PolarHBondContact O-N 3.21Å; E341-E344 CarbonylContact O-C 3.59Å; E341-E344 PolarHBondContact O-N 3.41Å; E341-G345 PolarHBondContact O-N 3.5Å; E341-R346 CarbonylContact C-O 3.35Å; E341-R346 HydrophobicContact CB-CB 4.2Å; E341-R346 PolarHBondContact O-N 3.19Å; E341-S348 WeakPolarHBondContact OE2-CA 3.22Å; E341-S348 WeakPolarHBondContact OE2-CB 3.31Å; E341-S348 PolarHBondContact OE2-OG 3.31Å
342I91.7Very high91.1Very high5 Ų549.6 Ų49.63%0.02624%0.235CC..Hα-helixtrans-59.7-48179.7-67.4158.5000111C307 N338 I339 E340 E344 G345 P378 P380C307-I342 HydrophobicContact CB-CG2 3.66Å; N338-I342 WeakPolarHBondContact O-CD1 3.39Å; N338-I342 WeakPolarHBondContact O-CG1 3.45Å; N338-I342 PolarHBondContact O-N 2.95Å; I339-I342 PolarHBondContact O-N 2.95Å; E340-I342 PolarHBondContact O-N 3.09Å; I342-E344 VanDerWaalsContact C-N 3.29Å; I342-E344 PolarHBondContact O-N 3.05Å; I342-G345 PolarHBondContact O-N 3.43Å; I342-P378 HydrophobicContact CD1-CB 3.79Å; I342-P380 WeakPolarHBondContact O-CB 3.34Å; I342-P380 VanDerWaalsContact O-CG 3.31Å; I342-P380 WeakPolarHBondContact O-CG 3.41Å
343F88.7Confident91.3Very high32 Ų3249.4 Ų49.414%0.1423%0.234CC..Hα-helixtrans-81-9.3-177.1-68.4-77000113.7G192 D194 C307 I339 E340 E341 M446G192-F343 WeakPolarHBondContact O-CZ 3.34Å; D194-F343 HydrophobicContact CB-CD2 3.7Å; D194-F343 HydrophobicContact CB-CE2 3.6Å; D194-F343 HydrophobicContact CB-CG 4.42Å; D194-F343 HydrophobicContact CB-CZ 4.23Å; D194-F343 VanDerWaalsContact N-CE2 3.28Å; D194-F343 VanDerWaalsContact N-CZ 3.27Å; C307-F343 HydrophobicContact CB-CE1 4.41Å; C307-F343 HydrophobicContact CB-CZ 4.31Å; I339-F343 HydrophobicContact CG2-CD2 3.91Å; I339-F343 HydrophobicContact CG2-CE2 3.99Å; I339-F343 VanDerWaalsContact O-CD2 3.31Å; I339-F343 WeakPolarHBondContact O-CD2 2.89Å; I339-F343 PolarHBondContact O-N 3.22Å; E340-F343 PolarHBondContact O-N 3.37Å; E341-F343 PolarHBondContact O-N 3.21Å; F343-M446 HydrophobicContact CD1-CE 4.17Å; F343-M446 HydrophobicContact CE1-CE 3.73Å
344E92Very high91.5Very high106 Ų10643.9 Ų43.950%0.49520%0.203SC..THydrogen-bonded Turntrans-96.94.8169.9-68.7-178.8167.600113.1E340 E341 I342 R346E340-E344 VanDerWaalsContact O-CB 3.31Å; E340-E344 WeakPolarHBondContact O-CB 3.41Å; E340-E344 VanDerWaalsContact O-CG 3.24Å; E340-E344 WeakPolarHBondContact O-CG 3.36Å; E340-E344 PolarHBondContact O-N 3.46Å; E341-E344 CarbonylContact O-C 3.59Å; E341-E344 PolarHBondContact O-N 3.41Å; I342-E344 VanDerWaalsContact C-N 3.29Å; I342-E344 PolarHBondContact O-N 3.05Å; E344-R346 IonicContact OE2-CZ 3.96Å; E344-R346 IonicContact OE2-NH1 3.63Å; E344-R346 PolarHBondContact OE2-NH1 2.92Å; E344-R346 IonicContact OE2-NH2 3.44Å; E344-R346 PolarHBondContact OE2-NH2 3.28Å
345G93.5Very high91.9Very high16 Ų1639.2 Ų39.217%0.16518%0.178CC..THydrogen-bonded Turntrans83.321.7174.600000114.7E341 I342E341-G345 PolarHBondContact O-N 3.5Å; I342-G345 PolarHBondContact O-N 3.43Å
346R94.1Very high92.5Very high112 Ų11238.6 Ų38.642%0.42318%0.175SC..  trans-112.3153.4179.8-61.2-166.7-59.9-79.9-0.8112.1E341 E344 P380E341-R346 CarbonylContact C-O 3.35Å; E341-R346 HydrophobicContact CB-CB 4.2Å; E341-R346 PolarHBondContact O-N 3.19Å; E344-R346 IonicContact OE2-CZ 3.96Å; E344-R346 IonicContact OE2-NH1 3.63Å; E344-R346 PolarHBondContact OE2-NH1 2.92Å; E344-R346 IonicContact OE2-NH2 3.44Å; E344-R346 PolarHBondContact OE2-NH2 3.28Å; R346-P380 WeakPolarHBondContact O-CG 3.33Å
347L94.4Very high93.2Very high37 Ų3732.6 Ų32.619%0.19415%0.153CC..  trans-93.2134.6169.2-63.5174.4000109.5M377 T379 I388 W390 L395 I399L347-M377 HydrophobicContact CD2-CE 4.41Å; L347-T379 HydrophobicContact CD2-CG2 3.81Å; L347-I388 HydrophobicContact CD1-CD1 4.35Å; L347-I388 HydrophobicContact CD1-CG2 4.02Å; L347-I388 HydrophobicContact CD2-CD1 4.1Å; L347-I388 HydrophobicContact CG-CD1 3.84Å; L347-W390 HydrophobicContact CD1-CH2 4.33Å; L347-W390 HydrophobicContact CD2-CH2 3.76Å; L347-W390 HydrophobicContact CD2-CZ2 4.16Å; L347-L395 HydrophobicContact CD1-CD1 3.86Å; L347-L395 HydrophobicContact CD1-CD2 4.32Å; L347-L395 HydrophobicContact CD1-CG 4.49Å; L347-I399 HydrophobicContact CD1-CD1 3.85Å; L347-I399 HydrophobicContact CD1-CG1 4.37Å
348S92Very high93.5Very high13 Ų1332.1 Ų32.19%0.09115%0.147CC..  trans-81.1141.4179.3-1640000111.8N338 E341 D350N338-S348 VanDerWaalsContact ND2-CB 3.26Å; N338-S348 WeakPolarHBondContact ND2-CB 3.25Å; N338-S348 PolarHBondContact ND2-OG 2.9Å; E341-S348 WeakPolarHBondContact OE2-CA 3.22Å; E341-S348 WeakPolarHBondContact OE2-CB 3.31Å; E341-S348 PolarHBondContact OE2-OG 3.31Å; S348-D350 VanDerWaalsContact C-N 3.31Å; S348-D350 PolarHBondContact OG-N 3.41Å; S348-D350 PolarHBondContact OG-O 3.16Å
349Y92.6Very high93.8Very high161 Ų16132.1 Ų32.163%0.63115%0.148SC*.SBendtrans-81.3-14.7170.2-71.7-82.3000113.1Q398 I402 R405Y349-Q398 VanDerWaalsContact CE1-NE2 3.32Å; Y349-I402 HydrophobicContact CD1-CD1 4.29Å; Y349-R405 PolarHBondContact O-NH2 3.17Å
350D94.6Very high94.3Very high42 Ų4234.4 Ų34.423%0.22516%0.162CC..SBendtrans-134.876.7173.3177.937.7000109.1S332 D333 S348 K406S332-D350 VanDerWaalsContact CA-OD2 3.31Å; S332-D350 WeakPolarHBondContact CA-OD2 3.28Å; S332-D350 WeakPolarHBondContact CB-O 3.47Å; S332-D350 VanDerWaalsContact CB-OD2 3.28Å; S332-D350 WeakPolarHBondContact CB-OD2 3.3Å; D333-D350 PolarHBondContact N-OD2 3.49Å; S348-D350 VanDerWaalsContact C-N 3.31Å; S348-D350 PolarHBondContact OG-N 3.41Å; S348-D350 PolarHBondContact OG-O 3.16Å; D350-K406 WeakPolarHBondContact OD1-CD 3.31Å; D350-K406 WeakPolarHBondContact OD1-CE 3.19Å; D350-K406 IonicContact OD1-NZ 3.49Å; D350-K406 PolarHBondContact OD1-NZ 3.13Å
351P94.8Very high94.6Very high1 Ų132.4 Ų32.41%0.00616%0.158CC..  trans-80.5147.7-179.131.7-34000111.7I353 M377 I402 K406P351-I353 HydrophobicContact CB-CG2 4.33Å; P351-I353 HydrophobicContact CG-CG2 4.1Å; P351-M377 HydrophobicContact CB-CG 3.74Å; P351-M377 HydrophobicContact CB-SD 3.92Å; P351-M377 HydrophobicContact CG-CG 3.99Å; P351-M377 HydrophobicContact CG-SD 3.62Å; P351-I402 HydrophobicContact CG-CG2 3.63Å; P351-K406 VanDerWaalsContact O-CE 3.24Å; P351-K406 WeakPolarHBondContact O-CE 3.24Å
352S93.8Very high94.8Very high1 Ų131.2 Ų31.21%0.00715%0.153CC..  trans-71.5131.6158.7-62.50000109.4I330 S332 F335 N338 P378I330-S352 CarbonylContact O-C 3.55Å; I330-S352 VanDerWaalsContact O-CA 3.25Å; I330-S352 WeakPolarHBondContact O-CA 3.23Å; S332-S352 PolarHBondContact N-OG 3.1Å; S332-S352 PolarHBondContact OG-OG 3.41Å; F335-S352 WeakPolarHBondContact CD2-OG 3.35Å; N338-S352 WeakPolarHBondContact OD1-CB 3.47Å; N338-S352 PolarHBondContact OD1-N 3.05Å; N338-S352 PolarHBondContact OD1-OG 3.1Å; S352-P378 WeakPolarHBondContact O-CD 3.39Å
353I95.3Very high95Very high1 Ų137.4 Ų37.41%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-125.8148.4-178.963166.8000111.8I330 P351 V355 V375 L376 M377 K406 L407I330-I353 HydrophobicContact CB-CG1 3.93Å; I330-I353 HydrophobicContact CD1-CD1 3.79Å; I330-I353 HydrophobicContact CD1-CG1 3.91Å; I330-I353 HydrophobicContact CG1-CG1 4.45Å; I330-I353 PolarHBondContact N-O 3.5Å; I330-I353 PolarHBondContact O-N 2.99Å; P351-I353 HydrophobicContact CB-CG2 4.33Å; P351-I353 HydrophobicContact CG-CG2 4.1Å; I353-V355 HydrophobicContact CD1-CG2 4.12Å; I353-V355 HydrophobicContact CG1-CG2 4.4Å; I353-V375 HydrophobicContact CB-CG1 4.22Å; I353-V375 HydrophobicContact CD1-CG1 3.95Å; I353-L376 WeakPolarHBondContact CA-O 3.38Å; I353-M377 HydrophobicContact CG2-CB 4.05Å; I353-M377 HydrophobicContact CG2-CG 4.12Å; I353-K406 HydrophobicContact CD1-CB 3.51Å; I353-K406 HydrophobicContact CD1-CG 4.47Å; I353-K406 HydrophobicContact CG1-CB 4.06Å; I353-L407 HydrophobicContact CD1-CD2 4.16Å; I353-L407 HydrophobicContact CD1-CG 4.32Å
354Y95.6Very high95.4Very high15 Ų1540 Ų406%0.05920%0.202CC..EExtended strand (participates in β ladder)trans-106.6130.4173.4166.3-109.8000109.9T54 I55 H327 N328 V329 Y356 Y374 V375 L376T54-Y354 WeakPolarHBondContact CB-OH 3.27Å; T54-Y354 HydrophobicContact CG2-CE1 4.45Å; T54-Y354 WeakPolarHBondContact OG1-CE1 3.25Å; T54-Y354 PolarHBondContact OG1-OH 3.27Å; I55-Y354 HydrophobicContact CD1-CE2 4.38Å; H327-Y354 HydrophobicContact CB-CE2 4.14Å; H327-Y354 PolarHBondContact CE1-OH 3.01Å; H327-Y354 AromaticContact ND1-CE2 3.97Å; H327-Y354 AromaticContact ND1-CZ 3.76Å; H327-Y354 PolarHBondContact ND1-OH 3.4Å; N328-Y354 WeakPolarHBondContact O-CD2 3.42Å; V329-Y354 HydrophobicContact CG2-CD2 4.39Å; Y354-Y356 WeakPolarHBondContact OH-CB 3.16Å; Y354-Y374 HydrophobicContact CD1-CD1 4.26Å; Y354-Y374 AromaticContact CD1-CE1 3.89Å; Y354-Y374 HydrophobicContact CD1-CE1 3.89Å; Y354-Y374 HydrophobicContact CE1-CD1 4.08Å; Y354-Y374 AromaticContact CE1-CE1 3.86Å; Y354-Y374 HydrophobicContact CE1-CE1 3.86Å; Y354-V375 CarbonylContact O-C 3.57Å; Y354-V375 WeakPolarHBondContact O-CA 3.3Å; Y354-L376 HydrophobicContact CD1-CB 4.11Å; Y354-L376 PolarHBondContact N-O 3.02Å; Y354-L376 PolarHBondContact O-N 3.31Å
355V97.3Very high95.6Very high0 Ų035.3 Ų35.30%018%0.18CC..EExtended strand (participates in β ladder)trans-122.4121.1-176.2-173.70000109.6N328 I330 I353 V357 I373 Y374 V375 L407 F413N328-V355 HydrophobicContact CB-CB 4.22Å; N328-V355 PolarHBondContact N-O 3.48Å; N328-V355 PolarHBondContact ND2-O 2.98Å; N328-V355 PolarHBondContact O-N 3.38Å; I330-V355 HydrophobicContact CD1-CG2 3.93Å; I353-V355 HydrophobicContact CD1-CG2 4.12Å; I353-V355 HydrophobicContact CG1-CG2 4.4Å; V355-V357 HydrophobicContact CG1-CG2 4.29Å; V355-I373 HydrophobicContact CG1-CG2 3.57Å; V355-Y374 CarbonylContact C-O 3.56Å; V355-Y374 WeakPolarHBondContact CA-O 3.3Å; V355-V375 HydrophobicContact CG2-CG1 4.47Å; V355-V375 HydrophobicContact CG2-CG2 4.5Å; V355-L407 HydrophobicContact CB-CD2 4.47Å; V355-L407 HydrophobicContact CG1-CD2 4.07Å; V355-L407 HydrophobicContact CG2-CD2 3.52Å; V355-F413 HydrophobicContact CG1-CE2 4.37Å
356Y97.5Very high95.8Very high2 Ų235.1 Ų35.11%0.00818%0.177CC..EExtended strand (participates in β ladder)trans-116.8126.6-177.8174.8-118.8000111.1T54 F216 L326 H327 Y354 P358 Y374T54-Y356 HydrophobicContact CG2-CD1 3.53Å; T54-Y356 HydrophobicContact CG2-CE1 3.82Å; T54-Y356 HydrophobicContact CG2-CG 3.94Å; F216-Y356 WeakPolarHBondContact CE2-OH 3.45Å; L326-Y356 HydrophobicContact CD1-CD2 4.04Å; L326-Y356 HydrophobicContact CD1-CE2 3.41Å; L326-Y356 VanDerWaalsContact CD1-CE2 3.41Å; L326-Y356 HydrophobicContact CD2-CE2 4.16Å; L326-Y356 HydrophobicContact CG-CD2 4.08Å; L326-Y356 HydrophobicContact CG-CE2 3.62Å; L326-Y356 CarbonylContact O-C 3.51Å; L326-Y356 WeakPolarHBondContact O-CA 3.12Å; L326-Y356 VanDerWaalsContact O-CD2 3.24Å; L326-Y356 WeakPolarHBondContact O-CD2 3.46Å; H327-Y356 AromaticContact CE1-CD2 3.55Å; H327-Y356 AromaticContact CE1-CE2 3.47Å; H327-Y356 VanDerWaalsContact CE1-CE2 3.47Å; H327-Y356 WeakPolarHBondContact CE1-CE2 3.46Å; H327-Y356 AromaticContact ND1-CD2 3.44Å; H327-Y356 WeakPolarHBondContact ND1-CD2 3.35Å; H327-Y356 AromaticContact ND1-CE2 3.85Å; Y354-Y356 WeakPolarHBondContact OH-CB 3.16Å; Y356-P358 HydrophobicContact CD1-CB 4.47Å; Y356-P358 HydrophobicContact CD1-CG 4.21Å; Y356-P358 HydrophobicContact CE1-CB 3.69Å; Y356-P358 HydrophobicContact CE1-CG 3.82Å; Y356-P358 WeakPolarHBondContact O-CD 3.26Å; Y356-Y374 HydrophobicContact CD1-CG 4.48Å; Y356-Y374 PolarHBondContact N-O 2.85Å; Y356-Y374 PolarHBondContact O-N 3.48Å
357V98Very high96Very high0 Ų031.6 Ų31.60%017%0.169CC..  trans-12376.7-174.2-168.20000109.7V324 L326 V355 A359 V360 T371 I373 F413V324-V357 HydrophobicContact CG2-CB 4.15Å; V324-V357 HydrophobicContact CG2-CG1 4Å; V324-V357 HydrophobicContact CG2-CG2 4.01Å; L326-V357 VanDerWaalsContact CD1-O 3.31Å; L326-V357 WeakPolarHBondContact CD1-O 3.01Å; L326-V357 PolarHBondContact O-N 3.2Å; V355-V357 HydrophobicContact CG1-CG2 4.29Å; V357-A359 PolarHBondContact O-N 2.86Å; V357-A359 VanDerWaalsContact O-N 3.11Å; V357-V360 HydrophobicContact CB-CG2 4.04Å; V357-V360 HydrophobicContact CG1-CG2 3.91Å; V357-V360 WeakPolarHBondContact O-CB 3.36Å; V357-V360 WeakPolarHBondContact O-CG2 3.29Å; V357-V360 PolarHBondContact O-N 3.22Å; V357-V360 VanDerWaalsContact O-N 3.09Å; V357-T371 HydrophobicContact CG1-CG2 3.35Å; V357-I373 HydrophobicContact CG2-CG1 4.47Å; V357-F413 HydrophobicContact CG2-CZ 4.46Å
358P96.9Very high96.1Very high3 Ų339.2 Ų39.22%0.01920%0.203CC..G310 helixtrans-57.4-30.8-169.215.7-28.3000114.7Y356 V360 A361 D362 L365Y356-P358 HydrophobicContact CD1-CB 4.47Å; Y356-P358 HydrophobicContact CD1-CG 4.21Å; Y356-P358 HydrophobicContact CE1-CB 3.69Å; Y356-P358 HydrophobicContact CE1-CG 3.82Å; Y356-P358 WeakPolarHBondContact O-CD 3.26Å; P358-V360 PolarHBondContact O-N 3.24Å; P358-V360 VanDerWaalsContact O-N 3.12Å; P358-A361 PolarHBondContact O-N 2.84Å; P358-D362 PolarHBondContact O-N 3.19Å; P358-L365 HydrophobicContact CB-CB 4.28Å; P358-L365 HydrophobicContact CB-CD1 3.56Å
359A97.1Very high96.4Very high3 Ų340.5 Ų40.53%0.02522%0.219CC..G310 helixtrans-61-21.3-179.900000113.5T321 V357 A361 D362 A366 T371T321-A359 HydrophobicContact CG2-CB 3.69Å; V357-A359 PolarHBondContact O-N 2.86Å; V357-A359 VanDerWaalsContact O-N 3.11Å; A359-A361 VanDerWaalsContact C-N 3.26Å; A359-A361 PolarHBondContact O-N 3.31Å; A359-D362 WeakPolarHBondContact CA-O 3.25Å; A359-A366 HydrophobicContact CB-CB 4.2Å; A359-T371 HydrophobicContact CB-CG2 4.46Å
360V97.3Very high96.7Very high52 Ų5236.3 Ų36.332%0.31520%0.204SC..G310 helixtrans-59.7-38.2172.7175.10000111.2T321 V324 L326 V357 P358T321-V360 HydrophobicContact CG2-CG2 4.25Å; V324-V360 HydrophobicContact CG2-CG2 4.1Å; L326-V360 HydrophobicContact CB-CB 4.36Å; L326-V360 HydrophobicContact CB-CG1 4.33Å; L326-V360 HydrophobicContact CD1-CB 4.47Å; V357-V360 HydrophobicContact CB-CG2 4.04Å; V357-V360 HydrophobicContact CG1-CG2 3.91Å; V357-V360 WeakPolarHBondContact O-CB 3.36Å; V357-V360 WeakPolarHBondContact O-CG2 3.29Å; V357-V360 PolarHBondContact O-N 3.22Å; V357-V360 VanDerWaalsContact O-N 3.09Å; P358-V360 PolarHBondContact O-N 3.24Å; P358-V360 VanDerWaalsContact O-N 3.12Å
