A0A077ZQG4_TRITR Loading...

FANCI HD2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZQG4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 481 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
1M77.4Confident89.3Confident133 Ų13376.1 Ų76.166%0.65539%0.39SS*.  0134.10-66.3177.87100108.2E5 K6 L9M1-E5 WeakPolarHBondContact CA-OE2 3.49Å; M1-E5 HydrophobicContact CB-CB 4.2Å; M1-E5 HydrophobicContact CE-CB 3.81Å; M1-E5 WeakPolarHBondContact CE-O 3.44Å; M1-K6 HydrophobicContact CB-CG 3.65Å; M1-K6 HydrophobicContact CE-CG 4.47Å; M1-K6 WeakPolarHBondContact O-CE 3.04Å; M1-K6 HydrophobicContact SD-CG 4.46Å; M1-L9 HydrophobicContact CE-CB 3.9Å; M1-L9 HydrophobicContact CE-CD2 3.71Å; M1-L9 HydrophobicContact CE-CG 4.44Å; M1-L9 HydrophobicContact SD-CD2 4Å
2S87.6Confident89.6Confident59 Ų5978.1 Ų78.141%0.41340%0.401SS..  trans-62.9157.7167.262.40000110.8T4 E5 K6S2-T4 PolarHBondContact O-N 2.86Å; S2-E5 PolarHBondContact N-OE2 3.24Å; S2-E5 PolarHBondContact O-N 3.11Å; S2-E5 WeakPolarHBondContact OG-CG 3.27Å; S2-E5 PolarHBondContact OG-N 2.86Å; S2-E5 PolarHBondContact OG-OE2 2.92Å; S2-K6 WeakPolarHBondContact O-CG 3.37Å; S2-K6 PolarHBondContact O-N 3.38Å
3D85.6Confident89.9Confident113 Ų11375.6 Ų75.660%0.60439%0.388SS*.Hα-helixtrans-58.6-33.9178.6-66.7-22.7000112.2K6 N7D3-K6 PolarHBondContact O-N 2.81Å; D3-N7 WeakPolarHBondContact O-CB 3.49Å; D3-N7 PolarHBondContact O-N 2.6Å; D3-N7 PolarHBondContact O-ND2 3.29Å
4T89.3Confident90.1Very high90 Ų9070.4 Ų70.455%0.55236%0.361SS*.Hα-helixtrans-64.2-43175-52.80000111.9S2 K8S2-T4 PolarHBondContact O-N 2.86Å; T4-K8 WeakPolarHBondContact O-CG 3.41Å; T4-K8 PolarHBondContact O-N 2.74Å; T4-K8 VanDerWaalsContact O-N 3.09Å
5E91.2Very high90.2Very high104 Ų10471.9 Ų71.949%0.48637%0.371SS..Hα-helixtrans-68-41177-70.8164.1149.600111.5M1 S2 K8 L9M1-E5 WeakPolarHBondContact CA-OE2 3.49Å; M1-E5 HydrophobicContact CB-CB 4.2Å; M1-E5 HydrophobicContact CE-CB 3.81Å; M1-E5 WeakPolarHBondContact CE-O 3.44Å; S2-E5 PolarHBondContact N-OE2 3.24Å; S2-E5 PolarHBondContact O-N 3.11Å; S2-E5 WeakPolarHBondContact OG-CG 3.27Å; S2-E5 PolarHBondContact OG-N 2.86Å; S2-E5 PolarHBondContact OG-OE2 2.92Å; E5-K8 PolarHBondContact O-N 2.84Å; E5-L9 WeakPolarHBondContact O-CB 3.48Å; E5-L9 PolarHBondContact O-N 3.46Å
6K90.3Very high90.4Very high39 Ų3971.3 Ų71.317%0.1737%0.374CS..Hα-helixtrans-61.3-45.6176.5-68.1-179.9-174.8176.30111.3M1 S2 D3 K8 L9 F10 E39M1-K6 HydrophobicContact CB-CG 3.65Å; M1-K6 HydrophobicContact CE-CG 4.47Å; M1-K6 WeakPolarHBondContact O-CE 3.04Å; M1-K6 HydrophobicContact SD-CG 4.46Å; S2-K6 WeakPolarHBondContact O-CG 3.37Å; S2-K6 PolarHBondContact O-N 3.38Å; D3-K6 PolarHBondContact O-N 2.81Å; K6-K8 PolarHBondContact O-N 3.08Å; K6-L9 PolarHBondContact O-N 3.37Å; K6-F10 WeakPolarHBondContact O-CB 3.47Å; K6-F10 PolarHBondContact O-N 3.27Å; K6-E39 VanDerWaalsContact CE-OE1 3.24Å; K6-E39 WeakPolarHBondContact CE-OE1 3.31Å; K6-E39 IonicContact NZ-OE1 2.78Å; K6-E39 PolarHBondContact NZ-OE1 3.22Å; K6-E39 IonicContact NZ-OE2 3.34Å; K6-E39 PolarHBondContact NZ-OE2 3.03Å
7N90.2Very high90.4Very high43 Ų4367.1 Ų67.123%0.2335%0.352CS..Hα-helixtrans-59.4-46.7176.4-84.5-66.4000111.5D3 F10 E11 Y44D3-N7 WeakPolarHBondContact O-CB 3.49Å; D3-N7 PolarHBondContact O-N 2.6Å; D3-N7 PolarHBondContact O-ND2 3.29Å; N7-F10 PolarHBondContact O-N 2.87Å; N7-E11 WeakPolarHBondContact O-CG 3.43Å; N7-E11 PolarHBondContact O-N 2.92Å; N7-Y44 PolarHBondContact N-OH 3.04Å; N7-Y44 WeakPolarHBondContact OD1-CE1 3.37Å
8K92.4Very high90.2Very high139 Ų13966.9 Ų66.960%0.60435%0.354SS*.Hα-helixtrans-61.4-44.8177.6-74.8177.3179.4-177.60112T4 E5 K6 F10 E11 I12T4-K8 WeakPolarHBondContact O-CG 3.41Å; T4-K8 PolarHBondContact O-N 2.74Å; T4-K8 VanDerWaalsContact O-N 3.09Å; E5-K8 PolarHBondContact O-N 2.84Å; K6-K8 PolarHBondContact O-N 3.08Å; K8-F10 VanDerWaalsContact C-N 3.35Å; K8-E11 PolarHBondContact O-N 3.02Å; K8-I12 VanDerWaalsContact O-CG1 3.29Å; K8-I12 WeakPolarHBondContact O-CG1 3.31Å; K8-I12 PolarHBondContact O-N 3.42Å; K8-I12 VanDerWaalsContact O-N 3.11Å
9L92.8Very high90.1Very high63 Ų6371.8 Ų71.833%0.3338%0.375SS..Hα-helixtrans-61.9-43.3177.2178.663.7000111.5M1 E5 K6 I12 L13 F36M1-L9 HydrophobicContact CE-CB 3.9Å; M1-L9 HydrophobicContact CE-CD2 3.71Å; M1-L9 HydrophobicContact CE-CG 4.44Å; M1-L9 HydrophobicContact SD-CD2 4Å; E5-L9 WeakPolarHBondContact O-CB 3.48Å; E5-L9 PolarHBondContact O-N 3.46Å; K6-L9 PolarHBondContact O-N 3.37Å; L9-I12 PolarHBondContact O-N 3.25Å; L9-L13 HydrophobicContact CD1-CD1 4.16Å; L9-L13 HydrophobicContact CD1-CG 4.31Å; L9-L13 HydrophobicContact CG-CD1 3.98Å; L9-L13 VanDerWaalsContact O-CG 3.32Å; L9-L13 WeakPolarHBondContact O-CG 3.37Å; L9-L13 PolarHBondContact O-N 3.22Å; L9-F36 HydrophobicContact CD2-CZ 4.28Å; L9-F36 HydrophobicContact CG-CZ 4.26Å
10F92.8Very high90.1Very high3 Ų370.4 Ų70.41%0.01337%0.367CS..Hα-helixtrans-59.9-47.9178-180-94.8000112K6 N7 K8 I12 L13 M14 L32 F36 Y44 R47K6-F10 WeakPolarHBondContact O-CB 3.47Å; K6-F10 PolarHBondContact O-N 3.27Å; N7-F10 PolarHBondContact O-N 2.87Å; K8-F10 VanDerWaalsContact C-N 3.35Å; F10-I12 PolarHBondContact O-N 3.4Å; F10-L13 PolarHBondContact O-N 3.45Å; F10-M14 HydrophobicContact CD1-CG 3.95Å; F10-M14 HydrophobicContact CE1-CG 3.44Å; F10-M14 VanDerWaalsContact CE1-CG 3.44Å; F10-M14 HydrophobicContact CE1-SD 4.09Å; F10-M14 HydrophobicContact CE2-CG 4.23Å; F10-M14 HydrophobicContact CE2-SD 4.2Å; F10-M14 HydrophobicContact CZ-CG 3.59Å; F10-M14 HydrophobicContact CZ-SD 3.62Å; F10-M14 WeakPolarHBondContact O-CG 3.36Å; F10-M14 PolarHBondContact O-N 2.59Å; F10-L32 HydrophobicContact CD2-CD1 4.29Å; F10-L32 HydrophobicContact CE2-CD1 4.32Å; F10-L32 HydrophobicContact CE2-CD2 4.09Å; F10-L32 HydrophobicContact CE2-CG 4.37Å; F10-F36 HydrophobicContact CB-CD1 4.48Å; F10-F36 HydrophobicContact CB-CE1 3.86Å; F10-F36 HydrophobicContact CB-CE2 4.43Å; F10-F36 HydrophobicContact CB-CZ 3.83Å; F10-F36 HydrophobicContact CD2-CD1 4.07Å; F10-F36 AromaticContact CD2-CD2 3.85Å; F10-F36 HydrophobicContact CD2-CD2 3.85Å; F10-F36 HydrophobicContact CD2-CE1 4.18Å; F10-F36 AromaticContact CD2-CE2 3.99Å; F10-F36 HydrophobicContact CD2-CE2 3.99Å; F10-F36 AromaticContact CD2-CG 3.89Å; F10-F36 HydrophobicContact CD2-CG 3.89Å; F10-F36 HydrophobicContact CD2-CZ 4.14Å; F10-F36 HydrophobicContact CG-CE1 4.5Å; F10-Y44 HydrophobicContact CB-CD1 4.09Å; F10-Y44 HydrophobicContact CB-CE1 3.88Å; F10-Y44 AromaticContact CD1-CD1 3.5Å; F10-Y44 HydrophobicContact CD1-CD1 3.5Å; F10-Y44 VanDerWaalsContact CD1-CD1 3.5Å; F10-Y44 HydrophobicContact CD1-CE1 4.02Å; F10-Y44 HydrophobicContact CD1-CG 4.25Å; F10-Y44 AromaticContact CD2-CD1 3.88Å; F10-Y44 HydrophobicContact CD2-CD1 3.88Å; F10-Y44 HydrophobicContact CD2-CD2 4.41Å; F10-Y44 HydrophobicContact CD2-CE1 4.46Å; F10-Y44 AromaticContact CD2-CG 3.87Å; F10-Y44 HydrophobicContact CD2-CG 3.87Å; F10-Y44 AromaticContact CE1-CD1 3.85Å; F10-Y44 HydrophobicContact CE1-CD1 3.85Å; F10-Y44 HydrophobicContact CE1-CG 4.35Å; F10-Y44 HydrophobicContact CE2-CD1 4.21Å; F10-Y44 AromaticContact CE2-CG 3.98Å; F10-Y44 HydrophobicContact CE2-CG 3.98Å; F10-Y44 AromaticContact CG-CD1 3.51Å; F10-Y44 HydrophobicContact CG-CD1 3.51Å; F10-Y44 AromaticContact CG-CE1 3.85Å; F10-Y44 HydrophobicContact CG-CE1 3.85Å; F10-Y44 HydrophobicContact CG-CG 4.01Å; F10-Y44 HydrophobicContact CZ-CD1 4.2Å; F10-Y44 HydrophobicContact CZ-CG 4.23Å; F10-Y44 WeakPolarHBondContact CZ-O 3.48Å; F10-R47 HydrophobicContact CE1-CB 3.85Å; F10-R47 HydrophobicContact CE1-CG 3.9Å; F10-R47 HydrophobicContact CZ-CB 4.29Å
11E92.6Very high90Very high51 Ų5172.4 Ų72.424%0.23838%0.378CS..Hα-helixtrans-62.2-42178.4-61-59160.900111.7N7 K8 L13 M14 D15 K43N7-E11 WeakPolarHBondContact O-CG 3.43Å; N7-E11 PolarHBondContact O-N 2.92Å; K8-E11 PolarHBondContact O-N 3.02Å; E11-L13 VanDerWaalsContact C-N 3.3Å; E11-L13 PolarHBondContact O-N 2.87Å; E11-M14 WeakPolarHBondContact O-CB 3.26Å; E11-M14 PolarHBondContact O-N 3.31Å; E11-D15 PolarHBondContact O-N 3.5Å; E11-K43 WeakPolarHBondContact OE1-CE 3.42Å; E11-K43 IonicContact OE1-NZ 2.88Å; E11-K43 PolarHBondContact OE1-NZ 2.95Å
12I93.5Very high90.5Very high100 Ų10067 Ų6751%0.51335%0.352SS..Hα-helixtrans-58.9-43.4175.8-68.2165.3000111K8 L9 F10 D15 C16K8-I12 VanDerWaalsContact O-CG1 3.29Å; K8-I12 WeakPolarHBondContact O-CG1 3.31Å; K8-I12 PolarHBondContact O-N 3.42Å; K8-I12 VanDerWaalsContact O-N 3.11Å; L9-I12 PolarHBondContact O-N 3.25Å; F10-I12 PolarHBondContact O-N 3.4Å; I12-D15 PolarHBondContact O-N 2.92Å; I12-C16 PolarHBondContact O-N 2.94Å; I12-C16 PolarHBondContact O-SG 3.43Å
13L93.6Very high90.5Very high46 Ų4672.4 Ų72.424%0.24137%0.371CS..Hα-helixtrans-68.4-36.1178.4-68.6168.9000112.2L9 F10 E11 C16 M17 F28 L32 F36L9-L13 HydrophobicContact CD1-CD1 4.16Å; L9-L13 HydrophobicContact CD1-CG 4.31Å; L9-L13 HydrophobicContact CG-CD1 3.98Å; L9-L13 VanDerWaalsContact O-CG 3.32Å; L9-L13 WeakPolarHBondContact O-CG 3.37Å; L9-L13 PolarHBondContact O-N 3.22Å; F10-L13 PolarHBondContact O-N 3.45Å; E11-L13 VanDerWaalsContact C-N 3.3Å; E11-L13 PolarHBondContact O-N 2.87Å; L13-C16 PolarHBondContact O-N 2.8Å; L13-M17 PolarHBondContact O-N 2.62Å; L13-F28 HydrophobicContact CB-CE1 4.36Å; L13-F28 HydrophobicContact CB-CZ 4.12Å; L13-F28 HydrophobicContact CD2-CZ 3.92Å; L13-F28 VanDerWaalsContact O-CE1 3.31Å; L13-F28 WeakPolarHBondContact O-CE1 3.32Å; L13-F28 WeakPolarHBondContact O-CZ 3.42Å; L13-L32 HydrophobicContact CB-CD1 3.84Å; L13-L32 HydrophobicContact CD1-CD1 3.89Å; L13-F36 HydrophobicContact CD1-CE2 3.64Å; L13-F36 HydrophobicContact CD1-CZ 4.18Å
14M92.5Very high90.8Very high2 Ų270.6 Ų70.61%0.0136%0.361CS..Hα-helixtrans-63.5-42.7172.8-72.5-60.3-52.700111.5F10 E11 M17 V18 L32 R47 L48 F51F10-M14 HydrophobicContact CD1-CG 3.95Å; F10-M14 HydrophobicContact CE1-CG 3.44Å; F10-M14 VanDerWaalsContact CE1-CG 3.44Å; F10-M14 HydrophobicContact CE1-SD 4.09Å; F10-M14 HydrophobicContact CE2-CG 4.23Å; F10-M14 HydrophobicContact CE2-SD 4.2Å; F10-M14 HydrophobicContact CZ-CG 3.59Å; F10-M14 HydrophobicContact CZ-SD 3.62Å; F10-M14 WeakPolarHBondContact O-CG 3.36Å; F10-M14 PolarHBondContact O-N 2.59Å; E11-M14 WeakPolarHBondContact O-CB 3.26Å; E11-M14 PolarHBondContact O-N 3.31Å; M14-M17 HydrophobicContact CE-CE 3.27Å; M14-M17 WeakPolarHBondContact O-CB 2.99Å; M14-M17 PolarHBondContact O-N 2.74Å; M14-M17 VanDerWaalsContact O-N 3.16Å; M14-M17 HydrophobicContact SD-CE 3.45Å; M14-M17 WeakPolarHBondContact SD-CE 3.49Å; M14-V18 PolarHBondContact O-N 2.86Å; M14-L32 HydrophobicContact SD-CD2 3.84Å; M14-R47 HydrophobicContact CE-CG 4.18Å; M14-R47 HydrophobicContact CG-CG 4.16Å; M14-L48 HydrophobicContact CE-CD1 4.47Å; M14-L48 HydrophobicContact SD-CD1 4.17Å; M14-F51 HydrophobicContact CE-CB 3.56Å; M14-F51 HydrophobicContact CE-CG 3.99Å
15D91.8Very high90.9Very high94 Ų9466.3 Ų66.350%0.50334%0.335SS..Hα-helixtrans-63.1-42.2176.3-69.5-20.1000111E11 I12 M17 V18E11-D15 PolarHBondContact O-N 3.5Å; I12-D15 PolarHBondContact O-N 2.92Å; D15-M17 VanDerWaalsContact C-N 3.29Å; D15-M17 PolarHBondContact O-N 3.43Å; D15-V18 PolarHBondContact O-N 2.56Å
16C92.4Very high91Very high62 Ų6262 Ų6242%0.41932%0.316SS..Hα-helixtrans-59.2-40.7172.5-68.20000112.2I12 L13 V18 E19 L20 F28I12-C16 PolarHBondContact O-N 2.94Å; I12-C16 PolarHBondContact O-SG 3.43Å; L13-C16 PolarHBondContact O-N 2.8Å; C16-V18 VanDerWaalsContact C-N 3.26Å; C16-V18 PolarHBondContact O-N 3.02Å; C16-E19 PolarHBondContact O-N 3.14Å; C16-L20 PolarHBondContact O-N 3.28Å; C16-F28 HydrophobicContact CB-CZ 4.25Å
17M90.6Very high91.1Very high0 Ų064.9 Ų64.90%033%0.333CS..Hα-helixtrans-65.4-28.9-178.4-167.5172.648.500112.9L13 M14 D15 E19 L20 I25 F28 A29 L32 L48 F51L13-M17 PolarHBondContact O-N 2.62Å; M14-M17 HydrophobicContact CE-CE 3.27Å; M14-M17 WeakPolarHBondContact O-CB 2.99Å; M14-M17 PolarHBondContact O-N 2.74Å; M14-M17 VanDerWaalsContact O-N 3.16Å; M14-M17 HydrophobicContact SD-CE 3.45Å; M14-M17 WeakPolarHBondContact SD-CE 3.49Å; D15-M17 VanDerWaalsContact C-N 3.29Å; D15-M17 PolarHBondContact O-N 3.43Å; M17-E19 VanDerWaalsContact C-N 3.3Å; M17-E19 PolarHBondContact O-N 3.27Å; M17-L20 HydrophobicContact CG-CD1 4.35Å; M17-L20 PolarHBondContact O-N 3.44Å; M17-I25 HydrophobicContact CG-CG2 4.26Å; M17-I25 HydrophobicContact SD-CG2 4.28Å; M17-F28 HydrophobicContact CB-CD1 3.82Å; M17-F28 HydrophobicContact CB-CE1 3.75Å; M17-F28 HydrophobicContact CG-CD1 3.74Å; M17-F28 HydrophobicContact CG-CE1 4.2Å; M17-F28 HydrophobicContact CG-CG 4.48Å; M17-F28 HydrophobicContact SD-CD1 3.79Å; M17-F28 HydrophobicContact SD-CE1 4.35Å; M17-A29 HydrophobicContact SD-CB 4.46Å; M17-L32 HydrophobicContact CE-CD2 4.41Å; M17-L48 HydrophobicContact CE-CD1 3.86Å; M17-F51 HydrophobicContact CB-CZ 4.47Å; M17-F51 HydrophobicContact CE-CB 4.45Å; M17-F51 HydrophobicContact CE-CD1 3.34Å; M17-F51 HydrophobicContact CE-CD2 4.5Å; M17-F51 HydrophobicContact CE-CE1 3.58Å; M17-F51 HydrophobicContact CE-CG 3.84Å; M17-F51 HydrophobicContact CE-CZ 4.25Å; M17-F51 HydrophobicContact CG-CD1 4.45Å; M17-F51 HydrophobicContact CG-CE1 3.7Å; M17-F51 HydrophobicContact CG-CZ 3.81Å; M17-F51 HydrophobicContact SD-CD1 4.04Å; M17-F51 HydrophobicContact SD-CE1 3.72Å; M17-F51 HydrophobicContact SD-CZ 4.43Å
18V87.3Confident91.3Very high64 Ų6465.1 Ų65.139%0.38833%0.332SS..Hα-helixtrans-63.5-38175.3174.50000111.6M14 D15 C16 L20 F51 R58M14-V18 PolarHBondContact O-N 2.86Å; D15-V18 PolarHBondContact O-N 2.56Å; C16-V18 VanDerWaalsContact C-N 3.26Å; C16-V18 PolarHBondContact O-N 3.02Å; V18-L20 VanDerWaalsContact C-N 3.3Å; V18-L20 PolarHBondContact O-N 3.36Å; V18-F51 HydrophobicContact CB-CE2 4.31Å; V18-F51 HydrophobicContact CG2-CD2 3.91Å; V18-F51 HydrophobicContact CG2-CE2 3.7Å; V18-R58 PolarHBondContact O-NH1 3.42Å
19E88.5Confident91.4Very high160 Ų16058.5 Ų58.575%0.74830%0.303SS*.THydrogen-bonded Turntrans-79.6-9.1-178.4-60.9-58.6139.500113.6C16 M17C16-E19 PolarHBondContact O-N 3.14Å; M17-E19 VanDerWaalsContact C-N 3.3Å; M17-E19 PolarHBondContact O-N 3.27Å
20L89.7Confident91.4Very high42 Ų4258.6 Ų58.622%0.2230%0.304CS..SBendtrans-72.1149.5-179.6-67.3176.2000112.5C16 M17 V18 D24 I25 F28 R58C16-L20 PolarHBondContact O-N 3.28Å; M17-L20 HydrophobicContact CG-CD1 4.35Å; M17-L20 PolarHBondContact O-N 3.44Å; V18-L20 VanDerWaalsContact C-N 3.3Å; V18-L20 PolarHBondContact O-N 3.36Å; L20-D24 HydrophobicContact CB-CB 4.28Å; L20-D24 HydrophobicContact CD1-CB 4.42Å; L20-D24 HydrophobicContact CD2-CB 4.3Å; L20-I25 HydrophobicContact CB-CG1 3.9Å; L20-F28 HydrophobicContact CD1-CB 3.5Å; L20-F28 VanDerWaalsContact CD1-CB 3.5Å; L20-F28 HydrophobicContact CD1-CD1 4.23Å; L20-F28 HydrophobicContact CD1-CD2 3.61Å; L20-F28 HydrophobicContact CD1-CE2 4.37Å; L20-F28 HydrophobicContact CD1-CG 3.51Å; L20-R58 PolarHBondContact O-NH2 3.15Å
21N87.8Confident91.4Very high113 Ų11365.4 Ų65.460%0.60433%0.333SS*.  trans-64.5149.7163.4-65.6-43.2000109.5E23 D24 I25N21-E23 PolarHBondContact O-N 3.17Å; N21-E23 VanDerWaalsContact O-N 3.12Å; N21-D24 PolarHBondContact O-N 3.46Å; N21-I25 WeakPolarHBondContact O-CG1 3.5Å; N21-I25 PolarHBondContact O-N 2.89Å
22L87.1Confident91.5Very high20 Ų2063.3 Ų63.311%0.10532%0.324CS..THydrogen-bonded Turntrans-58.9-30.6-173.4-171.261.6000113.5D24 I25 P26 L62 A68 I69 A72L22-D24 VanDerWaalsContact C-N 3.33Å; L22-I25 HydrophobicContact CD1-CD1 4.07Å; L22-P26 WeakPolarHBondContact O-CD 3.41Å; L22-L62 HydrophobicContact CD2-CD1 3.58Å; L22-A68 VanDerWaalsContact CD2-C 3.47Å; L22-A68 HydrophobicContact CD2-CB 3.69Å; L22-A68 WeakPolarHBondContact CD2-O 3.2Å; L22-I69 HydrophobicContact CD1-CG1 4.36Å; L22-I69 HydrophobicContact CD2-CG1 3.8Å; L22-A72 HydrophobicContact CD1-CB 3.56Å; L22-A72 HydrophobicContact CG-CB 3.8Å
23E87.6Confident91.4Very high172 Ų17258.8 Ų58.880%0.80430%0.3SS*.THydrogen-bonded Turntrans-69.9-28.5178.4-60.3173.2-163.400112.8N21N21-E23 PolarHBondContact O-N 3.17Å; N21-E23 VanDerWaalsContact O-N 3.12Å
24D92.1Very high91.3Very high76 Ų7660.7 Ų60.741%0.40632%0.318SS..THydrogen-bonded Turntrans-87.6-23.8-177.7-63.4-51.3000112.5L20 N21 L22 N27 F28L20-D24 HydrophobicContact CB-CB 4.28Å; L20-D24 HydrophobicContact CD1-CB 4.42Å; L20-D24 HydrophobicContact CD2-CB 4.3Å; N21-D24 PolarHBondContact O-N 3.46Å; L22-D24 VanDerWaalsContact C-N 3.33Å; D24-N27 PolarHBondContact O-N 3.08Å; D24-F28 PolarHBondContact O-N 2.79Å
25I93.1Very high91.1Very high0 Ų064.4 Ų64.40%034%0.341CS..Hα-helixtrans-57.1-46.8-175.8-65.4173.6000112.2M17 L20 N21 L22 N27 F28 A29 F51 L55 I76M17-I25 HydrophobicContact CG-CG2 4.26Å; M17-I25 HydrophobicContact SD-CG2 4.28Å; L20-I25 HydrophobicContact CB-CG1 3.9Å; N21-I25 WeakPolarHBondContact O-CG1 3.5Å; N21-I25 PolarHBondContact O-N 2.89Å; L22-I25 HydrophobicContact CD1-CD1 4.07Å; I25-N27 PolarHBondContact O-N 3.48Å; I25-F28 PolarHBondContact O-N 3.31Å; I25-A29 WeakPolarHBondContact O-CB 3.37Å; I25-A29 PolarHBondContact O-N 2.91Å; I25-F51 HydrophobicContact CD1-CE1 4.44Å; I25-F51 HydrophobicContact CD1-CZ 4.06Å; I25-F51 HydrophobicContact CG2-CE1 3.88Å; I25-F51 HydrophobicContact CG2-CZ 4.45Å; I25-L55 HydrophobicContact CD1-CD2 3.92Å; I25-I76 HydrophobicContact CG2-CD1 3.72Å
26P91.8Very high90.9Very high13 Ų1360.7 Ų60.78%0.08432%0.32CS..Hα-helixtrans-61.7-41.8-177.5-23.934.2000113.4L22 A29 L30 A72 S75 I76 H79L22-P26 WeakPolarHBondContact O-CD 3.41Å; P26-A29 PolarHBondContact O-N 3.05Å; P26-L30 PolarHBondContact O-N 3.08Å; P26-A72 HydrophobicContact CG-CB 4.18Å; P26-S75 VanDerWaalsContact CB-OG 3.32Å; P26-S75 WeakPolarHBondContact CB-OG 3.47Å; P26-I76 HydrophobicContact CB-CG1 4.29Å; P26-I76 HydrophobicContact CG-CG1 4.43Å; P26-H79 PolarHBondContact O-CE1 2.83Å; P26-H79 PolarHBondContact O-ND1 2.84Å
27N93.5Very high90.6Very high99 Ų9958 Ų5853%0.52930%0.302SS..Hα-helixtrans-66.6-39.1176.6-76.3-37.8000111.7D24 I25 K31D24-N27 PolarHBondContact O-N 3.08Å; I25-N27 PolarHBondContact O-N 3.48Å; N27-K31 WeakPolarHBondContact O-CG 2.97Å; N27-K31 PolarHBondContact O-N 3.02Å