361A96.5Very high96.8Very high33 Ų3334.3 Ų34.327%0.27319%0.193SC..THydrogen-bonded Turntrans-97.6-29.6-179.900000113.1F216 L326 P358 A359F216-A361 HydrophobicContact CB-CB 4.27Å; F216-A361 HydrophobicContact CD1-CB 3.68Å; F216-A361 HydrophobicContact CD2-CB 3.61Å; F216-A361 HydrophobicContact CE1-CB 3.81Å; F216-A361 HydrophobicContact CE2-CB 3.71Å; F216-A361 HydrophobicContact CG-CB 3.58Å; F216-A361 HydrophobicContact CZ-CB 3.82Å; L326-A361 HydrophobicContact CD1-CB 3.92Å; L326-A361 HydrophobicContact CD2-CB 4.11Å; P358-A361 PolarHBondContact O-N 2.84Å; A359-A361 VanDerWaalsContact C-N 3.26Å; A359-A361 PolarHBondContact O-N 3.31Å
362D96.8Very high97Very high20 Ų2034.4 Ų34.411%0.10719%0.194CC..  trans-145.297.8-179.5-173-8.8000111.7F216 G219 P358 A359 S364 L365F216-D362 HydrophobicContact CE1-CB 3.61Å; F216-D362 HydrophobicContact CZ-CB 3.61Å; G219-D362 PolarHBondContact N-OD2 3.31Å; P358-D362 PolarHBondContact O-N 3.19Å; A359-D362 WeakPolarHBondContact CA-O 3.25Å; D362-S364 VanDerWaalsContact CG-OG 3.24Å; D362-S364 PolarHBondContact O-N 3.49Å; D362-S364 VanDerWaalsContact OD1-CB 3.3Å; D362-S364 WeakPolarHBondContact OD1-CB 3.44Å; D362-S364 PolarHBondContact OD1-N 3.14Å; D362-S364 PolarHBondContact OD1-OG 3.06Å; D362-S364 PolarHBondContact OD2-OG 2.99Å; D362-L365 HydrophobicContact CB-CD1 3.96Å; D362-L365 HydrophobicContact CB-CG 4.23Å; D362-L365 WeakPolarHBondContact O-CB 3.29Å; D362-L365 PolarHBondContact O-N 3.31Å; D362-L365 VanDerWaalsContact O-N 3.08Å
363K96.3Very high97.2Very high136 Ų13634.3 Ų34.359%0.59119%0.194SC*.G310 helixtrans-57.9-16.9179.7-63-161176.3-145.40113.8D319 L365 A366D319-K363 IonicContact OD2-NZ 3.8Å; K363-L365 PolarHBondContact O-N 3Å; K363-A366 VanDerWaalsContact O-O 3.1Å
364S96.1Very high97.3Very high87 Ų8734.6 Ų34.661%0.60820%0.195SC*.G310 helixtrans-72.2-10.3177.373.60000114.1D362 A366D362-S364 VanDerWaalsContact CG-OG 3.24Å; D362-S364 PolarHBondContact O-N 3.49Å; D362-S364 VanDerWaalsContact OD1-CB 3.3Å; D362-S364 WeakPolarHBondContact OD1-CB 3.44Å; D362-S364 PolarHBondContact OD1-N 3.14Å; D362-S364 PolarHBondContact OD1-OG 3.06Å; D362-S364 PolarHBondContact OD2-OG 2.99Å; S364-A366 VanDerWaalsContact C-N 3.31Å
365L97.3Very high97.4Very high7 Ų733.9 Ų33.94%0.03719%0.192CC..G310 helixtrans-84.1-3.2180-64173.7000113.7T48 F216 P358 D362 K363T48-L365 HydrophobicContact CG2-CD2 3.74Å; T48-L365 PolarHBondContact N-O 3.09Å; F216-L365 HydrophobicContact CZ-CD1 4.01Å; P358-L365 HydrophobicContact CB-CB 4.28Å; P358-L365 HydrophobicContact CB-CD1 3.56Å; D362-L365 HydrophobicContact CB-CD1 3.96Å; D362-L365 HydrophobicContact CB-CG 4.23Å; D362-L365 WeakPolarHBondContact O-CB 3.29Å; D362-L365 PolarHBondContact O-N 3.31Å; D362-L365 VanDerWaalsContact O-N 3.08Å; K363-L365 PolarHBondContact O-N 3Å
366A97.9Very high97.4Very high11 Ų1135 Ų359%0.09120%0.198CC..SBendtrans-138.3158172.200000111F47 A359 K363 S364 K370F47-A366 HydrophobicContact CD1-CB 4Å; F47-A366 HydrophobicContact CE1-CB 4.31Å; A359-A366 HydrophobicContact CB-CB 4.2Å; K363-A366 VanDerWaalsContact O-O 3.1Å; S364-A366 VanDerWaalsContact C-N 3.31Å; A366-K370 WeakPolarHBondContact CB-O 3.32Å
367P97.8Very high97.3Very high39 Ų3935.1 Ų35.125%0.25320%0.198SC..  trans-59.4155.6168.8-21.634000111.9F47 G369 K370F47-P367 HydrophobicContact CE1-CG 4.45Å; F47-P367 HydrophobicContact CZ-CG 4.44Å; P367-G369 PolarHBondContact O-N 2.96Å; P367-K370 HydrophobicContact CB-CB 4.25Å; P367-K370 HydrophobicContact CB-CD 4.14Å; P367-K370 HydrophobicContact CB-CG 4.29Å; P367-K370 HydrophobicContact CG-CD 4.33Å; P367-K370 WeakPolarHBondContact O-CB 3.22Å; P367-K370 PolarHBondContact O-N 2.85Å; P367-K370 VanDerWaalsContact O-N 3.1Å
368E97Very high97.1Very high196 Ų19635.9 Ų35.992%0.91620%0.203SC*.THydrogen-bonded Turntrans-56133.4176.2-173.5176.7-17400111.6K370E368-K370 PolarHBondContact O-N 3.36Å
369G97.5Very high97Very high41 Ų4135.7 Ų35.742%0.42320%0.202SC..THydrogen-bonded Turntrans73.57.6-179.300000115I318 D319 P367I318-G369 CarbonylContact C-O 3.22Å; I318-G369 WeakPolarHBondContact CA-O 3.39Å; D319-G369 PolarHBondContact N-O 3.31Å; P367-G369 PolarHBondContact O-N 2.96Å
370K98.3Very high96.9Very high73 Ų7335.7 Ų35.732%0.31720%0.202SC..  trans-125.4160.9-177.2-60.3-160.6-178.8-171.20111.4F47 I316 I318 A366 P367 E368F47-K370 HydrophobicContact CE1-CB 3.83Å; F47-K370 HydrophobicContact CZ-CB 3.96Å; F47-K370 HydrophobicContact CZ-CD 3.86Å; I316-K370 VanDerWaalsContact O-CB 3.28Å; I316-K370 WeakPolarHBondContact O-CB 3.34Å; I318-K370 CarbonylContact O-C 3.2Å; A366-K370 WeakPolarHBondContact CB-O 3.32Å; P367-K370 HydrophobicContact CB-CB 4.25Å; P367-K370 HydrophobicContact CB-CD 4.14Å; P367-K370 HydrophobicContact CB-CG 4.29Å; P367-K370 HydrophobicContact CG-CD 4.33Å; P367-K370 WeakPolarHBondContact O-CB 3.22Å; P367-K370 PolarHBondContact O-N 2.85Å; P367-K370 VanDerWaalsContact O-N 3.1Å; E368-K370 PolarHBondContact O-N 3.36Å
371T98.4Very high96.8Very high0 Ų033.5 Ų33.50%019%0.188CC..EExtended strand (participates in β ladder)trans-129.2134.4178.6-49.70000111.6F47 I316 I318 D319 V320 V357 A359 I373F47-T371 VanDerWaalsContact CE1-O 3.31Å; F47-T371 WeakPolarHBondContact CE1-O 3.14Å; I316-T371 VanDerWaalsContact CG1-O 3.3Å; I316-T371 WeakPolarHBondContact CG1-O 3.45Å; I316-T371 PolarHBondContact N-O 3.04Å; I316-T371 PolarHBondContact O-N 3.33Å; I316-T371 VanDerWaalsContact O-N 3.17Å; I318-T371 WeakPolarHBondContact O-CB 3.29Å; I318-T371 PolarHBondContact O-N 2.97Å; I318-T371 VanDerWaalsContact O-N 3.12Å; I318-T371 PolarHBondContact O-OG1 2.76Å; D319-T371 WeakPolarHBondContact CA-OG1 3.05Å; V320-T371 HydrophobicContact CG2-CG2 3.71Å; V320-T371 PolarHBondContact N-OG1 3.31Å; V357-T371 HydrophobicContact CG1-CG2 3.35Å; A359-T371 HydrophobicContact CB-CG2 4.46Å; T371-I373 HydrophobicContact CG2-CG1 4.36Å
372G98.2Very high96.8Very high2 Ų233.3 Ų33.32%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-95.2134.5166.700000110.7I314I314-G372 CarbonylContact O-C 3.6Å
373I98.3Very high96.7Very high0 Ų036 Ų360%019%0.193CC..EExtended strand (participates in β ladder)trans-123.7131.2-179.7-56.5165000108.9I314 I316 V355 V357 T371 V375 F413 I416I314-I373 HydrophobicContact CB-CB 4.38Å; I314-I373 PolarHBondContact N-O 3.35Å; I314-I373 PolarHBondContact O-N 2.95Å; I316-I373 HydrophobicContact CD1-CD1 3.76Å; I316-I373 HydrophobicContact CG1-CD1 4.19Å; I316-I373 HydrophobicContact CG2-CD1 4.34Å; V355-I373 HydrophobicContact CG1-CG2 3.57Å; V357-I373 HydrophobicContact CG2-CG1 4.47Å; T371-I373 HydrophobicContact CG2-CG1 4.36Å; I373-V375 HydrophobicContact CG2-CG2 3.98Å; I373-F413 HydrophobicContact CD1-CD1 4.13Å; I373-F413 HydrophobicContact CD1-CE1 3.41Å; I373-F413 VanDerWaalsContact CD1-CE1 3.41Å; I373-F413 HydrophobicContact CD1-CE2 4.44Å; I373-F413 HydrophobicContact CD1-CZ 3.61Å; I373-F413 HydrophobicContact CG1-CE1 4.41Å; I373-F413 HydrophobicContact CG1-CZ 4.22Å; I373-I416 HydrophobicContact CD1-CD1 3.8Å
374Y97.9Very high96.7Very high6 Ų632.6 Ų32.62%0.02418%0.184CC..EExtended strand (participates in β ladder)trans-106.1130.7169.2165.6-81.9000108.8T54 L311 M312 Y313 Y354 V355 Y356 L376T54-Y374 HydrophobicContact CG2-CD1 4.44Å; T54-Y374 HydrophobicContact CG2-CE1 4.31Å; L311-Y374 HydrophobicContact CB-CE2 4.46Å; L311-Y374 HydrophobicContact CD1-CE2 3.93Å; L311-Y374 HydrophobicContact CD2-CE1 4.48Å; L311-Y374 HydrophobicContact CD2-CE2 4.05Å; L311-Y374 WeakPolarHBondContact CD2-OH 3.27Å; L311-Y374 HydrophobicContact CG-CE2 4.38Å; M312-Y374 CarbonylContact O-C 3.53Å; M312-Y374 WeakPolarHBondContact O-CA 3.29Å; Y313-Y374 AromaticContact CD1-CD2 3.72Å; Y313-Y374 HydrophobicContact CD1-CD2 3.72Å; Y313-Y374 HydrophobicContact CD1-CE2 4.45Å; Y313-Y374 AromaticContact CE1-CD2 3.36Å; Y313-Y374 HydrophobicContact CE1-CD2 3.36Å; Y313-Y374 AromaticContact CE1-CE2 3.69Å; Y313-Y374 HydrophobicContact CE1-CE2 3.69Å; Y354-Y374 HydrophobicContact CD1-CD1 4.26Å; Y354-Y374 AromaticContact CD1-CE1 3.89Å; Y354-Y374 HydrophobicContact CD1-CE1 3.89Å; Y354-Y374 HydrophobicContact CE1-CD1 4.08Å; Y354-Y374 AromaticContact CE1-CE1 3.86Å; Y354-Y374 HydrophobicContact CE1-CE1 3.86Å; V355-Y374 CarbonylContact C-O 3.56Å; V355-Y374 WeakPolarHBondContact CA-O 3.3Å; Y356-Y374 HydrophobicContact CD1-CG 4.48Å; Y356-Y374 PolarHBondContact N-O 2.85Å; Y356-Y374 PolarHBondContact O-N 3.48Å; Y374-L376 HydrophobicContact CE1-CB 3.67Å; Y374-L376 HydrophobicContact CE1-CD1 4.46Å; Y374-L376 WeakPolarHBondContact OH-CD1 3.15Å
375V97.9Very high96.6Very high0 Ų028.5 Ų28.50%016%0.156CC..EExtended strand (participates in β ladder)trans-121.6129175-171.90000109.2L311 M312 I314 I353 Y354 V355 I373 I403 L407L311-V375 CarbonylContact C-O 3.58Å; L311-V375 VanDerWaalsContact CA-O 3.26Å; L311-V375 WeakPolarHBondContact CA-O 3.44Å; M312-V375 HydrophobicContact CB-CB 4.3Å; M312-V375 PolarHBondContact N-O 3.49Å; M312-V375 PolarHBondContact O-N 2.92Å; I314-V375 HydrophobicContact CD1-CG2 4.24Å; I353-V375 HydrophobicContact CB-CG1 4.22Å; I353-V375 HydrophobicContact CD1-CG1 3.95Å; Y354-V375 CarbonylContact O-C 3.57Å; Y354-V375 WeakPolarHBondContact O-CA 3.3Å; V355-V375 HydrophobicContact CG2-CG1 4.47Å; V355-V375 HydrophobicContact CG2-CG2 4.5Å; I373-V375 HydrophobicContact CG2-CG2 3.98Å; V375-I403 HydrophobicContact CB-CG2 4.39Å; V375-I403 HydrophobicContact CG1-CG2 3.85Å; V375-I403 HydrophobicContact CG2-CG2 4.43Å; V375-L407 HydrophobicContact CG2-CD1 4.13Å; V375-L407 HydrophobicContact CG2-CD2 4.04Å
376L96.4Very high96.4Very high24 Ų2433.1 Ų33.113%0.12619%0.188CC..EExtended strand (participates in β ladder)trans-113.4122.7171.8-179.4159.2000109.2A309 L311 I353 Y354 Y374 P378 F443A309-L376 HydrophobicContact CB-CD1 4.19Å; A309-L376 HydrophobicContact CB-CD2 4.41Å; A309-L376 HydrophobicContact CB-CG 3.94Å; L311-L376 HydrophobicContact CD2-CB 3.67Å; L311-L376 HydrophobicContact CD2-CD1 3.89Å; L311-L376 HydrophobicContact CD2-CG 3.62Å; I353-L376 WeakPolarHBondContact CA-O 3.38Å; Y354-L376 HydrophobicContact CD1-CB 4.11Å; Y354-L376 PolarHBondContact N-O 3.02Å; Y354-L376 PolarHBondContact O-N 3.31Å; Y374-L376 HydrophobicContact CE1-CB 3.67Å; Y374-L376 HydrophobicContact CE1-CD1 4.46Å; Y374-L376 WeakPolarHBondContact OH-CD1 3.15Å; L376-P378 HydrophobicContact CD2-CG 3.8Å; L376-F443 HydrophobicContact CD1-CZ 4.49Å
377M95.4Very high96.2Very high4 Ų436.3 Ų36.32%0.0222%0.223CC..EExtended strand (participates in β ladder)trans-109.6116.6166.9-176-177.184.600108.5A309 F310 L347 P351 I353 T379 I399 I403A309-M377 WeakPolarHBondContact CA-O 3.21Å; F310-M377 HydrophobicContact CB-CB 4.43Å; F310-M377 HydrophobicContact CB-CE 4.04Å; F310-M377 PolarHBondContact N-O 3Å; F310-M377 PolarHBondContact O-N 3.39Å; L347-M377 HydrophobicContact CD2-CE 4.41Å; P351-M377 HydrophobicContact CB-CG 3.74Å; P351-M377 HydrophobicContact CB-SD 3.92Å; P351-M377 HydrophobicContact CG-CG 3.99Å; P351-M377 HydrophobicContact CG-SD 3.62Å; I353-M377 HydrophobicContact CG2-CB 4.05Å; I353-M377 HydrophobicContact CG2-CG 4.12Å; M377-T379 HydrophobicContact CE-CG2 3.53Å; M377-I399 HydrophobicContact CE-CD1 4.48Å; M377-I399 HydrophobicContact CE-CG1 4.46Å; M377-I399 HydrophobicContact CE-CG2 3.57Å; M377-I399 HydrophobicContact SD-CG2 4.04Å; M377-I403 HydrophobicContact CB-CD1 4.31Å; M377-I403 HydrophobicContact SD-CD1 4.4Å; M377-I403 HydrophobicContact SD-CG1 4.35Å
378P94.4Very high96.1Very high16 Ų1635.8 Ų35.810%0.10422%0.218CC..EExtended strand (participates in β ladder)trans-62.1139.6174.7-21.534.3000111.1I342 S352 L376I342-P378 HydrophobicContact CD1-CB 3.79Å; S352-P378 WeakPolarHBondContact O-CD 3.39Å; L376-P378 HydrophobicContact CD2-CG 3.8Å
379T94.9Very high96.1Very high0 Ų030.8 Ų30.80%020%0.197CC..EExtended strand (participates in β ladder)trans-141.8160.1-175.755.70000110.9C307 S308 A309 F310 L347 M377 W390C307-T379 WeakPolarHBondContact CB-O 3.3Å; S308-T379 CarbonylContact C-O 3.57Å; S308-T379 VanDerWaalsContact C-OG1 3.3Å; S308-T379 PolarHBondContact N-O 2.97Å; S308-T379 PolarHBondContact O-N 3Å; S308-T379 VanDerWaalsContact O-O 3.11Å; S308-T379 PolarHBondContact O-OG1 3.48Å; A309-T379 WeakPolarHBondContact CA-OG1 3.46Å; A309-T379 PolarHBondContact N-OG1 3.18Å; F310-T379 HydrophobicContact CB-CG2 3.91Å; L347-T379 HydrophobicContact CD2-CG2 3.81Å; M377-T379 HydrophobicContact CE-CG2 3.53Å; T379-W390 HydrophobicContact CG2-CH2 3.68Å; T379-W390 HydrophobicContact CG2-CZ2 4.25Å
380P94.8Very high96Very high2 Ų229.3 Ų29.31%0.01318%0.179CC..  trans-58.1143.9171-17.627.5000111.4I342 R346 I388I342-P380 WeakPolarHBondContact O-CB 3.34Å; I342-P380 VanDerWaalsContact O-CG 3.31Å; I342-P380 WeakPolarHBondContact O-CG 3.41Å; R346-P380 WeakPolarHBondContact O-CG 3.33Å; P380-I388 HydrophobicContact CB-CD1 4.45Å; P380-I388 HydrophobicContact CG-CD1 3.93Å
381E95.2Very high95.8Very high6 Ų630 Ų303%0.02819%0.193CC..  trans-72.6161.5166.659.372.7-144.400111.2S306 K383 T384 G385 F439S306-E381 WeakPolarHBondContact O-CG 3.11Å; E381-K383 VanDerWaalsContact C-N 3.25Å; E381-K383 PolarHBondContact O-N 3.25Å; E381-K383 VanDerWaalsContact O-N 3.13Å; E381-K383 WeakPolarHBondContact OE1-CB 3.38Å; E381-K383 WeakPolarHBondContact OE2-CB 3.16Å; E381-K383 PolarHBondContact OE2-N 2.99Å; E381-T384 PolarHBondContact O-N 2.81Å; E381-T384 WeakPolarHBondContact OE1-CB 3.42Å; E381-T384 PolarHBondContact OE1-N 3.04Å; E381-T384 PolarHBondContact OE1-OG1 2.84Å; E381-G385 PolarHBondContact O-N 3Å; E381-F439 WeakPolarHBondContact CB-O 3.23Å; E381-F439 WeakPolarHBondContact OE2-CB 3.28Å
382L96.4Very high95.7Very high29 Ų2933.6 Ų33.615%0.15221%0.212CC..THydrogen-bonded Turntrans-60.8-27.1-166.1-64.9174.2000114.2S386 P428 N429 E432 F439L382-S386 WeakPolarHBondContact O-CA 3.46Å; L382-S386 PolarHBondContact O-N 3.38Å; L382-P428 HydrophobicContact CD2-CB 3.74Å; L382-P428 HydrophobicContact CG-CB 4Å; L382-N429 WeakPolarHBondContact CD2-OD1 3.24Å; L382-E432 HydrophobicContact CD1-CB 4.18Å; L382-F439 HydrophobicContact CB-CB 4.2Å; L382-F439 WeakPolarHBondContact CB-O 3.13Å; L382-F439 WeakPolarHBondContact CG-O 3.1Å; L382-F439 PolarHBondContact N-O 3.39Å
383K95.2Very high95.6Very high76 Ų7641.5 Ų41.533%0.3325%0.248SC..THydrogen-bonded Turntrans-71.8-52.5176.4175.418061.2168.60110.9A301 L303 E381 F439A301-K383 PolarHBondContact O-NZ 2.9Å; L303-K383 PolarHBondContact O-NZ 3.21Å; E381-K383 VanDerWaalsContact C-N 3.25Å; E381-K383 PolarHBondContact O-N 3.25Å; E381-K383 VanDerWaalsContact O-N 3.13Å; E381-K383 WeakPolarHBondContact OE1-CB 3.38Å; E381-K383 WeakPolarHBondContact OE2-CB 3.16Å; E381-K383 PolarHBondContact OE2-N 2.99Å; K383-F439 HydrophobicContact CB-CB 4.31Å; K383-F439 HydrophobicContact CB-CD1 3.97Å; K383-F439 HydrophobicContact CB-CD2 3.92Å; K383-F439 HydrophobicContact CB-CE1 4.2Å; K383-F439 HydrophobicContact CB-CE2 4.17Å; K383-F439 HydrophobicContact CB-CG 3.83Å; K383-F439 HydrophobicContact CB-CZ 4.3Å; K383-F439 HydrophobicContact CD-CD2 4.28Å; K383-F439 HydrophobicContact CD-CE2 3.8Å; K383-F439 HydrophobicContact CD-CZ 4.04Å
384T94.4Very high95.6Very high65 Ų6544.6 Ų44.640%0.39927%0.274SS..THydrogen-bonded Turntrans-69.7-38.9179.9-56.80000111.1E381 S386E381-T384 PolarHBondContact O-N 2.81Å; E381-T384 WeakPolarHBondContact OE1-CB 3.42Å; E381-T384 PolarHBondContact OE1-N 3.04Å; E381-T384 PolarHBondContact OE1-OG1 2.84Å; T384-S386 VanDerWaalsContact C-N 3.32Å; T384-S386 PolarHBondContact O-N 2.64Å
385G95.2Very high95.5Very high2 Ų245.6 Ų45.62%0.02128%0.28CS..THydrogen-bonded Turntrans-88.828.2177.300000114.7E381 G387 I388E381-G385 PolarHBondContact O-N 3Å; G385-G387 PolarHBondContact O-N 3.1Å; G385-I388 WeakPolarHBondContact O-CB 3.42Å; G385-I388 PolarHBondContact O-N 3.09Å
386S93.5Very high95.5Very high103 Ų10346.8 Ų46.872%0.7229%0.287SS*.THydrogen-bonded Turntrans-58.7-15.1-173.256.20000115.8L382 T384L382-S386 WeakPolarHBondContact O-CA 3.46Å; L382-S386 PolarHBondContact O-N 3.38Å; T384-S386 VanDerWaalsContact C-N 3.32Å; T384-S386 PolarHBondContact O-N 2.64Å
387G93Very high95.5Very high79 Ų7949.6 Ų49.681%0.81430%0.299SS*.THydrogen-bonded Turntrans-88.1-2.1172.700000115G385G385-G387 PolarHBondContact O-N 3.1Å
388I96Very high95.6Very high28 Ų2853.5 Ų53.514%0.14432%0.318CS..  trans-97.8113.8-178-56.6168.8000108.8L347 P380 G385 W390 L395L347-I388 HydrophobicContact CD1-CD1 4.35Å; L347-I388 HydrophobicContact CD1-CG2 4.02Å; L347-I388 HydrophobicContact CD2-CD1 4.1Å; L347-I388 HydrophobicContact CG-CD1 3.84Å; P380-I388 HydrophobicContact CB-CD1 4.45Å; P380-I388 HydrophobicContact CG-CD1 3.93Å; G385-I388 WeakPolarHBondContact O-CB 3.42Å; G385-I388 PolarHBondContact O-N 3.09Å; I388-W390 HydrophobicContact CG2-CD2 4.03Å; I388-W390 HydrophobicContact CG2-CG 4.44Å; I388-W390 HydrophobicContact CG2-CH2 4.38Å; I388-W390 HydrophobicContact CG2-CZ2 3.84Å; I388-W390 PolarHBondContact O-N 2.73Å; I388-L395 HydrophobicContact CG2-CD2 3.62Å
389D96.2Very high95.8Very high90 Ų9052.9 Ų52.948%0.48131%0.313SS..  trans-88.796.2174.5-172.7-2.8000110.9S391 D392 L395D389-S391 PolarHBondContact O-N 3.36Å; D389-S391 VanDerWaalsContact O-N 3.14Å; D389-S391 WeakPolarHBondContact OD1-CA 3.48Å; D389-S391 WeakPolarHBondContact OD1-CB 3.33Å; D389-S391 PolarHBondContact OD1-N 2.9Å; D389-S391 PolarHBondContact OD1-OG 3.2Å; D389-S391 PolarHBondContact OD2-OG 3.15Å; D389-D392 HydrophobicContact CB-CB 4.41Å; D389-D392 WeakPolarHBondContact O-CB 3.45Å; D389-D392 PolarHBondContact O-N 3.12Å; D389-D392 VanDerWaalsContact O-N 3.1Å; D389-L395 WeakPolarHBondContact O-CD2 3.47Å
390W96Very high95.9Very high11 Ų1154 Ų544%0.04232%0.319CS..THydrogen-bonded Turntrans-67.8-5.5177-64.1104.2000114.3F310 L347 T379 I388 I399 T427 P428F310-W390 HydrophobicContact CB-CZ3 4.37Å; F310-W390 HydrophobicContact CD2-CE3 4.09Å; F310-W390 HydrophobicContact CD2-CH2 4.44Å; F310-W390 AromaticContact CD2-CZ3 3.51Å; F310-W390 HydrophobicContact CD2-CZ3 3.51Å; F310-W390 HydrophobicContact CE2-CZ3 4.21Å; F310-W390 HydrophobicContact CG-CZ3 4.37Å; L347-W390 HydrophobicContact CD1-CH2 4.33Å; L347-W390 HydrophobicContact CD2-CH2 3.76Å; L347-W390 HydrophobicContact CD2-CZ2 4.16Å; T379-W390 HydrophobicContact CG2-CH2 3.68Å; T379-W390 HydrophobicContact CG2-CZ2 4.25Å; I388-W390 HydrophobicContact CG2-CD2 4.03Å; I388-W390 HydrophobicContact CG2-CG 4.44Å; I388-W390 HydrophobicContact CG2-CH2 4.38Å; I388-W390 HydrophobicContact CG2-CZ2 3.84Å; I388-W390 PolarHBondContact O-N 2.73Å; W390-I399 HydrophobicContact CE3-CD1 4.49Å; W390-I399 HydrophobicContact CH2-CD1 4.21Å; W390-I399 HydrophobicContact CZ3-CD1 3.6Å; W390-T427 HydrophobicContact CE3-CG2 4.19Å; W390-P428 HydrophobicContact CD2-CG 4.09Å; W390-P428 VanDerWaalsContact CE2-CG 3.48Å; W390-P428 HydrophobicContact CH2-CG 4.3Å; W390-P428 HydrophobicContact CZ2-CG 3.6Å
391S94.4Very high96Very high88 Ų8857.3 Ų57.362%0.61533%0.334SS*.THydrogen-bonded Turntrans-89.4-7.5171.874.40000113.6D389 E393D389-S391 PolarHBondContact O-N 3.36Å; D389-S391 VanDerWaalsContact O-N 3.14Å; D389-S391 WeakPolarHBondContact OD1-CA 3.48Å; D389-S391 WeakPolarHBondContact OD1-CB 3.33Å; D389-S391 PolarHBondContact OD1-N 2.9Å; D389-S391 PolarHBondContact OD1-OG 3.2Å; D389-S391 PolarHBondContact OD2-OG 3.15Å; S391-E393 PolarHBondContact O-N 3.48Å
392D96.7Very high96.1Very high74 Ų7457.4 Ų57.440%0.39633%0.334SS..  trans-75.3114.1176.8-177.54.8000111.3D389 A394 L395 T396D389-D392 HydrophobicContact CB-CB 4.41Å; D389-D392 WeakPolarHBondContact O-CB 3.45Å; D389-D392 PolarHBondContact O-N 3.12Å; D389-D392 VanDerWaalsContact O-N 3.1Å; D392-A394 VanDerWaalsContact C-N 3.29Å; D392-A394 PolarHBondContact O-N 2.93Å; D392-A394 WeakPolarHBondContact OD1-CB 3.2Å; D392-A394 PolarHBondContact OD1-N 3.12Å; D392-L395 HydrophobicContact CB-CB 3.96Å; D392-L395 PolarHBondContact O-N 3.48Å; D392-T396 PolarHBondContact O-N 3.34Å; D392-T396 PolarHBondContact O-OG1 2.84Å
393E96.1Very high96.2Very high168 Ų16856 Ų5679%0.78533%0.327SS*.Hα-helixtrans-62.5-33.6176.1-66.9-176.7177.400112.6S391 T396 Q397S391-E393 PolarHBondContact O-N 3.48Å; E393-T396 PolarHBondContact O-N 2.86Å; E393-Q397 PolarHBondContact O-N 2.91Å
394A97.2Very high96.3Very high66 Ų6653.2 Ų53.255%0.54532%0.315SS..Hα-helixtrans-68.4-42.7179.200000111.1D392 T396 Q397 Q398D392-A394 VanDerWaalsContact C-N 3.29Å; D392-A394 PolarHBondContact O-N 2.93Å; D392-A394 WeakPolarHBondContact OD1-CB 3.2Å; D392-A394 PolarHBondContact OD1-N 3.12Å; A394-T396 VanDerWaalsContact C-N 3.34Å; A394-Q397 PolarHBondContact O-N 2.82Å; A394-Q398 PolarHBondContact O-N 2.83Å
395L96.7Very high96.4Very high27 Ų2756.8 Ų56.814%0.14132%0.321CS..Hα-helixtrans-60.4-46172.2177.864.5000110.9L347 I388 D389 D392 Q397 Q398 I399L347-L395 HydrophobicContact CD1-CD1 3.86Å; L347-L395 HydrophobicContact CD1-CD2 4.32Å; L347-L395 HydrophobicContact CD1-CG 4.49Å; I388-L395 HydrophobicContact CG2-CD2 3.62Å; D389-L395 WeakPolarHBondContact O-CD2 3.47Å; D392-L395 HydrophobicContact CB-CB 3.96Å; D392-L395 PolarHBondContact O-N 3.48Å; L395-Q397 VanDerWaalsContact C-N 3.33Å; L395-Q397 PolarHBondContact O-N 2.83Å; L395-Q398 WeakPolarHBondContact O-CB 3.46Å; L395-Q398 PolarHBondContact O-N 2.82Å; L395-Q398 VanDerWaalsContact O-N 3.14Å; L395-I399 HydrophobicContact CD1-CD1 4.24Å; L395-I399 HydrophobicContact CD1-CG1 4.38Å; L395-I399 HydrophobicContact CG-CD1 4.03Å; L395-I399 WeakPolarHBondContact O-CG1 3.45Å; L395-I399 PolarHBondContact O-N 2.83Å
396T97.1Very high96.5Very high25 Ų2557.3 Ų57.315%0.15332%0.322CS..Hα-helixtrans-58.2-45.7178.7-630000111.1F310 D392 E393 A394 Q398 I399 K400 I425F310-T396 HydrophobicContact CE2-CG2 4.49Å; F310-T396 HydrophobicContact CZ-CG2 4.29Å; D392-T396 PolarHBondContact O-N 3.34Å; D392-T396 PolarHBondContact O-OG1 2.84Å; E393-T396 PolarHBondContact O-N 2.86Å; A394-T396 VanDerWaalsContact C-N 3.34Å; T396-Q398 PolarHBondContact O-N 2.86Å; T396-I399 PolarHBondContact O-N 3Å; T396-K400 HydrophobicContact CG2-CD 4.49Å; T396-K400 WeakPolarHBondContact O-CG 3.38Å; T396-K400 PolarHBondContact O-N 3.29Å; T396-I425 HydrophobicContact CG2-CD1 3.32Å
397Q97.3Very high96.7Very high82 Ų8252.4 Ų52.438%0.38329%0.288SS..Hα-helixtrans-65.5-37176.5-170.55936.300112.5E393 A394 L395 K400 E401E393-Q397 PolarHBondContact O-N 2.91Å; A394-Q397 PolarHBondContact O-N 2.82Å; L395-Q397 VanDerWaalsContact C-N 3.33Å; L395-Q397 PolarHBondContact O-N 2.83Å; Q397-K400 PolarHBondContact O-N 2.73Å; Q397-E401 PolarHBondContact NE2-OE1 2.92Å; Q397-E401 PolarHBondContact O-N 2.75Å; Q397-E401 VanDerWaalsContact O-N 3.09Å
398Q97.3Very high96.9Very high86 Ų8650 Ų5040%0.40226%0.26SS..Hα-helixtrans-60.9-46173.9-180-175.8-34.300111.7Y349 A394 L395 T396 K400 E401 I402Y349-Q398 VanDerWaalsContact CE1-NE2 3.32Å; A394-Q398 PolarHBondContact O-N 2.83Å; L395-Q398 WeakPolarHBondContact O-CB 3.46Å; L395-Q398 PolarHBondContact O-N 2.82Å; L395-Q398 VanDerWaalsContact O-N 3.14Å; T396-Q398 PolarHBondContact O-N 2.86Å; Q398-K400 VanDerWaalsContact C-N 3.33Å; Q398-K400 PolarHBondContact O-N 3.18Å; Q398-E401 PolarHBondContact O-N 2.96Å; Q398-I402 HydrophobicContact CG-CD1 4.35Å; Q398-I402 WeakPolarHBondContact O-CG1 3.24Å; Q398-I402 PolarHBondContact O-N 3.01Å; Q398-I402 VanDerWaalsContact O-N 3.15Å
399I97.6Very high96.9Very high3 Ų349.6 Ų49.62%0.01526%0.259CS..Hα-helixtrans-62.6-41.6178.4-66.2169.9000110.7F310 L347 M377 W390 L395 T396 E401 I402 I403F310-I399 HydrophobicContact CD1-CG2 3.65Å; F310-I399 HydrophobicContact CD2-CD1 4.27Å; F310-I399 HydrophobicContact CD2-CG2 4.27Å; F310-I399 HydrophobicContact CE1-CB 4.47Å; F310-I399 HydrophobicContact CE1-CG2 3.56Å; F310-I399 HydrophobicContact CE2-CD1 4.23Å; F310-I399 HydrophobicContact CE2-CG2 4.18Å; F310-I399 HydrophobicContact CG-CG2 3.99Å; F310-I399 HydrophobicContact CZ-CB 4.28Å; F310-I399 HydrophobicContact CZ-CG2 3.82Å; L347-I399 HydrophobicContact CD1-CD1 3.85Å; L347-I399 HydrophobicContact CD1-CG1 4.37Å; M377-I399 HydrophobicContact CE-CD1 4.48Å; M377-I399 HydrophobicContact CE-CG1 4.46Å; M377-I399 HydrophobicContact CE-CG2 3.57Å; M377-I399 HydrophobicContact SD-CG2 4.04Å; W390-I399 HydrophobicContact CE3-CD1 4.49Å; W390-I399 HydrophobicContact CH2-CD1 4.21Å; W390-I399 HydrophobicContact CZ3-CD1 3.6Å; L395-I399 HydrophobicContact CD1-CD1 4.24Å; L395-I399 HydrophobicContact CD1-CG1 4.38Å; L395-I399 HydrophobicContact CG-CD1 4.03Å; L395-I399 WeakPolarHBondContact O-CG1 3.45Å; L395-I399 PolarHBondContact O-N 2.83Å; T396-I399 PolarHBondContact O-N 3Å; I399-E401 PolarHBondContact O-N 3.49Å; I399-I402 WeakPolarHBondContact O-CB 3.32Å; I399-I402 PolarHBondContact O-N 3.22Å; I399-I403 HydrophobicContact CG2-CD1 3.92Å; I399-I403 PolarHBondContact O-N 3.28Å
400K97.6Very high97Very high25 Ų2545.4 Ų45.411%0.10924%0.237CC..Hα-helixtrans-58.5-46.9175.6-71.6172.657176.80112.5M312 T396 Q397 Q398 I402 I403 Y404 E423 I425M312-K400 HydrophobicContact CE-CB 4.37Å; M312-K400 HydrophobicContact CE-CD 4.47Å; M312-K400 HydrophobicContact CE-CG 3.8Å; M312-K400 HydrophobicContact SD-CG 4.01Å; T396-K400 HydrophobicContact CG2-CD 4.49Å; T396-K400 WeakPolarHBondContact O-CG 3.38Å; T396-K400 PolarHBondContact O-N 3.29Å; Q397-K400 PolarHBondContact O-N 2.73Å; Q398-K400 VanDerWaalsContact C-N 3.33Å; Q398-K400 PolarHBondContact O-N 3.18Å; K400-I402 VanDerWaalsContact C-N 3.27Å; K400-I402 PolarHBondContact O-N 2.92Å; K400-I403 PolarHBondContact O-N 3.02Å; K400-I403 VanDerWaalsContact O-N 3.12Å; K400-Y404 HydrophobicContact CB-CD2 4.45Å; K400-Y404 HydrophobicContact CB-CE2 3.95Å; K400-Y404 WeakPolarHBondContact CE-OH 3.14Å; K400-Y404 WeakPolarHBondContact O-CD2 3.48Å; K400-Y404 VanDerWaalsContact O-CG 3.27Å; K400-Y404 PolarHBondContact O-N 3.16Å; K400-E423 WeakPolarHBondContact CE-OE1 3.19Å; K400-E423 WeakPolarHBondContact CE-OE2 3.24Å; K400-E423 IonicContact NZ-OE1 3.64Å; K400-E423 PolarHBondContact NZ-OE1 3.17Å; K400-E423 IonicContact NZ-OE2 3.72Å; K400-I425 HydrophobicContact CD-CD1 3.91Å; K400-I425 HydrophobicContact CG-CD1 4.31Å
401E97.3Very high96.9Very high70 Ų7052 Ų5233%0.32727%0.268SS..Hα-helixtrans-63.9-32.6178-67.1-55.7144.900112.5Q397 Q398 I399 R405 K417Q397-E401 PolarHBondContact NE2-OE1 2.92Å; Q397-E401 PolarHBondContact O-N 2.75Å; Q397-E401 VanDerWaalsContact O-N 3.09Å; Q398-E401 PolarHBondContact O-N 2.96Å; I399-E401 PolarHBondContact O-N 3.49Å; E401-R405 WeakPolarHBondContact O-CB 3.4Å; E401-R405 PolarHBondContact O-N 2.92Å; E401-R405 VanDerWaalsContact O-N 3.12Å; E401-K417 IonicContact OE2-NZ 3.3Å; E401-K417 PolarHBondContact OE2-NZ 2.86Å
402I97.4Very high97Very high9 Ų949.1 Ų49.15%0.04625%0.247CC..Hα-helixtrans-63.6-48.9171-66.5165.7000110Y349 P351 Q398 I399 K400 R405 K406Y349-I402 HydrophobicContact CD1-CD1 4.29Å; P351-I402 HydrophobicContact CG-CG2 3.63Å; Q398-I402 HydrophobicContact CG-CD1 4.35Å; Q398-I402 WeakPolarHBondContact O-CG1 3.24Å; Q398-I402 PolarHBondContact O-N 3.01Å; Q398-I402 VanDerWaalsContact O-N 3.15Å; I399-I402 WeakPolarHBondContact O-CB 3.32Å; I399-I402 PolarHBondContact O-N 3.22Å; K400-I402 VanDerWaalsContact C-N 3.27Å; K400-I402 PolarHBondContact O-N 2.92Å; I402-R405 PolarHBondContact O-N 3.41Å; I402-K406 WeakPolarHBondContact O-CG 3.35Å; I402-K406 PolarHBondContact O-N 2.94Å
403I97.8Very high97Very high0 Ų045.7 Ų45.70%023%0.228CC..Hα-helixtrans-61.9-46.8179.8-73.2170000111.4F310 M312 V375 M377 I399 K400 R405 K406 L407F310-I403 HydrophobicContact CD1-CD1 3.72Å; F310-I403 HydrophobicContact CE1-CD1 3.85Å; M312-I403 HydrophobicContact CG-CD1 4.06Å; M312-I403 HydrophobicContact SD-CB 3.96Å; M312-I403 HydrophobicContact SD-CD1 3.46Å; M312-I403 WeakPolarHBondContact SD-CD1 3.45Å; M312-I403 HydrophobicContact SD-CG1 4.3Å; M312-I403 HydrophobicContact SD-CG2 3.75Å; V375-I403 HydrophobicContact CB-CG2 4.39Å; V375-I403 HydrophobicContact CG1-CG2 3.85Å; V375-I403 HydrophobicContact CG2-CG2 4.43Å; M377-I403 HydrophobicContact CB-CD1 4.31Å; M377-I403 HydrophobicContact SD-CD1 4.4Å; M377-I403 HydrophobicContact SD-CG1 4.35Å; I399-I403 HydrophobicContact CG2-CD1 3.92Å; I399-I403 PolarHBondContact O-N 3.28Å; K400-I403 PolarHBondContact O-N 3.02Å; K400-I403 VanDerWaalsContact O-N 3.12Å; I403-R405 VanDerWaalsContact C-N 3.29Å; I403-R405 PolarHBondContact O-N 2.95Å; I403-K406 PolarHBondContact O-N 2.94Å; I403-K406 VanDerWaalsContact O-N 3.13Å; I403-L407 HydrophobicContact CG2-CD1 3.92Å; I403-L407 HydrophobicContact CG2-CG 4.19Å; I403-L407 WeakPolarHBondContact O-CG 3.49Å; I403-L407 PolarHBondContact O-N 2.78Å