28F94.7Very high90.5Very high48 Ų4863.5 Ų63.521%0.21133%0.331CS..Hα-helixtrans-65.6-44.8174.9-169.1-84.2000111.5L13 C16 M17 L20 D24 I25 L30 K31 L32L13-F28 HydrophobicContact CB-CE1 4.36Å; L13-F28 HydrophobicContact CB-CZ 4.12Å; L13-F28 HydrophobicContact CD2-CZ 3.92Å; L13-F28 VanDerWaalsContact O-CE1 3.31Å; L13-F28 WeakPolarHBondContact O-CE1 3.32Å; L13-F28 WeakPolarHBondContact O-CZ 3.42Å; C16-F28 HydrophobicContact CB-CZ 4.25Å; M17-F28 HydrophobicContact CB-CD1 3.82Å; M17-F28 HydrophobicContact CB-CE1 3.75Å; M17-F28 HydrophobicContact CG-CD1 3.74Å; M17-F28 HydrophobicContact CG-CE1 4.2Å; M17-F28 HydrophobicContact CG-CG 4.48Å; M17-F28 HydrophobicContact SD-CD1 3.79Å; M17-F28 HydrophobicContact SD-CE1 4.35Å; L20-F28 HydrophobicContact CD1-CB 3.5Å; L20-F28 VanDerWaalsContact CD1-CB 3.5Å; L20-F28 HydrophobicContact CD1-CD1 4.23Å; L20-F28 HydrophobicContact CD1-CD2 3.61Å; L20-F28 HydrophobicContact CD1-CE2 4.37Å; L20-F28 HydrophobicContact CD1-CG 3.51Å; D24-F28 PolarHBondContact O-N 2.79Å; I25-F28 PolarHBondContact O-N 3.31Å; F28-L30 VanDerWaalsContact C-N 3.32Å; F28-L30 PolarHBondContact O-N 2.91Å; F28-K31 PolarHBondContact O-N 2.96Å; F28-L32 WeakPolarHBondContact O-CB 3.33Å; F28-L32 PolarHBondContact O-N 2.92Å
29A93.3Very high90.5Very high0 Ų064 Ų640%033%0.329CS..Hα-helixtrans-60.3-41.1177.100000111.6M17 I25 P26 K31 L32 L33 F52 I76M17-A29 HydrophobicContact SD-CB 4.46Å; I25-A29 WeakPolarHBondContact O-CB 3.37Å; I25-A29 PolarHBondContact O-N 2.91Å; P26-A29 PolarHBondContact O-N 3.05Å; A29-K31 PolarHBondContact O-N 3.32Å; A29-L32 PolarHBondContact O-N 3.01Å; A29-L33 WeakPolarHBondContact O-CB 3.4Å; A29-L33 VanDerWaalsContact O-CG 3.24Å; A29-L33 WeakPolarHBondContact O-CG 3.46Å; A29-L33 PolarHBondContact O-N 3.14Å; A29-F52 HydrophobicContact CB-CE1 4.43Å; A29-F52 HydrophobicContact CB-CZ 4.17Å; A29-I76 HydrophobicContact CB-CG1 4.2Å
30L93.2Very high90.2Very high66 Ų6657.4 Ų57.435%0.34630%0.301SS..Hα-helixtrans-59.7-46.5174.4-178.860000111.9P26 F28 L33 S34 H79P26-L30 PolarHBondContact O-N 3.08Å; F28-L30 VanDerWaalsContact C-N 3.32Å; F28-L30 PolarHBondContact O-N 2.91Å; L30-L33 PolarHBondContact O-N 3.17Å; L30-S34 PolarHBondContact O-N 3.13Å; L30-H79 HydrophobicContact CD1-CB 4.15Å
31K93.5Very high90.1Very high145 Ų14558 Ų5863%0.6331%0.305SS*.Hα-helixtrans-63.7-43.1176.5-70.8175.3-177.9177.20111.4N27 F28 A29 L33 S34 V35N27-K31 WeakPolarHBondContact O-CG 2.97Å; N27-K31 PolarHBondContact O-N 3.02Å; F28-K31 PolarHBondContact O-N 2.96Å; A29-K31 PolarHBondContact O-N 3.32Å; K31-L33 VanDerWaalsContact C-N 3.32Å; K31-L33 PolarHBondContact O-N 3.33Å; K31-S34 PolarHBondContact O-N 2.68Å; K31-S34 PolarHBondContact O-OG 3.47Å; K31-V35 WeakPolarHBondContact O-CG2 3.41Å; K31-V35 PolarHBondContact O-N 2.88Å
32L93.1Very high89.9Confident7 Ų755.4 Ų55.44%0.03730%0.299CS..Hα-helixtrans-58.9-45.1176.2-172.272.6000111.1F10 L13 M14 M17 F28 A29 S34 V35 F36 L48F10-L32 HydrophobicContact CD2-CD1 4.29Å; F10-L32 HydrophobicContact CE2-CD1 4.32Å; F10-L32 HydrophobicContact CE2-CD2 4.09Å; F10-L32 HydrophobicContact CE2-CG 4.37Å; L13-L32 HydrophobicContact CB-CD1 3.84Å; L13-L32 HydrophobicContact CD1-CD1 3.89Å; M14-L32 HydrophobicContact SD-CD2 3.84Å; M17-L32 HydrophobicContact CE-CD2 4.41Å; F28-L32 WeakPolarHBondContact O-CB 3.33Å; F28-L32 PolarHBondContact O-N 2.92Å; A29-L32 PolarHBondContact O-N 3.01Å; L32-S34 PolarHBondContact O-N 2.82Å; L32-V35 PolarHBondContact O-N 3.32Å; L32-F36 HydrophobicContact CD1-CD2 3.6Å; L32-F36 HydrophobicContact CD1-CE2 3.7Å; L32-F36 HydrophobicContact CG-CD2 4.14Å; L32-F36 WeakPolarHBondContact O-CD2 3.27Å; L32-F36 PolarHBondContact O-N 3Å; L32-L48 HydrophobicContact CD2-CD1 3.86Å
33L92.8Very high89.9Confident5 Ų559.4 Ų59.43%0.02632%0.316CS..Hα-helixtrans-61.6-42.8175.8-72.3169.7000111.6A29 L30 K31 V35 F36 A37 L48 H79 L80 T83 F90A29-L33 WeakPolarHBondContact O-CB 3.4Å; A29-L33 VanDerWaalsContact O-CG 3.24Å; A29-L33 WeakPolarHBondContact O-CG 3.46Å; A29-L33 PolarHBondContact O-N 3.14Å; L30-L33 PolarHBondContact O-N 3.17Å; K31-L33 VanDerWaalsContact C-N 3.32Å; K31-L33 PolarHBondContact O-N 3.33Å; L33-V35 PolarHBondContact O-N 3.18Å; L33-V35 VanDerWaalsContact O-N 3.12Å; L33-F36 PolarHBondContact O-N 3.43Å; L33-A37 WeakPolarHBondContact O-CB 3.37Å; L33-A37 PolarHBondContact O-N 3.21Å; L33-L48 HydrophobicContact CD2-CD2 3.79Å; L33-L48 HydrophobicContact CG-CD2 4.4Å; L33-H79 HydrophobicContact CD1-CB 3.93Å; L33-L80 HydrophobicContact CD1-CD2 3.96Å; L33-L80 HydrophobicContact CD1-CG 4.35Å; L33-L80 HydrophobicContact CD2-CD2 3.78Å; L33-L80 HydrophobicContact CG-CD2 4.5Å; L33-T83 HydrophobicContact CB-CG2 4.33Å; L33-F90 HydrophobicContact CD2-CE1 4.34Å; L33-F90 HydrophobicContact CD2-CE2 3.89Å; L33-F90 HydrophobicContact CD2-CZ 3.52Å
34S90.2Very high90Very high86 Ų8651.6 Ų51.660%0.60128%0.279SS*.Hα-helixtrans-59.3-26.3177.576.50000113.8L30 K31 L32L30-S34 PolarHBondContact O-N 3.13Å; K31-S34 PolarHBondContact O-N 2.68Å; K31-S34 PolarHBondContact O-OG 3.47Å; L32-S34 PolarHBondContact O-N 2.82Å
35V88.3Confident89.7Confident81 Ų8148.2 Ų48.249%0.49126%0.261SS..Hα-helixtrans-90.5-43.8179.8177.50000111.9K31 L32 L33K31-V35 WeakPolarHBondContact O-CG2 3.41Å; K31-V35 PolarHBondContact O-N 2.88Å; L32-V35 PolarHBondContact O-N 3.32Å; L33-V35 PolarHBondContact O-N 3.18Å; L33-V35 VanDerWaalsContact O-N 3.12Å
36F89.4Confident89.3Confident16 Ų1649.4 Ų49.47%0.0727%0.273CS..Hα-helixtrans-104.6-8.2-168.7-69.6-78.7000114.9L9 F10 L13 L32 L33 L38 E39 Y44L9-F36 HydrophobicContact CD2-CZ 4.28Å; L9-F36 HydrophobicContact CG-CZ 4.26Å; F10-F36 HydrophobicContact CB-CD1 4.48Å; F10-F36 HydrophobicContact CB-CE1 3.86Å; F10-F36 HydrophobicContact CB-CE2 4.43Å; F10-F36 HydrophobicContact CB-CZ 3.83Å; F10-F36 HydrophobicContact CD2-CD1 4.07Å; F10-F36 AromaticContact CD2-CD2 3.85Å; F10-F36 HydrophobicContact CD2-CD2 3.85Å; F10-F36 HydrophobicContact CD2-CE1 4.18Å; F10-F36 AromaticContact CD2-CE2 3.99Å; F10-F36 HydrophobicContact CD2-CE2 3.99Å; F10-F36 AromaticContact CD2-CG 3.89Å; F10-F36 HydrophobicContact CD2-CG 3.89Å; F10-F36 HydrophobicContact CD2-CZ 4.14Å; F10-F36 HydrophobicContact CG-CE1 4.5Å; L13-F36 HydrophobicContact CD1-CE2 3.64Å; L13-F36 HydrophobicContact CD1-CZ 4.18Å; L32-F36 HydrophobicContact CD1-CD2 3.6Å; L32-F36 HydrophobicContact CD1-CE2 3.7Å; L32-F36 HydrophobicContact CG-CD2 4.14Å; L32-F36 WeakPolarHBondContact O-CD2 3.27Å; L32-F36 PolarHBondContact O-N 3Å; L33-F36 PolarHBondContact O-N 3.43Å; F36-L38 VanDerWaalsContact C-N 3.32Å; F36-L38 PolarHBondContact O-N 3.03Å; F36-E39 HydrophobicContact CD1-CG 4.47Å; F36-E39 WeakPolarHBondContact O-CB 3.24Å; F36-E39 PolarHBondContact O-N 3.47Å; F36-Y44 HydrophobicContact CB-CD2 4.14Å; F36-Y44 AromaticContact CD1-CD2 3.75Å; F36-Y44 HydrophobicContact CD1-CD2 3.75Å; F36-Y44 AromaticContact CD1-CE2 3.62Å; F36-Y44 HydrophobicContact CD1-CE2 3.62Å; F36-Y44 HydrophobicContact CE1-CE2 4.18Å; F36-Y44 HydrophobicContact CG-CD2 4.28Å
37A85.7Confident89.1Confident4 Ų453 Ų533%0.03329%0.285CS..G310 helixtrans-63-39.4179.300000112.4L33 E39 A40 T83 F90L33-A37 WeakPolarHBondContact O-CB 3.37Å; L33-A37 PolarHBondContact O-N 3.21Å; A37-E39 PolarHBondContact O-N 3.28Å; A37-A40 PolarHBondContact O-N 3.26Å; A37-T83 HydrophobicContact CB-CG2 3.33Å; A37-F90 HydrophobicContact CB-CB 4.21Å; A37-F90 HydrophobicContact CB-CD2 3.87Å; A37-F90 HydrophobicContact CB-CE2 4.43Å; A37-F90 HydrophobicContact CB-CG 4.01Å
38L87.2Confident88.9Confident117 Ų11748.7 Ų48.761%0.61326%0.262SS*.G310 helixtrans-61.1-28.6178.4-70.3170.7000113.3F36 A40 E87F36-L38 VanDerWaalsContact C-N 3.32Å; F36-L38 PolarHBondContact O-N 3.03Å; L38-A40 PolarHBondContact O-N 3.1Å; L38-E87 VanDerWaalsContact CD2-CD 3.47Å; L38-E87 HydrophobicContact CD2-CG 4.36Å; L38-E87 WeakPolarHBondContact CD2-OE1 3.41Å; L38-E87 WeakPolarHBondContact CD2-OE2 3.29Å
39E87.3Confident88.5Confident75 Ų7547.7 Ų47.735%0.3526%0.258SS..G310 helixtrans-70.7-22.1176.5-58.9-68.1156.300111.9K6 F36 A37 N41 Y44K6-E39 VanDerWaalsContact CE-OE1 3.24Å; K6-E39 WeakPolarHBondContact CE-OE1 3.31Å; K6-E39 IonicContact NZ-OE1 2.78Å; K6-E39 PolarHBondContact NZ-OE1 3.22Å; K6-E39 IonicContact NZ-OE2 3.34Å; K6-E39 PolarHBondContact NZ-OE2 3.03Å; F36-E39 HydrophobicContact CD1-CG 4.47Å; F36-E39 WeakPolarHBondContact O-CB 3.24Å; F36-E39 PolarHBondContact O-N 3.47Å; A37-E39 PolarHBondContact O-N 3.28Å; E39-N41 HydrophobicContact CB-CB 4.36Å; E39-N41 PolarHBondContact O-N 3.23Å; E39-Y44 HydrophobicContact CB-CD2 4.35Å; E39-Y44 HydrophobicContact CB-CE2 4.1Å; E39-Y44 HydrophobicContact CG-CE2 4.29Å
40A83.9Confident88.1Confident20 Ų2053.1 Ų53.117%0.16528%0.284CS..THydrogen-bonded Turntrans44.437.3-178.600000113.1A37 L38 N89 T93A37-A40 PolarHBondContact O-N 3.26Å; L38-A40 PolarHBondContact O-N 3.1Å; A40-N89 HydrophobicContact CB-CB 3.83Å; A40-T93 WeakPolarHBondContact O-CB 3.07Å; A40-T93 WeakPolarHBondContact O-CG2 3.13Å; A40-T93 PolarHBondContact O-OG1 3.08Å
41N86.3Confident87.8Confident55 Ų5550.5 Ų50.529%0.29427%0.27SS..  trans-87.9122.4-172-172.7-38.6000110.9E39 K43 Y44 V45E39-N41 HydrophobicContact CB-CB 4.36Å; E39-N41 PolarHBondContact O-N 3.23Å; N41-K43 PolarHBondContact O-N 2.85Å; N41-K43 VanDerWaalsContact OD1-CB 3.29Å; N41-K43 WeakPolarHBondContact OD1-CB 3.4Å; N41-K43 PolarHBondContact OD1-N 2.81Å; N41-Y44 HydrophobicContact CB-CD2 3.5Å; N41-Y44 VanDerWaalsContact CB-CD2 3.5Å; N41-Y44 HydrophobicContact CB-CE2 3.73Å; N41-Y44 HydrophobicContact CB-CG 3.94Å; N41-Y44 PolarHBondContact O-N 3.22Å; N41-Y44 VanDerWaalsContact O-N 3.1Å; N41-V45 PolarHBondContact O-N 3.33Å; N41-V45 VanDerWaalsContact O-N 3.17Å
42A84.9Confident87.4Confident59 Ų5944.4 Ų44.449%0.48824%0.243SC..Hα-helixtrans-59.1-31.4-177.900000113.4G46 T93A42-G46 PolarHBondContact O-N 2.76Å; A42-T93 HydrophobicContact CB-CG2 4.05Å
43K85.8Confident86.8Confident103 Ų10348.7 Ų48.745%0.44827%0.272SS..Hα-helixtrans-64.5-45.4176.5-172-169.3171.4-148.40111.1E11 N41 G46 R47E11-K43 WeakPolarHBondContact OE1-CE 3.42Å; E11-K43 IonicContact OE1-NZ 2.88Å; E11-K43 PolarHBondContact OE1-NZ 2.95Å; N41-K43 PolarHBondContact O-N 2.85Å; N41-K43 VanDerWaalsContact OD1-CB 3.29Å; N41-K43 WeakPolarHBondContact OD1-CB 3.4Å; N41-K43 PolarHBondContact OD1-N 2.81Å; K43-G46 PolarHBondContact O-N 2.67Å; K43-R47 WeakPolarHBondContact O-CB 3.47Å; K43-R47 PolarHBondContact O-N 2.89Å
44Y89.7Confident86.4Confident9 Ų950.7 Ų50.74%0.03529%0.287CS..Hα-helixtrans-65-46.4-179.2-58.4-19.7000110.8N7 F10 F36 E39 N41 R47 L48N7-Y44 PolarHBondContact N-OH 3.04Å; N7-Y44 WeakPolarHBondContact OD1-CE1 3.37Å; F10-Y44 HydrophobicContact CB-CD1 4.09Å; F10-Y44 HydrophobicContact CB-CE1 3.88Å; F10-Y44 AromaticContact CD1-CD1 3.5Å; F10-Y44 HydrophobicContact CD1-CD1 3.5Å; F10-Y44 VanDerWaalsContact CD1-CD1 3.5Å; F10-Y44 HydrophobicContact CD1-CE1 4.02Å; F10-Y44 HydrophobicContact CD1-CG 4.25Å; F10-Y44 AromaticContact CD2-CD1 3.88Å; F10-Y44 HydrophobicContact CD2-CD1 3.88Å; F10-Y44 HydrophobicContact CD2-CD2 4.41Å; F10-Y44 HydrophobicContact CD2-CE1 4.46Å; F10-Y44 AromaticContact CD2-CG 3.87Å; F10-Y44 HydrophobicContact CD2-CG 3.87Å; F10-Y44 AromaticContact CE1-CD1 3.85Å; F10-Y44 HydrophobicContact CE1-CD1 3.85Å; F10-Y44 HydrophobicContact CE1-CG 4.35Å; F10-Y44 HydrophobicContact CE2-CD1 4.21Å; F10-Y44 AromaticContact CE2-CG 3.98Å; F10-Y44 HydrophobicContact CE2-CG 3.98Å; F10-Y44 AromaticContact CG-CD1 3.51Å; F10-Y44 HydrophobicContact CG-CD1 3.51Å; F10-Y44 AromaticContact CG-CE1 3.85Å; F10-Y44 HydrophobicContact CG-CE1 3.85Å; F10-Y44 HydrophobicContact CG-CG 4.01Å; F10-Y44 HydrophobicContact CZ-CD1 4.2Å; F10-Y44 HydrophobicContact CZ-CG 4.23Å; F10-Y44 WeakPolarHBondContact CZ-O 3.48Å; F36-Y44 HydrophobicContact CB-CD2 4.14Å; F36-Y44 AromaticContact CD1-CD2 3.75Å; F36-Y44 HydrophobicContact CD1-CD2 3.75Å; F36-Y44 AromaticContact CD1-CE2 3.62Å; F36-Y44 HydrophobicContact CD1-CE2 3.62Å; F36-Y44 HydrophobicContact CE1-CE2 4.18Å; F36-Y44 HydrophobicContact CG-CD2 4.28Å; E39-Y44 HydrophobicContact CB-CD2 4.35Å; E39-Y44 HydrophobicContact CB-CE2 4.1Å; E39-Y44 HydrophobicContact CG-CE2 4.29Å; N41-Y44 HydrophobicContact CB-CD2 3.5Å; N41-Y44 VanDerWaalsContact CB-CD2 3.5Å; N41-Y44 HydrophobicContact CB-CE2 3.73Å; N41-Y44 HydrophobicContact CB-CG 3.94Å; N41-Y44 PolarHBondContact O-N 3.22Å; N41-Y44 VanDerWaalsContact O-N 3.1Å; Y44-R47 PolarHBondContact O-N 3.44Å; Y44-L48 VanDerWaalsContact O-CB 3.28Å; Y44-L48 WeakPolarHBondContact O-CB 3.38Å; Y44-L48 PolarHBondContact O-N 2.94Å
45V86.4Confident86.1Confident5 Ų546.6 Ų46.63%0.0326%0.258CS..Hα-helixtrans-60.2-48.7176.2175.50000111.3N41 R47 L48 L49 F90 T93 L94 A97N41-V45 PolarHBondContact O-N 3.33Å; N41-V45 VanDerWaalsContact O-N 3.17Å; V45-R47 PolarHBondContact O-N 3.4Å; V45-L48 PolarHBondContact O-N 3.43Å; V45-L49 HydrophobicContact CG1-CD1 3.98Å; V45-L49 HydrophobicContact CG1-CG 4.38Å; V45-L49 VanDerWaalsContact O-CG 3.32Å; V45-L49 WeakPolarHBondContact O-CG 3.41Å; V45-L49 PolarHBondContact O-N 3.31Å; V45-F90 HydrophobicContact CG2-CD2 4.19Å; V45-F90 HydrophobicContact CG2-CE2 3.69Å; V45-F90 HydrophobicContact CG2-CZ 4.44Å; V45-T93 HydrophobicContact CB-CG2 4.44Å; V45-T93 HydrophobicContact CG2-CG2 3.92Å; V45-L94 HydrophobicContact CG1-CD1 3.56Å; V45-A97 HydrophobicContact CB-CB 4.46Å; V45-A97 HydrophobicContact CG1-CB 3.71Å
46G84.9Confident85.7Confident24 Ų2445.8 Ų45.825%0.24725%0.254CS..Hα-helixtrans-58.8-46.3179.700000112.4A42 K43 L48 L49 E50A42-G46 PolarHBondContact O-N 2.76Å; K43-G46 PolarHBondContact O-N 2.67Å; G46-L48 VanDerWaalsContact C-N 3.34Å; G46-L48 PolarHBondContact O-N 3.24Å; G46-L49 PolarHBondContact O-N 3.46Å; G46-E50 WeakPolarHBondContact O-CG 3.49Å; G46-E50 PolarHBondContact O-N 2.96Å
47R87.8Confident85.1Confident90 Ų9048.9 Ų48.934%0.3427%0.274SS..Hα-helixtrans-65.3-37.8179.4-173.157178.91544.9112.8F10 M14 K43 Y44 V45 E50 F51F10-R47 HydrophobicContact CE1-CB 3.85Å; F10-R47 HydrophobicContact CE1-CG 3.9Å; F10-R47 HydrophobicContact CZ-CB 4.29Å; M14-R47 HydrophobicContact CE-CG 4.18Å; M14-R47 HydrophobicContact CG-CG 4.16Å; K43-R47 WeakPolarHBondContact O-CB 3.47Å; K43-R47 PolarHBondContact O-N 2.89Å; Y44-R47 PolarHBondContact O-N 3.44Å; V45-R47 PolarHBondContact O-N 3.4Å; R47-E50 IonicContact NH1-OE2 3.21Å; R47-E50 PolarHBondContact NH1-OE2 3.21Å; R47-E50 PolarHBondContact O-N 2.93Å; R47-F51 PolarHBondContact O-N 2.84Å; R47-F51 VanDerWaalsContact O-N 3.12Å
48L88.3Confident84.6Confident7 Ų751.7 Ų51.74%0.03728%0.284CS..Hα-helixtrans-64-45.1174.9-173.962.7000111.5M14 M17 L32 L33 Y44 V45 G46 F51 F52 L80M14-L48 HydrophobicContact CE-CD1 4.47Å; M14-L48 HydrophobicContact SD-CD1 4.17Å; M17-L48 HydrophobicContact CE-CD1 3.86Å; L32-L48 HydrophobicContact CD2-CD1 3.86Å; L33-L48 HydrophobicContact CD2-CD2 3.79Å; L33-L48 HydrophobicContact CG-CD2 4.4Å; Y44-L48 VanDerWaalsContact O-CB 3.28Å; Y44-L48 WeakPolarHBondContact O-CB 3.38Å; Y44-L48 PolarHBondContact O-N 2.94Å; V45-L48 PolarHBondContact O-N 3.43Å; G46-L48 VanDerWaalsContact C-N 3.34Å; G46-L48 PolarHBondContact O-N 3.24Å; L48-F51 WeakPolarHBondContact O-CB 3.41Å; L48-F51 PolarHBondContact O-N 2.99Å; L48-F52 HydrophobicContact CD1-CE1 3.68Å; L48-F52 HydrophobicContact CD1-CE2 3.76Å; L48-F52 HydrophobicContact CD1-CZ 3.17Å; L48-F52 HydrophobicContact CD2-CE2 3.86Å; L48-F52 HydrophobicContact CD2-CZ 3.94Å; L48-F52 HydrophobicContact CG-CD2 4.21Å; L48-F52 HydrophobicContact CG-CE1 4.23Å; L48-F52 HydrophobicContact CG-CE2 3.37Å; L48-F52 HydrophobicContact CG-CZ 3.37Å; L48-F52 WeakPolarHBondContact O-CD2 3.46Å; L48-F52 VanDerWaalsContact O-CG 3.27Å; L48-F52 WeakPolarHBondContact O-CG 3.34Å; L48-F52 PolarHBondContact O-N 3.48Å; L48-F52 VanDerWaalsContact O-N 3.08Å; L48-L80 HydrophobicContact CD2-CD2 4.01Å
49L86.1Confident83.7Confident27 Ų2746.9 Ų46.914%0.14126%0.26CS..Hα-helixtrans-64.6-40.6176.4-69.1175.4000112.6V45 G46 F51 F52 C53 L80 L94 A97 F98V45-L49 HydrophobicContact CG1-CD1 3.98Å; V45-L49 HydrophobicContact CG1-CG 4.38Å; V45-L49 VanDerWaalsContact O-CG 3.32Å; V45-L49 WeakPolarHBondContact O-CG 3.41Å; V45-L49 PolarHBondContact O-N 3.31Å; G46-L49 PolarHBondContact O-N 3.46Å; L49-F51 VanDerWaalsContact C-N 3.32Å; L49-F51 PolarHBondContact O-N 3.31Å; L49-F52 PolarHBondContact O-N 3.48Å; L49-C53 PolarHBondContact O-N 3.09Å; L49-C53 PolarHBondContact O-SG 3.21Å; L49-C53 VanDerWaalsContact O-SG 3.4Å; L49-L80 HydrophobicContact CD2-CD1 4.36Å; L49-L94 HydrophobicContact CD1-CD1 4.27Å; L49-L94 HydrophobicContact CD2-CD1 4.43Å; L49-A97 HydrophobicContact CD1-CB 4.38Å; L49-F98 HydrophobicContact CD1-CD1 4.49Å; L49-F98 HydrophobicContact CD1-CD2 4.31Å; L49-F98 HydrophobicContact CD1-CE1 3.97Å; L49-F98 HydrophobicContact CD1-CE2 3.76Å; L49-F98 HydrophobicContact CD1-CZ 3.57Å; L49-F98 HydrophobicContact CD2-CE1 4.45Å; L49-F98 HydrophobicContact CD2-CE2 4.04Å; L49-F98 HydrophobicContact CD2-CZ 3.56Å; L49-F98 HydrophobicContact CG-CZ 4.21Å
50E84.7Confident82.9Confident115 Ų11552.8 Ų52.854%0.53728%0.28SS..Hα-helixtrans-56.9-46.4173.5-78.5176.5-176.800111.6G46 R47 F52 C53 S54G46-E50 WeakPolarHBondContact O-CG 3.49Å; G46-E50 PolarHBondContact O-N 2.96Å; R47-E50 IonicContact NH1-OE2 3.21Å; R47-E50 PolarHBondContact NH1-OE2 3.21Å; R47-E50 PolarHBondContact O-N 2.93Å; E50-F52 PolarHBondContact O-N 2.96Å; E50-C53 PolarHBondContact O-N 3.37Å; E50-S54 WeakPolarHBondContact O-CB 3.29Å; E50-S54 PolarHBondContact O-N 3.5Å
51F88.3Confident82.3Confident11 Ų1160.8 Ų60.85%0.04831%0.307CS..Hα-helixtrans-59.7-46.9177174.5-102.5000111.4M14 M17 V18 I25 R47 L48 L49 C53 S54 L55M14-F51 HydrophobicContact CE-CB 3.56Å; M14-F51 HydrophobicContact CE-CG 3.99Å; M17-F51 HydrophobicContact CB-CZ 4.47Å; M17-F51 HydrophobicContact CE-CB 4.45Å; M17-F51 HydrophobicContact CE-CD1 3.34Å; M17-F51 HydrophobicContact CE-CD2 4.5Å; M17-F51 HydrophobicContact CE-CE1 3.58Å; M17-F51 HydrophobicContact CE-CG 3.84Å; M17-F51 HydrophobicContact CE-CZ 4.25Å; M17-F51 HydrophobicContact CG-CD1 4.45Å; M17-F51 HydrophobicContact CG-CE1 3.7Å; M17-F51 HydrophobicContact CG-CZ 3.81Å; M17-F51 HydrophobicContact SD-CD1 4.04Å; M17-F51 HydrophobicContact SD-CE1 3.72Å; M17-F51 HydrophobicContact SD-CZ 4.43Å; V18-F51 HydrophobicContact CB-CE2 4.31Å; V18-F51 HydrophobicContact CG2-CD2 3.91Å; V18-F51 HydrophobicContact CG2-CE2 3.7Å; I25-F51 HydrophobicContact CD1-CE1 4.44Å; I25-F51 HydrophobicContact CD1-CZ 4.06Å; I25-F51 HydrophobicContact CG2-CE1 3.88Å; I25-F51 HydrophobicContact CG2-CZ 4.45Å; R47-F51 PolarHBondContact O-N 2.84Å; R47-F51 VanDerWaalsContact O-N 3.12Å; L48-F51 WeakPolarHBondContact O-CB 3.41Å; L48-F51 PolarHBondContact O-N 2.99Å; L49-F51 VanDerWaalsContact C-N 3.32Å; L49-F51 PolarHBondContact O-N 3.31Å; F51-C53 PolarHBondContact O-N 2.88Å; F51-S54 WeakPolarHBondContact O-CA 3.44Å; F51-S54 WeakPolarHBondContact O-CB 3.38Å; F51-S54 PolarHBondContact O-N 3.4Å; F51-S54 PolarHBondContact O-OG 3.22Å; F51-L55 HydrophobicContact CE1-CD1 4.47Å; F51-L55 HydrophobicContact CE1-CD2 4.04Å; F51-L55 HydrophobicContact CE1-CG 4.39Å; F51-L55 HydrophobicContact CE2-CD2 4.34Å; F51-L55 HydrophobicContact CZ-CD2 3.81Å; F51-L55 PolarHBondContact O-N 2.67Å; F51-L55 VanDerWaalsContact O-N 3.15Å