404Y97.6Very high97Very high17 Ų1744.5 Ų44.57%0.06722%0.223CC..Hα-helixtrans-61.1-39177.9-59.7-42.4000112.1M312 I314 K400 L407 A408 I416 K417 I420 E423M312-Y404 HydrophobicContact CE-CE1 3.8Å; I314-Y404 HydrophobicContact CD1-CE1 4.27Å; K400-Y404 HydrophobicContact CB-CD2 4.45Å; K400-Y404 HydrophobicContact CB-CE2 3.95Å; K400-Y404 WeakPolarHBondContact CE-OH 3.14Å; K400-Y404 WeakPolarHBondContact O-CD2 3.48Å; K400-Y404 VanDerWaalsContact O-CG 3.27Å; K400-Y404 PolarHBondContact O-N 3.16Å; Y404-L407 HydrophobicContact CD1-CD1 4.45Å; Y404-L407 PolarHBondContact O-N 2.6Å; Y404-A408 PolarHBondContact O-N 2.75Å; Y404-A408 VanDerWaalsContact O-N 3.07Å; Y404-I416 HydrophobicContact CD1-CG2 4.33Å; Y404-K417 HydrophobicContact CD1-CG 4.28Å; Y404-K417 HydrophobicContact CD2-CD 3.58Å; Y404-K417 HydrophobicContact CD2-CG 3.83Å; Y404-K417 HydrophobicContact CE2-CD 3.97Å; Y404-K417 HydrophobicContact CE2-CG 4.1Å; Y404-K417 HydrophobicContact CG-CD 4.07Å; Y404-K417 HydrophobicContact CG-CG 3.9Å; Y404-I420 HydrophobicContact CD1-CD1 4.4Å; Y404-I420 HydrophobicContact CE1-CD1 3.5Å; Y404-E423 PolarHBondContact OH-OE2 3.38Å
405R96.6Very high96.9Very high139 Ų13946.2 Ų46.253%0.52522%0.223SC..Hα-helixtrans-63-41.2174.5-178.3175.763.1-108.12.8111.8Y349 E401 I402 I403Y349-R405 PolarHBondContact O-NH2 3.17Å; E401-R405 WeakPolarHBondContact O-CB 3.4Å; E401-R405 PolarHBondContact O-N 2.92Å; E401-R405 VanDerWaalsContact O-N 3.12Å; I402-R405 PolarHBondContact O-N 3.41Å; I403-R405 VanDerWaalsContact C-N 3.29Å; I403-R405 PolarHBondContact O-N 2.95Å
406K96.8Very high96.9Very high13 Ų1345.1 Ų45.16%0.05722%0.217CC..Hα-helixtrans-67.3-41.2174.7-66.3-62-65.8-1750111.6I330 F331 D350 P351 I353 I402 I403 A408 T409I330-K406 WeakPolarHBondContact CD1-O 3.45Å; F331-K406 PolarHBondContact O-NZ 3.41Å; D350-K406 WeakPolarHBondContact OD1-CD 3.31Å; D350-K406 WeakPolarHBondContact OD1-CE 3.19Å; D350-K406 IonicContact OD1-NZ 3.49Å; D350-K406 PolarHBondContact OD1-NZ 3.13Å; P351-K406 VanDerWaalsContact O-CE 3.24Å; P351-K406 WeakPolarHBondContact O-CE 3.24Å; I353-K406 HydrophobicContact CD1-CB 3.51Å; I353-K406 HydrophobicContact CD1-CG 4.47Å; I353-K406 HydrophobicContact CG1-CB 4.06Å; I402-K406 WeakPolarHBondContact O-CG 3.35Å; I402-K406 PolarHBondContact O-N 2.94Å; I403-K406 PolarHBondContact O-N 2.94Å; I403-K406 VanDerWaalsContact O-N 3.13Å; K406-A408 PolarHBondContact O-N 2.73Å; K406-T409 WeakPolarHBondContact O-CB 3.31Å; K406-T409 PolarHBondContact O-N 2.74Å; K406-T409 VanDerWaalsContact O-N 3.07Å; K406-T409 PolarHBondContact O-OG1 2.75Å
407L97.6Very high96.9Very high0 Ų049.3 Ų49.30%023%0.233CC..Hα-helixtrans-60-35.8177.6-72.7174.4000112.2I314 I330 I353 V355 V375 I403 Y404 T409 I410 F413 I416I314-L407 HydrophobicContact CD1-CD1 4.06Å; I330-L407 HydrophobicContact CD1-CD2 4.44Å; I353-L407 HydrophobicContact CD1-CD2 4.16Å; I353-L407 HydrophobicContact CD1-CG 4.32Å; V355-L407 HydrophobicContact CB-CD2 4.47Å; V355-L407 HydrophobicContact CG1-CD2 4.07Å; V355-L407 HydrophobicContact CG2-CD2 3.52Å; V375-L407 HydrophobicContact CG2-CD1 4.13Å; V375-L407 HydrophobicContact CG2-CD2 4.04Å; I403-L407 HydrophobicContact CG2-CD1 3.92Å; I403-L407 HydrophobicContact CG2-CG 4.19Å; I403-L407 WeakPolarHBondContact O-CG 3.49Å; I403-L407 PolarHBondContact O-N 2.78Å; Y404-L407 HydrophobicContact CD1-CD1 4.45Å; Y404-L407 PolarHBondContact O-N 2.6Å; L407-T409 PolarHBondContact O-N 3.37Å; L407-I410 PolarHBondContact O-N 3.48Å; L407-F413 HydrophobicContact CB-CB 4.27Å; L407-F413 HydrophobicContact CD2-CD2 4.37Å; L407-F413 WeakPolarHBondContact O-CB 3.16Å; L407-I416 HydrophobicContact CD1-CD1 3.8Å
408A97Very high96.9Very high28 Ų2848.7 Ų48.723%0.23124%0.238CC..THydrogen-bonded Turntrans-61.4-11176.100000114.4Y404 K406 I410Y404-A408 PolarHBondContact O-N 2.75Å; Y404-A408 VanDerWaalsContact O-N 3.07Å; K406-A408 PolarHBondContact O-N 2.73Å; A408-I410 PolarHBondContact O-N 2.93Å
409T97Very high96.9Very high20 Ų2047 Ų4712%0.12323%0.23CC..THydrogen-bonded Turntrans-63.7-25.6167.6-56.50000112.1Y89 D91 I330 K406 L407Y89-T409 HydrophobicContact CD1-CG2 4.44Å; D91-T409 VanDerWaalsContact C-CG2 3.48Å; I330-T409 HydrophobicContact CG2-CG2 4.16Å; K406-T409 WeakPolarHBondContact O-CB 3.31Å; K406-T409 PolarHBondContact O-N 2.74Å; K406-T409 VanDerWaalsContact O-N 3.07Å; K406-T409 PolarHBondContact O-OG1 2.75Å; L407-T409 PolarHBondContact O-N 3.37Å
410I97Very high97Very high3 Ų349 Ų492%0.01524%0.24CC..SBendtrans-91115.1172.3-53.2-178.9000107.1Y89 V324 N328 I330 L407 A408 V412 F413Y89-I410 HydrophobicContact CD1-CG1 4.18Å; Y89-I410 HydrophobicContact CD2-CD1 4.34Å; Y89-I410 HydrophobicContact CD2-CG1 4.18Å; Y89-I410 HydrophobicContact CE1-CB 4.4Å; Y89-I410 HydrophobicContact CE1-CG1 3.92Å; Y89-I410 HydrophobicContact CE1-CG2 4.37Å; Y89-I410 HydrophobicContact CE2-CD1 3.94Å; Y89-I410 HydrophobicContact CE2-CG1 3.94Å; Y89-I410 HydrophobicContact CG-CG1 4.31Å; V324-I410 HydrophobicContact CG1-CG2 3.84Å; N328-I410 HydrophobicContact CB-CD1 4.2Å; I330-I410 HydrophobicContact CD1-CD1 3.98Å; I330-I410 HydrophobicContact CD1-CG1 4.09Å; I330-I410 HydrophobicContact CG1-CD1 4.34Å; I330-I410 HydrophobicContact CG1-CG1 4.33Å; L407-I410 PolarHBondContact O-N 3.48Å; A408-I410 PolarHBondContact O-N 2.93Å; I410-V412 VanDerWaalsContact C-N 3.26Å; I410-V412 HydrophobicContact CG2-CG1 4.07Å; I410-V412 PolarHBondContact O-N 3.34Å; I410-F413 HydrophobicContact CB-CB 4.5Å; I410-F413 HydrophobicContact CB-CD2 3.74Å; I410-F413 HydrophobicContact CB-CE2 4.39Å; I410-F413 HydrophobicContact CB-CG 4.44Å; I410-F413 HydrophobicContact CD1-CD2 3.91Å; I410-F413 HydrophobicContact CD1-CE2 3.95Å; I410-F413 HydrophobicContact CG1-CD2 4.3Å; I410-F413 HydrophobicContact CG2-CD2 3.95Å; I410-F413 HydrophobicContact CG2-CE2 4.23Å; I410-F413 WeakPolarHBondContact O-CA 3.35Å; I410-F413 WeakPolarHBondContact O-CB 3.44Å; I410-F413 PolarHBondContact O-N 3.45Å
411E95.6Very high97Very high149 Ų14950.9 Ų50.970%0.69625%0.254SS*.G310 helixtrans-42.8-46.6-173.4-174.7-176.2175.200113.9F413 E414E411-F413 PolarHBondContact O-N 3.45Å; E411-F413 VanDerWaalsContact O-N 3.14Å; E411-E414 WeakPolarHBondContact O-CB 3.3Å; E411-E414 PolarHBondContact O-N 2.91Å
412V96Very high97Very high28 Ų2847.8 Ų47.817%0.1724%0.24CC..G310 helixtrans-67.4-15.3-178.675.50000114.3V320 Q323 V324 I410V320-V412 HydrophobicContact CB-CG1 4.2Å; V320-V412 HydrophobicContact CB-CG2 3.87Å; V320-V412 HydrophobicContact CG1-CG1 4.31Å; V320-V412 HydrophobicContact CG1-CG2 3.42Å; V320-V412 VanDerWaalsContact CG1-CG2 3.42Å; Q323-V412 HydrophobicContact CB-CB 4.25Å; Q323-V412 HydrophobicContact CB-CG1 4.4Å; Q323-V412 HydrophobicContact CB-CG2 4.26Å; V324-V412 HydrophobicContact CG1-CG1 3.46Å; V324-V412 VanDerWaalsContact CG1-CG1 3.46Å; I410-V412 VanDerWaalsContact C-N 3.26Å; I410-V412 HydrophobicContact CG2-CG1 4.07Å; I410-V412 PolarHBondContact O-N 3.34Å
413F97.2Very high97.1Very high1 Ų149.5 Ų49.50%0.00425%0.248CC..G310 helixtrans-104.57.2179.6-61-33.8000113.5I316 V320 V324 V355 V357 I373 L407 I410 E411 D415 I416I316-F413 HydrophobicContact CD1-CE1 4.18Å; V320-F413 HydrophobicContact CB-CE1 4.48Å; V320-F413 HydrophobicContact CG1-CE1 4.34Å; V320-F413 HydrophobicContact CG2-CE1 3.86Å; V320-F413 HydrophobicContact CG2-CZ 4.14Å; V324-F413 HydrophobicContact CG1-CE2 4.14Å; V324-F413 HydrophobicContact CG1-CZ 4.02Å; V355-F413 HydrophobicContact CG1-CE2 4.37Å; V357-F413 HydrophobicContact CG2-CZ 4.46Å; I373-F413 HydrophobicContact CD1-CD1 4.13Å; I373-F413 HydrophobicContact CD1-CE1 3.41Å; I373-F413 VanDerWaalsContact CD1-CE1 3.41Å; I373-F413 HydrophobicContact CD1-CE2 4.44Å; I373-F413 HydrophobicContact CD1-CZ 3.61Å; I373-F413 HydrophobicContact CG1-CE1 4.41Å; I373-F413 HydrophobicContact CG1-CZ 4.22Å; L407-F413 HydrophobicContact CB-CB 4.27Å; L407-F413 HydrophobicContact CD2-CD2 4.37Å; L407-F413 WeakPolarHBondContact O-CB 3.16Å; I410-F413 HydrophobicContact CB-CB 4.5Å; I410-F413 HydrophobicContact CB-CD2 3.74Å; I410-F413 HydrophobicContact CB-CE2 4.39Å; I410-F413 HydrophobicContact CB-CG 4.44Å; I410-F413 HydrophobicContact CD1-CD2 3.91Å; I410-F413 HydrophobicContact CD1-CE2 3.95Å; I410-F413 HydrophobicContact CG1-CD2 4.3Å; I410-F413 HydrophobicContact CG2-CD2 3.95Å; I410-F413 HydrophobicContact CG2-CE2 4.23Å; I410-F413 WeakPolarHBondContact O-CA 3.35Å; I410-F413 WeakPolarHBondContact O-CB 3.44Å; I410-F413 PolarHBondContact O-N 3.45Å; E411-F413 PolarHBondContact O-N 3.45Å; E411-F413 VanDerWaalsContact O-N 3.14Å; F413-D415 VanDerWaalsContact C-N 3.29Å; F413-D415 PolarHBondContact O-N 2.9Å; F413-I416 HydrophobicContact CB-CB 4.12Å; F413-I416 HydrophobicContact CB-CD1 4.37Å; F413-I416 HydrophobicContact CD1-CD1 4.05Å; F413-I416 HydrophobicContact CD1-CG1 4.38Å; F413-I416 HydrophobicContact CG-CD1 4.23Å; F413-I416 VanDerWaalsContact O-CB 3.27Å; F413-I416 WeakPolarHBondContact O-CB 3.48Å; F413-I416 WeakPolarHBondContact O-CG2 3.5Å; F413-I416 PolarHBondContact O-N 3.38Å
414E96Very high97.1Very high143 Ų14351.1 Ų51.167%0.66826%0.257SS*.THydrogen-bonded Turntrans-54.4-44.4179.4-170.1-179.8-179.500112.2E411E411-E414 WeakPolarHBondContact O-CB 3.3Å; E411-E414 PolarHBondContact O-N 2.91Å
415D94.9Very high97.1Very high102 Ų10252.4 Ų52.455%0.54527%0.265SS..THydrogen-bonded Turntrans-104.630.7175.2-165.732.6000112.8F413 K417 S418F413-D415 VanDerWaalsContact C-N 3.29Å; F413-D415 PolarHBondContact O-N 2.9Å; D415-K417 PolarHBondContact O-N 2.71Å; D415-S418 PolarHBondContact O-N 3.22Å; D415-S418 VanDerWaalsContact O-N 3.07Å; D415-S418 PolarHBondContact O-OG 3.01Å; D415-S418 VanDerWaalsContact OD2-CB 3.29Å; D415-S418 WeakPolarHBondContact OD2-CB 3.5Å; D415-S418 PolarHBondContact OD2-OG 3.25Å
416I96.8Very high97.1Very high4 Ų446.6 Ų46.62%0.02124%0.244CC..Hα-helixtrans-52.4-34.8-175.4-168.1176.1000112.9I316 I373 Y404 L407 F413 S418 H419 I420I316-I416 HydrophobicContact CG2-CD1 4.39Å; I316-I416 HydrophobicContact CG2-CG1 3.92Å; I373-I416 HydrophobicContact CD1-CD1 3.8Å; Y404-I416 HydrophobicContact CD1-CG2 4.33Å; L407-I416 HydrophobicContact CD1-CD1 3.8Å; F413-I416 HydrophobicContact CB-CB 4.12Å; F413-I416 HydrophobicContact CB-CD1 4.37Å; F413-I416 HydrophobicContact CD1-CD1 4.05Å; F413-I416 HydrophobicContact CD1-CG1 4.38Å; F413-I416 HydrophobicContact CG-CD1 4.23Å; F413-I416 VanDerWaalsContact O-CB 3.27Å; F413-I416 WeakPolarHBondContact O-CB 3.48Å; F413-I416 WeakPolarHBondContact O-CG2 3.5Å; F413-I416 PolarHBondContact O-N 3.38Å; I416-S418 VanDerWaalsContact C-N 3.27Å; I416-S418 PolarHBondContact O-N 3.36Å; I416-H419 PolarHBondContact O-N 3.37Å; I416-I420 WeakPolarHBondContact O-CG1 3.32Å; I416-I420 PolarHBondContact O-N 2.89Å
417K97Very high97.1Very high113 Ų11346.4 Ų46.449%0.49124%0.243SC..Hα-helixtrans-59.3-33.5-177.9-75.4-166.8-79.9-169.40113.3E401 Y404 D415 H419E401-K417 IonicContact OE2-NZ 3.3Å; E401-K417 PolarHBondContact OE2-NZ 2.86Å; Y404-K417 HydrophobicContact CD1-CG 4.28Å; Y404-K417 HydrophobicContact CD2-CD 3.58Å; Y404-K417 HydrophobicContact CD2-CG 3.83Å; Y404-K417 HydrophobicContact CE2-CD 3.97Å; Y404-K417 HydrophobicContact CE2-CG 4.1Å; Y404-K417 HydrophobicContact CG-CD 4.07Å; Y404-K417 HydrophobicContact CG-CG 3.9Å; D415-K417 PolarHBondContact O-N 2.71Å; K417-H419 PolarHBondContact O-N 3.47Å
418S97.4Very high97Very high69 Ų6946.4 Ų46.448%0.48324%0.243SC..Hα-helixtrans-73.2-18.1179.671.60000112.8D415 I416D415-S418 PolarHBondContact O-N 3.22Å; D415-S418 VanDerWaalsContact O-N 3.07Å; D415-S418 PolarHBondContact O-OG 3.01Å; D415-S418 VanDerWaalsContact OD2-CB 3.29Å; D415-S418 WeakPolarHBondContact OD2-CB 3.5Å; D415-S418 PolarHBondContact OD2-OG 3.25Å; I416-S418 VanDerWaalsContact C-N 3.27Å; I416-S418 PolarHBondContact O-N 3.36Å
419H98Very high97Very high51 Ų5147.1 Ų47.124%0.23624%0.244CC..Hα-helixtrans-101.4-7.4-175.7-68.5-68.4000114.5I316 D317 I318 I416 K417 V421I316-H419 CarbonylContact C-O 3.48Å; I316-H419 WeakPolarHBondContact CA-O 3.48Å; I316-H419 HydrophobicContact CB-CB 4.06Å; I316-H419 HydrophobicContact CG2-CB 4.27Å; D317-H419 PolarHBondContact N-O 3.38Å; D317-H419 WeakPolarHBondContact OD1-CA 3.29Å; D317-H419 WeakPolarHBondContact OD1-CB 3.47Å; D317-H419 IonicContact OD1-CE1 3.62Å; D317-H419 IonicContact OD1-CG 2.73Å; D317-H419 IonicContact OD1-ND1 2.64Å; D317-H419 PolarHBondContact OD1-ND1 3Å; I318-H419 HydrophobicContact CG1-CB 4.4Å; I318-H419 WeakPolarHBondContact CG2-ND1 3.47Å; I416-H419 PolarHBondContact O-N 3.37Å; K417-H419 PolarHBondContact O-N 3.47Å; H419-V421 PolarHBondContact O-N 3.19Å
420I98.1Very high96.9Very high45 Ų4548.5 Ų48.523%0.23125%0.25CS..EExtended strand (participates in β ladder)trans-67.9118.7-176.8-58.7-179.4000110.6I314 I316 Y404 I416 E423I314-I420 HydrophobicContact CG2-CB 4.46Å; I314-I420 HydrophobicContact CG2-CD1 4.01Å; I314-I420 HydrophobicContact CG2-CG1 3.79Å; I314-I420 HydrophobicContact CG2-CG2 4.09Å; I316-I420 HydrophobicContact CG2-CG1 4.38Å; Y404-I420 HydrophobicContact CD1-CD1 4.4Å; Y404-I420 HydrophobicContact CE1-CD1 3.5Å; I416-I420 WeakPolarHBondContact O-CG1 3.32Å; I416-I420 PolarHBondContact O-N 2.89Å; I420-E423 HydrophobicContact CG2-CB 4.27Å
421V98.3Very high96.8Very high65 Ų6548.8 Ų48.839%0.39425%0.251SS..EExtended strand (participates in β ladder)trans-115.8-13.6175.3-66.50000113.4F47 G315 D317 H419F47-V421 HydrophobicContact CE2-CG2 3.95Å; F47-V421 HydrophobicContact CZ-CG2 3.93Å; G315-V421 WeakPolarHBondContact O-CG2 3.29Å; G315-V421 PolarHBondContact O-N 3.31Å; D317-V421 HydrophobicContact CB-CG1 3.81Å; D317-V421 HydrophobicContact CB-CG2 4.42Å; H419-V421 PolarHBondContact O-N 3.19Å
422S98.2Very high96.6Very high5 Ų545.1 Ų45.14%0.03523%0.234CC..EExtended strand (participates in β ladder)trans-145139.5172.7-168.20000109.6D45 I314 G315D45-S422 VanDerWaalsContact OD2-CB 3.24Å; D45-S422 WeakPolarHBondContact OD2-CB 3.47Å; D45-S422 PolarHBondContact OD2-OG 3.42Å; I314-S422 CarbonylContact C-O 3.58Å; I314-S422 WeakPolarHBondContact CA-O 3.07Å; G315-S422 PolarHBondContact N-O 2.86Å; G315-S422 PolarHBondContact O-N 3.49Å; G315-S422 VanDerWaalsContact O-N 3.14Å
423E97.8Very high96.4Very high45 Ų4550.2 Ų50.221%0.2126%0.256CS..EExtended strand (participates in β ladder)trans-144.3136.7174.8-175.117777.600110.1K44 M312 Y313 K400 Y404 I420K44-E423 PolarHBondContact NZ-O 2.97Å; M312-E423 HydrophobicContact CE-CG 4.33Å; M312-E423 WeakPolarHBondContact CE-OE2 3.48Å; Y313-E423 CarbonylContact O-C 3.57Å; Y313-E423 VanDerWaalsContact O-CA 3.3Å; Y313-E423 WeakPolarHBondContact O-CA 3.41Å; K400-E423 WeakPolarHBondContact CE-OE1 3.19Å; K400-E423 WeakPolarHBondContact CE-OE2 3.24Å; K400-E423 IonicContact NZ-OE1 3.64Å; K400-E423 PolarHBondContact NZ-OE1 3.17Å; K400-E423 IonicContact NZ-OE2 3.72Å; Y404-E423 PolarHBondContact OH-OE2 3.38Å; I420-E423 HydrophobicContact CG2-CB 4.27Å
424T97.7Very high96Very high33 Ų3352.4 Ų52.420%0.20227%0.27CS..EExtended strand (participates in β ladder)trans-140.6141.5170.7-53.20000109.5L42 K44 M312 Y313L42-T424 HydrophobicContact CD2-CG2 3.75Å; K44-T424 WeakPolarHBondContact CD-OG1 3.36Å; K44-T424 PolarHBondContact NZ-OG1 2.9Å; K44-T424 VanDerWaalsContact NZ-OG1 3.1Å; M312-T424 WeakPolarHBondContact CA-O 3.32Å; Y313-T424 HydrophobicContact CD2-CG2 4.3Å; Y313-T424 PolarHBondContact N-O 3.24Å; Y313-T424 PolarHBondContact O-N 3.23Å
425I97.5Very high95.6Very high45 Ų4546.8 Ų46.823%0.23124%0.243CC..EExtended strand (participates in β ladder)trans-113.7144.6-179.7-59.9171.3000108.5F310 L311 T396 K400 T427F310-I425 HydrophobicContact CD2-CG2 4.16Å; F310-I425 HydrophobicContact CE1-CG2 4Å; F310-I425 HydrophobicContact CE2-CG2 3.4Å; F310-I425 VanDerWaalsContact CE2-CG2 3.4Å; F310-I425 HydrophobicContact CZ-CB 4.44Å; F310-I425 HydrophobicContact CZ-CD1 4.17Å; F310-I425 HydrophobicContact CZ-CG1 4.32Å; F310-I425 HydrophobicContact CZ-CG2 3.31Å; L311-I425 CarbonylContact O-C 3.57Å; L311-I425 WeakPolarHBondContact O-CA 3.46Å; T396-I425 HydrophobicContact CG2-CD1 3.32Å; K400-I425 HydrophobicContact CD-CD1 3.91Å; K400-I425 HydrophobicContact CG-CD1 4.31Å; I425-T427 HydrophobicContact CG2-CG2 3.79Å
426F96.9Very high95.3Very high16 Ų1645.6 Ų45.67%0.0723%0.234CC..EExtended strand (participates in β ladder)trans-138.7120.7173.2-163.6-81.6000109.3M51 L311 Y313 D430 F431 T434 Y435M51-F426 HydrophobicContact CE-CD2 3.87Å; M51-F426 HydrophobicContact CE-CE2 3.71Å; L311-F426 HydrophobicContact CB-CB 4.09Å; L311-F426 HydrophobicContact CD1-CB 4.42Å; L311-F426 HydrophobicContact CD1-CD1 4.33Å; L311-F426 PolarHBondContact N-O 3.28Å; L311-F426 PolarHBondContact O-N 3.46Å; Y313-F426 HydrophobicContact CE2-CB 3.92Å; F426-D430 HydrophobicContact CD1-CB 3.67Å; F426-D430 HydrophobicContact CD2-CB 3.62Å; F426-D430 HydrophobicContact CE1-CB 3.58Å; F426-D430 HydrophobicContact CE2-CB 3.54Å; F426-D430 HydrophobicContact CG-CB 3.69Å; F426-D430 VanDerWaalsContact CZ-C 3.43Å; F426-D430 HydrophobicContact CZ-CB 3.52Å; F426-D430 WeakPolarHBondContact CZ-O 3.47Å; F426-F431 HydrophobicContact CD1-CD1 4.48Å; F426-F431 AromaticContact CD1-CD2 3.98Å; F426-F431 HydrophobicContact CD1-CD2 3.98Å; F426-F431 HydrophobicContact CD1-CE1 4.37Å; F426-F431 AromaticContact CD1-CE2 3.86Å; F426-F431 HydrophobicContact CD1-CE2 3.86Å; F426-F431 HydrophobicContact CD1-CG 4.29Å; F426-F431 HydrophobicContact CD1-CZ 4.07Å; F426-F431 HydrophobicContact CE1-CB 4.27Å; F426-F431 AromaticContact CE1-CD1 3.73Å; F426-F431 HydrophobicContact CE1-CD1 3.73Å; F426-F431 AromaticContact CE1-CD2 3.84Å; F426-F431 HydrophobicContact CE1-CD2 3.84Å; F426-F431 AromaticContact CE1-CE1 3.93Å; F426-F431 HydrophobicContact CE1-CE1 3.93Å; F426-F431 HydrophobicContact CE1-CE2 4.04Å; F426-F431 AromaticContact CE1-CG 3.67Å; F426-F431 HydrophobicContact CE1-CG 3.67Å; F426-F431 HydrophobicContact CE1-CZ 4.09Å; F426-T434 HydrophobicContact CZ-CG2 4.47Å; F426-Y435 HydrophobicContact CE1-CE2 4.29Å; F426-Y435 HydrophobicContact CZ-CD2 4.38Å; F426-Y435 AromaticContact CZ-CE2 3.86Å; F426-Y435 HydrophobicContact CZ-CE2 3.86Å
427T97Very high95Very high9 Ų945.4 Ų45.46%0.05523%0.233CC..  trans-111.8173.2-16769.30000111.3F310 W390 I425 N429 D430 F431F310-T427 HydrophobicContact CD2-CG2 3.99Å; F310-T427 HydrophobicContact CE2-CG2 3.98Å; W390-T427 HydrophobicContact CE3-CG2 4.19Å; I425-T427 HydrophobicContact CG2-CG2 3.79Å; T427-N429 PolarHBondContact O-N 3.25Å; T427-N429 PolarHBondContact OG1-N 2.52Å; T427-D430 WeakPolarHBondContact CB-OD2 3.46Å; T427-D430 PolarHBondContact N-OD2 3.42Å; T427-D430 WeakPolarHBondContact O-CB 3.48Å; T427-D430 PolarHBondContact O-N 2.57Å; T427-D430 PolarHBondContact OG1-OD2 3.49Å; T427-F431 VanDerWaalsContact O-CD2 3.3Å; T427-F431 WeakPolarHBondContact O-CD2 3.25Å; T427-F431 PolarHBondContact O-N 2.87Å; T427-F431 VanDerWaalsContact O-N 3.1Å
428P96.6Very high94.9Very high0 Ų041.8 Ų41.80%022%0.217CC..Hα-helixtrans-53-34.3170.6-28.738.2000114.1S308 L382 W390 D430 F431 E432 G440S308-P428 WeakPolarHBondContact OG-CA 3.48Å; S308-P428 WeakPolarHBondContact OG-CB 3.12Å; S308-P428 VanDerWaalsContact OG-CG 3.29Å; S308-P428 WeakPolarHBondContact OG-CG 3.43Å; L382-P428 HydrophobicContact CD2-CB 3.74Å; L382-P428 HydrophobicContact CG-CB 4Å; W390-P428 HydrophobicContact CD2-CG 4.09Å; W390-P428 VanDerWaalsContact CE2-CG 3.48Å; W390-P428 HydrophobicContact CH2-CG 4.3Å; W390-P428 HydrophobicContact CZ2-CG 3.6Å; P428-D430 VanDerWaalsContact C-N 3.35Å; P428-F431 PolarHBondContact O-N 3.5Å; P428-E432 PolarHBondContact O-N 2.87Å; P428-G440 WeakPolarHBondContact O-CA 3.3Å
429N96.7Very high94.7Very high44 Ų4440.2 Ų40.224%0.23520%0.201CC..Hα-helixtrans-63.1-41.5173.9-78-6.4000111.7L382 T427 F431 E432 Q433L382-N429 WeakPolarHBondContact CD2-OD1 3.24Å; T427-N429 PolarHBondContact O-N 3.25Å; T427-N429 PolarHBondContact OG1-N 2.52Å; N429-F431 VanDerWaalsContact C-N 3.34Å; N429-F431 PolarHBondContact O-N 2.81Å; N429-E432 PolarHBondContact O-N 2.8Å; N429-Q433 WeakPolarHBondContact O-CG 3.34Å; N429-Q433 PolarHBondContact O-N 2.91Å
430D95.2Very high94.5Very high48 Ų4837.8 Ų37.826%0.25719%0.19SC..Hα-helixtrans-68-34.8179.6-57.3-65.9000111.6F426 T427 P428 T434F426-D430 HydrophobicContact CD1-CB 3.67Å; F426-D430 HydrophobicContact CD2-CB 3.62Å; F426-D430 HydrophobicContact CE1-CB 3.58Å; F426-D430 HydrophobicContact CE2-CB 3.54Å; F426-D430 HydrophobicContact CG-CB 3.69Å; F426-D430 VanDerWaalsContact CZ-C 3.43Å; F426-D430 HydrophobicContact CZ-CB 3.52Å; F426-D430 WeakPolarHBondContact CZ-O 3.47Å; T427-D430 WeakPolarHBondContact CB-OD2 3.46Å; T427-D430 PolarHBondContact N-OD2 3.42Å; T427-D430 WeakPolarHBondContact O-CB 3.48Å; T427-D430 PolarHBondContact O-N 2.57Å; T427-D430 PolarHBondContact OG1-OD2 3.49Å; P428-D430 VanDerWaalsContact C-N 3.35Å; D430-T434 WeakPolarHBondContact O-CB 3.33Å; D430-T434 PolarHBondContact O-N 2.87Å; D430-T434 PolarHBondContact O-OG1 3.01Å
431F93.2Very high94.3Very high10 Ų1035.7 Ų35.74%0.04418%0.179CC..Hα-helixtrans-60.5-44.9172-79.7-72000111.9A309 L311 F426 T427 P428 N429 Y435 A437 G440 A442A309-F431 HydrophobicContact CB-CE2 4.03Å; A309-F431 HydrophobicContact CB-CZ 4.28Å; A309-F431 WeakPolarHBondContact O-CE2 3.36Å; L311-F431 HydrophobicContact CD1-CE2 4.38Å; L311-F431 HydrophobicContact CD1-CZ 3.8Å; L311-F431 HydrophobicContact CG-CE2 4.45Å; L311-F431 HydrophobicContact CG-CZ 4.27Å; F426-F431 HydrophobicContact CD1-CD1 4.48Å; F426-F431 AromaticContact CD1-CD2 3.98Å; F426-F431 HydrophobicContact CD1-CD2 3.98Å; F426-F431 HydrophobicContact CD1-CE1 4.37Å; F426-F431 AromaticContact CD1-CE2 3.86Å; F426-F431 HydrophobicContact CD1-CE2 3.86Å; F426-F431 HydrophobicContact CD1-CG 4.29Å; F426-F431 HydrophobicContact CD1-CZ 4.07Å; F426-F431 HydrophobicContact CE1-CB 4.27Å; F426-F431 AromaticContact CE1-CD1 3.73Å; F426-F431 HydrophobicContact CE1-CD1 3.73Å; F426-F431 AromaticContact CE1-CD2 3.84Å; F426-F431 HydrophobicContact CE1-CD2 3.84Å; F426-F431 AromaticContact CE1-CE1 3.93Å; F426-F431 HydrophobicContact CE1-CE1 3.93Å; F426-F431 HydrophobicContact CE1-CE2 4.04Å; F426-F431 AromaticContact CE1-CG 3.67Å; F426-F431 HydrophobicContact CE1-CG 3.67Å; F426-F431 HydrophobicContact CE1-CZ 4.09Å; T427-F431 VanDerWaalsContact O-CD2 3.3Å; T427-F431 WeakPolarHBondContact O-CD2 3.25Å; T427-F431 PolarHBondContact O-N 2.87Å; T427-F431 VanDerWaalsContact O-N 3.1Å; P428-F431 PolarHBondContact O-N 3.5Å; N429-F431 VanDerWaalsContact C-N 3.34Å; N429-F431 PolarHBondContact O-N 2.81Å; F431-Y435 HydrophobicContact CD1-CD2 4.08Å; F431-Y435 HydrophobicContact CD1-CE2 4.35Å; F431-Y435 PolarHBondContact O-N 3.36Å; F431-Y435 VanDerWaalsContact O-N 3.16Å; F431-A437 HydrophobicContact CB-CB 4.38Å; F431-A437 WeakPolarHBondContact O-CB 3.37Å; F431-A437 PolarHBondContact O-N 3.04Å; F431-G440 WeakPolarHBondContact CB-O 3.45Å; F431-A442 HydrophobicContact CD1-CB 4.45Å; F431-A442 HydrophobicContact CE1-CB 4.05Å; F431-A442 HydrophobicContact CE2-CB 4.14Å; F431-A442 HydrophobicContact CZ-CB 3.87Å
432E93Very high93.9Very high71 Ų7133.2 Ų33.233%0.33217%0.166SC..Hα-helixtrans-66-47.7178.8-172.8167.6-108.300111.4L382 P428 N429 H436 A437 F439L382-E432 HydrophobicContact CD1-CB 4.18Å; P428-E432 PolarHBondContact O-N 2.87Å; N429-E432 PolarHBondContact O-N 2.8Å; E432-H436 WeakPolarHBondContact O-CA 3.24Å; E432-H436 PolarHBondContact O-N 3.07Å; E432-A437 WeakPolarHBondContact CA-O 3.2Å; E432-F439 WeakPolarHBondContact OE1-CA 3.41Å; E432-F439 PolarHBondContact OE1-N 2.75Å; E432-F439 VanDerWaalsContact OE1-N 3.1Å
433Q91.7Very high93.3Very high136 Ų13635.1 Ų35.164%0.63617%0.173SC*.Hα-helixtrans-69.9-45.6-177.6-67.6176.516.300112.7N429N429-Q433 WeakPolarHBondContact O-CG 3.34Å; N429-Q433 PolarHBondContact O-N 2.91Å
434T88.4Confident92.8Very high47 Ų4733 Ų3329%0.28816%0.163SC..Hα-helixtrans-75.5-41.7-173.5-55.10000111.9K31 F426 D430K31-T434 WeakPolarHBondContact CE-O 3.36Å; K31-T434 PolarHBondContact NZ-O 3.13Å; F426-T434 HydrophobicContact CZ-CG2 4.47Å; D430-T434 WeakPolarHBondContact O-CB 3.33Å; D430-T434 PolarHBondContact O-N 2.87Å; D430-T434 PolarHBondContact O-OG1 3.01Å
435Y86.9Confident92.5Very high25 Ų2531.4 Ų31.410%0.09815%0.154CC..Hα-helixtrans-113.52.6-170.3-58.7-58.6000114.6G37 R38 F426 F431 A437G37-Y435 VanDerWaalsContact O-CE1 3.23Å; G37-Y435 WeakPolarHBondContact O-CE1 3.44Å; R38-Y435 HydrophobicContact CG-CD1 3.9Å; R38-Y435 HydrophobicContact CG-CD2 3.99Å; R38-Y435 HydrophobicContact CG-CE1 4.15Å; R38-Y435 HydrophobicContact CG-CE2 4.2Å; R38-Y435 HydrophobicContact CG-CG 3.82Å; F426-Y435 HydrophobicContact CE1-CE2 4.29Å; F426-Y435 HydrophobicContact CZ-CD2 4.38Å; F426-Y435 AromaticContact CZ-CE2 3.86Å; F426-Y435 HydrophobicContact CZ-CE2 3.86Å; F431-Y435 HydrophobicContact CD1-CD2 4.08Å; F431-Y435 HydrophobicContact CD1-CE2 4.35Å; F431-Y435 PolarHBondContact O-N 3.36Å; F431-Y435 VanDerWaalsContact O-N 3.16Å; Y435-A437 PolarHBondContact O-N 2.82Å
436H89.6Confident92Very high77 Ų7730.8 Ų30.836%0.35615%0.15SC..  trans49.337.2-167.5-53-57.3000111.3K31 E244 S280 E432 K438K31-H436 VanDerWaalsContact CD-NE2 3.32Å; K31-H436 WeakPolarHBondContact CD-NE2 3.33Å; K31-H436 VanDerWaalsContact CE-CD2 3.45Å; K31-H436 WeakPolarHBondContact CE-CD2 3.49Å; K31-H436 VanDerWaalsContact CE-NE2 3.27Å; K31-H436 WeakPolarHBondContact CE-NE2 3.35Å; E244-H436 IonicContact OE1-NE2 3.79Å; S280-H436 PolarHBondContact OG-O 3.34Å; E432-H436 WeakPolarHBondContact O-CA 3.24Å; E432-H436 PolarHBondContact O-N 3.07Å; H436-K438 PolarHBondContact O-N 2.85Å
437A90.4Very high91.2Very high0 Ų030.8 Ų30.80%015%0.152CC..  trans-76.2109.6175.700000107.7F431 E432 Y435 F439 G440F431-A437 HydrophobicContact CB-CB 4.38Å; F431-A437 WeakPolarHBondContact O-CB 3.37Å; F431-A437 PolarHBondContact O-N 3.04Å; E432-A437 WeakPolarHBondContact CA-O 3.2Å; Y435-A437 PolarHBondContact O-N 2.82Å; A437-F439 PolarHBondContact O-N 3.19Å; A437-G440 WeakPolarHBondContact O-CA 3.15Å; A437-G440 PolarHBondContact O-N 2.88Å
438K93.3Very high90.6Very high37 Ų3731.7 Ų31.716%0.16116%0.158CC..G310 helixtrans-54.8129-176.8-175.466.7169-164.70110.5P279 E283 Y305 H436 G440 S441P279-K438 HydrophobicContact CB-CB 3.9Å; P279-K438 HydrophobicContact CB-CG 4.2Å; E283-K438 WeakPolarHBondContact OE1-CE 3.35Å; E283-K438 IonicContact OE1-NZ 2.9Å; E283-K438 PolarHBondContact OE1-NZ 3.07Å; E283-K438 WeakPolarHBondContact OE2-CE 3.41Å; E283-K438 IonicContact OE2-NZ 2.8Å; E283-K438 PolarHBondContact OE2-NZ 2.8Å; Y305-K438 HydrophobicContact CD1-CB 4.49Å; Y305-K438 HydrophobicContact CE1-CB 3.66Å; Y305-K438 HydrophobicContact CE1-CG 3.8Å; Y305-K438 HydrophobicContact CE2-CG 4.39Å; Y305-K438 WeakPolarHBondContact OH-CG 3.47Å; H436-K438 PolarHBondContact O-N 2.85Å; K438-G440 PolarHBondContact O-N 2.71Å; K438-S441 PolarHBondContact O-N 3.36Å; K438-S441 PolarHBondContact O-OG 3.01Å
439F94.8Very high89.7Confident36 Ų3635.7 Ų35.716%0.15818%0.178CC..G310 helixtrans56.126.1-174.8-50.5-54.7000114.6Y305 E381 L382 K383 E432 A437 S441Y305-F439 AromaticContact CD2-CD2 3.54Å; Y305-F439 HydrophobicContact CD2-CD2 3.54Å; Y305-F439 AromaticContact CD2-CE2 3.87Å; Y305-F439 HydrophobicContact CD2-CE2 3.87Å; Y305-F439 AromaticContact CE2-CD2 3.6Å; Y305-F439 HydrophobicContact CE2-CD2 3.6Å; Y305-F439 AromaticContact CE2-CE2 3.55Å; Y305-F439 HydrophobicContact CE2-CE2 3.55Å; Y305-F439 HydrophobicContact CG-CD2 4.02Å; E381-F439 WeakPolarHBondContact CB-O 3.23Å; E381-F439 WeakPolarHBondContact OE2-CB 3.28Å; L382-F439 HydrophobicContact CB-CB 4.2Å; L382-F439 WeakPolarHBondContact CB-O 3.13Å; L382-F439 WeakPolarHBondContact CG-O 3.1Å; L382-F439 PolarHBondContact N-O 3.39Å; K383-F439 HydrophobicContact CB-CB 4.31Å; K383-F439 HydrophobicContact CB-CD1 3.97Å; K383-F439 HydrophobicContact CB-CD2 3.92Å; K383-F439 HydrophobicContact CB-CE1 4.2Å; K383-F439 HydrophobicContact CB-CE2 4.17Å; K383-F439 HydrophobicContact CB-CG 3.83Å; K383-F439 HydrophobicContact CB-CZ 4.3Å; K383-F439 HydrophobicContact CD-CD2 4.28Å; K383-F439 HydrophobicContact CD-CE2 3.8Å; K383-F439 HydrophobicContact CD-CZ 4.04Å; E432-F439 WeakPolarHBondContact OE1-CA 3.41Å; E432-F439 PolarHBondContact OE1-N 2.75Å; E432-F439 VanDerWaalsContact OE1-N 3.1Å; A437-F439 PolarHBondContact O-N 3.19Å; F439-S441 PolarHBondContact O-N 2.84Å; F439-S441 VanDerWaalsContact O-N 3.17Å