52F84.8Confident81.6Confident17 Ų1761 Ų618%0.07531%0.307CS..Hα-helixtrans-63.3-39.7179.5-60.1-26.2000113.4A29 L48 L49 E50 S54 L55 Q73 I76 L80A29-F52 HydrophobicContact CB-CE1 4.43Å; A29-F52 HydrophobicContact CB-CZ 4.17Å; L48-F52 HydrophobicContact CD1-CE1 3.68Å; L48-F52 HydrophobicContact CD1-CE2 3.76Å; L48-F52 HydrophobicContact CD1-CZ 3.17Å; L48-F52 HydrophobicContact CD2-CE2 3.86Å; L48-F52 HydrophobicContact CD2-CZ 3.94Å; L48-F52 HydrophobicContact CG-CD2 4.21Å; L48-F52 HydrophobicContact CG-CE1 4.23Å; L48-F52 HydrophobicContact CG-CE2 3.37Å; L48-F52 HydrophobicContact CG-CZ 3.37Å; L48-F52 WeakPolarHBondContact O-CD2 3.46Å; L48-F52 VanDerWaalsContact O-CG 3.27Å; L48-F52 WeakPolarHBondContact O-CG 3.34Å; L48-F52 PolarHBondContact O-N 3.48Å; L48-F52 VanDerWaalsContact O-N 3.08Å; L49-F52 PolarHBondContact O-N 3.48Å; E50-F52 PolarHBondContact O-N 2.96Å; F52-S54 VanDerWaalsContact C-N 3.28Å; F52-S54 PolarHBondContact O-N 3.2Å; F52-L55 HydrophobicContact CD1-CD1 4.38Å; F52-L55 WeakPolarHBondContact O-CB 3.35Å; F52-L55 PolarHBondContact O-N 3.38Å; F52-Q73 PolarHBondContact O-NE2 3.32Å; F52-I76 HydrophobicContact CD1-CD1 3.92Å; F52-I76 HydrophobicContact CD1-CG2 3.91Å; F52-I76 HydrophobicContact CD2-CG2 3.54Å; F52-I76 HydrophobicContact CE1-CD1 3.77Å; F52-I76 HydrophobicContact CE1-CG1 4.28Å; F52-I76 HydrophobicContact CE1-CG2 3.53Å; F52-I76 HydrophobicContact CE2-CG2 3.08Å; F52-I76 HydrophobicContact CG-CG2 3.94Å; F52-I76 HydrophobicContact CZ-CB 4.37Å; F52-I76 HydrophobicContact CZ-CD1 4.4Å; F52-I76 HydrophobicContact CZ-CG1 4.46Å; F52-I76 HydrophobicContact CZ-CG2 3.08Å; F52-L80 HydrophobicContact CD2-CD1 4.22Å; F52-L80 HydrophobicContact CE2-CD1 3.89Å; F52-L80 HydrophobicContact CE2-CG 4.38Å
53C79.9Confident80.6Confident96 Ų9665.4 Ų65.465%0.64933%0.328SS*.Hα-helixtrans-63.1-36172.3-73.30000111.8L49 E50 F51 L55 T56L49-C53 PolarHBondContact O-N 3.09Å; L49-C53 PolarHBondContact O-SG 3.21Å; L49-C53 VanDerWaalsContact O-SG 3.4Å; E50-C53 PolarHBondContact O-N 3.37Å; F51-C53 PolarHBondContact O-N 2.88Å; C53-L55 VanDerWaalsContact C-N 3.3Å; C53-L55 PolarHBondContact O-N 3.49Å; C53-T56 PolarHBondContact O-OG1 2.84Å
54S84.2Confident79.7Confident48 Ų4866 Ų6634%0.33634%0.337SS..Hα-helixtrans-69.5-24.1178.883.70000113.4E50 F51 F52 T56 T57E50-S54 WeakPolarHBondContact O-CB 3.29Å; E50-S54 PolarHBondContact O-N 3.5Å; F51-S54 WeakPolarHBondContact O-CA 3.44Å; F51-S54 WeakPolarHBondContact O-CB 3.38Å; F51-S54 PolarHBondContact O-N 3.4Å; F51-S54 PolarHBondContact O-OG 3.22Å; F52-S54 VanDerWaalsContact C-N 3.28Å; F52-S54 PolarHBondContact O-N 3.2Å; S54-T56 PolarHBondContact O-N 3.45Å; S54-T56 VanDerWaalsContact O-N 3.14Å; S54-T57 WeakPolarHBondContact O-CB 3.47Å; S54-T57 PolarHBondContact O-N 3.48Å; S54-T57 PolarHBondContact O-OG1 2.84Å
55L84.9Confident79.1Confident0 Ų066.4 Ų66.40%034%0.343CS..Hα-helixtrans-55.5-35.4179.4-69177.8000112.3I25 F51 F52 C53 T57 R58 I69 Q73 I76I25-L55 HydrophobicContact CD1-CD2 3.92Å; F51-L55 HydrophobicContact CE1-CD1 4.47Å; F51-L55 HydrophobicContact CE1-CD2 4.04Å; F51-L55 HydrophobicContact CE1-CG 4.39Å; F51-L55 HydrophobicContact CE2-CD2 4.34Å; F51-L55 HydrophobicContact CZ-CD2 3.81Å; F51-L55 PolarHBondContact O-N 2.67Å; F51-L55 VanDerWaalsContact O-N 3.15Å; F52-L55 HydrophobicContact CD1-CD1 4.38Å; F52-L55 WeakPolarHBondContact O-CB 3.35Å; F52-L55 PolarHBondContact O-N 3.38Å; C53-L55 VanDerWaalsContact C-N 3.3Å; C53-L55 PolarHBondContact O-N 3.49Å; L55-T57 PolarHBondContact O-N 3.49Å; L55-T57 VanDerWaalsContact O-N 3.1Å; L55-R58 WeakPolarHBondContact O-CA 3.42Å; L55-R58 VanDerWaalsContact O-CB 3.29Å; L55-R58 WeakPolarHBondContact O-CB 3.5Å; L55-R58 PolarHBondContact O-N 3.21Å; L55-I69 HydrophobicContact CB-CG2 4.13Å; L55-I69 WeakPolarHBondContact O-CD1 3.32Å; L55-Q73 HydrophobicContact CD1-CG 4.27Å; L55-I76 HydrophobicContact CD1-CD1 4.21Å
56T78.6Confident78.6Confident64 Ų6469.3 Ų69.339%0.39336%0.357SS..G310 helixtrans-56.5-28.9176.6-48.50000112.4C53 S54 R58 A59 M66 Q73C53-T56 PolarHBondContact O-OG1 2.84Å; S54-T56 PolarHBondContact O-N 3.45Å; S54-T56 VanDerWaalsContact O-N 3.14Å; T56-R58 VanDerWaalsContact C-N 3.3Å; T56-R58 PolarHBondContact O-N 3.2Å; T56-A59 WeakPolarHBondContact O-CB 3.49Å; T56-A59 PolarHBondContact O-N 3Å; T56-M66 HydrophobicContact CG2-CE 4.16Å; T56-M66 HydrophobicContact CG2-SD 4.11Å; T56-Q73 PolarHBondContact OG1-NE2 2.94Å
57T76.5Confident78.2Confident80 Ų8072.6 Ų72.649%0.49137%0.374SS..G310 helixtrans-71.6-24176.770.30000113.1S54 L55 A59S54-T57 WeakPolarHBondContact O-CB 3.47Å; S54-T57 PolarHBondContact O-N 3.48Å; S54-T57 PolarHBondContact O-OG1 2.84Å; L55-T57 PolarHBondContact O-N 3.49Å; L55-T57 VanDerWaalsContact O-N 3.1Å; T57-A59 VanDerWaalsContact C-N 3.26Å; T57-A59 PolarHBondContact O-N 3.31Å
58R75.9Confident77.8Confident64 Ų6469.8 Ų69.824%0.24237%0.37CS..G310 helixtrans-73.6-15.1176.9-62.2176.369168.4-0.9112.8V18 L20 L55 T56 R60 Y61 I69V18-R58 PolarHBondContact O-NH1 3.42Å; L20-R58 PolarHBondContact O-NH2 3.15Å; L55-R58 WeakPolarHBondContact O-CA 3.42Å; L55-R58 VanDerWaalsContact O-CB 3.29Å; L55-R58 WeakPolarHBondContact O-CB 3.5Å; L55-R58 PolarHBondContact O-N 3.21Å; T56-R58 VanDerWaalsContact C-N 3.3Å; T56-R58 PolarHBondContact O-N 3.2Å; R58-R60 PolarHBondContact O-N 3.43Å; R58-R60 VanDerWaalsContact O-N 3.07Å; R58-Y61 PolarHBondContact O-N 3.24Å; R58-I69 HydrophobicContact CB-CD1 4.4Å
59A69Low77.6Confident15 Ų1569.4 Ų69.412%0.12437%0.368CS..G310 helixtrans-55.5-33-175.700000113.3T56 T57 Y61 L62 M66 I69T56-A59 WeakPolarHBondContact O-CB 3.49Å; T56-A59 PolarHBondContact O-N 3Å; T57-A59 VanDerWaalsContact C-N 3.26Å; T57-A59 PolarHBondContact O-N 3.31Å; A59-Y61 PolarHBondContact O-N 3.16Å; A59-L62 PolarHBondContact O-N 2.91Å; A59-M66 HydrophobicContact CB-CG 3.94Å; A59-M66 HydrophobicContact CB-SD 3.4Å; A59-M66 WeakPolarHBondContact CB-SD 3.48Å; A59-I69 HydrophobicContact CB-CD1 3.39Å
60R69.2Low77.3Confident199 Ų19970.4 Ų70.475%0.75137%0.37SS*.G310 helixtrans-65.8-15.2-179.4-68.3-174.7-83.5176.6-7.3114R58R58-R60 PolarHBondContact O-N 3.43Å; R58-R60 VanDerWaalsContact O-N 3.07Å
61Y72.5Confident77.1Confident189 Ų18968.3 Ų68.374%0.74137%0.368SS*.G310 helixtrans-113.31.2-174-53.1-71.1000113.6R58 A59R58-Y61 PolarHBondContact O-N 3.24Å; A59-Y61 PolarHBondContact O-N 3.16Å
62L70.7Confident77Confident58 Ų5868 Ų6830%0.30437%0.368SS..  trans-104.8137.1-177.6-63.9172.6000110.6L22 A59 N64 G65 I69L22-L62 HydrophobicContact CD2-CD1 3.58Å; A59-L62 PolarHBondContact O-N 2.91Å; L62-N64 PolarHBondContact O-N 3.48Å; L62-G65 WeakPolarHBondContact O-CA 3.28Å; L62-G65 PolarHBondContact O-N 2.88Å; L62-I69 HydrophobicContact CD1-CD1 3.81Å; L62-I69 HydrophobicContact CD1-CG1 3.75Å
63V64.3Low77Confident152 Ų15268.6 Ų68.692%0.92137%0.371SS*.THydrogen-bonded Turntrans-58.4-40.6175178.60000110.9G65V63-G65 VanDerWaalsContact C-N 3.27Å; V63-G65 PolarHBondContact O-N 2.99Å
64N67.1Low77.1Confident117 Ų11764.5 Ų64.563%0.62634%0.343SS*.THydrogen-bonded Turntrans-9012.3176.6-63.9-20.1000113.1L62 M66 P67 A68L62-N64 PolarHBondContact O-N 3.48Å; N64-M66 PolarHBondContact O-N 3.37Å; N64-P67 WeakPolarHBondContact O-CD 3.34Å; N64-A68 HydrophobicContact CB-CB 3.83Å; N64-A68 PolarHBondContact O-N 2.98Å
65G76.2Confident77.2Confident17 Ų1764 Ų6418%0.17534%0.339CS..Hα-helixtrans43.9-127.7170.200000115.7L62 V63L62-G65 WeakPolarHBondContact O-CA 3.28Å; L62-G65 PolarHBondContact O-N 2.88Å; V63-G65 VanDerWaalsContact C-N 3.27Å; V63-G65 PolarHBondContact O-N 2.99Å
66M76.8Confident77.4Confident65 Ų6564 Ų6432%0.3234%0.34SS..Hα-helixtrans-67.7-43.9178.9-78.3-62.9-59.800114.2T56 A59 N64 A68 I69 R70T56-M66 HydrophobicContact CG2-CE 4.16Å; T56-M66 HydrophobicContact CG2-SD 4.11Å; A59-M66 HydrophobicContact CB-CG 3.94Å; A59-M66 HydrophobicContact CB-SD 3.4Å; A59-M66 WeakPolarHBondContact CB-SD 3.48Å; N64-M66 PolarHBondContact O-N 3.37Å; M66-A68 VanDerWaalsContact C-N 3.32Å; M66-A68 PolarHBondContact O-N 3.2Å; M66-I69 WeakPolarHBondContact O-CB 3.41Å; M66-I69 PolarHBondContact O-N 2.98Å; M66-R70 HydrophobicContact CE-CG 4.29Å; M66-R70 WeakPolarHBondContact O-CG 3.29Å; M66-R70 PolarHBondContact O-N 3.43Å
67P76.6Confident77.7Confident94 Ų9465.4 Ų65.461%0.6134%0.344SS*.Hα-helixtrans-49.5-46.7179.7-3233.6000114.8N64 I69 R70 S71N64-P67 WeakPolarHBondContact O-CD 3.34Å; P67-I69 VanDerWaalsContact C-N 3.33Å; P67-I69 PolarHBondContact O-N 2.89Å; P67-R70 PolarHBondContact O-N 3.17Å; P67-S71 PolarHBondContact O-N 2.96Å
68A79.6Confident78.1Confident30 Ų3065.1 Ų65.125%0.24834%0.339CS..Hα-helixtrans-63.5-39.317900000112.2L22 N64 M66 R70 S71 A72L22-A68 VanDerWaalsContact CD2-C 3.47Å; L22-A68 HydrophobicContact CD2-CB 3.69Å; L22-A68 WeakPolarHBondContact CD2-O 3.2Å; N64-A68 HydrophobicContact CB-CB 3.83Å; N64-A68 PolarHBondContact O-N 2.98Å; M66-A68 VanDerWaalsContact C-N 3.32Å; M66-A68 PolarHBondContact O-N 3.2Å; A68-R70 VanDerWaalsContact C-N 3.34Å; A68-S71 PolarHBondContact O-N 3.35Å; A68-A72 PolarHBondContact O-N 2.84Å; A68-A72 VanDerWaalsContact O-N 3.09Å
69I84.4Confident78.8Confident0 Ų063.7 Ų63.70%034%0.335CS..Hα-helixtrans-65.8-40.4177-73162.5000110.9L22 L55 R58 A59 L62 M66 P67 A72 Q73L22-I69 HydrophobicContact CD1-CG1 4.36Å; L22-I69 HydrophobicContact CD2-CG1 3.8Å; L55-I69 HydrophobicContact CB-CG2 4.13Å; L55-I69 WeakPolarHBondContact O-CD1 3.32Å; R58-I69 HydrophobicContact CB-CD1 4.4Å; A59-I69 HydrophobicContact CB-CD1 3.39Å; L62-I69 HydrophobicContact CD1-CD1 3.81Å; L62-I69 HydrophobicContact CD1-CG1 3.75Å; M66-I69 WeakPolarHBondContact O-CB 3.41Å; M66-I69 PolarHBondContact O-N 2.98Å; P67-I69 VanDerWaalsContact C-N 3.33Å; P67-I69 PolarHBondContact O-N 2.89Å; I69-A72 PolarHBondContact O-N 3.49Å; I69-Q73 HydrophobicContact CG2-CG 4.21Å; I69-Q73 WeakPolarHBondContact O-CB 3.25Å; I69-Q73 WeakPolarHBondContact O-CG 3.45Å; I69-Q73 PolarHBondContact O-N 3.12Å
70R78.6Confident79.7Confident47 Ų4763.6 Ų63.618%0.17733%0.332CS..Hα-helixtrans-63.3-44.3177.7-65.3-173.1173.3177.5-11.3111.2M66 P67 A68 A72 Q73 S74 S142 Y143M66-R70 HydrophobicContact CE-CG 4.29Å; M66-R70 WeakPolarHBondContact O-CG 3.29Å; M66-R70 PolarHBondContact O-N 3.43Å; P67-R70 PolarHBondContact O-N 3.17Å; A68-R70 VanDerWaalsContact C-N 3.34Å; R70-A72 PolarHBondContact O-N 2.9Å; R70-Q73 PolarHBondContact O-N 3.24Å; R70-S74 WeakPolarHBondContact O-CB 3.26Å; R70-S74 PolarHBondContact O-N 3.47Å; R70-S74 PolarHBondContact O-OG 2.83Å; R70-S142 PolarHBondContact NH1-O 2.75Å; R70-Y143 VanDerWaalsContact CA-OH 3.28Å; R70-Y143 WeakPolarHBondContact CA-OH 3.29Å; R70-Y143 HydrophobicContact CB-CD2 4.3Å; R70-Y143 HydrophobicContact CB-CE1 4.19Å; R70-Y143 HydrophobicContact CB-CE2 3.64Å; R70-Y143 HydrophobicContact CG-CD2 3.75Å; R70-Y143 HydrophobicContact CG-CE2 3.31Å; R70-Y143 PolarHBondContact O-OH 2.95Å
71S80.8Confident80.4Confident72 Ų7257.2 Ų57.250%0.50332%0.315SS..Hα-helixtrans-57.5-48.7174.7178.90000111.9P67 A68 Q73 S74 S75P67-S71 PolarHBondContact O-N 2.96Å; A68-S71 PolarHBondContact O-N 3.35Å; S71-Q73 PolarHBondContact O-N 3.31Å; S71-S74 WeakPolarHBondContact O-CB 3.39Å; S71-S74 PolarHBondContact O-N 3.38Å; S71-S75 PolarHBondContact O-N 3.26Å; S71-S75 VanDerWaalsContact O-N 3.09Å
72A85.9Confident81.2Confident5 Ų553.3 Ų53.34%0.04130%0.303CS..Hα-helixtrans-62.3-45.4177.500000112.7L22 P26 A68 I69 R70 S74 S75 I76L22-A72 HydrophobicContact CD1-CB 3.56Å; L22-A72 HydrophobicContact CG-CB 3.8Å; P26-A72 HydrophobicContact CG-CB 4.18Å; A68-A72 PolarHBondContact O-N 2.84Å; A68-A72 VanDerWaalsContact O-N 3.09Å; I69-A72 PolarHBondContact O-N 3.49Å; R70-A72 PolarHBondContact O-N 2.9Å; A72-S74 VanDerWaalsContact C-N 3.31Å; A72-S74 PolarHBondContact O-N 3.24Å; A72-S75 PolarHBondContact O-N 3.44Å; A72-I76 WeakPolarHBondContact O-CB 3.47Å; A72-I76 VanDerWaalsContact O-CD1 3.3Å; A72-I76 WeakPolarHBondContact O-CD1 3.4Å; A72-I76 WeakPolarHBondContact O-CG1 3.35Å; A72-I76 PolarHBondContact O-N 3.29Å
73Q85.7Confident82.1Confident28 Ų2851.2 Ų51.213%0.13129%0.293CS..Hα-helixtrans-60.1-40.4176-79.8176-2400112F52 L55 T56 I69 R70 S71 I76 I77 Y143F52-Q73 PolarHBondContact O-NE2 3.32Å; L55-Q73 HydrophobicContact CD1-CG 4.27Å; T56-Q73 PolarHBondContact OG1-NE2 2.94Å; I69-Q73 HydrophobicContact CG2-CG 4.21Å; I69-Q73 WeakPolarHBondContact O-CB 3.25Å; I69-Q73 WeakPolarHBondContact O-CG 3.45Å; I69-Q73 PolarHBondContact O-N 3.12Å; R70-Q73 PolarHBondContact O-N 3.24Å; S71-Q73 PolarHBondContact O-N 3.31Å; Q73-I76 PolarHBondContact O-N 3.37Å; Q73-I77 WeakPolarHBondContact O-CB 3.38Å; Q73-I77 WeakPolarHBondContact O-CD1 3.31Å; Q73-I77 VanDerWaalsContact O-CG1 3.22Å; Q73-I77 WeakPolarHBondContact O-CG1 3.23Å; Q73-I77 PolarHBondContact O-N 2.83Å; Q73-Y143 VanDerWaalsContact CB-OH 3.24Å; Q73-Y143 WeakPolarHBondContact CB-OH 3.48Å; Q73-Y143 PolarHBondContact OE1-OH 2.74Å
74S81.6Confident83.3Confident10 Ų1045.2 Ų45.27%0.0726%0.259CS..Hα-helixtrans-62.6-48.5178.8-55.70000111.4R70 S71 A72 I76 I77 L78 Y143 S145R70-S74 WeakPolarHBondContact O-CB 3.26Å; R70-S74 PolarHBondContact O-N 3.47Å; R70-S74 PolarHBondContact O-OG 2.83Å; S71-S74 WeakPolarHBondContact O-CB 3.39Å; S71-S74 PolarHBondContact O-N 3.38Å; A72-S74 VanDerWaalsContact C-N 3.31Å; A72-S74 PolarHBondContact O-N 3.24Å; S74-I76 VanDerWaalsContact C-N 3.3Å; S74-I76 PolarHBondContact O-N 2.99Å; S74-I77 PolarHBondContact O-N 2.88Å; S74-L78 WeakPolarHBondContact O-CG 3.43Å; S74-L78 PolarHBondContact O-N 2.92Å; S74-Y143 VanDerWaalsContact OG-CE1 3.28Å; S74-Y143 WeakPolarHBondContact OG-CE1 3.3Å; S74-Y143 PolarHBondContact OG-OH 3.18Å; S74-S145 WeakPolarHBondContact OG-CB 3.34Å; S74-S145 PolarHBondContact OG-OG 2.98Å
75S87Confident84.2Confident37 Ų3748.1 Ų48.126%0.25926%0.261SS..Hα-helixtrans-59.8-41.8176.5-178.50000111.9P26 S71 A72 L78 H79P26-S75 VanDerWaalsContact CB-OG 3.32Å; P26-S75 WeakPolarHBondContact CB-OG 3.47Å; S71-S75 PolarHBondContact O-N 3.26Å; S71-S75 VanDerWaalsContact O-N 3.09Å; A72-S75 PolarHBondContact O-N 3.44Å; S75-L78 WeakPolarHBondContact O-CB 3.42Å; S75-L78 PolarHBondContact O-N 3.46Å; S75-H79 VanDerWaalsContact O-CG 3.26Å; S75-H79 PolarHBondContact O-N 3.32Å; S75-H79 PolarHBondContact O-ND1 3.35Å; S75-H79 PolarHBondContact OG-CE1 2.87Å
76I88.8Confident84.9Confident2 Ų253 Ų531%0.0128%0.281CS..Hα-helixtrans-63.8-43.4175.8-70.4163.8000112.1I25 P26 A29 F52 L55 A72 Q73 S74 L78 H79 L80I25-I76 HydrophobicContact CG2-CD1 3.72Å; P26-I76 HydrophobicContact CB-CG1 4.29Å; P26-I76 HydrophobicContact CG-CG1 4.43Å; A29-I76 HydrophobicContact CB-CG1 4.2Å; F52-I76 HydrophobicContact CD1-CD1 3.92Å; F52-I76 HydrophobicContact CD1-CG2 3.91Å; F52-I76 HydrophobicContact CD2-CG2 3.54Å; F52-I76 HydrophobicContact CE1-CD1 3.77Å; F52-I76 HydrophobicContact CE1-CG1 4.28Å; F52-I76 HydrophobicContact CE1-CG2 3.53Å; F52-I76 HydrophobicContact CE2-CG2 3.08Å; F52-I76 HydrophobicContact CG-CG2 3.94Å; F52-I76 HydrophobicContact CZ-CB 4.37Å; F52-I76 HydrophobicContact CZ-CD1 4.4Å; F52-I76 HydrophobicContact CZ-CG1 4.46Å; F52-I76 HydrophobicContact CZ-CG2 3.08Å; L55-I76 HydrophobicContact CD1-CD1 4.21Å; A72-I76 WeakPolarHBondContact O-CB 3.47Å; A72-I76 VanDerWaalsContact O-CD1 3.3Å; A72-I76 WeakPolarHBondContact O-CD1 3.4Å; A72-I76 WeakPolarHBondContact O-CG1 3.35Å; A72-I76 PolarHBondContact O-N 3.29Å; Q73-I76 PolarHBondContact O-N 3.37Å; S74-I76 VanDerWaalsContact C-N 3.3Å; S74-I76 PolarHBondContact O-N 2.99Å; I76-L78 VanDerWaalsContact C-N 3.32Å; I76-L78 PolarHBondContact O-N 3.1Å; I76-H79 PolarHBondContact O-N 2.87Å; I76-L80 HydrophobicContact CG2-CD1 4.41Å; I76-L80 WeakPolarHBondContact O-CG 3.4Å; I76-L80 PolarHBondContact O-N 2.93Å
77I84.7Confident85.5Confident92 Ų9253.3 Ų53.347%0.47228%0.282SS..Hα-helixtrans-60.5-44.3176.9-72.2163.3000109.9Q73 S74 H79 L80 V81Q73-I77 WeakPolarHBondContact O-CB 3.38Å; Q73-I77 WeakPolarHBondContact O-CD1 3.31Å; Q73-I77 VanDerWaalsContact O-CG1 3.22Å; Q73-I77 WeakPolarHBondContact O-CG1 3.23Å; Q73-I77 PolarHBondContact O-N 2.83Å; S74-I77 PolarHBondContact O-N 2.88Å; I77-H79 VanDerWaalsContact C-N 3.33Å; I77-H79 PolarHBondContact O-N 3.47Å; I77-L80 WeakPolarHBondContact O-CB 3.26Å; I77-L80 PolarHBondContact O-N 3.37Å; I77-V81 HydrophobicContact CG2-CG2 4.3Å; I77-V81 VanDerWaalsContact O-CG2 3.31Å; I77-V81 WeakPolarHBondContact O-CG2 3.31Å; I77-V81 PolarHBondContact O-N 2.75Å
78L84.6Confident86.1Confident75 Ų7555.7 Ų55.739%0.39329%0.285SS..Hα-helixtrans-58.4-44.2174.5-72175.8000111.9S74 S75 I76 L80 V81 H82 S147S74-L78 WeakPolarHBondContact O-CG 3.43Å; S74-L78 PolarHBondContact O-N 2.92Å; S75-L78 WeakPolarHBondContact O-CB 3.42Å; S75-L78 PolarHBondContact O-N 3.46Å; I76-L78 VanDerWaalsContact C-N 3.32Å; I76-L78 PolarHBondContact O-N 3.1Å; L78-L80 PolarHBondContact O-N 2.96Å; L78-V81 PolarHBondContact O-N 3.43Å; L78-H82 VanDerWaalsContact O-CB 3.29Å; L78-H82 WeakPolarHBondContact O-CB 3.41Å; L78-H82 PolarHBondContact O-N 3.48Å; L78-S147 WeakPolarHBondContact CD1-OG 3.28Å
79H90.2Very high86.6Confident34 Ų3459 Ų5916%0.15730%0.299CS..Hα-helixtrans-62.4-41.5176.1-63.2156.3000112.3P26 L30 L33 S75 I76 I77 T83P26-H79 PolarHBondContact O-CE1 2.83Å; P26-H79 PolarHBondContact O-ND1 2.84Å; L30-H79 HydrophobicContact CD1-CB 4.15Å; L33-H79 HydrophobicContact CD1-CB 3.93Å; S75-H79 VanDerWaalsContact O-CG 3.26Å; S75-H79 PolarHBondContact O-N 3.32Å; S75-H79 PolarHBondContact O-ND1 3.35Å; S75-H79 PolarHBondContact OG-CE1 2.87Å; I76-H79 PolarHBondContact O-N 2.87Å; I77-H79 VanDerWaalsContact C-N 3.33Å; I77-H79 PolarHBondContact O-N 3.47Å; H79-T83 VanDerWaalsContact O-CB 3.26Å; H79-T83 WeakPolarHBondContact O-CB 3.48Å; H79-T83 PolarHBondContact O-N 3.46Å; H79-T83 PolarHBondContact O-OG1 3.3Å
80L88.4Confident87Confident13 Ų1359.3 Ų59.37%0.06830%0.3CS..Hα-helixtrans-62.1-46.6174.9-73.9172.6000111.9L33 L48 L49 F52 I76 I77 L78 T83 A84 F90 L94L33-L80 HydrophobicContact CD1-CD2 3.96Å; L33-L80 HydrophobicContact CD1-CG 4.35Å; L33-L80 HydrophobicContact CD2-CD2 3.78Å; L33-L80 HydrophobicContact CG-CD2 4.5Å; L48-L80 HydrophobicContact CD2-CD2 4.01Å; L49-L80 HydrophobicContact CD2-CD1 4.36Å; F52-L80 HydrophobicContact CD2-CD1 4.22Å; F52-L80 HydrophobicContact CE2-CD1 3.89Å; F52-L80 HydrophobicContact CE2-CG 4.38Å; I76-L80 HydrophobicContact CG2-CD1 4.41Å; I76-L80 WeakPolarHBondContact O-CG 3.4Å; I76-L80 PolarHBondContact O-N 2.93Å; I77-L80 WeakPolarHBondContact O-CB 3.26Å; I77-L80 PolarHBondContact O-N 3.37Å; L78-L80 PolarHBondContact O-N 2.96Å; L80-T83 PolarHBondContact O-N 2.88Å; L80-A84 WeakPolarHBondContact O-CB 3.39Å; L80-A84 PolarHBondContact O-N 2.98Å; L80-F90 HydrophobicContact CD2-CE1 4.25Å; L80-F90 HydrophobicContact CD2-CZ 3.8Å; L80-L94 HydrophobicContact CB-CD2 4.47Å