440G94.2Very high89.2Confident0 Ų037.1 Ų37.10%020%0.196CC..G310 helixtrans65.816.5-179.500000114.1S308 P428 F431 A437 K438 A442S308-G440 VanDerWaalsContact CB-O 3.28Å; S308-G440 WeakPolarHBondContact CB-O 3.29Å; S308-G440 PolarHBondContact OG-O 2.91Å; P428-G440 WeakPolarHBondContact O-CA 3.3Å; F431-G440 WeakPolarHBondContact CB-O 3.45Å; A437-G440 WeakPolarHBondContact O-CA 3.15Å; A437-G440 PolarHBondContact O-N 2.88Å; K438-G440 PolarHBondContact O-N 2.71Å; G440-A442 PolarHBondContact O-N 2.85Å
441S93.2Very high88.9Confident0 Ų035.4 Ų35.40%019%0.187CC..  trans-63.2116.7-177.456.30000111.8Y305 K438 F439 F443 G444Y305-S441 WeakPolarHBondContact CD1-OG 3.12Å; K438-S441 PolarHBondContact O-N 3.36Å; K438-S441 PolarHBondContact O-OG 3.01Å; F439-S441 PolarHBondContact O-N 2.84Å; F439-S441 VanDerWaalsContact O-N 3.17Å; S441-F443 VanDerWaalsContact C-N 3.28Å; S441-F443 PolarHBondContact O-N 2.81Å; S441-G444 PolarHBondContact O-N 2.81Å
442A89.6Confident88.5Confident13 Ų1335.7 Ų35.711%0.10719%0.19CC..THydrogen-bonded Turntrans-67.9-31.7-174.100000111.8C307 A309 F431 G440C307-A442 PolarHBondContact O-N 3.41Å; A309-A442 HydrophobicContact CB-CB 4.22Å; F431-A442 HydrophobicContact CD1-CB 4.45Å; F431-A442 HydrophobicContact CE1-CB 4.05Å; F431-A442 HydrophobicContact CE2-CB 4.14Å; F431-A442 HydrophobicContact CZ-CB 3.87Å; G440-A442 PolarHBondContact O-N 2.85Å
443F85.8Confident88.3Confident45 Ų4533.9 Ų33.920%0.19718%0.182CC..THydrogen-bonded Turntrans-110.99.1-176.7-43.7-86.6000113.5Y190 S306 L376 S441 A478Y190-F443 WeakPolarHBondContact O-CD1 3.49Å; S306-F443 WeakPolarHBondContact OG-CA 3.38Å; S306-F443 VanDerWaalsContact OG-CB 3.31Å; S306-F443 WeakPolarHBondContact OG-CB 3.35Å; S306-F443 PolarHBondContact OG-N 3.47Å; L376-F443 HydrophobicContact CD1-CZ 4.49Å; S441-F443 VanDerWaalsContact C-N 3.28Å; S441-F443 PolarHBondContact O-N 2.81Å; F443-A478 WeakPolarHBondContact O-CB 3.24Å
444G87.2Confident88.1Confident0 Ų029 Ų290%016%0.159CC..  trans73-147.517900000114.1S306 S441 M446S306-G444 WeakPolarHBondContact CB-O 3.24Å; S306-G444 PolarHBondContact N-O 2.97Å; S306-G444 PolarHBondContact OG-N 2.88Å; S306-G444 VanDerWaalsContact OG-N 3.16Å; S306-G444 PolarHBondContact OG-O 3.01Å; S441-G444 PolarHBondContact O-N 2.81Å; G444-M446 PolarHBondContact O-N 3.36Å
445L90.3Very high88.2Confident1 Ų131.8 Ų31.81%0.00516%0.164CC..BIsolated β-bridgetrans-64125.9180-70.7-179.3000112.2P279 L303 Y305 R456 P457 S473P279-L445 HydrophobicContact CG-CD2 4.19Å; P279-L445 HydrophobicContact CG-CG 4.29Å; L303-L445 HydrophobicContact CB-CD2 3.73Å; L303-L445 HydrophobicContact CD1-CD1 3.99Å; L303-L445 HydrophobicContact CD1-CD2 3.61Å; L303-L445 HydrophobicContact CD1-CG 4.47Å; L303-L445 HydrophobicContact CG-CD2 4.26Å; Y305-L445 HydrophobicContact CD1-CD2 3.95Å; Y305-L445 HydrophobicContact CE1-CD2 3.53Å; Y305-L445 HydrophobicContact CE2-CD2 4.31Å; L445-R456 PolarHBondContact O-NH1 3.47Å; L445-R456 PolarHBondContact O-NH2 2.95Å; L445-P457 HydrophobicContact CD1-CG 4.08Å; L445-S473 WeakPolarHBondContact CD1-O 3.36Å
446M88.2Confident88.5Confident32 Ų3230.7 Ų30.716%0.15816%0.16CC..  trans-56.3129.7179.1-166.8-174.9-66.200109.9I193 D304 Y305 F343 G444 T448 Q451I193-M446 HydrophobicContact CG2-CG 3.83Å; D304-M446 HydrophobicContact CB-CB 3.9Å; D304-M446 HydrophobicContact CB-SD 4.37Å; D304-M446 WeakPolarHBondContact O-CB 3.36Å; D304-M446 PolarHBondContact O-N 2.96Å; Y305-M446 WeakPolarHBondContact O-CE 3.32Å; F343-M446 HydrophobicContact CD1-CE 4.17Å; F343-M446 HydrophobicContact CE1-CE 3.73Å; G444-M446 PolarHBondContact O-N 3.36Å; M446-T448 HydrophobicContact CB-CG2 4.2Å; M446-T448 HydrophobicContact CG-CG2 3.83Å; M446-T448 PolarHBondContact O-N 3.43Å; M446-T448 HydrophobicContact SD-CG2 3.62Å; M446-Q451 PolarHBondContact O-NE2 2.82Å
447P81Confident88.7Confident15 Ų1527.1 Ų27.110%0.09714%0.144CC..  trans-84.868.1-175.840.8-42.4000110.1I191 I193 Y202I191-P447 HydrophobicContact CB-CG 4.49Å; I191-P447 HydrophobicContact CD1-CG 3.93Å; I193-P447 HydrophobicContact CG2-CG 3.77Å; Y202-P447 HydrophobicContact CE1-CB 4.29Å; Y202-P447 HydrophobicContact CE1-CG 4.13Å; Y202-P447 HydrophobicContact CE2-CG 4.36Å; Y202-P447 VanDerWaalsContact CE2-O 3.27Å; Y202-P447 WeakPolarHBondContact CE2-O 3.45Å; Y202-P447 WeakPolarHBondContact OH-CB 3.2Å; Y202-P447 PolarHBondContact OH-O 3Å
448T83.3Confident88.9Confident29 Ų2927.8 Ų27.818%0.17815%0.147CC..  trans-82163.117270.80000110.3D304 M446 A450 Q451 S452D304-T448 HydrophobicContact CB-CG2 4.33Å; M446-T448 HydrophobicContact CB-CG2 4.2Å; M446-T448 HydrophobicContact CG-CG2 3.83Å; M446-T448 PolarHBondContact O-N 3.43Å; M446-T448 HydrophobicContact SD-CG2 3.62Å; T448-A450 PolarHBondContact O-N 2.83Å; T448-Q451 CarbonylContact O-C 3.57Å; T448-Q451 PolarHBondContact O-N 2.83Å; T448-Q451 WeakPolarHBondContact OG1-CG 3.42Å; T448-Q451 PolarHBondContact OG1-N 2.93Å; T448-S452 VanDerWaalsContact O-CB 3.29Å; T448-S452 WeakPolarHBondContact O-CB 3.35Å; T448-S452 PolarHBondContact O-N 3.17Å; T448-S452 PolarHBondContact O-OG 2.58Å
449L78.7Confident89.1Confident84 Ų8426 Ų2644%0.4414%0.139SC..G310 helixtrans-57.8-36.7174.9-66.5178.4000112.1P199 Q451 S452P199-L449 HydrophobicContact CB-CD2 4.11Å; P199-L449 HydrophobicContact CG-CD2 3.74Å; P199-L449 HydrophobicContact CG-CG 3.8Å; L449-Q451 PolarHBondContact O-N 2.92Å; L449-S452 PolarHBondContact O-N 2.85Å
450A84.6Confident89.2Confident74 Ų7425 Ų2561%0.61214%0.136SC*.G310 helixtrans-71.8-15.2177.700000113.5T448 Y455T448-A450 PolarHBondContact O-N 2.83Å; A450-Y455 WeakPolarHBondContact O-CB 3.46Å
451Q89Confident89.2Confident12 Ų1225.7 Ų25.76%0.05614%0.141CC..G310 helixtrans-120.323.8177.8-56.8-164.514600113L303 D304 M446 T448 L449 R456L303-Q451 VanDerWaalsContact CD2-OE1 3.3Å; D304-Q451 PolarHBondContact O-NE2 2.93Å; M446-Q451 PolarHBondContact O-NE2 2.82Å; T448-Q451 CarbonylContact O-C 3.57Å; T448-Q451 PolarHBondContact O-N 2.83Å; T448-Q451 WeakPolarHBondContact OG1-CG 3.42Å; T448-Q451 PolarHBondContact OG1-N 2.93Å; L449-Q451 PolarHBondContact O-N 2.92Å; Q451-R456 VanDerWaalsContact O-CB 3.32Å; Q451-R456 WeakPolarHBondContact O-CB 3.34Å; Q451-R456 WeakPolarHBondContact O-CD 3.3Å; Q451-R456 WeakPolarHBondContact O-CG 3.2Å; Q451-R456 PolarHBondContact O-NH1 2.71Å
452S86.1Confident89.2Confident15 Ų1530 Ų3011%0.10516%0.157CC..SBendtrans-116163.6178.7-68.30000111.9T448 L449 Y454 Y455T448-S452 VanDerWaalsContact O-CB 3.29Å; T448-S452 WeakPolarHBondContact O-CB 3.35Å; T448-S452 PolarHBondContact O-N 3.17Å; T448-S452 PolarHBondContact O-OG 2.58Å; L449-S452 PolarHBondContact O-N 2.85Å; S452-Y454 PolarHBondContact O-N 2.82Å; S452-Y455 PolarHBondContact O-N 2.73Å
453N87.6Confident89.4Confident33 Ų3330.9 Ų30.918%0.17616%0.16CC..G310 helixtrans48.7-125.8176.9-59.6-35.2000112.7Y143 F149 Y455 R456 Q458Y143-N453 HydrophobicContact CE2-CB 3.94Å; F149-N453 HydrophobicContact CD2-CB 4.07Å; F149-N453 HydrophobicContact CE2-CB 3.52Å; F149-N453 HydrophobicContact CZ-CB 4.18Å; N453-Y455 PolarHBondContact O-N 2.77Å; N453-R456 PolarHBondContact O-N 2.95Å; N453-Q458 PolarHBondContact O-NE2 2.75Å
454Y88.3Confident89.9Confident35 Ų3529.4 Ų29.414%0.13715%0.153CC..G310 helixtrans-58.1-27.3-179.2-179.9-97.8000114.4P146 F149 S452 Q458 R462P146-Y454 HydrophobicContact CB-CE2 4.37Å; P146-Y454 HydrophobicContact CG-CE2 4.38Å; P146-Y454 WeakPolarHBondContact CG-OH 3.49Å; F149-Y454 HydrophobicContact CB-CD2 4.14Å; F149-Y454 HydrophobicContact CB-CG 4.14Å; F149-Y454 HydrophobicContact CG-CG 4.41Å; S452-Y454 PolarHBondContact O-N 2.82Å; Y454-Q458 PolarHBondContact O-NE2 3.35Å; Y454-R462 VanDerWaalsContact CD2-NH2 3.26Å; Y454-R462 VanDerWaalsContact CZ-NH1 3.34Å; Y454-R462 PolarHBondContact OH-NH1 3.24Å; Y454-R462 VanDerWaalsContact OH-NH1 3.11Å
455Y90.2Very high90.3Very high105 Ų10534.9 Ų34.941%0.41218%0.177SC..G310 helixtrans-84.3-25.1-174-61.7-68.9000113.5Y150 K294 Y295 A450 S452 N453Y150-Y455 PolarHBondContact OH-OH 3.3Å; K294-Y455 PolarHBondContact NZ-O 3.12Å; Y295-Y455 PolarHBondContact OH-O 3.21Å; A450-Y455 WeakPolarHBondContact O-CB 3.46Å; S452-Y455 PolarHBondContact O-N 2.73Å; N453-Y455 PolarHBondContact O-N 2.77Å
456R92.7Very high90.6Very high1 Ų135.4 Ų35.40%0.00418%0.18CC..SBendtrans-63.6157172.8-159.1164.6-173.190.1-7111.4Y295 L445 Q451 N453 Q458 A472 T474Y295-R456 PolarHBondContact OH-O 3.43Å; L445-R456 PolarHBondContact O-NH1 3.47Å; L445-R456 PolarHBondContact O-NH2 2.95Å; Q451-R456 VanDerWaalsContact O-CB 3.32Å; Q451-R456 WeakPolarHBondContact O-CB 3.34Å; Q451-R456 WeakPolarHBondContact O-CD 3.3Å; Q451-R456 WeakPolarHBondContact O-CG 3.2Å; Q451-R456 PolarHBondContact O-NH1 2.71Å; N453-R456 PolarHBondContact O-N 2.95Å; R456-Q458 PolarHBondContact O-N 3.26Å; R456-Q458 PolarHBondContact O-NE2 3.11Å; R456-A472 PolarHBondContact NH2-O 2.98Å; R456-T474 PolarHBondContact NE-O 3.33Å; R456-T474 VanDerWaalsContact NE-O 3.16Å
457P94.3Very high91.1Very high3 Ų334 Ų342%0.01917%0.173CC..  trans-49139.2162.8-29.736.6000111.8F278 Y295 L445 S473 T474 H475F278-P457 HydrophobicContact CB-CB 4.46Å; F278-P457 HydrophobicContact CD1-CB 3.53Å; F278-P457 HydrophobicContact CD1-CG 3.34Å; F278-P457 HydrophobicContact CD2-CB 3.79Å; F278-P457 HydrophobicContact CE1-CB 3.59Å; F278-P457 HydrophobicContact CE1-CG 3.46Å; F278-P457 VanDerWaalsContact CE1-CG 3.46Å; F278-P457 HydrophobicContact CE2-CB 3.84Å; F278-P457 HydrophobicContact CG-CB 3.64Å; F278-P457 HydrophobicContact CG-CG 3.93Å; F278-P457 HydrophobicContact CZ-CB 3.74Å; F278-P457 HydrophobicContact CZ-CG 4.12Å; Y295-P457 HydrophobicContact CE1-CG 4.08Å; Y295-P457 HydrophobicContact CE2-CB 4.33Å; Y295-P457 HydrophobicContact CE2-CG 4.17Å; Y295-P457 WeakPolarHBondContact OH-CA 3.38Å; Y295-P457 VanDerWaalsContact OH-N 3.12Å; L445-P457 HydrophobicContact CD1-CG 4.08Å; P457-S473 WeakPolarHBondContact CG-O 3.4Å; P457-T474 WeakPolarHBondContact O-CG2 3.3Å; P457-H475 PolarHBondContact O-N 3.1Å
458Q95Very high91.9Very high13 Ų1333.4 Ų33.46%0.06117%0.169CC..  trans-107.3153.3-168-65.7-61.6-52.900112.3Y143 N453 Y454 R456 V460Y143-Q458 PolarHBondContact O-OE1 2.8Å; N453-Q458 PolarHBondContact O-NE2 2.75Å; Y454-Q458 PolarHBondContact O-NE2 3.35Å; R456-Q458 PolarHBondContact O-N 3.26Å; R456-Q458 PolarHBondContact O-NE2 3.11Å; Q458-V460 VanDerWaalsContact C-N 3.34Å; Q458-V460 PolarHBondContact O-N 3.49Å
459N96.7Very high92.6Very high0 Ų032.3 Ų32.30%016%0.161CC..SBendtrans-67-33.4-174.9-56.486.7000114.3T142 Y468 F469 H475 S486 T490T142-N459 HydrophobicContact CG2-CB 4.05Å; N459-Y468 CarbonylContact O-C 3.37Å; N459-Y468 VanDerWaalsContact O-CA 3.24Å; N459-Y468 WeakPolarHBondContact O-CA 3.45Å; N459-Y468 WeakPolarHBondContact O-CB 3.16Å; N459-F469 WeakPolarHBondContact CA-O 3.49Å; N459-F469 PolarHBondContact O-N 3.22Å; N459-H475 PolarHBondContact ND2-O 2.61Å; N459-H475 WeakPolarHBondContact OD1-CB 3.36Å; N459-H475 PolarHBondContact OD1-CD2 3.05Å; N459-H475 PolarHBondContact OD1-O 3.39Å; N459-S486 PolarHBondContact ND2-OG 3.38Å; N459-T490 HydrophobicContact CB-CG2 4.09Å; N459-T490 WeakPolarHBondContact CB-OG1 3.38Å; N459-T490 PolarHBondContact ND2-OG1 3.13Å
460V96.3Very high93.5Very high14 Ų1428.3 Ų28.39%0.08514%0.141CC..BIsolated β-bridgetrans-104.3125.1174.8-176.30000107.5T142 Q458 R462 Y468 E493T142-V460 HydrophobicContact CG2-CG2 4.1Å; Q458-V460 VanDerWaalsContact C-N 3.34Å; Q458-V460 PolarHBondContact O-N 3.49Å; V460-R462 PolarHBondContact O-N 3.39Å; V460-Y468 HydrophobicContact CB-CD1 4.4Å; V460-Y468 HydrophobicContact CG1-CD1 4.34Å; V460-Y468 HydrophobicContact CG1-CE1 4.1Å; V460-Y468 HydrophobicContact CG2-CD1 4Å; V460-Y468 HydrophobicContact CG2-CE1 4.07Å; V460-E493 HydrophobicContact CG2-CB 3.73Å; V460-E493 HydrophobicContact CG2-CG 4.27Å
461S95.5Very high94Very high15 Ų1524.9 Ų24.911%0.10511%0.113CC..  trans-59131.4176.4179.70000110.3D463 Y464 L467S461-D463 PolarHBondContact OG-N 3.14Å; S461-Y464 VanDerWaalsContact CB-O 3.27Å; S461-Y464 WeakPolarHBondContact CB-O 3.35Å; S461-Y464 PolarHBondContact OG-N 3.27Å; S461-Y464 VanDerWaalsContact OG-N 3.15Å; S461-Y464 PolarHBondContact OG-O 2.6Å; S461-L467 WeakPolarHBondContact CB-O 3.49Å; S461-L467 PolarHBondContact N-O 3.47Å
462R92.7Very high94.1Very high90 Ų9025.2 Ų25.234%0.3412%0.117SC..SBendtrans-84.8-20.1176.5-65.7-178.9178.51692.5112.4Y143 R144 Y454 V460Y143-R462 PolarHBondContact O-NH2 2.85Å; R144-R462 PolarHBondContact O-NE 3.41Å; Y454-R462 VanDerWaalsContact CD2-NH2 3.26Å; Y454-R462 VanDerWaalsContact CZ-NH1 3.34Å; Y454-R462 PolarHBondContact OH-NH1 3.24Å; Y454-R462 VanDerWaalsContact OH-NH1 3.11Å; V460-R462 PolarHBondContact O-N 3.39Å
463D93.9Very high94.4Very high33 Ų3324.5 Ų24.518%0.17611%0.113CC..SBendtrans-98.1-32-174.1-71.2-50.1000112.7K293 S461K293-D463 VanDerWaalsContact CD-OD1 3.32Å; K293-D463 WeakPolarHBondContact CD-OD1 3.44Å; K293-D463 WeakPolarHBondContact CG-OD1 3.44Å; K293-D463 PolarHBondContact N-OD2 3.5Å; K293-D463 IonicContact NZ-OD1 3.88Å; S461-D463 PolarHBondContact OG-N 3.14Å
464Y95.9Very high94.7Very high13 Ų1323 Ų235%0.05111%0.105CC..SBendtrans-131126.6-171.9-53.1-62.6000110.9I250 K255 M286 A290 P291 S461 L467I250-Y464 HydrophobicContact CD1-CD1 4.23Å; I250-Y464 HydrophobicContact CD1-CD2 4.22Å; I250-Y464 HydrophobicContact CD1-CG 3.92Å; I250-Y464 HydrophobicContact CG1-CD1 4.35Å; I250-Y464 HydrophobicContact CG1-CG 4.42Å; I250-Y464 HydrophobicContact CG2-CD1 3.51Å; I250-Y464 HydrophobicContact CG2-CE1 3.7Å; I250-Y464 HydrophobicContact CG2-CG 4.3Å; K255-Y464 HydrophobicContact CB-CD1 4.41Å; K255-Y464 CarbonylContact O-C 3.55Å; K255-Y464 VanDerWaalsContact O-CA 3.31Å; K255-Y464 WeakPolarHBondContact O-CA 3.36Å; M286-Y464 HydrophobicContact CE-CD2 3.69Å; M286-Y464 HydrophobicContact CE-CE2 3.48Å; M286-Y464 VanDerWaalsContact CE-CE2 3.48Å; A290-Y464 WeakPolarHBondContact CA-OH 3.32Å; A290-Y464 HydrophobicContact CB-CE1 3.83Å; A290-Y464 WeakPolarHBondContact CB-OH 3.13Å; A290-Y464 PolarHBondContact O-OH 3.35Å; P291-Y464 PolarHBondContact O-OH 3.32Å; S461-Y464 VanDerWaalsContact CB-O 3.27Å; S461-Y464 WeakPolarHBondContact CB-O 3.35Å; S461-Y464 PolarHBondContact OG-N 3.27Å; S461-Y464 VanDerWaalsContact OG-N 3.15Å; S461-Y464 PolarHBondContact OG-O 2.6Å; Y464-L467 HydrophobicContact CD2-CD2 4.06Å