81V84.6Confident87.3Confident64 Ų6457.5 Ų57.539%0.38830%0.296SS..Hα-helixtrans-65.1-45-179.9171.60000110.8I77 L78 A84 R85I77-V81 HydrophobicContact CG2-CG2 4.3Å; I77-V81 VanDerWaalsContact O-CG2 3.31Å; I77-V81 WeakPolarHBondContact O-CG2 3.31Å; I77-V81 PolarHBondContact O-N 2.75Å; L78-V81 PolarHBondContact O-N 3.43Å; V81-A84 PolarHBondContact O-N 3.49Å; V81-R85 WeakPolarHBondContact O-CG 3.41Å; V81-R85 PolarHBondContact O-N 3.31Å
82H87.8Confident87.6Confident107 Ų10759.1 Ų59.150%0.49529%0.294SS..Hα-helixtrans-60.2-47.1175.8-178.375.8000111.1L78 A84 R85 M86L78-H82 VanDerWaalsContact O-CB 3.29Å; L78-H82 WeakPolarHBondContact O-CB 3.41Å; L78-H82 PolarHBondContact O-N 3.48Å; H82-A84 VanDerWaalsContact C-N 3.34Å; H82-A84 PolarHBondContact O-N 3.07Å; H82-R85 WeakPolarHBondContact O-CB 3.49Å; H82-R85 PolarHBondContact O-N 3.23Å; H82-R85 VanDerWaalsContact O-N 3.14Å; H82-M86 WeakPolarHBondContact O-CG 2.99Å; H82-M86 PolarHBondContact O-N 3.46Å
83T91.4Very high87.6Confident15 Ų1559.9 Ų59.99%0.09230%0.298CS..Hα-helixtrans-61.2-42.3177.4-56.20000111.5L33 A37 H79 L80 R85 M86 E87 F90L33-T83 HydrophobicContact CB-CG2 4.33Å; A37-T83 HydrophobicContact CB-CG2 3.33Å; H79-T83 VanDerWaalsContact O-CB 3.26Å; H79-T83 WeakPolarHBondContact O-CB 3.48Å; H79-T83 PolarHBondContact O-N 3.46Å; H79-T83 PolarHBondContact O-OG1 3.3Å; L80-T83 PolarHBondContact O-N 2.88Å; T83-R85 VanDerWaalsContact C-N 3.29Å; T83-R85 PolarHBondContact O-N 3.34Å; T83-M86 PolarHBondContact O-N 3.32Å; T83-E87 WeakPolarHBondContact O-CB 3.4Å; T83-E87 PolarHBondContact O-N 3.16Å; T83-F90 HydrophobicContact CG2-CD1 3.69Å; T83-F90 HydrophobicContact CG2-CE1 3.87Å; T83-F90 HydrophobicContact CG2-CG 4.13Å; T83-F90 HydrophobicContact CG2-CZ 4.44Å
84A88.4Confident87.6Confident25 Ų2559.4 Ų59.421%0.20730%0.296CS..Hα-helixtrans-65-30.3176.500000113.5L80 V81 H82 F90 L94L80-A84 WeakPolarHBondContact O-CB 3.39Å; L80-A84 PolarHBondContact O-N 2.98Å; V81-A84 PolarHBondContact O-N 3.49Å; H82-A84 VanDerWaalsContact C-N 3.34Å; H82-A84 PolarHBondContact O-N 3.07Å; A84-F90 HydrophobicContact CB-CD1 4.15Å; A84-F90 HydrophobicContact CB-CE1 4.45Å; A84-L94 HydrophobicContact CB-CD2 4.34Å
85R86.4Confident87.4Confident178 Ų17862.3 Ų62.367%0.67231%0.31SS*.Hα-helixtrans-71.9-38.6173.4-74.8177173.8174.20112.1V81 H82 T83V81-R85 WeakPolarHBondContact O-CG 3.41Å; V81-R85 PolarHBondContact O-N 3.31Å; H82-R85 WeakPolarHBondContact O-CB 3.49Å; H82-R85 PolarHBondContact O-N 3.23Å; H82-R85 VanDerWaalsContact O-N 3.14Å; T83-R85 VanDerWaalsContact C-N 3.29Å; T83-R85 PolarHBondContact O-N 3.34Å
86M90.3Very high86.9Confident119 Ų11965.3 Ų65.359%0.58632%0.324SS*.Hα-helixtrans-76.6-40.2178.8-63-58.9109.100111.9H82 T83H82-M86 WeakPolarHBondContact O-CG 2.99Å; H82-M86 PolarHBondContact O-N 3.46Å; T83-M86 PolarHBondContact O-N 3.32Å
87E90.4Very high86.1Confident72 Ų7267.2 Ų67.234%0.33634%0.339SS..  trans-117.192.9-174.1-66.8-60.3157.600111.3L38 T83 N89 F90 G91L38-E87 VanDerWaalsContact CD2-CD 3.47Å; L38-E87 HydrophobicContact CD2-CG 4.36Å; L38-E87 WeakPolarHBondContact CD2-OE1 3.41Å; L38-E87 WeakPolarHBondContact CD2-OE2 3.29Å; T83-E87 WeakPolarHBondContact O-CB 3.4Å; T83-E87 PolarHBondContact O-N 3.16Å; E87-N89 VanDerWaalsContact C-N 3.25Å; E87-N89 PolarHBondContact O-N 3.03Å; E87-F90 HydrophobicContact CB-CB 3.85Å; E87-F90 WeakPolarHBondContact O-CB 3.33Å; E87-F90 PolarHBondContact O-N 2.83Å; E87-G91 PolarHBondContact O-N 3.37Å
88Q88.8Confident85.3Confident144 Ų14467.7 Ų67.767%0.67334%0.338SS*.Hα-helixtrans-58.8-34.1-174.8-66.2-171.93.700113.7G91 K92Q88-G91 PolarHBondContact O-N 3.43Å; Q88-K92 WeakPolarHBondContact O-CG 3.42Å; Q88-K92 PolarHBondContact O-N 3.47Å
89N90.6Very high84.1Confident101 Ų10172.5 Ų72.554%0.5436%0.356SS..Hα-helixtrans-68.2-41.6177.7-73.2-25000111.2A40 E87 G91 K92 T93A40-N89 HydrophobicContact CB-CB 3.83Å; E87-N89 VanDerWaalsContact C-N 3.25Å; E87-N89 PolarHBondContact O-N 3.03Å; N89-G91 VanDerWaalsContact C-N 3.33Å; N89-K92 PolarHBondContact O-N 3.11Å; N89-T93 PolarHBondContact O-N 2.92Å; N89-T93 PolarHBondContact O-OG1 3.38Å
90F91.6Very high81.7Confident6 Ų673.5 Ų73.53%0.02637%0.37CS..Hα-helixtrans-59.5-46.7170.9177.7-98.6000110.7L33 A37 V45 L80 T83 A84 E87 K92 T93 L94L33-F90 HydrophobicContact CD2-CE1 4.34Å; L33-F90 HydrophobicContact CD2-CE2 3.89Å; L33-F90 HydrophobicContact CD2-CZ 3.52Å; A37-F90 HydrophobicContact CB-CB 4.21Å; A37-F90 HydrophobicContact CB-CD2 3.87Å; A37-F90 HydrophobicContact CB-CE2 4.43Å; A37-F90 HydrophobicContact CB-CG 4.01Å; V45-F90 HydrophobicContact CG2-CD2 4.19Å; V45-F90 HydrophobicContact CG2-CE2 3.69Å; V45-F90 HydrophobicContact CG2-CZ 4.44Å; L80-F90 HydrophobicContact CD2-CE1 4.25Å; L80-F90 HydrophobicContact CD2-CZ 3.8Å; T83-F90 HydrophobicContact CG2-CD1 3.69Å; T83-F90 HydrophobicContact CG2-CE1 3.87Å; T83-F90 HydrophobicContact CG2-CG 4.13Å; T83-F90 HydrophobicContact CG2-CZ 4.44Å; A84-F90 HydrophobicContact CB-CD1 4.15Å; A84-F90 HydrophobicContact CB-CE1 4.45Å; E87-F90 HydrophobicContact CB-CB 3.85Å; E87-F90 WeakPolarHBondContact O-CB 3.33Å; E87-F90 PolarHBondContact O-N 2.83Å; F90-K92 VanDerWaalsContact C-N 3.34Å; F90-K92 PolarHBondContact O-N 2.92Å; F90-T93 CarbonylContact O-C 3.58Å; F90-T93 PolarHBondContact O-N 3.49Å; F90-T93 VanDerWaalsContact O-N 3.14Å; F90-L94 HydrophobicContact CE1-CB 4.48Å; F90-L94 HydrophobicContact CE1-CD2 4.07Å; F90-L94 WeakPolarHBondContact O-CB 3.44Å; F90-L94 PolarHBondContact O-N 3.12Å
91G86.5Confident79.4Confident9 Ų980.5 Ų80.59%0.09340%0.403CS..Hα-helixtrans-56.6-44.5176.300000112.9E87 Q88 N89 L94 L95E87-G91 PolarHBondContact O-N 3.37Å; Q88-G91 PolarHBondContact O-N 3.43Å; N89-G91 VanDerWaalsContact C-N 3.33Å; G91-L94 PolarHBondContact O-N 2.99Å; G91-L95 WeakPolarHBondContact O-CB 3.31Å; G91-L95 VanDerWaalsContact O-CG 3.25Å; G91-L95 WeakPolarHBondContact O-CG 3.45Å; G91-L95 PolarHBondContact O-N 3.16Å
92K85.7Confident77.8Confident105 Ų10580.1 Ų80.146%0.45741%0.406SS..Hα-helixtrans-62.6-44.7173.9-73.7173.6-175.2171.10112.1Q88 N89 F90 L95 N96Q88-K92 WeakPolarHBondContact O-CG 3.42Å; Q88-K92 PolarHBondContact O-N 3.47Å; N89-K92 PolarHBondContact O-N 3.11Å; F90-K92 VanDerWaalsContact C-N 3.34Å; F90-K92 PolarHBondContact O-N 2.92Å; K92-L95 PolarHBondContact O-N 3.26Å; K92-N96 VanDerWaalsContact O-CB 3.3Å; K92-N96 WeakPolarHBondContact O-CB 3.42Å; K92-N96 PolarHBondContact O-N 3.16Å; K92-N96 PolarHBondContact O-ND2 3.33Å
93T86.8Confident76.6Confident21 Ų2176.6 Ų76.613%0.12939%0.391CS..Hα-helixtrans-64.8-40.1177.3-64.80000111.7A40 A42 V45 N89 F90 N96 A97A40-T93 WeakPolarHBondContact O-CB 3.07Å; A40-T93 WeakPolarHBondContact O-CG2 3.13Å; A40-T93 PolarHBondContact O-OG1 3.08Å; A42-T93 HydrophobicContact CB-CG2 4.05Å; V45-T93 HydrophobicContact CB-CG2 4.44Å; V45-T93 HydrophobicContact CG2-CG2 3.92Å; N89-T93 PolarHBondContact O-N 2.92Å; N89-T93 PolarHBondContact O-OG1 3.38Å; F90-T93 CarbonylContact O-C 3.58Å; F90-T93 PolarHBondContact O-N 3.49Å; F90-T93 VanDerWaalsContact O-N 3.14Å; T93-N96 CarbonylContact O-C 3.57Å; T93-N96 PolarHBondContact O-N 3.47Å; T93-A97 WeakPolarHBondContact O-CB 3.13Å; T93-A97 PolarHBondContact O-N 3.2Å
94L84.3Confident75.4Confident19 Ų1979.9 Ų79.910%0.09941%0.411CS..Hα-helixtrans-59.7-50.5174.5-174.864.7000110.8V45 L49 L80 A84 F90 G91 N96 A97 F98V45-L94 HydrophobicContact CG1-CD1 3.56Å; L49-L94 HydrophobicContact CD1-CD1 4.27Å; L49-L94 HydrophobicContact CD2-CD1 4.43Å; L80-L94 HydrophobicContact CB-CD2 4.47Å; A84-L94 HydrophobicContact CB-CD2 4.34Å; F90-L94 HydrophobicContact CE1-CB 4.48Å; F90-L94 HydrophobicContact CE1-CD2 4.07Å; F90-L94 WeakPolarHBondContact O-CB 3.44Å; F90-L94 PolarHBondContact O-N 3.12Å; G91-L94 PolarHBondContact O-N 2.99Å; L94-N96 VanDerWaalsContact C-N 3.29Å; L94-N96 PolarHBondContact O-N 2.94Å; L94-A97 WeakPolarHBondContact O-CB 3.4Å; L94-A97 PolarHBondContact O-N 3.39Å; L94-F98 HydrophobicContact CD1-CD2 4.2Å; L94-F98 HydrophobicContact CD1-CE2 3.75Å; L94-F98 HydrophobicContact CG-CD2 4.23Å; L94-F98 HydrophobicContact CG-CE2 4.09Å; L94-F98 WeakPolarHBondContact O-CD2 3.47Å; L94-F98 PolarHBondContact O-N 3.06Å; L94-F98 VanDerWaalsContact O-N 3.1Å
95L77.3Confident74.5Confident70 Ų7081.8 Ų81.837%0.36642%0.415SS..Hα-helixtrans-61.1-35.7174.1-68.6170.7000112.5G91 K92 F98 K99 A100 Q101 L103G91-L95 WeakPolarHBondContact O-CB 3.31Å; G91-L95 VanDerWaalsContact O-CG 3.25Å; G91-L95 WeakPolarHBondContact O-CG 3.45Å; G91-L95 PolarHBondContact O-N 3.16Å; K92-L95 PolarHBondContact O-N 3.26Å; L95-F98 CarbonylContact O-C 3.56Å; L95-F98 PolarHBondContact O-N 3.48Å; L95-K99 PolarHBondContact O-N 3.02Å; L95-K99 VanDerWaalsContact O-N 3.15Å; L95-A100 PolarHBondContact O-N 3.32Å; L95-Q101 HydrophobicContact CD1-CG 4.21Å; L95-L103 HydrophobicContact CD2-CD1 4.28Å; L95-L103 WeakPolarHBondContact O-CD1 3.43Å
96N77.1Confident73.9Confident101 Ų10176.3 Ų76.354%0.5440%0.403SS..Hα-helixtrans-73.2-34.4177-73.4-20.7000112.8K92 T93 L94 F98 K99K92-N96 VanDerWaalsContact O-CB 3.3Å; K92-N96 WeakPolarHBondContact O-CB 3.42Å; K92-N96 PolarHBondContact O-N 3.16Å; K92-N96 PolarHBondContact O-ND2 3.33Å; T93-N96 CarbonylContact O-C 3.57Å; T93-N96 PolarHBondContact O-N 3.47Å; L94-N96 VanDerWaalsContact C-N 3.29Å; L94-N96 PolarHBondContact O-N 2.94Å; N96-F98 PolarHBondContact O-N 2.9Å; N96-K99 WeakPolarHBondContact O-CA 3.47Å; N96-K99 PolarHBondContact O-N 3.21Å
97A72.7Confident73.1Confident41 Ų4173.2 Ų73.234%0.33939%0.394SS..Hα-helixtrans-63.3-36.1173.600000110.7V45 L49 T93 L94 K99V45-A97 HydrophobicContact CB-CB 4.46Å; V45-A97 HydrophobicContact CG1-CB 3.71Å; L49-A97 HydrophobicContact CD1-CB 4.38Å; T93-A97 WeakPolarHBondContact O-CB 3.13Å; T93-A97 PolarHBondContact O-N 3.2Å; L94-A97 WeakPolarHBondContact O-CB 3.4Å; L94-A97 PolarHBondContact O-N 3.39Å; A97-K99 PolarHBondContact O-N 3.4Å
98F68Low72.4Confident102 Ų10270.4 Ų70.445%0.44738%0.381SS..THydrogen-bonded Turntrans-76.6-4.7170-75.9-62.3000113.4L49 L94 L95 N96 L103L49-F98 HydrophobicContact CD1-CD1 4.49Å; L49-F98 HydrophobicContact CD1-CD2 4.31Å; L49-F98 HydrophobicContact CD1-CE1 3.97Å; L49-F98 HydrophobicContact CD1-CE2 3.76Å; L49-F98 HydrophobicContact CD1-CZ 3.57Å; L49-F98 HydrophobicContact CD2-CE1 4.45Å; L49-F98 HydrophobicContact CD2-CE2 4.04Å; L49-F98 HydrophobicContact CD2-CZ 3.56Å; L49-F98 HydrophobicContact CG-CZ 4.21Å; L94-F98 HydrophobicContact CD1-CD2 4.2Å; L94-F98 HydrophobicContact CD1-CE2 3.75Å; L94-F98 HydrophobicContact CG-CD2 4.23Å; L94-F98 HydrophobicContact CG-CE2 4.09Å; L94-F98 WeakPolarHBondContact O-CD2 3.47Å; L94-F98 PolarHBondContact O-N 3.06Å; L94-F98 VanDerWaalsContact O-N 3.1Å; L95-F98 CarbonylContact O-C 3.56Å; L95-F98 PolarHBondContact O-N 3.48Å; N96-F98 PolarHBondContact O-N 2.9Å; F98-L103 HydrophobicContact CB-CD1 3.29Å; F98-L103 HydrophobicContact CB-CD2 3.58Å; F98-L103 HydrophobicContact CB-CG 3.93Å; F98-L103 HydrophobicContact CG-CD1 4.49Å; F98-L103 HydrophobicContact CG-CD2 4.47Å; F98-L103 WeakPolarHBondContact O-CD2 3.45Å; F98-L103 WeakPolarHBondContact O-CG 3.43Å
99K58.2Low71.9Confident177 Ų17765 Ų6577%0.7736%0.358SS*.  trans61.790.5-174.1-69.3-174.9178.11780114.8L95 N96 A97L95-K99 PolarHBondContact O-N 3.02Å; L95-K99 VanDerWaalsContact O-N 3.15Å; N96-K99 WeakPolarHBondContact O-CA 3.47Å; N96-K99 PolarHBondContact O-N 3.21Å; A97-K99 PolarHBondContact O-N 3.4Å
100A40.4Very low71.4Confident55 Ų5566.8 Ų66.846%0.45536%0.363SS..SBendtrans70.8138157.300000117L95 A102 L103L95-A100 PolarHBondContact O-N 3.32Å; A100-A102 PolarHBondContact O-N 3.38Å; A100-L103 WeakPolarHBondContact O-CA 3.46Å; A100-L103 WeakPolarHBondContact O-CB 3.27Å; A100-L103 WeakPolarHBondContact O-CD1 3.33Å; A100-L103 WeakPolarHBondContact O-CG 3.43Å; A100-L103 PolarHBondContact O-N 3.18Å; A100-L103 VanDerWaalsContact O-N 3.11Å
101Q40.1Very low70.7Confident159 Ų15967.6 Ų67.674%0.74337%0.37SS*.SBendtrans-56.16.9-175.1-72.9166-26.400116.9L95L95-Q101 HydrophobicContact CD1-CG 4.21Å
102A52.1Low70.3Confident57 Ų5767.5 Ų67.547%0.47137%0.367SS..SBendtrans-106.332.216800000111.9A100 S106A100-A102 PolarHBondContact O-N 3.38Å; A102-S106 WeakPolarHBondContact CB-OG 3.47Å; A102-S106 WeakPolarHBondContact O-CB 3.15Å; A102-S106 PolarHBondContact O-N 3.46Å; A102-S106 PolarHBondContact O-OG 3.02Å
103L61.1Low70.1Confident33 Ų3368.1 Ų68.117%0.17337%0.37CS..Hα-helixtrans-69.5-53.7-142.1-142.5151.2000114.4L95 F98 A100 S107L95-L103 HydrophobicContact CD2-CD1 4.28Å; L95-L103 WeakPolarHBondContact O-CD1 3.43Å; F98-L103 HydrophobicContact CB-CD1 3.29Å; F98-L103 HydrophobicContact CB-CD2 3.58Å; F98-L103 HydrophobicContact CB-CG 3.93Å; F98-L103 HydrophobicContact CG-CD1 4.49Å; F98-L103 HydrophobicContact CG-CD2 4.47Å; F98-L103 WeakPolarHBondContact O-CD2 3.45Å; F98-L103 WeakPolarHBondContact O-CG 3.43Å; A100-L103 WeakPolarHBondContact O-CA 3.46Å; A100-L103 WeakPolarHBondContact O-CB 3.27Å; A100-L103 WeakPolarHBondContact O-CD1 3.33Å; A100-L103 WeakPolarHBondContact O-CG 3.43Å; A100-L103 PolarHBondContact O-N 3.18Å; A100-L103 VanDerWaalsContact O-N 3.11Å; L103-S107 WeakPolarHBondContact O-CB 3.25Å; L103-S107 PolarHBondContact O-N 3.15Å; L103-S107 VanDerWaalsContact O-N 3.08Å; L103-S107 PolarHBondContact O-OG 2.93Å
104V66.2Low69.8Low84 Ų8472 Ų7251%0.50939%0.386SS..Hα-helixtrans-73.9-46.9-175.8-174.50000110.1S106 S107 V108 L158V104-S106 PolarHBondContact O-N 2.83Å; V104-S107 PolarHBondContact O-N 3.41Å; V104-V108 HydrophobicContact CG1-CG2 4.09Å; V104-V108 VanDerWaalsContact O-CB 3.22Å; V104-V108 WeakPolarHBondContact O-CB 3.46Å; V104-V108 WeakPolarHBondContact O-CG2 3.5Å; V104-V108 PolarHBondContact O-N 3.12Å; V104-L158 HydrophobicContact CB-CD1 4.3Å; V104-L158 HydrophobicContact CG1-CD1 3.88Å; V104-L158 HydrophobicContact CG1-CD2 3.53Å; V104-L158 HydrophobicContact CG1-CG 4.29Å
105K70.7Confident69.6Low65 Ų6573.3 Ų73.328%0.28339%0.39SS..Hα-helixtrans-57.7-46.9177.8-179.4-170.8175.2-175.40112.7V108 T109 L158 T161 L162 V165K105-V108 PolarHBondContact O-N 3.49Å; K105-T109 WeakPolarHBondContact O-CB 3.25Å; K105-T109 PolarHBondContact O-N 3.39Å; K105-T109 PolarHBondContact O-OG1 3.26Å; K105-L158 HydrophobicContact CB-CD1 4.39Å; K105-T161 HydrophobicContact CD-CG2 3.97Å; K105-L162 HydrophobicContact CG-CD2 4.44Å; K105-V165 VanDerWaalsContact NZ-CG1 3.35Å
106S73.9Confident69.7Low62 Ų6271.1 Ų71.143%0.43438%0.379SS..Hα-helixtrans-68.8-41.8-179.3-57.10000111.4A102 V104 T109 E110A102-S106 WeakPolarHBondContact CB-OG 3.47Å; A102-S106 WeakPolarHBondContact O-CB 3.15Å; A102-S106 PolarHBondContact O-N 3.46Å; A102-S106 PolarHBondContact O-OG 3.02Å; V104-S106 PolarHBondContact O-N 2.83Å; S106-T109 WeakPolarHBondContact O-CB 3.48Å; S106-T109 PolarHBondContact O-N 2.96Å; S106-E110 WeakPolarHBondContact O-CB 3.29Å; S106-E110 PolarHBondContact O-N 2.8Å
107S73.3Confident69.8Low55 Ų5570.3 Ų70.339%0.38537%0.374SS..Hα-helixtrans-64-41.3175.6-60.90000112L103 V104 E110 C111L103-S107 WeakPolarHBondContact O-CB 3.25Å; L103-S107 PolarHBondContact O-N 3.15Å; L103-S107 VanDerWaalsContact O-N 3.08Å; L103-S107 PolarHBondContact O-OG 2.93Å; V104-S107 PolarHBondContact O-N 3.41Å; S107-E110 PolarHBondContact O-N 3.28Å; S107-C111 WeakPolarHBondContact O-CB 3.43Å; S107-C111 PolarHBondContact O-N 2.59Å
108V76.1Confident70.1Confident13 Ų1368.9 Ų68.98%0.07936%0.362CS..Hα-helixtrans-62.6-43.9174.11660000110.5V104 K105 C111 A112 L133 L158 L162 L181 L184V104-V108 HydrophobicContact CG1-CG2 4.09Å; V104-V108 VanDerWaalsContact O-CB 3.22Å; V104-V108 WeakPolarHBondContact O-CB 3.46Å; V104-V108 WeakPolarHBondContact O-CG2 3.5Å; V104-V108 PolarHBondContact O-N 3.12Å; K105-V108 PolarHBondContact O-N 3.49Å; V108-C111 PolarHBondContact O-N 2.83Å; V108-A112 VanDerWaalsContact O-CB 3.29Å; V108-A112 WeakPolarHBondContact O-CB 3.42Å; V108-A112 PolarHBondContact O-N 3.36Å; V108-L133 HydrophobicContact CG1-CD1 4.21Å; V108-L133 HydrophobicContact CG2-CD2 4.41Å; V108-L158 HydrophobicContact CG2-CD2 4.34Å; V108-L162 HydrophobicContact CG1-CD1 4.25Å; V108-L162 HydrophobicContact CG1-CD2 4.45Å; V108-L181 HydrophobicContact CG1-CD2 3.67Å; V108-L184 HydrophobicContact CG1-CD2 3.45Å; V108-L184 VanDerWaalsContact CG1-CD2 3.45Å
109T77.9Confident70.6Confident29 Ų2968.9 Ų68.918%0.17836%0.361CS..Hα-helixtrans-61.9-46.3175.6-59.70000112K105 S106 A112 K113 Y166 L177 L181K105-T109 WeakPolarHBondContact O-CB 3.25Å; K105-T109 PolarHBondContact O-N 3.39Å; K105-T109 PolarHBondContact O-OG1 3.26Å; S106-T109 WeakPolarHBondContact O-CB 3.48Å; S106-T109 PolarHBondContact O-N 2.96Å; T109-A112 PolarHBondContact O-N 3.18Å; T109-K113 VanDerWaalsContact O-CB 3.3Å; T109-K113 WeakPolarHBondContact O-CB 3.41Å; T109-K113 PolarHBondContact O-N 3.32Å; T109-Y166 PolarHBondContact OG1-OH 3.25Å; T109-Y166 VanDerWaalsContact OG1-OH 3.1Å; T109-L177 HydrophobicContact CG2-CD2 4.2Å; T109-L181 HydrophobicContact CG2-CD1 3.95Å
110E79.1Confident71.5Confident139 Ų13965.1 Ų65.165%0.6536%0.357SS*.Hα-helixtrans-66.3-42.6178.7-172.5177.2178.100111.6S106 S107 K113 K114S106-E110 WeakPolarHBondContact O-CB 3.29Å; S106-E110 PolarHBondContact O-N 2.8Å; S107-E110 PolarHBondContact O-N 3.28Å; E110-K113 PolarHBondContact O-N 3.46Å; E110-K114 WeakPolarHBondContact O-CB 3.45Å; E110-K114 PolarHBondContact O-N 3.31Å
111C77.7Confident73.1Confident24 Ų2464 Ų6416%0.16235%0.347CS..Hα-helixtrans-62.6-45.4176-176.20000111.4S107 V108 K113 K114 K115 S131 L133S107-C111 WeakPolarHBondContact O-CB 3.43Å; S107-C111 PolarHBondContact O-N 2.59Å; V108-C111 PolarHBondContact O-N 2.83Å; C111-K113 VanDerWaalsContact C-N 3.34Å; C111-K113 PolarHBondContact O-N 3.17Å; C111-K114 PolarHBondContact O-N 3.14Å; C111-K115 WeakPolarHBondContact O-CB 3.2Å; C111-K115 PolarHBondContact O-N 3.44Å; C111-S131 PolarHBondContact SG-OG 2.72Å; C111-L133 HydrophobicContact CB-CD1 4.01Å; C111-L133 HydrophobicContact CB-CD2 4.01Å; C111-L133 HydrophobicContact CB-CG 4.19Å; C111-L133 VanDerWaalsContact SG-CG 3.56Å
112A77.9Confident74.7Confident6 Ų664.8 Ų64.85%0.0535%0.347CS..Hα-helixtrans-61.4-42.3174.700000111.6V108 T109 K115 L116 L133 L177 L181V108-A112 VanDerWaalsContact O-CB 3.29Å; V108-A112 WeakPolarHBondContact O-CB 3.42Å; V108-A112 PolarHBondContact O-N 3.36Å; T109-A112 PolarHBondContact O-N 3.18Å; A112-K115 PolarHBondContact O-N 3.2Å; A112-L116 WeakPolarHBondContact O-CG 3.13Å; A112-L116 PolarHBondContact O-N 2.86Å; A112-L133 HydrophobicContact CB-CD1 4.31Å; A112-L177 HydrophobicContact CB-CD1 3.57Å; A112-L181 HydrophobicContact CB-CD2 3.82Å; A112-L181 HydrophobicContact CB-CG 4.18Å
113K81.9Confident76Confident118 Ų11870.1 Ų70.151%0.51336%0.355SS..Hα-helixtrans-62.9-44176-172.5179.1-179.8-178.10111.6T109 E110 C111 L116 N117 L177T109-K113 VanDerWaalsContact O-CB 3.3Å; T109-K113 WeakPolarHBondContact O-CB 3.41Å; T109-K113 PolarHBondContact O-N 3.32Å; E110-K113 PolarHBondContact O-N 3.46Å; C111-K113 VanDerWaalsContact C-N 3.34Å; C111-K113 PolarHBondContact O-N 3.17Å; K113-L116 PolarHBondContact O-N 2.92Å; K113-N117 PolarHBondContact O-N 3.37Å; K113-L177 HydrophobicContact CB-CD1 3.95Å; K113-L177 HydrophobicContact CB-CD2 3.97Å; K113-L177 HydrophobicContact CD-CD2 4.37Å; K113-L177 HydrophobicContact CG-CD2 4.21Å; K113-L177 VanDerWaalsContact N-CD1 3.33Å
114K79.7Confident76.1Confident104 Ų10470.4 Ų70.445%0.45236%0.357SS..Hα-helixtrans-60.7-47.3175.4-173.6179.4177.2-177.30110.7E110 C111 L116 N117 V118E110-K114 WeakPolarHBondContact O-CB 3.45Å; E110-K114 PolarHBondContact O-N 3.31Å; C111-K114 PolarHBondContact O-N 3.14Å; K114-L116 VanDerWaalsContact C-N 3.3Å; K114-L116 PolarHBondContact O-N 3.01Å; K114-N117 PolarHBondContact O-N 3.27Å; K114-V118 WeakPolarHBondContact O-CG2 3.37Å; K114-V118 PolarHBondContact O-N 2.92Å
115K79.7Confident76.5Confident45 Ų4573.3 Ų73.320%0.19636%0.359CS..Hα-helixtrans-58.1-41.6177.2-170175.6-174.1179.10111.8C111 A112 V118 K119 D132C111-K115 WeakPolarHBondContact O-CB 3.2Å; C111-K115 PolarHBondContact O-N 3.44Å; A112-K115 PolarHBondContact O-N 3.2Å; K115-V118 PolarHBondContact O-N 3.49Å; K115-K119 WeakPolarHBondContact O-CB 3.31Å; K115-K119 WeakPolarHBondContact O-CG 3.38Å; K115-K119 PolarHBondContact O-N 2.89Å; K115-D132 IonicContact NZ-OD1 2.7Å; K115-D132 PolarHBondContact NZ-OD1 3.37Å
116L79Confident76.5Confident25 Ų2574.8 Ų74.813%0.13138%0.377CS..Hα-helixtrans-66.6-44.9176.6-75176.2000113.2A112 K113 K114 V118 K119 S120 G175 S176 L177 E180A112-L116 WeakPolarHBondContact O-CG 3.13Å; A112-L116 PolarHBondContact O-N 2.86Å; K113-L116 PolarHBondContact O-N 2.92Å; K114-L116 VanDerWaalsContact C-N 3.3Å; K114-L116 PolarHBondContact O-N 3.01Å; L116-V118 VanDerWaalsContact C-N 3.29Å; L116-V118 PolarHBondContact O-N 2.93Å; L116-K119 HydrophobicContact CD2-CD 4.46Å; L116-K119 PolarHBondContact O-N 3.47Å; L116-S120 PolarHBondContact O-N 3.18Å; L116-G175 WeakPolarHBondContact CD2-O 3.24Å; L116-S176 VanDerWaalsContact CD1-C 3.42Å; L116-L177 HydrophobicContact CD1-CB 3.83Å; L116-L177 HydrophobicContact CD1-CD1 4.23Å; L116-E180 HydrophobicContact CD1-CG 4.2Å; L116-E180 HydrophobicContact CD2-CG 3.93Å; L116-E180 HydrophobicContact CG-CG 4.25Å
117N79.2Confident75.9Confident83 Ų8376.2 Ų76.244%0.44438%0.383SS..Hα-helixtrans-61.2-39.7175.3-71.5-13.7000111.7K113 K114 S120 S121 L124K113-N117 PolarHBondContact O-N 3.37Å; K114-N117 PolarHBondContact O-N 3.27Å; N117-S120 PolarHBondContact O-OG 2.98Å; N117-S121 PolarHBondContact O-N 2.89Å; N117-L124 WeakPolarHBondContact O-CD1 3.38Å
118V79.1Confident75.6Confident12 Ų1276.2 Ų76.27%0.07338%0.378CS..Hα-helixtrans-65.5-48.9174.5173.20000110K114 K115 L116 S120 S121 L124 R125 I128 C130K114-V118 WeakPolarHBondContact O-CG2 3.37Å; K114-V118 PolarHBondContact O-N 2.92Å; K115-V118 PolarHBondContact O-N 3.49Å; L116-V118 VanDerWaalsContact C-N 3.29Å; L116-V118 PolarHBondContact O-N 2.93Å; V118-S120 PolarHBondContact O-N 2.92Å; V118-S121 PolarHBondContact O-N 2.78Å; V118-S121 VanDerWaalsContact O-N 3.12Å; V118-L124 HydrophobicContact CB-CB 4.38Å; V118-L124 HydrophobicContact CG1-CB 4.4Å; V118-L124 HydrophobicContact CG2-CB 4.12Å; V118-R125 HydrophobicContact CG1-CB 4.45Å; V118-R125 HydrophobicContact CG1-CG 3.78Å; V118-R125 WeakPolarHBondContact O-CG 3.47Å; V118-I128 HydrophobicContact CG2-CB 4.02Å; V118-I128 HydrophobicContact CG2-CD1 4.46Å; V118-I128 HydrophobicContact CG2-CG2 3.93Å; V118-C130 WeakPolarHBondContact CG2-SG 3.34Å
119K78.2Confident75.1Confident101 Ų10184.7 Ų84.744%0.43942%0.417SS..Hα-helixtrans-54.2-38.9177.5-79179.4-177.4178.90112.8K115 L116 S121 E180K115-K119 WeakPolarHBondContact O-CB 3.31Å; K115-K119 WeakPolarHBondContact O-CG 3.38Å; K115-K119 PolarHBondContact O-N 2.89Å; L116-K119 HydrophobicContact CD2-CD 4.46Å; L116-K119 PolarHBondContact O-N 3.47Å; K119-S121 VanDerWaalsContact C-N 3.35Å; K119-S121 PolarHBondContact O-N 3.03Å; K119-E180 IonicContact NZ-OE1 2.8Å; K119-E180 PolarHBondContact NZ-OE1 3Å
120S78.4Confident74.4Confident98 Ų9885.5 Ų85.569%0.68542%0.423SS*.Hα-helixtrans-74.1-20-177.969.40000114.3L116 N117 V118L116-S120 PolarHBondContact O-N 3.18Å; N117-S120 PolarHBondContact O-OG 2.98Å; V118-S120 PolarHBondContact O-N 2.92Å
121S73.7Confident73.9Confident33 Ų3382.4 Ų82.423%0.23142%0.417CS..  trans-115.1124.5-177.7174.50000112.4N117 V118 K119 W123 L124 R125N117-S121 PolarHBondContact O-N 2.89Å; V118-S121 PolarHBondContact O-N 2.78Å; V118-S121 VanDerWaalsContact O-N 3.12Å; K119-S121 VanDerWaalsContact C-N 3.35Å; K119-S121 PolarHBondContact O-N 3.03Å; S121-W123 VanDerWaalsContact C-N 3.29Å; S121-W123 PolarHBondContact O-N 3.1Å; S121-W123 PolarHBondContact OG-N 3.29Å; S121-L124 PolarHBondContact O-N 3.09Å; S121-L124 PolarHBondContact OG-N 3.26Å; S121-R125 PolarHBondContact O-N 3.05Å; S121-R125 VanDerWaalsContact O-N 3.15Å; S121-R125 PolarHBondContact O-NE 2.69Å
122K74.5Confident73.7Confident174 Ų17483.6 Ų83.676%0.75742%0.422SS*.Hα-helixtrans-61.9-38.2173.4-73.5-177.2-179.7-179.90111.9R125 S126K122-R125 PolarHBondContact O-N 3Å; K122-S126 PolarHBondContact O-N 3.3Å
123W79.2Confident73.6Confident170 Ų17084.7 Ų84.764%0.64443%0.427SS*.Hα-helixtrans-69.4-43.3178.9177.878.5000112.2S121 R125 S126 V127S121-W123 VanDerWaalsContact C-N 3.29Å; S121-W123 PolarHBondContact O-N 3.1Å; S121-W123 PolarHBondContact OG-N 3.29Å; W123-R125 VanDerWaalsContact C-N 3.28Å; W123-R125 PolarHBondContact O-N 2.58Å; W123-S126 PolarHBondContact O-N 3Å; W123-S126 VanDerWaalsContact O-N 3.13Å; W123-S126 PolarHBondContact O-OG 3.25Å; W123-V127 HydrophobicContact CD2-CG2 4.48Å; W123-V127 HydrophobicContact CZ2-CG2 4.31Å; W123-V127 WeakPolarHBondContact O-CG2 3.5Å; W123-V127 PolarHBondContact O-N 3.37Å
124L62.8Low73.1Confident39 Ų3982.8 Ų82.820%0.20442%0.416CS..Hα-helixtrans-64.1-35.8176.7-67.1175.7000111.5N117 V118 S121 S126 V127 I128N117-L124 WeakPolarHBondContact O-CD1 3.38Å; V118-L124 HydrophobicContact CB-CB 4.38Å; V118-L124 HydrophobicContact CG1-CB 4.4Å; V118-L124 HydrophobicContact CG2-CB 4.12Å; S121-L124 PolarHBondContact O-N 3.09Å; S121-L124 PolarHBondContact OG-N 3.26Å; L124-S126 PolarHBondContact O-N 3.04Å; L124-V127 PolarHBondContact O-N 3.1Å; L124-I128 HydrophobicContact CD2-CD1 3.57Å; L124-I128 HydrophobicContact CD2-CG1 4.28Å; L124-I128 WeakPolarHBondContact O-CB 3.48Å; L124-I128 PolarHBondContact O-N 2.98Å
125R74.6Confident72.9Confident145 Ų14584.3 Ų84.355%0.54742%0.423SS..Hα-helixtrans-61.1-28.1174.5-80.6-176.1-77.3167.5-10.2114.2V118 S121 K122 W123V118-R125 HydrophobicContact CG1-CB 4.45Å; V118-R125 HydrophobicContact CG1-CG 3.78Å; V118-R125 WeakPolarHBondContact O-CG 3.47Å; S121-R125 PolarHBondContact O-N 3.05Å; S121-R125 VanDerWaalsContact O-N 3.15Å; S121-R125 PolarHBondContact O-NE 2.69Å; K122-R125 PolarHBondContact O-N 3Å; W123-R125 VanDerWaalsContact C-N 3.28Å; W123-R125 PolarHBondContact O-N 2.58Å
126S69.8Low72.6Confident95 Ų9585.4 Ų85.466%0.66443%0.433SS*.Hα-helixtrans-87.3-13.1178.256.60000113.9K122 W123 L124K122-S126 PolarHBondContact O-N 3.3Å; W123-S126 PolarHBondContact O-N 3Å; W123-S126 VanDerWaalsContact O-N 3.13Å; W123-S126 PolarHBondContact O-OG 3.25Å; L124-S126 PolarHBondContact O-N 3.04Å
127V61.4Low72.3Confident92 Ų9284.8 Ų84.856%0.55843%0.43SS*.Hα-helixtrans-117.8-30.8-171.8-177.70000112.6W123 L124W123-V127 HydrophobicContact CD2-CG2 4.48Å; W123-V127 HydrophobicContact CZ2-CG2 4.31Å; W123-V127 WeakPolarHBondContact O-CG2 3.5Å; W123-V127 PolarHBondContact O-N 3.37Å; L124-V127 PolarHBondContact O-N 3.1Å
128I67.3Low71.9Confident56 Ų5683.7 Ų83.729%0.28743%0.425SS..  trans-113.9114-172.7-56-171.8000110.3V118 L124 C130V118-I128 HydrophobicContact CG2-CB 4.02Å; V118-I128 HydrophobicContact CG2-CD1 4.46Å; V118-I128 HydrophobicContact CG2-CG2 3.93Å; L124-I128 HydrophobicContact CD2-CD1 3.57Å; L124-I128 HydrophobicContact CD2-CG1 4.28Å; L124-I128 WeakPolarHBondContact O-CB 3.48Å; L124-I128 PolarHBondContact O-N 2.98Å; I128-C130 PolarHBondContact O-N 3.33Å
129E66.1Low71.6Confident191 Ų19186.2 Ų86.289%0.89344%0.443SS*.  trans-69.4127.1162.5-68-175.117400109.8
130C63.6Low71.4Confident46 Ų4684.7 Ų84.731%0.31144%0.439SS..  trans-107.9126.9172-82.30000109.7V118 I128V118-C130 WeakPolarHBondContact CG2-SG 3.34Å; I128-C130 PolarHBondContact O-N 3.33Å
131S68.5Low70.8Confident73 Ų7381.1 Ų81.151%0.5141%0.412SS..  trans-60.6142.7168.649.60000110.3C111C111-S131 PolarHBondContact SG-OG 2.72Å
132D73.3Confident70.5Confident50 Ų5082 Ų8227%0.26742%0.418SS..  trans-95.1102.5175.1-165.2-0.9000109.5K115 R134 K135 T136K115-D132 IonicContact NZ-OD1 2.7Å; K115-D132 PolarHBondContact NZ-OD1 3.37Å; D132-R134 PolarHBondContact O-N 3.38Å; D132-R134 VanDerWaalsContact O-N 3.12Å; D132-R134 PolarHBondContact OD1-N 3.2Å; D132-K135 HydrophobicContact CB-CB 4.06Å; D132-K135 HydrophobicContact CB-CD 3.95Å; D132-K135 HydrophobicContact CB-CG 3.84Å; D132-K135 WeakPolarHBondContact O-CA 3.35Å; D132-K135 WeakPolarHBondContact O-CB 3.47Å; D132-K135 PolarHBondContact O-N 3.38Å; D132-T136 PolarHBondContact O-N 2.99Å; D132-T136 PolarHBondContact O-OG1 2.91Å
133L75.3Confident70.2Confident29 Ų2974.9 Ų74.915%0.15239%0.387CS..Hα-helixtrans-50.4-37.7179.5-73.2170000112.4V108 C111 A112 T136 V137 L184V108-L133 HydrophobicContact CG1-CD1 4.21Å; V108-L133 HydrophobicContact CG2-CD2 4.41Å; C111-L133 HydrophobicContact CB-CD1 4.01Å; C111-L133 HydrophobicContact CB-CD2 4.01Å; C111-L133 HydrophobicContact CB-CG 4.19Å; C111-L133 VanDerWaalsContact SG-CG 3.56Å; A112-L133 HydrophobicContact CB-CD1 4.31Å; L133-T136 PolarHBondContact O-N 2.8Å; L133-V137 WeakPolarHBondContact O-CB 3.37Å; L133-V137 VanDerWaalsContact O-CG2 3.26Å; L133-V137 WeakPolarHBondContact O-CG2 3.33Å; L133-V137 PolarHBondContact O-N 2.93Å; L133-L184 HydrophobicContact CB-CD2 4.26Å; L133-L184 HydrophobicContact CD1-CD2 3.91Å
134R72.5Confident69.4Low77 Ų7772 Ų7229%0.29138%0.381SS..Hα-helixtrans-61.9-48.2176.2-71.6-177.2-173.1-103.3-2.6111.3D132 T136 V137 D138 S183 L184 Y187D132-R134 PolarHBondContact O-N 3.38Å; D132-R134 VanDerWaalsContact O-N 3.12Å; D132-R134 PolarHBondContact OD1-N 3.2Å; R134-T136 VanDerWaalsContact C-N 3.29Å; R134-T136 PolarHBondContact O-N 3.45Å; R134-V137 CarbonylContact O-C 3.59Å; R134-V137 WeakPolarHBondContact O-CB 3.33Å; R134-V137 PolarHBondContact O-N 3.43Å; R134-V137 VanDerWaalsContact O-N 3.13Å; R134-D138 WeakPolarHBondContact O-CB 3.23Å; R134-D138 PolarHBondContact O-N 3.05Å; R134-S183 PolarHBondContact NH2-OG 2.98Å; R134-L184 HydrophobicContact CG-CD1 4.39Å; R134-Y187 HydrophobicContact CB-CE1 4.36Å; R134-Y187 HydrophobicContact CG-CD1 4.29Å; R134-Y187 HydrophobicContact CG-CE1 4.27Å; R134-Y187 VanDerWaalsContact NH1-CG 3.29Å
135K74.1Confident69.5Low136 Ų13670.7 Ų70.759%0.59138%0.375SS*.Hα-helixtrans-61.7-36.7176.3-64-174.2-178.5-1740112.6D132 S139D132-K135 HydrophobicContact CB-CB 4.06Å; D132-K135 HydrophobicContact CB-CD 3.95Å; D132-K135 HydrophobicContact CB-CG 3.84Å; D132-K135 WeakPolarHBondContact O-CA 3.35Å; D132-K135 WeakPolarHBondContact O-CB 3.47Å; D132-K135 PolarHBondContact O-N 3.38Å; K135-S139 WeakPolarHBondContact O-CB 3.31Å; K135-S139 PolarHBondContact O-N 2.91Å; K135-S139 PolarHBondContact O-OG 3.03Å
136T74.3Confident68.8Low69 Ų6970.3 Ų70.342%0.42338%0.383SS..Hα-helixtrans-64-46.7174.4-57.40000110.8D132 L133 R134 S139 L140D132-T136 PolarHBondContact O-N 2.99Å; D132-T136 PolarHBondContact O-OG1 2.91Å; L133-T136 PolarHBondContact O-N 2.8Å; R134-T136 VanDerWaalsContact C-N 3.29Å; R134-T136 PolarHBondContact O-N 3.45Å; T136-S139 WeakPolarHBondContact O-CB 3.3Å; T136-S139 PolarHBondContact O-N 3.28Å; T136-L140 HydrophobicContact CG2-CD1 4.45Å; T136-L140 WeakPolarHBondContact O-CG 3.25Å; T136-L140 PolarHBondContact O-N 3.29Å
137V73.2Confident68.5Low11 Ų1166.6 Ų66.67%0.06736%0.357CS..Hα-helixtrans-60.8-46.6175.2168.10000110.9L133 R134 S139 L140 I141 Y187 L188L133-V137 WeakPolarHBondContact O-CB 3.37Å; L133-V137 VanDerWaalsContact O-CG2 3.26Å; L133-V137 WeakPolarHBondContact O-CG2 3.33Å; L133-V137 PolarHBondContact O-N 2.93Å; R134-V137 CarbonylContact O-C 3.59Å; R134-V137 WeakPolarHBondContact O-CB 3.33Å; R134-V137 PolarHBondContact O-N 3.43Å; R134-V137 VanDerWaalsContact O-N 3.13Å; V137-S139 PolarHBondContact O-N 3.16Å; V137-L140 CarbonylContact O-C 3.56Å; V137-L140 WeakPolarHBondContact O-CB 3.34Å; V137-L140 PolarHBondContact O-N 3.36Å; V137-I141 HydrophobicContact CG1-CD1 3.5Å; V137-I141 VanDerWaalsContact CG1-CD1 3.5Å; V137-I141 HydrophobicContact CG1-CG1 4.13Å; V137-I141 WeakPolarHBondContact O-CG1 3.34Å; V137-I141 PolarHBondContact O-N 3.45Å; V137-Y187 HydrophobicContact CG1-CD1 4.39Å; V137-Y187 HydrophobicContact CG1-CE1 4.16Å; V137-L188 HydrophobicContact CB-CD2 4.26Å; V137-L188 HydrophobicContact CG1-CD2 3.48Å; V137-L188 VanDerWaalsContact CG1-CD2 3.48Å; V137-L188 HydrophobicContact CG1-CG 4.4Å; V137-L188 HydrophobicContact CG2-CD2 3.7Å; V137-L188 HydrophobicContact CG2-CG 4.47Å
138D70.3Confident68.8Low60 Ų6062.6 Ų62.632%0.32133%0.332SS..Hα-helixtrans-59.8-35.9176.6-60-21.4000111.7R134 S142 Y187R134-D138 WeakPolarHBondContact O-CB 3.23Å; R134-D138 PolarHBondContact O-N 3.05Å; D138-S142 VanDerWaalsContact O-CB 3.24Å; D138-S142 WeakPolarHBondContact O-CB 3.34Å; D138-S142 PolarHBondContact O-N 3.41Å; D138-S142 PolarHBondContact O-OG 3.44Å; D138-Y187 VanDerWaalsContact CG-OH 3.27Å; D138-Y187 WeakPolarHBondContact OD1-CE1 3.43Å; D138-Y187 VanDerWaalsContact OD1-CZ 3.29Å; D138-Y187 PolarHBondContact OD1-OH 3.04Å; D138-Y187 PolarHBondContact OD2-OH 2.9Å
139S72.8Confident68.7Low66 Ų6662.4 Ų62.446%0.46233%0.33SS..Hα-helixtrans-69.8-34176.1-58.40000112.4K135 T136 V137 S142 Y143K135-S139 WeakPolarHBondContact O-CB 3.31Å; K135-S139 PolarHBondContact O-N 2.91Å; K135-S139 PolarHBondContact O-OG 3.03Å; T136-S139 WeakPolarHBondContact O-CB 3.3Å; T136-S139 PolarHBondContact O-N 3.28Å; V137-S139 PolarHBondContact O-N 3.16Å; S139-S142 WeakPolarHBondContact CA-OG 3.43Å; S139-S142 PolarHBondContact O-OG 3.48Å; S139-Y143 PolarHBondContact O-N 2.89Å
140L72.9Confident68.8Low68 Ų6859.8 Ų59.836%0.35631%0.313SS..Hα-helixtrans-75.3-41.8174.6-68.2170.1000111.4T136 V137 S142 Y143 W148 V151 L155T136-L140 HydrophobicContact CG2-CD1 4.45Å; T136-L140 WeakPolarHBondContact O-CG 3.25Å; T136-L140 PolarHBondContact O-N 3.29Å; V137-L140 CarbonylContact O-C 3.56Å; V137-L140 WeakPolarHBondContact O-CB 3.34Å; V137-L140 PolarHBondContact O-N 3.36Å; L140-S142 PolarHBondContact O-N 2.98Å; L140-Y143 WeakPolarHBondContact O-CB 3.46Å; L140-Y143 PolarHBondContact O-N 3.16Å; L140-Y143 VanDerWaalsContact O-N 3.09Å; L140-W148 WeakPolarHBondContact O-CZ3 3.1Å; L140-V151 HydrophobicContact CB-CG1 4.31Å; L140-V151 HydrophobicContact CD2-CG1 4.49Å; L140-L155 HydrophobicContact CB-CD1 3.95Å; L140-L155 HydrophobicContact CD1-CD2 4.25Å
141I67.6Low69.1Low24 Ų2459.9 Ų59.912%0.12331%0.312CS..Hα-helixtrans-70.1-20.2175.5-63.7175.5000111.6V137 W148 I152 L155 E191V137-I141 HydrophobicContact CG1-CD1 3.5Å; V137-I141 VanDerWaalsContact CG1-CD1 3.5Å; V137-I141 HydrophobicContact CG1-CG1 4.13Å; V137-I141 WeakPolarHBondContact O-CG1 3.34Å; V137-I141 PolarHBondContact O-N 3.45Å; I141-W148 VanDerWaalsContact C-CZ3 3.4Å; I141-W148 HydrophobicContact CG2-CH2 4.18Å; I141-W148 WeakPolarHBondContact O-CH2 3.43Å; I141-W148 WeakPolarHBondContact O-CZ3 3.04Å; I141-I152 HydrophobicContact CG1-CD1 4.13Å; I141-L155 HydrophobicContact CG1-CD1 3.93Å; I141-E191 HydrophobicContact CD1-CB 3.64Å
142S67.5Low69Low50 Ų5056.4 Ų56.435%0.3529%0.288SS..THydrogen-bonded Turntrans-93.96.8171.259.60000113.3R70 D138 S139 L140 E144R70-S142 PolarHBondContact NH1-O 2.75Å; D138-S142 VanDerWaalsContact O-CB 3.24Å; D138-S142 WeakPolarHBondContact O-CB 3.34Å; D138-S142 PolarHBondContact O-N 3.41Å; D138-S142 PolarHBondContact O-OG 3.44Å; S139-S142 WeakPolarHBondContact CA-OG 3.43Å; S139-S142 PolarHBondContact O-OG 3.48Å; L140-S142 PolarHBondContact O-N 2.98Å; S142-E144 PolarHBondContact O-N 3.43Å; S142-E144 VanDerWaalsContact O-N 3.15Å
143Y67.1Low68.8Low26 Ų2658.8 Ų58.810%0.10230%0.297CS..  trans-82.687.1-175.7-165-90.2000111.6R70 Q73 S74 S139 L140 S145R70-Y143 VanDerWaalsContact CA-OH 3.28Å; R70-Y143 WeakPolarHBondContact CA-OH 3.29Å; R70-Y143 HydrophobicContact CB-CD2 4.3Å; R70-Y143 HydrophobicContact CB-CE1 4.19Å; R70-Y143 HydrophobicContact CB-CE2 3.64Å; R70-Y143 HydrophobicContact CG-CD2 3.75Å; R70-Y143 HydrophobicContact CG-CE2 3.31Å; R70-Y143 PolarHBondContact O-OH 2.95Å; Q73-Y143 VanDerWaalsContact CB-OH 3.24Å; Q73-Y143 WeakPolarHBondContact CB-OH 3.48Å; Q73-Y143 PolarHBondContact OE1-OH 2.74Å; S74-Y143 VanDerWaalsContact OG-CE1 3.28Å; S74-Y143 WeakPolarHBondContact OG-CE1 3.3Å; S74-Y143 PolarHBondContact OG-OH 3.18Å; S139-Y143 PolarHBondContact O-N 2.89Å; L140-Y143 WeakPolarHBondContact O-CB 3.46Å; L140-Y143 PolarHBondContact O-N 3.16Å; L140-Y143 VanDerWaalsContact O-N 3.09Å; Y143-S145 WeakPolarHBondContact CD1-OG 3.5Å; Y143-S145 WeakPolarHBondContact CE1-OG 3.5Å; Y143-S145 PolarHBondContact O-N 3.1Å
144E63.2Low68.6Low110 Ų11059 Ų5951%0.51431%0.306SS..  trans-72115.1174.4-68.1165.6-167.800109.8S142 K198S142-E144 PolarHBondContact O-N 3.43Å; S142-E144 VanDerWaalsContact O-N 3.15Å; E144-K198 IonicContact OE1-NZ 3.45Å; E144-K198 PolarHBondContact OE1-NZ 3.18Å
145S65Low68.6Low11 Ų1156 Ų568%0.07730%0.296CS..SBendtrans-159.3160.2176.369.80000111.4S74 Y143 S147 W148S74-S145 WeakPolarHBondContact OG-CB 3.34Å; S74-S145 PolarHBondContact OG-OG 2.98Å; Y143-S145 WeakPolarHBondContact CD1-OG 3.5Å; Y143-S145 WeakPolarHBondContact CE1-OG 3.5Å; Y143-S145 PolarHBondContact O-N 3.1Å; S145-S147 PolarHBondContact O-N 3.02Å; S145-W148 WeakPolarHBondContact O-CB 3.24Å; S145-W148 PolarHBondContact O-N 3.05Å; S145-W148 VanDerWaalsContact O-N 3.13Å; S145-W148 PolarHBondContact OG-N 3.04Å
146D59.3Low68.3Low137 Ų13750.1 Ų50.173%0.73327%0.272SS*.THydrogen-bonded Turntrans-65.30-179.3-55.2-28.7000115.1