465K95.6Very high95Very high116 Ų11621.4 Ų21.450%0.50410%0.098SC..BIsolated β-bridgetrans-64.4157.4169.7-61.7-176.7177.9-173.70110K255 R256 A257 L467K255-K465 PolarHBondContact O-N 2.99Å; R256-K465 VanDerWaalsContact CA-O 3.24Å; R256-K465 WeakPolarHBondContact CA-O 3.45Å; R256-K465 HydrophobicContact CB-CB 3.93Å; A257-K465 PolarHBondContact N-O 3.07Å; K465-L467 PolarHBondContact O-N 3.39Å
466D96.9Very high95Very high12 Ų1216.9 Ų16.96%0.0648%0.082CC..THydrogen-bonded Turntrans65.57.2173.1-50.8-53000114.4R256 K271 I272R256-D466 IonicContact CZ-OD2 3.23Å; R256-D466 VanDerWaalsContact CZ-OD2 3.23Å; R256-D466 IonicContact NE-OD2 2.9Å; R256-D466 PolarHBondContact NE-OD2 3.49Å; R256-D466 IonicContact NH2-OD2 3.01Å; R256-D466 PolarHBondContact NH2-OD2 3.44Å; K271-D466 WeakPolarHBondContact CA-O 3.22Å; K271-D466 HydrophobicContact CG-CB 4.18Å; K271-D466 IonicContact NZ-OD1 3.15Å; K271-D466 PolarHBondContact NZ-OD1 3.04Å; I272-D466 PolarHBondContact N-O 3Å
467L97.8Very high94.9Very high1 Ų117.1 Ų17.11%0.0059%0.085CC..EExtended strand (participates in β ladder)trans-113.6128.4176.1-177.359.6000110.9I248 I250 A257 I272 M286 S461 Y464 K465 F469I248-L467 HydrophobicContact CD1-CD1 4.02Å; I248-L467 HydrophobicContact CG2-CD1 4.29Å; I250-L467 HydrophobicContact CD1-CD2 4.44Å; A257-L467 HydrophobicContact CB-CB 3.88Å; A257-L467 HydrophobicContact CB-CD1 4.45Å; I272-L467 HydrophobicContact CB-CD1 4.2Å; I272-L467 HydrophobicContact CG2-CD1 4.14Å; I272-L467 WeakPolarHBondContact O-CA 3.31Å; M286-L467 HydrophobicContact CE-CD2 4.18Å; M286-L467 HydrophobicContact SD-CD2 4.23Å; S461-L467 WeakPolarHBondContact CB-O 3.49Å; S461-L467 PolarHBondContact N-O 3.47Å; Y464-L467 HydrophobicContact CD2-CD2 4.06Å; K465-L467 PolarHBondContact O-N 3.39Å; L467-F469 HydrophobicContact CD1-CE1 4.44Å; L467-F469 HydrophobicContact CD1-CZ 4.36Å; L467-F469 HydrophobicContact CD2-CE1 4.39Å; L467-F469 HydrophobicContact CD2-CE2 4.21Å; L467-F469 HydrophobicContact CD2-CZ 3.63Å; L467-F469 HydrophobicContact CG-CE1 4.38Å; L467-F469 HydrophobicContact CG-CE2 4.15Å; L467-F469 HydrophobicContact CG-CZ 3.82Å
468Y98.3Very high94.6Very high3 Ų317.9 Ų17.91%0.0129%0.091CC..EExtended strand (participates in β ladder)trans-130.8153.6-177.3-56.3-97.8000109.8K271 I272 C274 N459 V460 T490 M494 D497K271-Y468 HydrophobicContact CB-CE2 4.24Å; K271-Y468 HydrophobicContact CD-CE2 3.96Å; K271-Y468 HydrophobicContact CG-CE2 4.32Å; I272-Y468 PolarHBondContact O-N 2.91Å; C274-Y468 PolarHBondContact N-O 3.03Å; N459-Y468 CarbonylContact O-C 3.37Å; N459-Y468 VanDerWaalsContact O-CA 3.24Å; N459-Y468 WeakPolarHBondContact O-CA 3.45Å; N459-Y468 WeakPolarHBondContact O-CB 3.16Å; V460-Y468 HydrophobicContact CB-CD1 4.4Å; V460-Y468 HydrophobicContact CG1-CD1 4.34Å; V460-Y468 HydrophobicContact CG1-CE1 4.1Å; V460-Y468 HydrophobicContact CG2-CD1 4Å; V460-Y468 HydrophobicContact CG2-CE1 4.07Å; Y468-T490 HydrophobicContact CD1-CG2 4.39Å; Y468-M494 HydrophobicContact CD1-CB 4.22Å; Y468-M494 HydrophobicContact CD1-CE 4.15Å; Y468-M494 HydrophobicContact CD2-CE 3.29Å; Y468-M494 HydrophobicContact CD2-CG 4.28Å; Y468-M494 HydrophobicContact CD2-SD 4.45Å; Y468-M494 HydrophobicContact CE1-CB 3.93Å; Y468-M494 HydrophobicContact CE1-CG 4.21Å; Y468-M494 HydrophobicContact CE2-CB 4.47Å; Y468-M494 HydrophobicContact CE2-CE 3.84Å; Y468-M494 HydrophobicContact CE2-CG 3.87Å; Y468-M494 HydrophobicContact CE2-SD 4.47Å; Y468-M494 HydrophobicContact CG-CE 3.48Å; Y468-M494 VanDerWaalsContact CG-CE 3.48Å; Y468-D497 WeakPolarHBondContact CE1-OD2 3.35Å; Y468-D497 VanDerWaalsContact OH-CB 3.3Å; Y468-D497 WeakPolarHBondContact OH-CB 3.27Å; Y468-D497 PolarHBondContact OH-OD2 2.89Å
469F98Very high94.3Very high6 Ų619.2 Ų19.23%0.02611%0.108CC..EExtended strand (participates in β ladder)trans-127.9145.7178.3-57.2-76.2000110C274 F278 V281 I292 N459 L467 T474 T490C274-F469 HydrophobicContact CB-CD1 3.94Å; C274-F469 HydrophobicContact CB-CE1 4.2Å; C274-F469 CarbonylContact O-C 3.57Å; C274-F469 VanDerWaalsContact O-CA 3.29Å; C274-F469 WeakPolarHBondContact O-CA 3.41Å; F278-F469 HydrophobicContact CD2-CB 4.28Å; F278-F469 AromaticContact CD2-CD1 3.86Å; F278-F469 HydrophobicContact CD2-CD1 3.86Å; F278-F469 HydrophobicContact CD2-CD2 4.35Å; F278-F469 HydrophobicContact CD2-CE1 4.28Å; F278-F469 AromaticContact CD2-CG 3.9Å; F278-F469 HydrophobicContact CD2-CG 3.9Å; F278-F469 HydrophobicContact CE2-CD1 4.1Å; F278-F469 AromaticContact CE2-CD2 3.97Å; F278-F469 HydrophobicContact CE2-CD2 3.97Å; F278-F469 HydrophobicContact CE2-CE1 4.19Å; F278-F469 HydrophobicContact CE2-CE2 4.04Å; F278-F469 AromaticContact CE2-CG 3.99Å; F278-F469 HydrophobicContact CE2-CG 3.99Å; F278-F469 HydrophobicContact CE2-CZ 4.15Å; V281-F469 HydrophobicContact CG1-CE1 3.9Å; I292-F469 HydrophobicContact CD1-CE1 4.22Å; I292-F469 HydrophobicContact CD1-CE2 4.26Å; I292-F469 HydrophobicContact CD1-CZ 3.63Å; N459-F469 WeakPolarHBondContact CA-O 3.49Å; N459-F469 PolarHBondContact O-N 3.22Å; L467-F469 HydrophobicContact CD1-CE1 4.44Å; L467-F469 HydrophobicContact CD1-CZ 4.36Å; L467-F469 HydrophobicContact CD2-CE1 4.39Å; L467-F469 HydrophobicContact CD2-CE2 4.21Å; L467-F469 HydrophobicContact CD2-CZ 3.63Å; L467-F469 HydrophobicContact CG-CE1 4.38Å; L467-F469 HydrophobicContact CG-CE2 4.15Å; L467-F469 HydrophobicContact CG-CZ 3.82Å; F469-T474 HydrophobicContact CB-CG2 3.99Å; F469-T490 PolarHBondContact O-OG1 3.29Å
470A97.7Very high94.1Very high0 Ų020 Ų200%011%0.113CC..  trans-151.2162170.300000109.9T11 L273 C274 T275 T490T11-A470 HydrophobicContact CG2-CB 3.43Å; T11-A470 VanDerWaalsContact CG2-CB 3.43Å; L273-A470 HydrophobicContact CD1-CB 4.22Å; C274-A470 PolarHBondContact O-N 3.03Å; T275-A470 WeakPolarHBondContact CA-O 3.38Å; T275-A470 HydrophobicContact CG2-CB 4.25Å; A470-T490 HydrophobicContact CB-CG2 4.43Å
471G94.5Very high94Very high3 Ų319.7 Ų19.73%0.03111%0.111CC..SBendtrans118.2-168.9174.100000113.5S473 T474 S486G471-S473 VanDerWaalsContact C-N 3.32Å; G471-S473 PolarHBondContact O-N 3.32Å; G471-T474 PolarHBondContact O-N 3.08Å; G471-S486 PolarHBondContact N-OG 3.48Å
472A91.5Very high93.8Very high18 Ų1821 Ų2115%0.14912%0.116CC..THydrogen-bonded Turntrans-60.3-35.9-165.100000114.3R456 G477 A478 V483R456-A472 PolarHBondContact NH2-O 2.98Å; A472-G477 WeakPolarHBondContact CA-O 3.3Å; A472-G477 CarbonylContact O-C 3.56Å; A472-G477 VanDerWaalsContact O-C 3.22Å; A472-A478 HydrophobicContact CB-CB 4.18Å; A472-A478 PolarHBondContact O-N 3Å; A472-V483 HydrophobicContact CB-CG1 4.02Å
473S92.4Very high94Very high1 Ų117.2 Ų17.21%0.00710%0.103CC..THydrogen-bonded Turntrans-92.84.3-179.5-630000113.6D277 L445 P457 G471D277-S473 WeakPolarHBondContact OD1-CB 3.43Å; D277-S473 PolarHBondContact OD1-OG 3.3Å; L445-S473 WeakPolarHBondContact CD1-O 3.36Å; P457-S473 WeakPolarHBondContact CG-O 3.4Å; G471-S473 VanDerWaalsContact C-N 3.32Å; G471-S473 PolarHBondContact O-N 3.32Å
474T93.9Very high94.1Very high2 Ų215.7 Ų15.71%0.01210%0.096CC..SBendtrans-110.8164.1175.3-57.80000109.3R456 P457 F469 G471 P476 G477R456-T474 PolarHBondContact NE-O 3.33Å; R456-T474 VanDerWaalsContact NE-O 3.16Å; P457-T474 WeakPolarHBondContact O-CG2 3.3Å; F469-T474 HydrophobicContact CB-CG2 3.99Å; G471-T474 PolarHBondContact O-N 3.08Å; T474-P476 CarbonylContact O-C 3.57Å; T474-G477 PolarHBondContact O-N 3.37Å
475H94.4Very high94.1Very high0 Ų015.9 Ų15.90%010%0.098CC..SBendtrans-55.3134.8171.5-178.478.4000111.2F138 L139 R141 Y143 P457 N459 S486F138-H475 PolarHBondContact O-CE1 2.78Å; F138-H475 VanDerWaalsContact O-CE1 3.31Å; F138-H475 PolarHBondContact O-NE2 3.04Å; L139-H475 PolarHBondContact O-NE2 3.09Å; R141-H475 PolarHBondContact O-CD2 2.92Å; R141-H475 PolarHBondContact O-NE2 3.11Å; Y143-H475 AromaticContact CE2-CE1 3.65Å; Y143-H475 AromaticContact CE2-NE2 3.99Å; P457-H475 PolarHBondContact O-N 3.1Å; N459-H475 PolarHBondContact ND2-O 2.61Å; N459-H475 WeakPolarHBondContact OD1-CB 3.36Å; N459-H475 PolarHBondContact OD1-CD2 3.05Å; N459-H475 PolarHBondContact OD1-O 3.39Å; H475-S486 PolarHBondContact O-OG 3.18Å
476P91.8Very high94.2Very high11 Ų1110.3 Ų10.37%0.0717%0.074CC..SBendcis-84.4-25.57.54.113.1000115.4L139 T474 I482 T485 I489L139-P476 HydrophobicContact CB-CB 4.28Å; L139-P476 HydrophobicContact CD2-CB 3.86Å; L139-P476 WeakPolarHBondContact O-CG 3.48Å; T474-P476 CarbonylContact O-C 3.57Å; P476-I482 HydrophobicContact CB-CG2 3.71Å; P476-I482 HydrophobicContact CG-CG2 3.72Å; P476-T485 HydrophobicContact CG-CG2 4.11Å; P476-I489 HydrophobicContact CG-CD1 4.23Å
477G89.8Confident94.2Very high6 Ų69.8 Ų9.86%0.0627%0.071CC..  trans156.5-159.5-175.600000114A472 T474 I482 V483A472-G477 WeakPolarHBondContact CA-O 3.3Å; A472-G477 CarbonylContact O-C 3.56Å; A472-G477 VanDerWaalsContact O-C 3.22Å; T474-G477 PolarHBondContact O-N 3.37Å; G477-I482 VanDerWaalsContact C-CG2 3.48Å; G477-I482 VanDerWaalsContact N-CG2 3.33Å; G477-I482 WeakPolarHBondContact O-CG2 3.34Å; G477-V483 WeakPolarHBondContact O-CG1 3.37Å
478A87.6Confident94.2Very high19 Ų1912.6 Ų12.616%0.1578%0.083CC..SBendtrans-92.7166.7-179.500000112.8F443 A472 I482F443-A478 WeakPolarHBondContact O-CB 3.24Å; A472-A478 HydrophobicContact CB-CB 4.18Å; A472-A478 PolarHBondContact O-N 3Å; A478-I482 WeakPolarHBondContact O-CB 3.4Å; A478-I482 WeakPolarHBondContact O-CG1 3.41Å
479G89Confident94.1Very high40 Ų4012.8 Ų12.841%0.4128%0.084SC..SBendtrans98.8141.8-174.800000112.1I482 V483G479-I482 PolarHBondContact O-N 3.12Å; G479-V483 WeakPolarHBondContact O-CG1 3.21Å; G479-V483 PolarHBondContact O-N 3Å
480V93Very high94.1Very high16 Ų1612.5 Ų12.510%0.0978%0.083CC..Hα-helixtrans-57.5-48.5-170.7178.70000113.1M39 P53 Y62 M221 I482 V483 L484M39-V480 HydrophobicContact CE-CG1 3.75Å; M39-V480 HydrophobicContact CE-CG2 3.92Å; P53-V480 HydrophobicContact CB-CG2 3.66Å; P53-V480 HydrophobicContact CG-CG2 3.76Å; Y62-V480 HydrophobicContact CE1-CG1 3.58Å; Y62-V480 HydrophobicContact CE2-CG1 4.37Å; Y62-V480 VanDerWaalsContact CZ-CG1 3.46Å; Y62-V480 WeakPolarHBondContact OH-CB 3.31Å; Y62-V480 VanDerWaalsContact OH-CG1 3.23Å; Y62-V480 WeakPolarHBondContact OH-CG1 2.98Å; M221-V480 HydrophobicContact CE-CB 4.23Å; M221-V480 HydrophobicContact CE-CG1 4.32Å; M221-V480 HydrophobicContact CE-CG2 3.71Å; V480-I482 VanDerWaalsContact C-N 3.28Å; V480-I482 PolarHBondContact O-N 2.59Å; V480-V483 WeakPolarHBondContact O-CG2 3.27Å; V480-V483 PolarHBondContact O-N 2.83Å; V480-L484 HydrophobicContact CG1-CD1 4.13Å; V480-L484 HydrophobicContact CG1-CG 4.45Å; V480-L484 WeakPolarHBondContact O-CG 3.46Å; V480-L484 PolarHBondContact O-N 3.15Å; V480-L484 VanDerWaalsContact O-N 3.08Å
481P92.8Very high94.1Very high9 Ų912.7 Ų12.76%0.0588%0.084CC..Hα-helixtrans-56.9-42.3174.7-24.433000112.6M58 V61 Y62 L484 T485M58-P481 HydrophobicContact CB-CB 4.19Å; M58-P481 HydrophobicContact CB-CG 4.13Å; M58-P481 HydrophobicContact CG-CB 4.36Å; M58-P481 HydrophobicContact CG-CG 4.3Å; M58-P481 HydrophobicContact SD-CB 3.64Å; M58-P481 HydrophobicContact SD-CG 4.09Å; V61-P481 HydrophobicContact CB-CB 4.37Å; V61-P481 HydrophobicContact CG1-CB 4.25Å; V61-P481 WeakPolarHBondContact CG1-O 3.44Å; V61-P481 HydrophobicContact CG2-CB 4.41Å; Y62-P481 HydrophobicContact CE2-CG 4.11Å; P481-L484 PolarHBondContact O-N 3.28Å; P481-T485 PolarHBondContact O-N 3.17Å; P481-T485 PolarHBondContact O-OG1 3.26Å; P481-T485 VanDerWaalsContact O-OG1 3.08Å
482I93Very high94.2Very high41 Ų4116 Ų1621%0.2110%0.101CC..Hα-helixtrans-69.2-38.8-176-56.1-57.3000111.8P476 G477 A478 G479 V480 L484 T485 S486P476-I482 HydrophobicContact CB-CG2 3.71Å; P476-I482 HydrophobicContact CG-CG2 3.72Å; G477-I482 VanDerWaalsContact C-CG2 3.48Å; G477-I482 VanDerWaalsContact N-CG2 3.33Å; G477-I482 WeakPolarHBondContact O-CG2 3.34Å; A478-I482 WeakPolarHBondContact O-CB 3.4Å; A478-I482 WeakPolarHBondContact O-CG1 3.41Å; G479-I482 PolarHBondContact O-N 3.12Å; V480-I482 VanDerWaalsContact C-N 3.28Å; V480-I482 PolarHBondContact O-N 2.59Å; I482-L484 VanDerWaalsContact C-N 3.35Å; I482-T485 CarbonylContact O-C 3.48Å; I482-T485 WeakPolarHBondContact O-CB 3.31Å; I482-T485 PolarHBondContact O-N 2.83Å; I482-S486 PolarHBondContact O-N 2.64Å
483V95.2Very high94.5Very high11 Ų1116.4 Ų16.47%0.06710%0.1CC..Hα-helixtrans-75.7-24.8178-55.90000112.6V10 T11 A472 G477 G479 V480 S486 A487V10-V483 HydrophobicContact CG2-CG2 3.88Å; T11-V483 VanDerWaalsContact OG1-CB 3.29Å; T11-V483 WeakPolarHBondContact OG1-CB 3.5Å; T11-V483 PolarHBondContact OG1-O 2.87Å; A472-V483 HydrophobicContact CB-CG1 4.02Å; G477-V483 WeakPolarHBondContact O-CG1 3.37Å; G479-V483 WeakPolarHBondContact O-CG1 3.21Å; G479-V483 PolarHBondContact O-N 3Å; V480-V483 WeakPolarHBondContact O-CG2 3.27Å; V480-V483 PolarHBondContact O-N 2.83Å; V483-S486 WeakPolarHBondContact O-CB 3.31Å; V483-S486 PolarHBondContact O-N 2.92Å; V483-A487 PolarHBondContact O-N 3.09Å; V483-A487 VanDerWaalsContact O-N 3.08Å
484L97.2Very high94.7Very high2 Ų216.3 Ų16.31%0.0110%0.099CC..Hα-helixtrans-71.1-40167.2-68.7176.9000111.2V10 A14 V61 Y62 V65 M224 V480 P481 I482 S486 A487 K488V10-L484 HydrophobicContact CB-CD2 4.29Å; A14-L484 HydrophobicContact CB-CD2 3.68Å; V61-L484 HydrophobicContact CG1-CB 3.75Å; V61-L484 HydrophobicContact CG1-CD1 4.13Å; Y62-L484 HydrophobicContact CD1-CD1 4.29Å; Y62-L484 HydrophobicContact CD2-CD1 4.47Å; Y62-L484 HydrophobicContact CG-CD1 4.25Å; V65-L484 HydrophobicContact CG2-CD2 4.09Å; M224-L484 HydrophobicContact CE-CD1 4.18Å; V480-L484 HydrophobicContact CG1-CD1 4.13Å; V480-L484 HydrophobicContact CG1-CG 4.45Å; V480-L484 WeakPolarHBondContact O-CG 3.46Å; V480-L484 PolarHBondContact O-N 3.15Å; V480-L484 VanDerWaalsContact O-N 3.08Å; P481-L484 PolarHBondContact O-N 3.28Å; I482-L484 VanDerWaalsContact C-N 3.35Å; L484-S486 VanDerWaalsContact C-N 3.31Å; L484-S486 PolarHBondContact O-N 2.68Å; L484-A487 WeakPolarHBondContact O-CB 3.43Å; L484-A487 PolarHBondContact O-N 3.41Å; L484-K488 PolarHBondContact O-N 2.9Å