147S62.9Low68.1Low17 Ų1752.5 Ų52.512%0.11928%0.278CS..THydrogen-bonded Turntrans-132.619.2179.6-550000112.4L78 S145 E149 Y150L78-S147 WeakPolarHBondContact CD1-OG 3.28Å; S145-S147 PolarHBondContact O-N 3.02Å; S147-E149 WeakPolarHBondContact CA-OE2 3.46Å; S147-E149 PolarHBondContact O-N 3.03Å; S147-Y150 PolarHBondContact O-N 2.93Å
148W68.5Low68.2Low8 Ų852.8 Ų52.83%0.0328%0.279CS..Hα-helixtrans-54.5-33.1-179.7145.7-84.8000112.7L140 I141 S145 Y150 V151 I152 G195 A199L140-W148 WeakPolarHBondContact O-CZ3 3.1Å; I141-W148 VanDerWaalsContact C-CZ3 3.4Å; I141-W148 HydrophobicContact CG2-CH2 4.18Å; I141-W148 WeakPolarHBondContact O-CH2 3.43Å; I141-W148 WeakPolarHBondContact O-CZ3 3.04Å; S145-W148 WeakPolarHBondContact O-CB 3.24Å; S145-W148 PolarHBondContact O-N 3.05Å; S145-W148 VanDerWaalsContact O-N 3.13Å; S145-W148 PolarHBondContact OG-N 3.04Å; W148-Y150 VanDerWaalsContact C-N 3.32Å; W148-Y150 PolarHBondContact O-N 2.74Å; W148-V151 WeakPolarHBondContact O-CB 3.46Å; W148-V151 PolarHBondContact O-N 2.92Å; W148-V151 VanDerWaalsContact O-N 3.07Å; W148-I152 HydrophobicContact CD2-CD1 4.24Å; W148-I152 HydrophobicContact CD2-CG1 3.63Å; W148-I152 HydrophobicContact CE3-CD1 3.93Å; W148-I152 HydrophobicContact CE3-CG1 3.8Å; W148-I152 HydrophobicContact CG-CG1 4.45Å; W148-I152 HydrophobicContact CH2-CD1 3.12Å; W148-I152 HydrophobicContact CH2-CG1 3.49Å; W148-I152 VanDerWaalsContact CH2-CG1 3.49Å; W148-I152 HydrophobicContact CZ2-CB 4.47Å; W148-I152 HydrophobicContact CZ2-CD1 3.41Å; W148-I152 VanDerWaalsContact CZ2-CD1 3.41Å; W148-I152 HydrophobicContact CZ2-CG1 3.2Å; W148-I152 HydrophobicContact CZ3-CD1 3.38Å; W148-I152 HydrophobicContact CZ3-CG1 3.75Å; W148-I152 PolarHBondContact O-N 3.45Å; W148-I152 VanDerWaalsContact O-N 3.1Å; W148-G195 VanDerWaalsContact CZ2-O 3.31Å; W148-G195 WeakPolarHBondContact CZ2-O 3.23Å; W148-A199 VanDerWaalsContact CD1-CB 3.46Å; W148-A199 HydrophobicContact CD2-CB 4.01Å; W148-A199 HydrophobicContact CG-CB 4.15Å; W148-A199 HydrophobicContact CH2-CB 4.5Å; W148-A199 HydrophobicContact CZ2-CB 3.38Å
149E64.6Low68.1Low52 Ų5250 Ų5024%0.24326%0.264CS..Hα-helixtrans-59.6-41.2-17663-77.9-178.300112.1S147 V151 I152 E153 I206S147-E149 WeakPolarHBondContact CA-OE2 3.46Å; S147-E149 PolarHBondContact O-N 3.03Å; E149-V151 VanDerWaalsContact C-N 3.31Å; E149-V151 PolarHBondContact O-N 3.33Å; E149-I152 PolarHBondContact O-N 2.97Å; E149-E153 WeakPolarHBondContact O-CB 3.42Å; E149-E153 PolarHBondContact O-N 3.5Å; E149-I206 HydrophobicContact CB-CD1 4.31Å; E149-I206 HydrophobicContact CB-CG2 4.31Å; E149-I206 HydrophobicContact CG-CG2 4.33Å
150Y67.9Low67.9Low135 Ų13549.3 Ų49.353%0.52925%0.253SS..Hα-helixtrans-67.2-33.7177.2-59.3-63.6000112.4S147 W148 G154S147-Y150 PolarHBondContact O-N 2.93Å; W148-Y150 VanDerWaalsContact C-N 3.32Å; W148-Y150 PolarHBondContact O-N 2.74Å; Y150-G154 PolarHBondContact O-N 2.77Å; Y150-G154 VanDerWaalsContact O-N 3.13Å
151V70.3Confident67.8Low49 Ų4948.4 Ų48.430%0.29725%0.25SS..Hα-helixtrans-65.9-44.7177.3178.30000109.4L140 W148 E149 G154 L155L140-V151 HydrophobicContact CB-CG1 4.31Å; L140-V151 HydrophobicContact CD2-CG1 4.49Å; W148-V151 WeakPolarHBondContact O-CB 3.46Å; W148-V151 PolarHBondContact O-N 2.92Å; W148-V151 VanDerWaalsContact O-N 3.07Å; E149-V151 VanDerWaalsContact C-N 3.31Å; E149-V151 PolarHBondContact O-N 3.33Å; V151-G154 PolarHBondContact O-N 2.92Å; V151-L155 HydrophobicContact CG1-CD1 4.08Å; V151-L155 VanDerWaalsContact O-CG 3.27Å; V151-L155 WeakPolarHBondContact O-CG 3.31Å; V151-L155 PolarHBondContact O-N 2.81Å
152I67.2Low68Low0 Ų047.2 Ų47.20%024%0.244CC..Hα-helixtrans-75.9-37.4-177.5-57.1-67.6000113I141 W148 E149 G154 L155 C156 C192 L196I141-I152 HydrophobicContact CG1-CD1 4.13Å; W148-I152 HydrophobicContact CD2-CD1 4.24Å; W148-I152 HydrophobicContact CD2-CG1 3.63Å; W148-I152 HydrophobicContact CE3-CD1 3.93Å; W148-I152 HydrophobicContact CE3-CG1 3.8Å; W148-I152 HydrophobicContact CG-CG1 4.45Å; W148-I152 HydrophobicContact CH2-CD1 3.12Å; W148-I152 HydrophobicContact CH2-CG1 3.49Å; W148-I152 VanDerWaalsContact CH2-CG1 3.49Å; W148-I152 HydrophobicContact CZ2-CB 4.47Å; W148-I152 HydrophobicContact CZ2-CD1 3.41Å; W148-I152 VanDerWaalsContact CZ2-CD1 3.41Å; W148-I152 HydrophobicContact CZ2-CG1 3.2Å; W148-I152 HydrophobicContact CZ3-CD1 3.38Å; W148-I152 HydrophobicContact CZ3-CG1 3.75Å; W148-I152 PolarHBondContact O-N 3.45Å; W148-I152 VanDerWaalsContact O-N 3.1Å; E149-I152 PolarHBondContact O-N 2.97Å; I152-G154 VanDerWaalsContact C-N 3.3Å; I152-G154 PolarHBondContact O-N 2.86Å; I152-L155 HydrophobicContact CD1-CD1 4.14Å; I152-L155 PolarHBondContact O-N 3.27Å; I152-C156 WeakPolarHBondContact O-CB 3.5Å; I152-C156 PolarHBondContact O-N 3.05Å; I152-C156 PolarHBondContact O-SG 3.44Å; I152-C192 HydrophobicContact CG2-CB 4.03Å; I152-L196 HydrophobicContact CB-CD2 3.72Å; I152-L196 HydrophobicContact CB-CG 4.34Å; I152-L196 HydrophobicContact CG2-CB 4.48Å; I152-L196 HydrophobicContact CG2-CD1 4.18Å; I152-L196 HydrophobicContact CG2-CD2 3.26Å; I152-L196 HydrophobicContact CG2-CG 3.34Å
153E68.2Low68Low100 Ų10045.2 Ų45.247%0.46723%0.23SC..Hα-helixtrans-54.1-50.7170.9-174.9178.9-170.100110E149 L155 C156 E157E149-E153 WeakPolarHBondContact O-CB 3.42Å; E149-E153 PolarHBondContact O-N 3.5Å; E153-L155 VanDerWaalsContact C-N 3.34Å; E153-L155 PolarHBondContact O-N 3.45Å; E153-C156 WeakPolarHBondContact O-CB 3.44Å; E153-C156 PolarHBondContact O-N 3.01Å; E153-C156 VanDerWaalsContact O-N 3.17Å; E153-E157 WeakPolarHBondContact O-CG 3.33Å; E153-E157 PolarHBondContact O-N 3.18Å
154G70.8Confident68.1Low33 Ų3351.1 Ų51.134%0.3426%0.258SS..Hα-helixtrans-63.6-33.917700000114.3Y150 V151 I152 L158Y150-G154 PolarHBondContact O-N 2.77Å; Y150-G154 VanDerWaalsContact O-N 3.13Å; V151-G154 PolarHBondContact O-N 2.92Å; I152-G154 VanDerWaalsContact C-N 3.3Å; I152-G154 PolarHBondContact O-N 2.86Å; G154-L158 WeakPolarHBondContact O-CB 3.39Å; G154-L158 PolarHBondContact O-N 3.01Å
155L73.4Confident68.5Low15 Ų1548.8 Ų48.88%0.07925%0.251CS..Hα-helixtrans-71.7-35.4174.2-72.4174.3000112.5L140 I141 V151 I152 E153 G159 L188 C192L140-L155 HydrophobicContact CB-CD1 3.95Å; L140-L155 HydrophobicContact CD1-CD2 4.25Å; I141-L155 HydrophobicContact CG1-CD1 3.93Å; V151-L155 HydrophobicContact CG1-CD1 4.08Å; V151-L155 VanDerWaalsContact O-CG 3.27Å; V151-L155 WeakPolarHBondContact O-CG 3.31Å; V151-L155 PolarHBondContact O-N 2.81Å; I152-L155 HydrophobicContact CD1-CD1 4.14Å; I152-L155 PolarHBondContact O-N 3.27Å; E153-L155 VanDerWaalsContact C-N 3.34Å; E153-L155 PolarHBondContact O-N 3.45Å; L155-G159 PolarHBondContact O-N 2.92Å; L155-L188 HydrophobicContact CB-CD2 4.31Å; L155-L188 HydrophobicContact CD2-CD2 3.91Å; L155-C192 VanDerWaalsContact CB-SG 3.52Å
156C68.1Low68.7Low11 Ų1150.2 Ų50.27%0.07426%0.255CS..Hα-helixtrans-63.6-51.9172.4-69.20000110.3I152 E153 L158 G159 F160 C192I152-C156 WeakPolarHBondContact O-CB 3.5Å; I152-C156 PolarHBondContact O-N 3.05Å; I152-C156 PolarHBondContact O-SG 3.44Å; E153-C156 WeakPolarHBondContact O-CB 3.44Å; E153-C156 PolarHBondContact O-N 3.01Å; E153-C156 VanDerWaalsContact O-N 3.17Å; C156-L158 VanDerWaalsContact C-N 3.27Å; C156-L158 PolarHBondContact O-N 2.92Å; C156-G159 CarbonylContact O-C 3.56Å; C156-G159 WeakPolarHBondContact O-CA 3.23Å; C156-G159 PolarHBondContact O-N 3.41Å; C156-F160 HydrophobicContact CB-CD2 4.49Å; C156-F160 HydrophobicContact CB-CE2 4.4Å; C156-F160 WeakPolarHBondContact O-CD2 3.31Å; C156-F160 PolarHBondContact O-N 3.22Å; C156-C192 WeakPolarHBondContact SG-CB 3.47Å
157E69.5Low68.7Low119 Ų11946.2 Ų46.256%0.55624%0.237SC*.Hα-helixtrans-56.5-42.5177.4-73.3-173.9164.900111.6E153 T161E153-E157 WeakPolarHBondContact O-CG 3.33Å; E153-E157 PolarHBondContact O-N 3.18Å; E157-T161 WeakPolarHBondContact O-CB 3.27Å; E157-T161 PolarHBondContact O-N 3.02Å; E157-T161 PolarHBondContact O-OG1 3.34Å
158L74.9Confident68.1Low18 Ų1845.4 Ų45.49%0.09423%0.231CC..Hα-helixtrans-61.8-44.3173.1178.368000111.5V104 K105 V108 G154 C156 T161 L162 L188V104-L158 HydrophobicContact CB-CD1 4.3Å; V104-L158 HydrophobicContact CG1-CD1 3.88Å; V104-L158 HydrophobicContact CG1-CD2 3.53Å; V104-L158 HydrophobicContact CG1-CG 4.29Å; K105-L158 HydrophobicContact CB-CD1 4.39Å; V108-L158 HydrophobicContact CG2-CD2 4.34Å; G154-L158 WeakPolarHBondContact O-CB 3.39Å; G154-L158 PolarHBondContact O-N 3.01Å; C156-L158 VanDerWaalsContact C-N 3.27Å; C156-L158 PolarHBondContact O-N 2.92Å; L158-T161 PolarHBondContact O-N 3Å; L158-L162 HydrophobicContact CD1-CD1 4.39Å; L158-L162 HydrophobicContact CD1-CG 4.28Å; L158-L162 HydrophobicContact CG-CD1 4.19Å; L158-L162 HydrophobicContact CG-CG 4.45Å; L158-L162 WeakPolarHBondContact O-CB 3.46Å; L158-L162 VanDerWaalsContact O-CG 3.24Å; L158-L162 WeakPolarHBondContact O-CG 3.33Å; L158-L162 PolarHBondContact O-N 3.26Å; L158-L188 HydrophobicContact CD2-CD1 3.88Å; L158-L188 HydrophobicContact CG-CD1 4.04Å
159G69.7Low66.9Low0 Ų049.4 Ų49.40%025%0.246CC..Hα-helixtrans-55.7-53.9176.400000112L155 C156 L162 L163L155-G159 PolarHBondContact O-N 2.92Å; C156-G159 CarbonylContact O-C 3.56Å; C156-G159 WeakPolarHBondContact O-CA 3.23Å; C156-G159 PolarHBondContact O-N 3.41Å; G159-L162 PolarHBondContact O-N 3.45Å; G159-L163 WeakPolarHBondContact O-CG 3.2Å; G159-L163 PolarHBondContact O-N 2.98Å; G159-L163 VanDerWaalsContact O-N 3.07Å
160F67Low65.7Low52 Ų5247.9 Ų47.923%0.22824%0.241CC..Hα-helixtrans-61.5-45.9176.4-72.1-66.1000111.8C156 L162 L163 E164 I189 F193 Q217C156-F160 HydrophobicContact CB-CD2 4.49Å; C156-F160 HydrophobicContact CB-CE2 4.4Å; C156-F160 WeakPolarHBondContact O-CD2 3.31Å; C156-F160 PolarHBondContact O-N 3.22Å; F160-L162 VanDerWaalsContact C-N 3.27Å; F160-L162 PolarHBondContact O-N 2.89Å; F160-L163 PolarHBondContact O-N 3.38Å; F160-E164 WeakPolarHBondContact O-CG 3.32Å; F160-E164 PolarHBondContact O-N 2.96Å; F160-I189 HydrophobicContact CD1-CD1 3.55Å; F160-I189 HydrophobicContact CD1-CG1 4.45Å; F160-I189 HydrophobicContact CE1-CD1 3.67Å; F160-I189 HydrophobicContact CE1-CG1 4.44Å; F160-I189 HydrophobicContact CG-CD1 4Å; F160-I189 HydrophobicContact CZ-CD1 4.22Å; F160-I189 HydrophobicContact CZ-CG2 4.31Å; F160-F193 HydrophobicContact CZ-CE1 4.34Å; F160-F193 HydrophobicContact CZ-CZ 4.11Å; F160-Q217 HydrophobicContact CZ-CG 4.35Å
161T71.8Confident64.5Low49 Ų4946.4 Ų46.430%0.30125%0.246SC..Hα-helixtrans-57.1-40.6176.4-62.10000111.8K105 E157 L158 V165K105-T161 HydrophobicContact CD-CG2 3.97Å; E157-T161 WeakPolarHBondContact O-CB 3.27Å; E157-T161 PolarHBondContact O-N 3.02Å; E157-T161 PolarHBondContact O-OG1 3.34Å; L158-T161 PolarHBondContact O-N 3Å; T161-V165 HydrophobicContact CG2-CG2 4.14Å; T161-V165 VanDerWaalsContact O-CB 3.28Å; T161-V165 WeakPolarHBondContact O-CB 3.43Å; T161-V165 WeakPolarHBondContact O-CG2 3.36Å; T161-V165 PolarHBondContact O-N 2.71Å
162L71.7Confident63Low0 Ų048.4 Ų48.40%027%0.268CS..Hα-helixtrans-67.6-39.6177.3-72.7175.2000111.7K105 V108 L158 G159 F160 Y166 L181 L184 L188K105-L162 HydrophobicContact CG-CD2 4.44Å; V108-L162 HydrophobicContact CG1-CD1 4.25Å; V108-L162 HydrophobicContact CG1-CD2 4.45Å; L158-L162 HydrophobicContact CD1-CD1 4.39Å; L158-L162 HydrophobicContact CD1-CG 4.28Å; L158-L162 HydrophobicContact CG-CD1 4.19Å; L158-L162 HydrophobicContact CG-CG 4.45Å; L158-L162 WeakPolarHBondContact O-CB 3.46Å; L158-L162 VanDerWaalsContact O-CG 3.24Å; L158-L162 WeakPolarHBondContact O-CG 3.33Å; L158-L162 PolarHBondContact O-N 3.26Å; G159-L162 PolarHBondContact O-N 3.45Å; F160-L162 VanDerWaalsContact C-N 3.27Å; F160-L162 PolarHBondContact O-N 2.89Å; L162-Y166 HydrophobicContact CD2-CD2 3.85Å; L162-Y166 HydrophobicContact CD2-CE2 3.72Å; L162-Y166 WeakPolarHBondContact O-CB 3.31Å; L162-Y166 WeakPolarHBondContact O-CD2 3.17Å; L162-Y166 PolarHBondContact O-N 2.77Å; L162-L181 HydrophobicContact CD2-CD2 4.29Å; L162-L184 HydrophobicContact CD1-CD2 4.29Å; L162-L184 HydrophobicContact CD1-CG 4.29Å; L162-L188 HydrophobicContact CD1-CD1 3.77Å
163L68.2Low62.1Low8 Ų851.3 Ų51.34%0.04228%0.283CS..Hα-helixtrans-67.4-40.1176.1-69.1-165.2000112.9G159 F160 F182 K186 I189 L249G159-L163 WeakPolarHBondContact O-CG 3.2Å; G159-L163 PolarHBondContact O-N 2.98Å; G159-L163 VanDerWaalsContact O-N 3.07Å; F160-L163 PolarHBondContact O-N 3.38Å; L163-F182 HydrophobicContact CD2-CD2 3.54Å; L163-F182 HydrophobicContact CD2-CE2 3.5Å; L163-F182 VanDerWaalsContact CD2-CE2 3.5Å; L163-F182 HydrophobicContact CD2-CG 4.36Å; L163-F182 HydrophobicContact CD2-CZ 4.22Å; L163-K186 HydrophobicContact CD2-CB 4.35Å; L163-I189 HydrophobicContact CD1-CD1 3.25Å; L163-I189 HydrophobicContact CG-CD1 3.91Å; L163-L249 WeakPolarHBondContact CD1-O 3.08Å
164E68.7Low61.5Low150 Ų15052.8 Ų52.870%0.70128%0.284SS*.Hα-helixtrans-66.4-44.8177.2-73.4179.4176.600112.1F160F160-E164 WeakPolarHBondContact O-CG 3.32Å; F160-E164 PolarHBondContact O-N 2.96Å
165V72Confident61Low60 Ų6053.3 Ų53.336%0.36429%0.289SS..Hα-helixtrans-80.3-37.9-173.7173.70000111.9K105 T161 P167K105-V165 VanDerWaalsContact NZ-CG1 3.35Å; T161-V165 HydrophobicContact CG2-CG2 4.14Å; T161-V165 VanDerWaalsContact O-CB 3.28Å; T161-V165 WeakPolarHBondContact O-CB 3.43Å; T161-V165 WeakPolarHBondContact O-CG2 3.36Å; T161-V165 PolarHBondContact O-N 2.71Å; V165-P167 WeakPolarHBondContact O-CD 3.29Å
166Y69.1Low60.9Low42 Ų4253.6 Ų53.617%0.16529%0.293CS..SBendtrans-11367.2-178.5-54.1-75.8000108.8T109 L162 G168 Q178 L181 F182T109-Y166 PolarHBondContact OG1-OH 3.25Å; T109-Y166 VanDerWaalsContact OG1-OH 3.1Å; L162-Y166 HydrophobicContact CD2-CD2 3.85Å; L162-Y166 HydrophobicContact CD2-CE2 3.72Å; L162-Y166 WeakPolarHBondContact O-CB 3.31Å; L162-Y166 WeakPolarHBondContact O-CD2 3.17Å; L162-Y166 PolarHBondContact O-N 2.77Å; Y166-G168 PolarHBondContact O-N 2.74Å; Y166-G168 VanDerWaalsContact O-N 3.15Å; Y166-Q178 HydrophobicContact CD1-CG 4.09Å; Y166-L181 HydrophobicContact CD1-CD1 4.17Å; Y166-L181 HydrophobicContact CD2-CB 3.9Å; Y166-L181 HydrophobicContact CD2-CD1 4.18Å; Y166-L181 HydrophobicContact CE1-CD1 3.82Å; Y166-L181 HydrophobicContact CE2-CB 4.31Å; Y166-L181 HydrophobicContact CE2-CD1 3.84Å; Y166-L181 HydrophobicContact CG-CB 4.07Å; Y166-L181 HydrophobicContact CG-CD1 4.35Å; Y166-F182 WeakPolarHBondContact O-CB 3.47Å; Y166-F182 WeakPolarHBondContact O-CD2 3.45Å
167P57.6Low61.3Low53 Ų5355.4 Ų55.434%0.34430%0.301SS..  trans-54131.1173.825.9-32000106.3V165 T242V165-P167 WeakPolarHBondContact O-CD 3.29Å; P167-T242 HydrophobicContact CB-CG2 4.07Å
168G52Low61.4Low0 Ų052.3 Ų52.30%029%0.287CS..  trans-56.3152.6-166.200000109.8Y166 F182 T242 H247Y166-G168 PolarHBondContact O-N 2.74Å; Y166-G168 VanDerWaalsContact O-N 3.15Å; G168-F182 VanDerWaalsContact CA-CD2 3.48Å; G168-F182 VanDerWaalsContact CA-CG 3.43Å; G168-F182 VanDerWaalsContact N-CD2 3.28Å; G168-T242 PolarHBondContact O-OG1 3.39Å; G168-H247 WeakPolarHBondContact CA-ND1 3.4Å; G168-H247 PolarHBondContact O-CD2 3.26Å; G168-H247 PolarHBondContact O-CE1 3.19Å; G168-H247 VanDerWaalsContact O-CG 3.3Å; G168-H247 PolarHBondContact O-ND1 3.22Å; G168-H247 PolarHBondContact O-NE2 3.36Å
169R42.8Very low61.1Low92 Ų9252.9 Ų52.935%0.34729%0.288SS..  trans-117.7152.4176.8-59.9-171.1-177.5-162.7-6.3108.5L173 Q178 D244 H247R169-L173 HydrophobicContact CB-CB 4.49Å; R169-L173 HydrophobicContact CB-CD1 3.59Å; R169-L173 HydrophobicContact CG-CD1 4.42Å; R169-Q178 HydrophobicContact CG-CB 4.42Å; R169-Q178 VanDerWaalsContact NH1-CD 3.31Å; R169-Q178 VanDerWaalsContact NH2-NE2 3.14Å; R169-D244 HydrophobicContact CB-CB 3.89Å; R169-D244 VanDerWaalsContact CD-OD2 3.31Å; R169-D244 WeakPolarHBondContact CD-OD2 3.27Å; R169-D244 HydrophobicContact CG-CB 4.41Å; R169-D244 WeakPolarHBondContact CG-OD2 3.49Å; R169-D244 IonicContact NE-OD2 2.74Å; R169-H247 PolarHBondContact N-CE1 3.4Å; R169-H247 PolarHBondContact O-CE1 2.8Å
170S38.7Very low61.2Low20 Ų2054.9 Ų54.914%0.1430%0.297CS..  trans-21.2146.2-178.4-155.50000116A172 L173 D244S170-A172 PolarHBondContact O-N 3.19Å; S170-A172 WeakPolarHBondContact OG-CB 3.49Å; S170-A172 PolarHBondContact OG-N 2.9Å; S170-L173 PolarHBondContact O-N 2.93Å; S170-D244 WeakPolarHBondContact CA-O 3.37Å; S170-D244 WeakPolarHBondContact CB-O 3.39Å; S170-D244 PolarHBondContact N-O 3.29Å; S170-D244 PolarHBondContact OG-O 2.77Å
171V42.6Very low61.8Low104 Ų10452.4 Ų52.463%0.6329%0.287SS*.G310 helixtrans-49.2-28.2158.2-177.60000111.5L173 R174V171-L173 PolarHBondContact O-N 3.44Å; V171-R174 WeakPolarHBondContact O-CB 3.28Å; V171-R174 PolarHBondContact O-N 3.32Å
172A39.8Very low61.8Low91 Ų9150.5 Ų50.575%0.75227%0.274SS*.G310 helixtrans-64.6-17174.900000114.8S170S170-A172 PolarHBondContact O-N 3.19Å; S170-A172 WeakPolarHBondContact OG-CB 3.49Å; S170-A172 PolarHBondContact OG-N 2.9Å
173L48.6Very low61.7Low60 Ų6051.8 Ų51.831%0.31428%0.283SS..G310 helixtrans-10520.1179.5-80.2163.3000112.4R169 S170 V171 G175 S176R169-L173 HydrophobicContact CB-CB 4.49Å; R169-L173 HydrophobicContact CB-CD1 3.59Å; R169-L173 HydrophobicContact CG-CD1 4.42Å; S170-L173 PolarHBondContact O-N 2.93Å; V171-L173 PolarHBondContact O-N 3.44Å; L173-G175 PolarHBondContact O-N 3.04Å; L173-G175 VanDerWaalsContact O-N 3.12Å; L173-S176 WeakPolarHBondContact O-CB 3.45Å; L173-S176 PolarHBondContact O-N 2.87Å; L173-S176 PolarHBondContact O-OG 3.46Å
174R53.9Low62.1Low131 Ų13151.8 Ų51.849%0.49428%0.283SS..THydrogen-bonded Turntrans-55.9118.5172.1-168179.4-113.3-154.9-5.2109.1V171 Y179 T397V171-R174 WeakPolarHBondContact O-CB 3.28Å; V171-R174 PolarHBondContact O-N 3.32Å; R174-Y179 HydrophobicContact CG-CE1 4.26Å; R174-T397 PolarHBondContact NH2-O 2.95Å
175G61.7Low62.2Low44 Ų4444.6 Ų44.645%0.45425%0.25SC..THydrogen-bonded Turntrans96.24.4-171.800000115.1L116 L173L116-G175 WeakPolarHBondContact CD2-O 3.24Å; L173-G175 PolarHBondContact O-N 3.04Å; L173-G175 VanDerWaalsContact O-N 3.12Å
176S70Confident62.2Low22 Ų2243.6 Ų43.615%0.15424%0.24CC..SBendtrans-82.5158.7167.472.10000111.9L116 L173 Q178 Y179 E180L116-S176 VanDerWaalsContact CD1-C 3.42Å; L173-S176 WeakPolarHBondContact O-CB 3.45Å; L173-S176 PolarHBondContact O-N 2.87Å; L173-S176 PolarHBondContact O-OG 3.46Å; S176-Q178 VanDerWaalsContact C-N 3.32Å; S176-Q178 PolarHBondContact O-N 2.9Å; S176-Y179 PolarHBondContact O-N 3.44Å; S176-Y179 WeakPolarHBondContact OG-CB 3.21Å; S176-Y179 PolarHBondContact OG-N 2.87Å; S176-E180 WeakPolarHBondContact O-CG 3.41Å; S176-E180 PolarHBondContact O-N 3.18Å; S176-E180 VanDerWaalsContact O-N 3.11Å
177L77.7Confident62.4Low48 Ų4843.2 Ų43.225%0.25124%0.239SC..Hα-helixtrans-60.1-41.3177.1-179.357.5000112.3T109 A112 K113 L116 E180 L181T109-L177 HydrophobicContact CG2-CD2 4.2Å; A112-L177 HydrophobicContact CB-CD1 3.57Å; K113-L177 HydrophobicContact CB-CD1 3.95Å; K113-L177 HydrophobicContact CB-CD2 3.97Å; K113-L177 HydrophobicContact CD-CD2 4.37Å; K113-L177 HydrophobicContact CG-CD2 4.21Å; K113-L177 VanDerWaalsContact N-CD1 3.33Å; L116-L177 HydrophobicContact CD1-CB 3.83Å; L116-L177 HydrophobicContact CD1-CD1 4.23Å; L177-E180 PolarHBondContact O-N 3.39Å; L177-L181 HydrophobicContact CD1-CD1 3.86Å; L177-L181 HydrophobicContact CD1-CG 4.17Å; L177-L181 HydrophobicContact CG-CD1 3.86Å; L177-L181 WeakPolarHBondContact O-CB 3.49Å; L177-L181 VanDerWaalsContact O-CG 3.28Å; L177-L181 WeakPolarHBondContact O-CG 3.43Å; L177-L181 PolarHBondContact O-N 3.24Å
178Q70.4Confident63.2Low54 Ų5440.7 Ų40.725%0.25222%0.223SC..Hα-helixtrans-68-41.5-179.4-73.2142.3-10.300112.1Y166 R169 S176 L181 F182Y166-Q178 HydrophobicContact CD1-CG 4.09Å; R169-Q178 HydrophobicContact CG-CB 4.42Å; R169-Q178 VanDerWaalsContact NH1-CD 3.31Å; R169-Q178 VanDerWaalsContact NH2-NE2 3.14Å; S176-Q178 VanDerWaalsContact C-N 3.32Å; S176-Q178 PolarHBondContact O-N 2.9Å; Q178-L181 PolarHBondContact O-N 3.01Å; Q178-F182 VanDerWaalsContact O-CB 3.27Å; Q178-F182 WeakPolarHBondContact O-CB 3.38Å; Q178-F182 PolarHBondContact O-N 2.92Å
179Y68.2Low64.4Low31 Ų3140.7 Ų40.712%0.12222%0.223CC..Hα-helixtrans-63-43.4175.8-179.1-93.6000111.6R174 S176 L181 S183 D400R174-Y179 HydrophobicContact CG-CE1 4.26Å; S176-Y179 PolarHBondContact O-N 3.44Å; S176-Y179 WeakPolarHBondContact OG-CB 3.21Å; S176-Y179 PolarHBondContact OG-N 2.87Å; Y179-L181 VanDerWaalsContact C-N 3.35Å; Y179-L181 PolarHBondContact O-N 3.4Å; Y179-S183 WeakPolarHBondContact O-CB 3.29Å; Y179-S183 PolarHBondContact O-N 3.44Å; Y179-D400 PolarHBondContact OH-OD2 3.13Å
180E73.5Confident66Low41 Ų4136.9 Ų36.919%0.19221%0.21CC..Hα-helixtrans-62.7-40.6177.5-68.9-86.4-174.700111.6L116 K119 S176 L177 L184L116-E180 HydrophobicContact CD1-CG 4.2Å; L116-E180 HydrophobicContact CD2-CG 3.93Å; L116-E180 HydrophobicContact CG-CG 4.25Å; K119-E180 IonicContact NZ-OE1 2.8Å; K119-E180 PolarHBondContact NZ-OE1 3Å; S176-E180 WeakPolarHBondContact O-CG 3.41Å; S176-E180 PolarHBondContact O-N 3.18Å; S176-E180 VanDerWaalsContact O-N 3.11Å; L177-E180 PolarHBondContact O-N 3.39Å; E180-L184 WeakPolarHBondContact O-CB 3.42Å; E180-L184 PolarHBondContact O-N 3.1Å
181L78.3Confident67.8Low0 Ų037.5 Ų37.50%021%0.21CC..Hα-helixtrans-71.7-42.1178.6-70.2169.2000113.1V108 T109 A112 L162 Y166 L177 Q178 Y179 L184 G185V108-L181 HydrophobicContact CG1-CD2 3.67Å; T109-L181 HydrophobicContact CG2-CD1 3.95Å; A112-L181 HydrophobicContact CB-CD2 3.82Å; A112-L181 HydrophobicContact CB-CG 4.18Å; L162-L181 HydrophobicContact CD2-CD2 4.29Å; Y166-L181 HydrophobicContact CD1-CD1 4.17Å; Y166-L181 HydrophobicContact CD2-CB 3.9Å; Y166-L181 HydrophobicContact CD2-CD1 4.18Å; Y166-L181 HydrophobicContact CE1-CD1 3.82Å; Y166-L181 HydrophobicContact CE2-CB 4.31Å; Y166-L181 HydrophobicContact CE2-CD1 3.84Å; Y166-L181 HydrophobicContact CG-CB 4.07Å; Y166-L181 HydrophobicContact CG-CD1 4.35Å; L177-L181 HydrophobicContact CD1-CD1 3.86Å; L177-L181 HydrophobicContact CD1-CG 4.17Å; L177-L181 HydrophobicContact CG-CD1 3.86Å; L177-L181 WeakPolarHBondContact O-CB 3.49Å; L177-L181 VanDerWaalsContact O-CG 3.28Å; L177-L181 WeakPolarHBondContact O-CG 3.43Å; L177-L181 PolarHBondContact O-N 3.24Å; Q178-L181 PolarHBondContact O-N 3.01Å; Y179-L181 VanDerWaalsContact C-N 3.35Å; Y179-L181 PolarHBondContact O-N 3.4Å; L181-L184 WeakPolarHBondContact O-CB 3.42Å; L181-L184 PolarHBondContact O-N 2.92Å; L181-G185 PolarHBondContact O-N 2.86Å
182F71.5Confident69.4Low9 Ų932.6 Ų32.64%0.03918%0.18CC..Hα-helixtrans-62.1-46.3173.3176-100.1000111.3L163 Y166 G168 Q178 L184 G185 K186 H247 L248L163-F182 HydrophobicContact CD2-CD2 3.54Å; L163-F182 HydrophobicContact CD2-CE2 3.5Å; L163-F182 VanDerWaalsContact CD2-CE2 3.5Å; L163-F182 HydrophobicContact CD2-CG 4.36Å; L163-F182 HydrophobicContact CD2-CZ 4.22Å; Y166-F182 WeakPolarHBondContact O-CB 3.47Å; Y166-F182 WeakPolarHBondContact O-CD2 3.45Å; G168-F182 VanDerWaalsContact CA-CD2 3.48Å; G168-F182 VanDerWaalsContact CA-CG 3.43Å; G168-F182 VanDerWaalsContact N-CD2 3.28Å; Q178-F182 VanDerWaalsContact O-CB 3.27Å; Q178-F182 WeakPolarHBondContact O-CB 3.38Å; Q178-F182 PolarHBondContact O-N 2.92Å; F182-L184 PolarHBondContact O-N 3.29Å; F182-G185 PolarHBondContact O-N 3.32Å; F182-G185 VanDerWaalsContact O-N 3.11Å; F182-K186 PolarHBondContact O-N 3.44Å; F182-H247 HydrophobicContact CE1-CB 4.18Å; F182-H247 HydrophobicContact CE2-CB 4.06Å; F182-H247 HydrophobicContact CZ-CB 3.55Å; F182-L248 WeakPolarHBondContact CZ-O 3.36Å
183S71.4Confident71.5Confident27 Ų2728.5 Ų28.519%0.18915%0.145CC..Hα-helixtrans-62-34.2176.5-172.40000112.1R134 Y179 Y187R134-S183 PolarHBondContact NH2-OG 2.98Å; Y179-S183 WeakPolarHBondContact O-CB 3.29Å; Y179-S183 PolarHBondContact O-N 3.44Å; S183-Y187 VanDerWaalsContact O-CB 3.28Å; S183-Y187 WeakPolarHBondContact O-CB 3.46Å; S183-Y187 PolarHBondContact O-N 3.47Å
184L74.9Confident73.1Confident8 Ų829 Ų294%0.04215%0.145CC..Hα-helixtrans-69.5-41.6172.5-177.363.8000111.8V108 L133 R134 L162 E180 L181 F182 Y187 L188V108-L184 HydrophobicContact CG1-CD2 3.45Å; V108-L184 VanDerWaalsContact CG1-CD2 3.45Å; L133-L184 HydrophobicContact CB-CD2 4.26Å; L133-L184 HydrophobicContact CD1-CD2 3.91Å; R134-L184 HydrophobicContact CG-CD1 4.39Å; L162-L184 HydrophobicContact CD1-CD2 4.29Å; L162-L184 HydrophobicContact CD1-CG 4.29Å; E180-L184 WeakPolarHBondContact O-CB 3.42Å; E180-L184 PolarHBondContact O-N 3.1Å; L181-L184 WeakPolarHBondContact O-CB 3.42Å; L181-L184 PolarHBondContact O-N 2.92Å; F182-L184 PolarHBondContact O-N 3.29Å; L184-Y187 WeakPolarHBondContact O-CB 3.44Å; L184-Y187 PolarHBondContact O-N 3.01Å; L184-L188 HydrophobicContact CD1-CD1 4.49Å; L184-L188 HydrophobicContact CD1-CG 4.45Å; L184-L188 HydrophobicContact CG-CD1 4.02Å; L184-L188 HydrophobicContact CG-CG 4.45Å; L184-L188 WeakPolarHBondContact O-CB 3.35Å; L184-L188 WeakPolarHBondContact O-CG 3.22Å; L184-L188 PolarHBondContact O-N 3.49Å
185G71.6Confident74Confident0 Ų023 Ų230%012%0.124CC..Hα-helixtrans-58.2-49.7173.500000112.3L181 F182 Y187 L188 I189L181-G185 PolarHBondContact O-N 2.86Å; F182-G185 PolarHBondContact O-N 3.32Å; F182-G185 VanDerWaalsContact O-N 3.11Å; G185-Y187 VanDerWaalsContact C-N 3.29Å; G185-Y187 PolarHBondContact O-N 3.31Å; G185-L188 WeakPolarHBondContact O-CB 3.47Å; G185-L188 PolarHBondContact O-N 2.96Å; G185-I189 WeakPolarHBondContact O-CG1 3.41Å; G185-I189 PolarHBondContact O-N 2.9Å
186K71.1Confident74.7Confident38 Ų3821.2 Ų21.217%0.16510%0.104CC..Hα-helixtrans-58-42.9175.2174.8175.2167.2176.50111.5L163 F182 T190 L248 D400L163-K186 HydrophobicContact CD2-CB 4.35Å; F182-K186 PolarHBondContact O-N 3.44Å; K186-T190 WeakPolarHBondContact O-CB 3.47Å; K186-T190 PolarHBondContact O-N 2.87Å; K186-T190 PolarHBondContact O-OG1 3.39Å; K186-L248 HydrophobicContact CD-CD2 4.23Å; K186-D400 PolarHBondContact NZ-O 3.01Å; K186-D400 IonicContact NZ-OD1 3.25Å; K186-D400 PolarHBondContact NZ-OD1 3.41Å
187Y73.3Confident75.2Confident35 Ų3520.3 Ų20.314%0.13710%0.098CC..Hα-helixtrans-63.7-47.8177-177.1-103.6000112R134 V137 D138 S183 L184 G185 I189 T190 E191R134-Y187 HydrophobicContact CB-CE1 4.36Å; R134-Y187 HydrophobicContact CG-CD1 4.29Å; R134-Y187 HydrophobicContact CG-CE1 4.27Å; R134-Y187 VanDerWaalsContact NH1-CG 3.29Å; V137-Y187 HydrophobicContact CG1-CD1 4.39Å; V137-Y187 HydrophobicContact CG1-CE1 4.16Å; D138-Y187 VanDerWaalsContact CG-OH 3.27Å; D138-Y187 WeakPolarHBondContact OD1-CE1 3.43Å; D138-Y187 VanDerWaalsContact OD1-CZ 3.29Å; D138-Y187 PolarHBondContact OD1-OH 3.04Å; D138-Y187 PolarHBondContact OD2-OH 2.9Å; S183-Y187 VanDerWaalsContact O-CB 3.28Å; S183-Y187 WeakPolarHBondContact O-CB 3.46Å; S183-Y187 PolarHBondContact O-N 3.47Å; L184-Y187 WeakPolarHBondContact O-CB 3.44Å; L184-Y187 PolarHBondContact O-N 3.01Å; G185-Y187 VanDerWaalsContact C-N 3.29Å; G185-Y187 PolarHBondContact O-N 3.31Å; Y187-I189 PolarHBondContact O-N 3.16Å; Y187-T190 PolarHBondContact O-N 3.29Å; Y187-E191 HydrophobicContact CD1-CG 4.33Å; Y187-E191 HydrophobicContact CD2-CG 3.88Å; Y187-E191 HydrophobicContact CE1-CG 3.98Å; Y187-E191 HydrophobicContact CE2-CG 3.52Å; Y187-E191 HydrophobicContact CG-CG 4.3Å; Y187-E191 WeakPolarHBondContact O-CB 3.23Å; Y187-E191 WeakPolarHBondContact O-CG 3.38Å; Y187-E191 PolarHBondContact O-N 2.95Å
188L74.6Confident75.2Confident0 Ų021.7 Ų21.70%010%0.102CC..Hα-helixtrans-55-52.5177.7-82.6163.3000110.3V137 L155 L158 L162 L184 G185 T190 E191 C192V137-L188 HydrophobicContact CB-CD2 4.26Å; V137-L188 HydrophobicContact CG1-CD2 3.48Å; V137-L188 VanDerWaalsContact CG1-CD2 3.48Å; V137-L188 HydrophobicContact CG1-CG 4.4Å; V137-L188 HydrophobicContact CG2-CD2 3.7Å; V137-L188 HydrophobicContact CG2-CG 4.47Å; L155-L188 HydrophobicContact CB-CD2 4.31Å; L155-L188 HydrophobicContact CD2-CD2 3.91Å; L158-L188 HydrophobicContact CD2-CD1 3.88Å; L158-L188 HydrophobicContact CG-CD1 4.04Å; L162-L188 HydrophobicContact CD1-CD1 3.77Å; L184-L188 HydrophobicContact CD1-CD1 4.49Å; L184-L188 HydrophobicContact CD1-CG 4.45Å; L184-L188 HydrophobicContact CG-CD1 4.02Å; L184-L188 HydrophobicContact CG-CG 4.45Å; L184-L188 WeakPolarHBondContact O-CB 3.35Å; L184-L188 WeakPolarHBondContact O-CG 3.22Å; L184-L188 PolarHBondContact O-N 3.49Å; G185-L188 WeakPolarHBondContact O-CB 3.47Å; G185-L188 PolarHBondContact O-N 2.96Å; L188-T190 PolarHBondContact O-N 2.84Å; L188-E191 PolarHBondContact O-N 3.13Å; L188-C192 WeakPolarHBondContact O-CA 3.44Å; L188-C192 WeakPolarHBondContact O-CB 3.31Å; L188-C192 PolarHBondContact O-N 3.38Å; L188-C192 PolarHBondContact O-SG 3.33Å
189I77.6Confident75.2Confident0 Ų019.3 Ų19.30%09%0.092CC..Hα-helixtrans-62.1-47.9-179.2-63.2175.9000111.4F160 L163 G185 Y187 E191 C192 F193 P251F160-I189 HydrophobicContact CD1-CD1 3.55Å; F160-I189 HydrophobicContact CD1-CG1 4.45Å; F160-I189 HydrophobicContact CE1-CD1 3.67Å; F160-I189 HydrophobicContact CE1-CG1 4.44Å; F160-I189 HydrophobicContact CG-CD1 4Å; F160-I189 HydrophobicContact CZ-CD1 4.22Å; F160-I189 HydrophobicContact CZ-CG2 4.31Å; L163-I189 HydrophobicContact CD1-CD1 3.25Å; L163-I189 HydrophobicContact CG-CD1 3.91Å; G185-I189 WeakPolarHBondContact O-CG1 3.41Å; G185-I189 PolarHBondContact O-N 2.9Å; Y187-I189 PolarHBondContact O-N 3.16Å; I189-E191 PolarHBondContact O-N 3.13Å; I189-C192 PolarHBondContact O-N 3.34Å; I189-F193 HydrophobicContact CG2-CD1 4.49Å; I189-F193 HydrophobicContact CG2-CD2 4.06Å; I189-F193 HydrophobicContact CG2-CE1 3.96Å; I189-F193 HydrophobicContact CG2-CE2 3.46Å; I189-F193 VanDerWaalsContact CG2-CE2 3.46Å; I189-F193 HydrophobicContact CG2-CZ 3.4Å; I189-F193 WeakPolarHBondContact O-CG 3.37Å; I189-F193 PolarHBondContact O-N 3.33Å; I189-P251 HydrophobicContact CG2-CG 4.27Å
190T76.3Confident75.6Confident12 Ų1217.9 Ų17.97%0.0749%0.087CC..Hα-helixtrans-58.8-47.9-179.3-55.80000111.7K186 Y187 L188 K194 T254K186-T190 WeakPolarHBondContact O-CB 3.47Å; K186-T190 PolarHBondContact O-N 2.87Å; K186-T190 PolarHBondContact O-OG1 3.39Å; Y187-T190 PolarHBondContact O-N 3.29Å; L188-T190 PolarHBondContact O-N 2.84Å; T190-K194 WeakPolarHBondContact O-CG 3.43Å; T190-K194 PolarHBondContact O-N 2.82Å; T190-T254 HydrophobicContact CG2-CG2 4.05Å
191E77.6Confident75.8Confident33 Ų3317.1 Ų17.115%0.1549%0.086CC..Hα-helixtrans-79.5-25.5-178.1-60-52.3136.700112.1I141 Y187 L188 I189 K194 G195 R404I141-E191 HydrophobicContact CD1-CB 3.64Å; Y187-E191 HydrophobicContact CD1-CG 4.33Å; Y187-E191 HydrophobicContact CD2-CG 3.88Å; Y187-E191 HydrophobicContact CE1-CG 3.98Å; Y187-E191 HydrophobicContact CE2-CG 3.52Å; Y187-E191 HydrophobicContact CG-CG 4.3Å; Y187-E191 WeakPolarHBondContact O-CB 3.23Å; Y187-E191 WeakPolarHBondContact O-CG 3.38Å; Y187-E191 PolarHBondContact O-N 2.95Å; L188-E191 PolarHBondContact O-N 3.13Å; I189-E191 PolarHBondContact O-N 3.13Å; E191-K194 IonicContact OE1-NZ 3.67Å; E191-K194 PolarHBondContact OE1-NZ 2.87Å; E191-K194 IonicContact OE2-NZ 3.05Å; E191-K194 PolarHBondContact OE2-NZ 3.15Å; E191-G195 WeakPolarHBondContact O-CA 3.4Å; E191-G195 PolarHBondContact O-N 3.34Å; E191-R404 IonicContact OE1-CZ 3.97Å; E191-R404 IonicContact OE1-NH1 3Å; E191-R404 PolarHBondContact OE1-NH1 3.39Å
192C76.1Confident75.5Confident0 Ų020 Ų200%010%0.101CC..Hα-helixtrans-70.3-41.7172.2-71.40000111.8I152 L155 C156 L188 I189 K194 G195 L196I152-C192 HydrophobicContact CG2-CB 4.03Å; L155-C192 VanDerWaalsContact CB-SG 3.52Å; C156-C192 WeakPolarHBondContact SG-CB 3.47Å; L188-C192 WeakPolarHBondContact O-CA 3.44Å; L188-C192 WeakPolarHBondContact O-CB 3.31Å; L188-C192 PolarHBondContact O-N 3.38Å; L188-C192 PolarHBondContact O-SG 3.33Å; I189-C192 PolarHBondContact O-N 3.34Å; C192-K194 VanDerWaalsContact C-N 3.32Å; C192-K194 PolarHBondContact O-N 3.14Å; C192-G195 CarbonylContact O-C 3.36Å; C192-G195 PolarHBondContact O-N 3.08Å; C192-L196 VanDerWaalsContact O-CB 3.25Å; C192-L196 WeakPolarHBondContact O-CB 3.13Å; C192-L196 VanDerWaalsContact O-CG 3.3Å; C192-L196 WeakPolarHBondContact O-CG 3.44Å; C192-L196 PolarHBondContact O-N 2.78Å
193F84.1Confident75.4Confident5 Ų522.6 Ų22.62%0.02211%0.113CC..Hα-helixtrans-59.5-44.7174.5-67.6-19.8000112F160 I189 A197 L214 Q217 E250 P251 T254 L255 A258F160-F193 HydrophobicContact CZ-CE1 4.34Å; F160-F193 HydrophobicContact CZ-CZ 4.11Å; I189-F193 HydrophobicContact CG2-CD1 4.49Å; I189-F193 HydrophobicContact CG2-CD2 4.06Å; I189-F193 HydrophobicContact CG2-CE1 3.96Å; I189-F193 HydrophobicContact CG2-CE2 3.46Å; I189-F193 VanDerWaalsContact CG2-CE2 3.46Å; I189-F193 HydrophobicContact CG2-CZ 3.4Å; I189-F193 WeakPolarHBondContact O-CG 3.37Å; I189-F193 PolarHBondContact O-N 3.33Å; F193-A197 WeakPolarHBondContact O-CB 3.27Å; F193-A197 PolarHBondContact O-N 2.93Å; F193-L214 HydrophobicContact CB-CD2 4.43Å; F193-L214 HydrophobicContact CD1-CD2 3.47Å; F193-L214 VanDerWaalsContact CD1-CD2 3.47Å; F193-L214 HydrophobicContact CE1-CD2 3.95Å; F193-L214 HydrophobicContact CG-CD2 4.12Å; F193-Q217 HydrophobicContact CZ-CG 4.16Å; F193-E250 WeakPolarHBondContact CE2-OE1 3.41Å; F193-E250 WeakPolarHBondContact CZ-OE1 3.47Å; F193-P251 HydrophobicContact CD2-CG 4.49Å; F193-P251 HydrophobicContact CE2-CG 4.31Å; F193-T254 HydrophobicContact CB-CG2 4.36Å; F193-L255 HydrophobicContact CD1-CD1 4.42Å; F193-L255 HydrophobicContact CD2-CB 3.94Å; F193-L255 HydrophobicContact CD2-CD1 4.12Å; F193-L255 HydrophobicContact CE1-CD1 4.22Å; F193-L255 HydrophobicContact CE2-CB 3.78Å; F193-L255 HydrophobicContact CE2-CD1 3.9Å; F193-L255 HydrophobicContact CE2-CG 4.28Å; F193-L255 HydrophobicContact CG-CD1 4.37Å; F193-L255 HydrophobicContact CZ-CD1 3.96Å; F193-A258 HydrophobicContact CB-CB 4.13Å
194K81Confident75.6Confident72 Ų7224.1 Ų24.131%0.31312%0.122SC..Hα-helixtrans-63.6-43.3174.1-65.8173.8-174.31720112.1T190 E191 C192 A197 K198 T254T190-K194 WeakPolarHBondContact O-CG 3.43Å; T190-K194 PolarHBondContact O-N 2.82Å; E191-K194 IonicContact OE1-NZ 3.67Å; E191-K194 PolarHBondContact OE1-NZ 2.87Å; E191-K194 IonicContact OE2-NZ 3.05Å; E191-K194 PolarHBondContact OE2-NZ 3.15Å; C192-K194 VanDerWaalsContact C-N 3.32Å; C192-K194 PolarHBondContact O-N 3.14Å; K194-A197 PolarHBondContact O-N 3.5Å; K194-K198 VanDerWaalsContact O-CB 3.29Å; K194-K198 WeakPolarHBondContact O-CB 3.1Å; K194-K198 PolarHBondContact O-N 3.4Å; K194-T254 HydrophobicContact CG-CG2 3.97Å
195G73.4Confident75.5Confident5 Ų526.8 Ų26.85%0.05215%0.146CC..Hα-helixtrans-60.7-53.2177.800000111.3W148 E191 C192 A197 K198 A199W148-G195 VanDerWaalsContact CZ2-O 3.31Å; W148-G195 WeakPolarHBondContact CZ2-O 3.23Å; E191-G195 WeakPolarHBondContact O-CA 3.4Å; E191-G195 PolarHBondContact O-N 3.34Å; C192-G195 CarbonylContact O-C 3.36Å; C192-G195 PolarHBondContact O-N 3.08Å; G195-A197 VanDerWaalsContact C-N 3.33Å; G195-A197 PolarHBondContact O-N 2.97Å; G195-K198 WeakPolarHBondContact O-CB 3.48Å; G195-K198 PolarHBondContact O-N 3.3Å; G195-K198 VanDerWaalsContact O-N 3.15Å; G195-A199 WeakPolarHBondContact O-CB 3.5Å; G195-A199 PolarHBondContact O-N 2.86Å
196L75.5Confident75.4Confident5 Ų527.9 Ų27.93%0.02615%0.151CC..Hα-helixtrans-50.6-53.3174.7-80.8-179.8000110.7I152 C192 K198 A199 A200 V210 L213 L214I152-L196 HydrophobicContact CB-CD2 3.72Å; I152-L196 HydrophobicContact CB-CG 4.34Å; I152-L196 HydrophobicContact CG2-CB 4.48Å; I152-L196 HydrophobicContact CG2-CD1 4.18Å; I152-L196 HydrophobicContact CG2-CD2 3.26Å; I152-L196 HydrophobicContact CG2-CG 3.34Å; C192-L196 VanDerWaalsContact O-CB 3.25Å; C192-L196 WeakPolarHBondContact O-CB 3.13Å; C192-L196 VanDerWaalsContact O-CG 3.3Å; C192-L196 WeakPolarHBondContact O-CG 3.44Å; C192-L196 PolarHBondContact O-N 2.78Å; L196-K198 VanDerWaalsContact C-N 3.35Å; L196-K198 PolarHBondContact O-N 3.43Å; L196-A199 PolarHBondContact O-N 3.43Å; L196-A200 VanDerWaalsContact O-CB 3.29Å; L196-A200 WeakPolarHBondContact O-CB 3.17Å; L196-A200 PolarHBondContact O-N 2.93Å; L196-V210 HydrophobicContact CB-CG1 3.76Å; L196-V210 HydrophobicContact CD2-CG1 4.36Å; L196-V210 HydrophobicContact CD2-CG2 4.13Å; L196-V210 HydrophobicContact CG-CG1 4.44Å; L196-L213 HydrophobicContact CD1-CD2 4.05Å; L196-L214 HydrophobicContact CD1-CD2 3.95Å; L196-L214 HydrophobicContact CD1-CG 4.5Å
197A81.8Confident75.8Confident4 Ų428.5 Ų28.53%0.03315%0.153CC..Hα-helixtrans-61.4-42.8179.500000112.5F193 K194 G195 S201 A258 L262F193-A197 WeakPolarHBondContact O-CB 3.27Å; F193-A197 PolarHBondContact O-N 2.93Å; K194-A197 PolarHBondContact O-N 3.5Å; G195-A197 VanDerWaalsContact C-N 3.33Å; G195-A197 PolarHBondContact O-N 2.97Å; A197-S201 WeakPolarHBondContact O-CB 3.46Å; A197-S201 PolarHBondContact O-N 3.21Å; A197-S201 PolarHBondContact O-OG 2.88Å; A197-A258 HydrophobicContact CB-CB 3.93Å; A197-L262 HydrophobicContact CB-CD1 4.35Å; A197-L262 HydrophobicContact CB-CD2 4.38Å; A197-L262 HydrophobicContact CB-CG 4.12Å; A197-L262 WeakPolarHBondContact O-CD2 3.32Å
198K77.8Confident76.2Confident76 Ų7630.5 Ų30.533%0.3316%0.163SC..Hα-helixtrans-60.2-49.9175.9-178.6-172.2171.6-154.50111.1E144 K194 G195 L196 S201 D202E144-K198 IonicContact OE1-NZ 3.45Å; E144-K198 PolarHBondContact OE1-NZ 3.18Å; K194-K198 VanDerWaalsContact O-CB 3.29Å; K194-K198 WeakPolarHBondContact O-CB 3.1Å; K194-K198 PolarHBondContact O-N 3.4Å; G195-K198 WeakPolarHBondContact O-CB 3.48Å; G195-K198 PolarHBondContact O-N 3.3Å; G195-K198 VanDerWaalsContact O-N 3.15Å; L196-K198 VanDerWaalsContact C-N 3.35Å; L196-K198 PolarHBondContact O-N 3.43Å; K198-S201 CarbonylContact O-C 3.29Å; K198-S201 WeakPolarHBondContact O-CA 3.34Å; K198-S201 VanDerWaalsContact O-CB 3.23Å; K198-S201 WeakPolarHBondContact O-CB 3.3Å; K198-S201 PolarHBondContact O-N 3.27Å; K198-S201 VanDerWaalsContact O-N 3.1Å; K198-D202 VanDerWaalsContact O-CG 3.25Å; K198-D202 PolarHBondContact O-N 2.86Å