485T95.3Very high94.9Very high16 Ų1617.3 Ų17.310%0.09810%0.104CC..Hα-helixtrans-61.5-39.9169.1-57.90000111.2E140 P476 P481 I482 A487 K488 I489E140-T485 HydrophobicContact CG-CG2 4.11Å; P476-T485 HydrophobicContact CG-CG2 4.11Å; P481-T485 PolarHBondContact O-N 3.17Å; P481-T485 PolarHBondContact O-OG1 3.26Å; P481-T485 VanDerWaalsContact O-OG1 3.08Å; I482-T485 CarbonylContact O-C 3.48Å; I482-T485 WeakPolarHBondContact O-CB 3.31Å; I482-T485 PolarHBondContact O-N 2.83Å; T485-A487 VanDerWaalsContact C-N 3.33Å; T485-A487 PolarHBondContact O-N 3.29Å; T485-K488 WeakPolarHBondContact O-CB 3.43Å; T485-K488 PolarHBondContact O-N 3.25Å; T485-K488 VanDerWaalsContact O-N 3.15Å; T485-I489 HydrophobicContact CG2-CG2 4.2Å; T485-I489 WeakPolarHBondContact O-CG1 3.49Å; T485-I489 PolarHBondContact O-N 3.2Å
486S97.1Very high95Very high0 Ų020.9 Ų20.90%012%0.12CC..Hα-helixtrans-57.2-45.1174-166.70000111.2N459 G471 H475 I482 V483 L484 T490N459-S486 PolarHBondContact ND2-OG 3.38Å; G471-S486 PolarHBondContact N-OG 3.48Å; H475-S486 PolarHBondContact O-OG 3.18Å; I482-S486 PolarHBondContact O-N 2.64Å; V483-S486 WeakPolarHBondContact O-CB 3.31Å; V483-S486 PolarHBondContact O-N 2.92Å; L484-S486 VanDerWaalsContact C-N 3.31Å; L484-S486 PolarHBondContact O-N 2.68Å; S486-T490 VanDerWaalsContact O-CB 3.29Å; S486-T490 WeakPolarHBondContact O-CB 3.3Å; S486-T490 PolarHBondContact O-N 3.41Å; S486-T490 VanDerWaalsContact O-N 3.13Å; S486-T490 PolarHBondContact O-OG1 3.48Å
487A98.1Very high95.2Very high0 Ų020.6 Ų20.60%012%0.118CC..Hα-helixtrans-58.3-50.6173.200000111.5T11 A14 A15 V483 L484 T485 T490 V491T11-A487 HydrophobicContact CG2-CB 3.98Å; T11-A487 WeakPolarHBondContact O-CB 3.31Å; A14-A487 HydrophobicContact CB-CB 4.06Å; A15-A487 HydrophobicContact CB-CB 3.99Å; V483-A487 PolarHBondContact O-N 3.09Å; V483-A487 VanDerWaalsContact O-N 3.08Å; L484-A487 WeakPolarHBondContact O-CB 3.43Å; L484-A487 PolarHBondContact O-N 3.41Å; T485-A487 VanDerWaalsContact C-N 3.33Å; T485-A487 PolarHBondContact O-N 3.29Å; A487-T490 PolarHBondContact O-N 3.4Å; A487-V491 VanDerWaalsContact O-CG2 3.31Å; A487-V491 WeakPolarHBondContact O-CG2 3.29Å; A487-V491 PolarHBondContact O-N 2.96Å
488K97.5Very high95.4Very high60 Ų6021.5 Ų21.526%0.26112%0.121SC..Hα-helixtrans-54.7-58.3179.9179.1178-174.1157.50112.7D64 L484 T485 T490 V491 D492D64-K488 IonicContact OD1-NZ 2.73Å; D64-K488 PolarHBondContact OD1-NZ 3.46Å; D64-K488 IonicContact OD2-NZ 2.66Å; D64-K488 PolarHBondContact OD2-NZ 2.85Å; L484-K488 PolarHBondContact O-N 2.9Å; T485-K488 WeakPolarHBondContact O-CB 3.43Å; T485-K488 PolarHBondContact O-N 3.25Å; T485-K488 VanDerWaalsContact O-N 3.15Å; K488-T490 PolarHBondContact O-N 3.06Å; K488-V491 PolarHBondContact O-N 2.92Å; K488-D492 VanDerWaalsContact O-CG 3.28Å; K488-D492 PolarHBondContact O-N 2.88Å
489I96.5Very high95.8Very high8 Ų827.9 Ų27.94%0.04115%0.147CC..Hα-helixtrans-66.6-28.1-175.567.9-176.3000112.6T142 P476 T485 E493T142-I489 PolarHBondContact OG1-O 3.49Å; P476-I489 HydrophobicContact CG-CD1 4.23Å; T485-I489 HydrophobicContact CG2-CG2 4.2Å; T485-I489 WeakPolarHBondContact O-CG1 3.49Å; T485-I489 PolarHBondContact O-N 3.2Å; I489-E493 WeakPolarHBondContact O-CG 3.47Å; I489-E493 PolarHBondContact O-N 2.64Å
490T98Very high95.9Very high0 Ų033.9 Ų33.90%016%0.158CC..Hα-helixtrans-71.8-46.7176-51.90000110.9L273 N459 Y468 F469 A470 S486 A487 K488 E493 M494L273-T490 HydrophobicContact CD1-CG2 3.47Å; L273-T490 VanDerWaalsContact CD1-CG2 3.47Å; N459-T490 HydrophobicContact CB-CG2 4.09Å; N459-T490 WeakPolarHBondContact CB-OG1 3.38Å; N459-T490 PolarHBondContact ND2-OG1 3.13Å; Y468-T490 HydrophobicContact CD1-CG2 4.39Å; F469-T490 PolarHBondContact O-OG1 3.29Å; A470-T490 HydrophobicContact CB-CG2 4.43Å; S486-T490 VanDerWaalsContact O-CB 3.29Å; S486-T490 WeakPolarHBondContact O-CB 3.3Å; S486-T490 PolarHBondContact O-N 3.41Å; S486-T490 VanDerWaalsContact O-N 3.13Å; S486-T490 PolarHBondContact O-OG1 3.48Å; A487-T490 PolarHBondContact O-N 3.4Å; K488-T490 PolarHBondContact O-N 3.06Å; T490-E493 PolarHBondContact O-N 2.81Å; T490-M494 WeakPolarHBondContact O-CB 3.5Å; T490-M494 PolarHBondContact O-N 2.95Å
491V98Very high95.7Very high4 Ų436.2 Ų36.22%0.02419%0.185CC..Hα-helixtrans-63.5-43.91781740000110.5A15 R18 I19 A487 K488 E493 M494 I495A15-V491 HydrophobicContact CB-CG2 3.72Å; R18-V491 HydrophobicContact CB-CB 4.42Å; R18-V491 HydrophobicContact CB-CG1 3.92Å; R18-V491 HydrophobicContact CB-CG2 4.33Å; I19-V491 HydrophobicContact CD1-CG2 3.95Å; I19-V491 HydrophobicContact CG1-CB 4.38Å; I19-V491 HydrophobicContact CG1-CG1 3.76Å; I19-V491 HydrophobicContact CG1-CG2 3.73Å; A487-V491 VanDerWaalsContact O-CG2 3.31Å; A487-V491 WeakPolarHBondContact O-CG2 3.29Å; A487-V491 PolarHBondContact O-N 2.96Å; K488-V491 PolarHBondContact O-N 2.92Å; V491-E493 PolarHBondContact O-N 2.96Å; V491-M494 WeakPolarHBondContact O-CB 3.49Å; V491-M494 PolarHBondContact O-N 3.35Å; V491-I495 HydrophobicContact CG1-CG1 4.01Å; V491-I495 WeakPolarHBondContact O-CG1 3.48Å; V491-I495 PolarHBondContact O-N 3.38Å
492D97Very high94.9Very high73 Ų7339.1 Ų39.139%0.3920%0.202SC..Hα-helixtrans-56.5-39.9177.1-70.2-10.5000112.1K488 K496K488-D492 VanDerWaalsContact O-CG 3.28Å; K488-D492 PolarHBondContact O-N 2.88Å; D492-K496 VanDerWaalsContact O-CG 3.23Å; D492-K496 WeakPolarHBondContact O-CG 3.42Å; D492-K496 PolarHBondContact O-N 3.06Å; D492-K496 VanDerWaalsContact O-N 3.16Å
493E96.5Very high95Very high25 Ų2539 Ų3912%0.11720%0.202CC..Hα-helixtrans-73.6-35176.2-74.4-61.5124.500113.2T142 R144 V460 I489 T490 V491 K496 D497T142-E493 HydrophobicContact CG2-CG 3.89Å; T142-E493 WeakPolarHBondContact OG1-CG 3.38Å; R144-E493 IonicContact CZ-OE2 2.66Å; R144-E493 VanDerWaalsContact CZ-OE2 3.22Å; R144-E493 IonicContact NE-OE2 2.85Å; R144-E493 PolarHBondContact NE-OE2 2.81Å; R144-E493 PolarHBondContact NH2-O 3.3Å; R144-E493 IonicContact NH2-OE2 2.66Å; R144-E493 PolarHBondContact NH2-OE2 3.24Å; V460-E493 HydrophobicContact CG2-CB 3.73Å; V460-E493 HydrophobicContact CG2-CG 4.27Å; I489-E493 WeakPolarHBondContact O-CG 3.47Å; I489-E493 PolarHBondContact O-N 2.64Å; T490-E493 PolarHBondContact O-N 2.81Å; V491-E493 PolarHBondContact O-N 2.96Å; E493-K496 PolarHBondContact O-N 3.02Å; E493-K496 WeakPolarHBondContact OE1-CD 3.29Å; E493-K496 IonicContact OE1-NZ 2.83Å; E493-K496 PolarHBondContact OE1-NZ 3.39Å; E493-D497 PolarHBondContact O-N 3.12Å
494M97.3Very high94.9Very high0 Ų040.5 Ų40.50%021%0.209CC..Hα-helixtrans-64.2-47.4174.2-172.4-177.7-64.900111.1I3 I19 K271 L273 Y468 T490 V491 K496 D497 I498I3-M494 HydrophobicContact CD1-SD 4.18Å; I3-M494 HydrophobicContact CG2-SD 4.18Å; I19-M494 HydrophobicContact CD1-CE 4.44Å; I19-M494 HydrophobicContact CD1-SD 3.96Å; I19-M494 HydrophobicContact CG1-SD 4.43Å; K271-M494 HydrophobicContact CD-CG 3.83Å; K271-M494 HydrophobicContact CD-SD 4.38Å; L273-M494 HydrophobicContact CB-CE 3.74Å; L273-M494 HydrophobicContact CD1-CE 4.33Å; L273-M494 HydrophobicContact CD2-CE 4.4Å; L273-M494 HydrophobicContact CG-CE 4.38Å; Y468-M494 HydrophobicContact CD1-CB 4.22Å; Y468-M494 HydrophobicContact CD1-CE 4.15Å; Y468-M494 HydrophobicContact CD2-CE 3.29Å; Y468-M494 HydrophobicContact CD2-CG 4.28Å; Y468-M494 HydrophobicContact CD2-SD 4.45Å; Y468-M494 HydrophobicContact CE1-CB 3.93Å; Y468-M494 HydrophobicContact CE1-CG 4.21Å; Y468-M494 HydrophobicContact CE2-CB 4.47Å; Y468-M494 HydrophobicContact CE2-CE 3.84Å; Y468-M494 HydrophobicContact CE2-CG 3.87Å; Y468-M494 HydrophobicContact CE2-SD 4.47Å; Y468-M494 HydrophobicContact CG-CE 3.48Å; Y468-M494 VanDerWaalsContact CG-CE 3.48Å; T490-M494 WeakPolarHBondContact O-CB 3.5Å; T490-M494 PolarHBondContact O-N 2.95Å; V491-M494 WeakPolarHBondContact O-CB 3.49Å; V491-M494 PolarHBondContact O-N 3.35Å; M494-K496 VanDerWaalsContact C-N 3.33Å; M494-K496 PolarHBondContact O-N 3.1Å; M494-D497 WeakPolarHBondContact O-CB 3.28Å; M494-D497 PolarHBondContact O-N 3.04Å; M494-D497 VanDerWaalsContact O-N 3.08Å; M494-I498 HydrophobicContact CG-CD1 4.34Å; M494-I498 WeakPolarHBondContact O-CG1 3.49Å; M494-I498 PolarHBondContact O-N 3.17Å
495I97.1Very high94.8Very high22 Ų2242.6 Ų42.611%0.11322%0.22CC..Hα-helixtrans-60.8-43.1177.4-63.2-55.8000110.5Q22 V491 D497 I498 E499Q22-I495 HydrophobicContact CB-CD1 4Å; Q22-I495 HydrophobicContact CG-CD1 3.95Å; Q22-I495 HydrophobicContact CG-CG1 4.25Å; V491-I495 HydrophobicContact CG1-CG1 4.01Å; V491-I495 WeakPolarHBondContact O-CG1 3.48Å; V491-I495 PolarHBondContact O-N 3.38Å; I495-D497 VanDerWaalsContact C-N 3.28Å; I495-D497 PolarHBondContact O-N 2.99Å; I495-I498 HydrophobicContact CD1-CD1 4.16Å; I495-I498 WeakPolarHBondContact O-CB 3.5Å; I495-I498 PolarHBondContact O-N 2.9Å; I495-I498 VanDerWaalsContact O-N 3.11Å; I495-E499 HydrophobicContact CG2-CG 4.29Å; I495-E499 WeakPolarHBondContact O-CG 3.41Å; I495-E499 PolarHBondContact O-N 2.6Å
496K96.2Very high94.8Very high76 Ų7644.2 Ų44.233%0.3323%0.227SC..Hα-helixtrans-59-37.8173.6-72.7169.7-157.5167.10112.8D492 E493 M494 R500D492-K496 VanDerWaalsContact O-CG 3.23Å; D492-K496 WeakPolarHBondContact O-CG 3.42Å; D492-K496 PolarHBondContact O-N 3.06Å; D492-K496 VanDerWaalsContact O-N 3.16Å; E493-K496 PolarHBondContact O-N 3.02Å; E493-K496 WeakPolarHBondContact OE1-CD 3.29Å; E493-K496 IonicContact OE1-NZ 2.83Å; E493-K496 PolarHBondContact OE1-NZ 3.39Å; M494-K496 VanDerWaalsContact C-N 3.33Å; M494-K496 PolarHBondContact O-N 3.1Å; K496-R500 WeakPolarHBondContact O-CB 3.43Å; K496-R500 VanDerWaalsContact O-CD 3.3Å; K496-R500 WeakPolarHBondContact O-CD 3.25Å; K496-R500 WeakPolarHBondContact O-CG 3.25Å; K496-R500 PolarHBondContact O-N 2.79Å; K496-R500 VanDerWaalsContact O-N 3.11Å
497D96.1Very high94.7Very high5 Ų546.9 Ų46.93%0.02724%0.242CC..Hα-helixtrans-68.1-41175.8-71.5-26.4000111.1R144 Y468 E493 M494 I495 R500 G501 V502R144-D497 IonicContact CZ-OD1 3.07Å; R144-D497 VanDerWaalsContact CZ-OD1 3.28Å; R144-D497 IonicContact CZ-OD2 2.8Å; R144-D497 IonicContact NH1-OD1 3.18Å; R144-D497 PolarHBondContact NH1-OD1 2.59Å; R144-D497 IonicContact NH1-OD2 2.67Å; R144-D497 PolarHBondContact NH1-OD2 3.29Å; R144-D497 IonicContact NH2-OD1 2.59Å; R144-D497 PolarHBondContact NH2-OD1 3.38Å; R144-D497 IonicContact NH2-OD2 3.22Å; R144-D497 PolarHBondContact NH2-OD2 2.94Å; Y468-D497 WeakPolarHBondContact CE1-OD2 3.35Å; Y468-D497 VanDerWaalsContact OH-CB 3.3Å; Y468-D497 WeakPolarHBondContact OH-CB 3.27Å; Y468-D497 PolarHBondContact OH-OD2 2.89Å; E493-D497 PolarHBondContact O-N 3.12Å; M494-D497 WeakPolarHBondContact O-CB 3.28Å; M494-D497 PolarHBondContact O-N 3.04Å; M494-D497 VanDerWaalsContact O-N 3.08Å; I495-D497 VanDerWaalsContact C-N 3.28Å; I495-D497 PolarHBondContact O-N 2.99Å; D497-R500 CarbonylContact O-C 3.39Å; D497-R500 PolarHBondContact O-N 3.14Å; D497-G501 PolarHBondContact O-N 2.87Å; D497-G501 VanDerWaalsContact O-N 3.09Å; D497-V502 HydrophobicContact CB-CB 4.28Å; D497-V502 PolarHBondContact O-N 2.84Å
498I95.6Very high94.4Very high25 Ų2550.1 Ų50.113%0.12826%0.258CS..Hα-helixtrans-58.5-50.1174.2-66.4175.2000110.8M1 I3 H24 K271 M494 I495 R500 G501M1-I498 HydrophobicContact CE-CB 4.47Å; M1-I498 HydrophobicContact CE-CG1 4.41Å; M1-I498 HydrophobicContact CE-CG2 3.84Å; M1-I498 HydrophobicContact SD-CB 4.28Å; M1-I498 HydrophobicContact SD-CD1 3.95Å; M1-I498 HydrophobicContact SD-CG1 3.67Å; M1-I498 HydrophobicContact SD-CG2 3.83Å; I3-I498 HydrophobicContact CD1-CD1 4.06Å; H24-I498 WeakPolarHBondContact NE2-CD1 3.38Å; K271-I498 HydrophobicContact CD-CD1 4.16Å; K271-I498 HydrophobicContact CD-CG1 3.83Å; M494-I498 HydrophobicContact CG-CD1 4.34Å; M494-I498 WeakPolarHBondContact O-CG1 3.49Å; M494-I498 PolarHBondContact O-N 3.17Å; I495-I498 HydrophobicContact CD1-CD1 4.16Å; I495-I498 WeakPolarHBondContact O-CB 3.5Å; I495-I498 PolarHBondContact O-N 2.9Å; I495-I498 VanDerWaalsContact O-N 3.11Å; I498-R500 PolarHBondContact O-N 3.08Å; I498-G501 PolarHBondContact O-N 3.41Å
499E94.4Very high94.2Very high152 Ų15249.4 Ų49.471%0.7126%0.258SS*.Hα-helixtrans-61.9-30.7178.9-71.2174.216700112.7I495 G501I495-E499 HydrophobicContact CG2-CG 4.29Å; I495-E499 WeakPolarHBondContact O-CG 3.41Å; I495-E499 PolarHBondContact O-N 2.6Å; E499-G501 VanDerWaalsContact C-N 3.32Å
500R92.8Very high94Very high166 Ų16652.5 Ų52.563%0.62627%0.274SS*.THydrogen-bonded Turntrans-84-5.6175.9-70.1169-179.1167.10.7113.5K496 D497 I498 V502K496-R500 WeakPolarHBondContact O-CB 3.43Å; K496-R500 VanDerWaalsContact O-CD 3.3Å; K496-R500 WeakPolarHBondContact O-CD 3.25Å; K496-R500 WeakPolarHBondContact O-CG 3.25Å; K496-R500 PolarHBondContact O-N 2.79Å; K496-R500 VanDerWaalsContact O-N 3.11Å; D497-R500 CarbonylContact O-C 3.39Å; D497-R500 PolarHBondContact O-N 3.14Å; I498-R500 PolarHBondContact O-N 3.08Å; R500-V502 VanDerWaalsContact C-N 3.31Å; R500-V502 HydrophobicContact CB-CG2 3.91Å
501G88.2Confident93.7Very high66 Ų6656.9 Ų56.968%0.6830%0.297SS*.THydrogen-bonded Turntrans66.729.9-175.800000113.8D497 I498 E499D497-G501 PolarHBondContact O-N 2.87Å; D497-G501 VanDerWaalsContact O-N 3.09Å; I498-G501 PolarHBondContact O-N 3.41Å; E499-G501 VanDerWaalsContact C-N 3.32Å
502V75.1Confident93.3Very high69 Ų6961.7 Ų61.742%0.41832%0.322SS..  trans-92.10-178.5176.10000111.7R256 K271 D497 R500R256-V502 PolarHBondContact NH2-OXT 3.37Å; K271-V502 PolarHBondContact NZ-O 3.06Å; D497-V502 HydrophobicContact CB-CB 4.28Å; D497-V502 PolarHBondContact O-N 2.84Å; R500-V502 VanDerWaalsContact C-N 3.31Å; R500-V502 HydrophobicContact CB-CG2 3.91Å

Retrieved 502 of 502 residues in 350.1 ms (Link to these results)

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