199A68.8Low76.3Confident5 Ų534.3 Ų34.34%0.04119%0.188CC..Hα-helixtrans-72.8-34.9-176.500000113.6W148 G195 L196 S201 D202 H203 I206W148-A199 VanDerWaalsContact CD1-CB 3.46Å; W148-A199 HydrophobicContact CD2-CB 4.01Å; W148-A199 HydrophobicContact CG-CB 4.15Å; W148-A199 HydrophobicContact CH2-CB 4.5Å; W148-A199 HydrophobicContact CZ2-CB 3.38Å; G195-A199 WeakPolarHBondContact O-CB 3.5Å; G195-A199 PolarHBondContact O-N 2.86Å; L196-A199 PolarHBondContact O-N 3.43Å; A199-S201 PolarHBondContact O-N 3.27Å; A199-D202 CarbonylContact O-C 3.49Å; A199-D202 PolarHBondContact O-N 3.25Å; A199-D202 VanDerWaalsContact O-N 3.16Å; A199-H203 WeakPolarHBondContact O-CA 3.25Å; A199-H203 VanDerWaalsContact O-CB 3.31Å; A199-H203 WeakPolarHBondContact O-CB 3.41Å; A199-H203 PolarHBondContact O-CD2 3.25Å; A199-H203 PolarHBondContact O-N 3.46Å; A199-I206 HydrophobicContact CB-CD1 4.39Å
200A77.1Confident76.4Confident1 Ų134.7 Ų34.71%0.00819%0.19CC..Hα-helixtrans-64.2-27168.500000112.4L196 I206 R207 V210 L262L196-A200 VanDerWaalsContact O-CB 3.29Å; L196-A200 WeakPolarHBondContact O-CB 3.17Å; L196-A200 PolarHBondContact O-N 2.93Å; A200-I206 HydrophobicContact CB-CG1 4.37Å; A200-R207 HydrophobicContact CB-CB 4.32Å; A200-R207 HydrophobicContact CB-CG 4.47Å; A200-V210 HydrophobicContact CB-CB 3.89Å; A200-V210 HydrophobicContact CB-CG1 3.92Å; A200-V210 HydrophobicContact CB-CG2 4.14Å; A200-L262 HydrophobicContact CB-CD1 4.38Å; A200-L262 HydrophobicContact CB-CD2 3.53Å
201S77.6Confident77Confident25 Ų2534.1 Ų34.118%0.17519%0.187CC..Hα-helixtrans-74.8-31.9171.5-61.10000113A197 K198 A199 R266A197-S201 WeakPolarHBondContact O-CB 3.46Å; A197-S201 PolarHBondContact O-N 3.21Å; A197-S201 PolarHBondContact O-OG 2.88Å; K198-S201 CarbonylContact O-C 3.29Å; K198-S201 WeakPolarHBondContact O-CA 3.34Å; K198-S201 VanDerWaalsContact O-CB 3.23Å; K198-S201 WeakPolarHBondContact O-CB 3.3Å; K198-S201 PolarHBondContact O-N 3.27Å; K198-S201 VanDerWaalsContact O-N 3.1Å; A199-S201 PolarHBondContact O-N 3.27Å; S201-R266 PolarHBondContact O-NH2 3.29Å
202D71.7Confident77.3Confident59 Ų5934.1 Ų34.132%0.31619%0.188SC..Hα-helixtrans-88-23.7180-61.1-18.8000111.7K198 A199 R461K198-D202 VanDerWaalsContact O-CG 3.25Å; K198-D202 PolarHBondContact O-N 2.86Å; A199-D202 CarbonylContact O-C 3.49Å; A199-D202 PolarHBondContact O-N 3.25Å; A199-D202 VanDerWaalsContact O-N 3.16Å; D202-R461 VanDerWaalsContact CG-NH2 3.28Å; D202-R461 IonicContact OD1-CZ 3.66Å; D202-R461 IonicContact OD1-NH1 2.91Å; D202-R461 IonicContact OD1-NH2 3.36Å; D202-R461 PolarHBondContact OD1-NH2 3.49Å; D202-R461 IonicContact OD2-NH2 3.68Å; D202-R461 PolarHBondContact OD2-NH2 2.98Å
203H70.6Confident77.6Confident64 Ų6438 Ų3830%0.29621%0.208SC..  trans-128.991.9-178-56.7-72.5000110.7A199 A205 I206A199-H203 WeakPolarHBondContact O-CA 3.25Å; A199-H203 VanDerWaalsContact O-CB 3.31Å; A199-H203 WeakPolarHBondContact O-CB 3.41Å; A199-H203 PolarHBondContact O-CD2 3.25Å; A199-H203 PolarHBondContact O-N 3.46Å; H203-A205 PolarHBondContact O-N 2.9Å; H203-I206 HydrophobicContact CB-CD1 4.41Å; H203-I206 HydrophobicContact CB-CG1 4.14Å; H203-I206 WeakPolarHBondContact O-CG1 3.41Å; H203-I206 PolarHBondContact O-N 3.18Å
204P75.5Confident77.7Confident59 Ų5937.9 Ų37.938%0.38321%0.208SC..G310 helixtrans-55.1-29-176.1-28.435.4000114.8I206 R207P204-I206 VanDerWaalsContact C-N 3.26Å; P204-I206 PolarHBondContact O-N 3.02Å; P204-R207 VanDerWaalsContact O-CB 3.24Å; P204-R207 WeakPolarHBondContact O-CB 3.37Å; P204-R207 PolarHBondContact O-N 3.31Å; P204-R207 VanDerWaalsContact O-N 3.09Å
205A71.6Confident78.1Confident65 Ų6534.6 Ų34.654%0.53719%0.193SC..G310 helixtrans-63.7-25.3-176.900000114.9H203 Q277H203-A205 PolarHBondContact O-N 2.9Å; A205-Q277 VanDerWaalsContact CA-OE1 3.26Å
206I70.5Confident78.7Confident22 Ų2241.1 Ų41.111%0.11322%0.216CC..G310 helixtrans-102.40.3177.364.7169.2000112.3E149 A199 A200 H203 P204 E208 P209 V210E149-I206 HydrophobicContact CB-CD1 4.31Å; E149-I206 HydrophobicContact CB-CG2 4.31Å; E149-I206 HydrophobicContact CG-CG2 4.33Å; A199-I206 HydrophobicContact CB-CD1 4.39Å; A200-I206 HydrophobicContact CB-CG1 4.37Å; H203-I206 HydrophobicContact CB-CD1 4.41Å; H203-I206 HydrophobicContact CB-CG1 4.14Å; H203-I206 WeakPolarHBondContact O-CG1 3.41Å; H203-I206 PolarHBondContact O-N 3.18Å; P204-I206 VanDerWaalsContact C-N 3.26Å; P204-I206 PolarHBondContact O-N 3.02Å; I206-E208 PolarHBondContact O-N 3.33Å; I206-P209 WeakPolarHBondContact O-CD 3.43Å; I206-V210 HydrophobicContact CB-CG2 4.37Å; I206-V210 HydrophobicContact CD1-CG2 4.35Å; I206-V210 HydrophobicContact CG1-CG2 4.39Å; I206-V210 WeakPolarHBondContact O-CB 2.97Å; I206-V210 WeakPolarHBondContact O-CG2 3.5Å; I206-V210 PolarHBondContact O-N 3.4Å
207R80.1Confident79.1Confident52 Ų5242.4 Ų42.420%0.19622%0.222CC..Hα-helixtrans-60.4-45.3-174.2-172.3177.2177.11741.8112.4A200 P204 L211 L262 K264 V279A200-R207 HydrophobicContact CB-CB 4.32Å; A200-R207 HydrophobicContact CB-CG 4.47Å; P204-R207 VanDerWaalsContact O-CB 3.24Å; P204-R207 WeakPolarHBondContact O-CB 3.37Å; P204-R207 PolarHBondContact O-N 3.31Å; P204-R207 VanDerWaalsContact O-N 3.09Å; R207-L211 VanDerWaalsContact O-CB 3.23Å; R207-L211 WeakPolarHBondContact O-CB 3.48Å; R207-L211 PolarHBondContact O-N 2.63Å; R207-L262 HydrophobicContact CG-CD2 4.35Å; R207-L262 VanDerWaalsContact CZ-O 3.25Å; R207-L262 PolarHBondContact NE-O 3.1Å; R207-L262 PolarHBondContact NH2-O 3.5Å; R207-K264 PolarHBondContact NH2-O 3.04Å; R207-V279 HydrophobicContact CB-CG2 4.07Å; R207-V279 HydrophobicContact CG-CG2 3.63Å
208E81.9Confident79.5Confident77 Ų7742.2 Ų42.236%0.3622%0.221SC..Hα-helixtrans-66.3-52.5179178.2-179.114700112.7I206 V210 L211 D212 V279 D280 L283I206-E208 PolarHBondContact O-N 3.33Å; E208-V210 VanDerWaalsContact C-N 3.29Å; E208-V210 PolarHBondContact O-N 3.25Å; E208-L211 PolarHBondContact O-N 3.34Å; E208-D212 WeakPolarHBondContact O-CB 3.05Å; E208-D212 PolarHBondContact O-N 3.09Å; E208-V279 HydrophobicContact CB-CB 4.45Å; E208-V279 HydrophobicContact CB-CG1 3.96Å; E208-V279 HydrophobicContact CB-CG2 4.44Å; E208-V279 HydrophobicContact CG-CG1 4.11Å; E208-D280 PolarHBondContact OE2-N 3.39Å; E208-L283 HydrophobicContact CG-CD2 3.7Å
209P76.7Confident79.9Confident80 Ų8042 Ų4252%0.51922%0.221SC..Hα-helixtrans-55.1-41.5174.6-27.432.2000113.9I206 L213I206-P209 WeakPolarHBondContact O-CD 3.43Å; P209-L213 VanDerWaalsContact O-CB 3.31Å; P209-L213 WeakPolarHBondContact O-CB 3.12Å; P209-L213 PolarHBondContact O-N 2.96Å
210V79.5Confident80.6Confident7 Ų747.7 Ų47.74%0.04225%0.247CC..Hα-helixtrans-68.8-42.4179.1171.90000111.2L196 A200 I206 E208 L213 L214 L262L196-V210 HydrophobicContact CB-CG1 3.76Å; L196-V210 HydrophobicContact CD2-CG1 4.36Å; L196-V210 HydrophobicContact CD2-CG2 4.13Å; L196-V210 HydrophobicContact CG-CG1 4.44Å; A200-V210 HydrophobicContact CB-CB 3.89Å; A200-V210 HydrophobicContact CB-CG1 3.92Å; A200-V210 HydrophobicContact CB-CG2 4.14Å; I206-V210 HydrophobicContact CB-CG2 4.37Å; I206-V210 HydrophobicContact CD1-CG2 4.35Å; I206-V210 HydrophobicContact CG1-CG2 4.39Å; I206-V210 WeakPolarHBondContact O-CB 2.97Å; I206-V210 WeakPolarHBondContact O-CG2 3.5Å; I206-V210 PolarHBondContact O-N 3.4Å; E208-V210 VanDerWaalsContact C-N 3.29Å; E208-V210 PolarHBondContact O-N 3.25Å; V210-L213 PolarHBondContact O-N 3.07Å; V210-L214 HydrophobicContact CG1-CD1 3.98Å; V210-L214 HydrophobicContact CG1-CG 4.36Å; V210-L214 WeakPolarHBondContact O-CG 3.47Å; V210-L214 PolarHBondContact O-N 2.98Å; V210-L262 HydrophobicContact CG1-CD1 3.78Å
211L87.7Confident81.1Confident0 Ų048.7 Ų48.70%025%0.25CS..Hα-helixtrans-61.9-46.3177-179.463.8000111.4R207 E208 L214 F215 I259 L262 V263 V279 L283 L284 V287R207-L211 VanDerWaalsContact O-CB 3.23Å; R207-L211 WeakPolarHBondContact O-CB 3.48Å; R207-L211 PolarHBondContact O-N 2.63Å; E208-L211 PolarHBondContact O-N 3.34Å; L211-L214 PolarHBondContact O-N 3.07Å; L211-F215 VanDerWaalsContact O-CB 3.27Å; L211-F215 WeakPolarHBondContact O-CB 3.46Å; L211-F215 PolarHBondContact O-N 3.24Å; L211-I259 HydrophobicContact CD1-CG2 3.92Å; L211-L262 HydrophobicContact CB-CD1 4.45Å; L211-L262 HydrophobicContact CD1-CB 3.99Å; L211-L262 HydrophobicContact CD1-CD1 4.44Å; L211-V263 HydrophobicContact CD1-CG2 3.8Å; L211-V263 HydrophobicContact CD2-CG2 4.3Å; L211-V279 HydrophobicContact CD2-CG1 3.92Å; L211-L283 HydrophobicContact CB-CD2 4.34Å; L211-L283 HydrophobicContact CD2-CD2 4.13Å; L211-L283 HydrophobicContact CD2-CG 4.29Å; L211-L283 HydrophobicContact CG-CD2 4.29Å; L211-L284 HydrophobicContact CD2-CD2 3.8Å; L211-V287 HydrophobicContact CD1-CG1 4.27Å; L211-V287 HydrophobicContact CD1-CG2 4.31Å; L211-V287 HydrophobicContact CD2-CG2 4.24Å; L211-V287 HydrophobicContact CG-CG2 4.12Å
212D83.9Confident81.5Confident34 Ų3449.4 Ų49.418%0.18225%0.252CS..Hα-helixtrans-61-43.9177-17942000111.4E208 F215 R216 L283E208-D212 WeakPolarHBondContact O-CB 3.05Å; E208-D212 PolarHBondContact O-N 3.09Å; D212-F215 PolarHBondContact O-N 3.22Å; D212-R216 VanDerWaalsContact CG-CZ 3.44Å; D212-R216 VanDerWaalsContact CG-NH2 3.29Å; D212-R216 WeakPolarHBondContact O-CB 3.31Å; D212-R216 VanDerWaalsContact O-CG 3.31Å; D212-R216 WeakPolarHBondContact O-CG 2.94Å; D212-R216 PolarHBondContact O-N 3.49Å; D212-R216 IonicContact OD1-CZ 2.97Å; D212-R216 IonicContact OD1-NE 3.45Å; D212-R216 PolarHBondContact OD1-NE 3.36Å; D212-R216 IonicContact OD1-NH2 2.89Å; D212-R216 PolarHBondContact OD1-NH2 2.57Å; D212-R216 IonicContact OD2-CZ 3.96Å; D212-R216 IonicContact OD2-NE 2.92Å; D212-R216 IonicContact OD2-NH1 2.77Å; D212-R216 PolarHBondContact OD2-NH1 3.47Å; D212-R216 IonicContact OD2-NH2 3.64Å; D212-R216 PolarHBondContact OD2-NH2 2.74Å; D212-L283 HydrophobicContact CB-CD1 4.24Å; D212-L283 HydrophobicContact CB-CD2 3.88Å
213L81.9Confident81.6Confident81 Ų8148.8 Ų48.842%0.42425%0.251SS..Hα-helixtrans-58.5-53.4175.4176.266.8000112.2L196 P209 V210 F215 R216 Q217L196-L213 HydrophobicContact CD1-CD2 4.05Å; P209-L213 VanDerWaalsContact O-CB 3.31Å; P209-L213 WeakPolarHBondContact O-CB 3.12Å; P209-L213 PolarHBondContact O-N 2.96Å; V210-L213 PolarHBondContact O-N 3.07Å; L213-F215 VanDerWaalsContact C-N 3.32Å; L213-F215 PolarHBondContact O-N 3.34Å; L213-R216 PolarHBondContact O-N 3.46Å; L213-Q217 PolarHBondContact O-N 2.84Å; L213-Q217 VanDerWaalsContact O-N 3.09Å
214L87.1Confident81.4Confident2 Ų250.5 Ų50.51%0.0126%0.262CS..Hα-helixtrans-64.6-39.4-178.6-67.2175.4000111.2F193 L196 V210 L211 Q217 L218 L255 A258 I259 L262F193-L214 HydrophobicContact CB-CD2 4.43Å; F193-L214 HydrophobicContact CD1-CD2 3.47Å; F193-L214 VanDerWaalsContact CD1-CD2 3.47Å; F193-L214 HydrophobicContact CE1-CD2 3.95Å; F193-L214 HydrophobicContact CG-CD2 4.12Å; L196-L214 HydrophobicContact CD1-CD2 3.95Å; L196-L214 HydrophobicContact CD1-CG 4.5Å; V210-L214 HydrophobicContact CG1-CD1 3.98Å; V210-L214 HydrophobicContact CG1-CG 4.36Å; V210-L214 WeakPolarHBondContact O-CG 3.47Å; V210-L214 PolarHBondContact O-N 2.98Å; L211-L214 PolarHBondContact O-N 3.07Å; L214-Q217 WeakPolarHBondContact O-CB 3.15Å; L214-Q217 PolarHBondContact O-N 3.41Å; L214-L218 PolarHBondContact O-N 3.24Å; L214-L255 HydrophobicContact CB-CD1 4.08Å; L214-L255 HydrophobicContact CD2-CD1 3.87Å; L214-A258 HydrophobicContact CD1-CB 4.12Å; L214-I259 HydrophobicContact CB-CD1 4.22Å; L214-I259 HydrophobicContact CB-CG1 3.63Å; L214-I259 HydrophobicContact CD1-CG1 4.5Å; L214-L262 HydrophobicContact CD1-CD1 3.78Å
215F90.3Very high80.7Confident4 Ų457.9 Ų57.92%0.01829%0.289CS..Hα-helixtrans-67.8-40.5178.3-171.7-111.7000112.4L211 D212 L213 Q217 L218 E219 K286 V287L211-F215 VanDerWaalsContact O-CB 3.27Å; L211-F215 WeakPolarHBondContact O-CB 3.46Å; L211-F215 PolarHBondContact O-N 3.24Å; D212-F215 PolarHBondContact O-N 3.22Å; L213-F215 VanDerWaalsContact C-N 3.32Å; L213-F215 PolarHBondContact O-N 3.34Å; F215-Q217 PolarHBondContact O-N 3.13Å; F215-L218 HydrophobicContact CD2-CD2 4.4Å; F215-L218 HydrophobicContact CE2-CD2 4.47Å; F215-L218 WeakPolarHBondContact O-CA 3.4Å; F215-L218 WeakPolarHBondContact O-CB 3.01Å; F215-L218 PolarHBondContact O-N 2.79Å; F215-E219 HydrophobicContact CD1-CG 4.01Å; F215-E219 HydrophobicContact CE1-CG 3.74Å; F215-E219 WeakPolarHBondContact CE1-OE1 3.47Å; F215-E219 HydrophobicContact CZ-CG 4.14Å; F215-E219 WeakPolarHBondContact O-CG 3.44Å; F215-E219 PolarHBondContact O-N 3.39Å; F215-K286 HydrophobicContact CD1-CD 4.46Å; F215-K286 HydrophobicContact CE1-CD 3.96Å; F215-K286 HydrophobicContact CE1-CG 4.03Å; F215-V287 HydrophobicContact CB-CG2 3.94Å; F215-V287 HydrophobicContact CD1-CG2 3.97Å; F215-V287 HydrophobicContact CD2-CB 4.22Å; F215-V287 HydrophobicContact CD2-CG1 3.89Å; F215-V287 HydrophobicContact CD2-CG2 3.86Å; F215-V287 HydrophobicContact CE1-CG2 4.44Å; F215-V287 HydrophobicContact CE2-CB 4.38Å; F215-V287 HydrophobicContact CE2-CG1 4.23Å; F215-V287 HydrophobicContact CE2-CG2 4.35Å; F215-V287 HydrophobicContact CG-CB 4.49Å; F215-V287 HydrophobicContact CG-CG1 4.48Å; F215-V287 HydrophobicContact CG-CG2 3.65Å
216R84.8Confident79.9Confident141 Ų14163.7 Ų63.753%0.53230%0.302SS..Hα-helixtrans-59.7-34.3171.5-77-179.3-174.2144.39.9112.5D212 L213 E219D212-R216 VanDerWaalsContact CG-CZ 3.44Å; D212-R216 VanDerWaalsContact CG-NH2 3.29Å; D212-R216 WeakPolarHBondContact O-CB 3.31Å; D212-R216 VanDerWaalsContact O-CG 3.31Å; D212-R216 WeakPolarHBondContact O-CG 2.94Å; D212-R216 PolarHBondContact O-N 3.49Å; D212-R216 IonicContact OD1-CZ 2.97Å; D212-R216 IonicContact OD1-NE 3.45Å; D212-R216 PolarHBondContact OD1-NE 3.36Å; D212-R216 IonicContact OD1-NH2 2.89Å; D212-R216 PolarHBondContact OD1-NH2 2.57Å; D212-R216 IonicContact OD2-CZ 3.96Å; D212-R216 IonicContact OD2-NE 2.92Å; D212-R216 IonicContact OD2-NH1 2.77Å; D212-R216 PolarHBondContact OD2-NH1 3.47Å; D212-R216 IonicContact OD2-NH2 3.64Å; D212-R216 PolarHBondContact OD2-NH2 2.74Å; L213-R216 PolarHBondContact O-N 3.46Å; R216-E219 PolarHBondContact O-N 2.97Å
217Q84.6Confident79Confident32 Ų3265.9 Ų65.915%0.1532%0.319CS..Hα-helixtrans-64.3-43173-17262.318.500111.1F160 F193 L213 L214 F215 Q220 Y221 E250 L255F160-Q217 HydrophobicContact CZ-CG 4.35Å; F193-Q217 HydrophobicContact CZ-CG 4.16Å; L213-Q217 PolarHBondContact O-N 2.84Å; L213-Q217 VanDerWaalsContact O-N 3.09Å; L214-Q217 WeakPolarHBondContact O-CB 3.15Å; L214-Q217 PolarHBondContact O-N 3.41Å; F215-Q217 PolarHBondContact O-N 3.13Å; Q217-Q220 PolarHBondContact O-N 3.42Å; Q217-Y221 WeakPolarHBondContact O-CD2 2.97Å; Q217-Y221 WeakPolarHBondContact O-CE2 3.08Å; Q217-E250 PolarHBondContact NE2-OE2 2.95Å; Q217-L255 HydrophobicContact CB-CD1 4.33Å; Q217-L255 HydrophobicContact CB-CD2 4.12Å; Q217-L255 HydrophobicContact CG-CD1 4.45Å; Q217-L255 HydrophobicContact CG-CD2 3.81Å
218L88.9Confident77.4Confident0 Ų071.9 Ų71.90%036%0.355CS..Hα-helixtrans-66.2-38.3177-178.163.5000112.4L214 F215 Q220 Y221 L222 F233 V252 L255 I256 I259 L291L214-L218 PolarHBondContact O-N 3.24Å; F215-L218 HydrophobicContact CD2-CD2 4.4Å; F215-L218 HydrophobicContact CE2-CD2 4.47Å; F215-L218 WeakPolarHBondContact O-CA 3.4Å; F215-L218 WeakPolarHBondContact O-CB 3.01Å; F215-L218 PolarHBondContact O-N 2.79Å; L218-Q220 PolarHBondContact O-N 2.92Å; L218-Y221 PolarHBondContact O-N 2.93Å; L218-L222 PolarHBondContact O-N 2.99Å; L218-F233 HydrophobicContact CD1-CE2 3.86Å; L218-F233 HydrophobicContact CD1-CZ 4.26Å; L218-V252 HydrophobicContact CD1-CG2 4.41Å; L218-L255 HydrophobicContact CB-CD2 4.04Å; L218-L255 HydrophobicContact CB-CG 4.47Å; L218-L255 HydrophobicContact CD1-CD2 4.35Å; L218-I256 HydrophobicContact CD1-CD1 4.34Å; L218-I256 HydrophobicContact CD1-CG1 3.92Å; L218-I256 HydrophobicContact CD2-CG1 4.25Å; L218-I259 HydrophobicContact CB-CD1 3.88Å; L218-I259 HydrophobicContact CD2-CD1 3.83Å; L218-I259 HydrophobicContact CG-CD1 4.46Å; L218-L291 HydrophobicContact CD2-CD2 3.57Å
219E86.6Confident75.6Confident72 Ų7278.4 Ų78.434%0.33638%0.376SS..Hα-helixtrans-56.1-25.5-179.6-77.7-177.4127.500113.1F215 R216 Y221 L222 K286F215-E219 HydrophobicContact CD1-CG 4.01Å; F215-E219 HydrophobicContact CE1-CG 3.74Å; F215-E219 WeakPolarHBondContact CE1-OE1 3.47Å; F215-E219 HydrophobicContact CZ-CG 4.14Å; F215-E219 WeakPolarHBondContact O-CG 3.44Å; F215-E219 PolarHBondContact O-N 3.39Å; R216-E219 PolarHBondContact O-N 2.97Å; E219-Y221 PolarHBondContact O-N 2.72Å; E219-L222 HydrophobicContact CG-CD1 4.35Å; E219-L222 PolarHBondContact O-N 3.2Å; E219-K286 VanDerWaalsContact OE1-CE 3.24Å; E219-K286 WeakPolarHBondContact OE1-CE 3.44Å; E219-K286 IonicContact OE1-NZ 2.81Å; E219-K286 PolarHBondContact OE1-NZ 3.21Å; E219-K286 IonicContact OE2-NZ 2.74Å; E219-K286 PolarHBondContact OE2-NZ 2.8Å
220Q84Confident74.4Confident124 Ų12483 Ų8358%0.57940%0.396SS*.THydrogen-bonded Turntrans-65.6-20.2176.3-66173.859.800113.9Q217 L218Q217-Q220 PolarHBondContact O-N 3.42Å; L218-Q220 PolarHBondContact O-N 2.92Å
221Y87.8Confident73.5Confident22 Ų2285.4 Ų85.49%0.08641%0.413CS..THydrogen-bonded Turntrans-106.9-11.8-179.3-56.1-86.8000112.8Q217 L218 E219 F233 N234 A237 E250Q217-Y221 WeakPolarHBondContact O-CD2 2.97Å; Q217-Y221 WeakPolarHBondContact O-CE2 3.08Å; L218-Y221 PolarHBondContact O-N 2.93Å; E219-Y221 PolarHBondContact O-N 2.72Å; Y221-F233 VanDerWaalsContact CB-CE2 3.41Å; Y221-F233 HydrophobicContact CG-CE1 4.5Å; Y221-F233 HydrophobicContact CG-CE2 4.5Å; Y221-F233 AromaticContact CG-CZ 3.9Å; Y221-F233 HydrophobicContact CG-CZ 3.9Å; Y221-N234 PolarHBondContact O-N 3.11Å; Y221-A237 HydrophobicContact CD1-CB 4.01Å; Y221-A237 HydrophobicContact CE1-CB 3.91Å; Y221-E250 HydrophobicContact CE1-CB 4.24Å; Y221-E250 HydrophobicContact CE1-CG 4.41Å; Y221-E250 HydrophobicContact CE2-CB 4.41Å; Y221-E250 HydrophobicContact CE2-CG 3.76Å; Y221-E250 VanDerWaalsContact OH-CB 3.32Å; Y221-E250 WeakPolarHBondContact OH-CB 3.35Å; Y221-E250 WeakPolarHBondContact OH-CG 3.48Å; Y221-E250 PolarHBondContact OH-OE2 2.96Å
222L85.6Confident73.1Confident41 Ų4186.7 Ų86.722%0.21542%0.419CS..SBendtrans-73.9147.3173-62.1-178000109.8L218 E219 F233 L294L218-L222 PolarHBondContact O-N 2.99Å; E219-L222 HydrophobicContact CG-CD1 4.35Å; E219-L222 PolarHBondContact O-N 3.2Å; L222-F233 HydrophobicContact CD2-CD2 4.01Å; L222-F233 HydrophobicContact CD2-CE2 4.2Å; L222-L294 HydrophobicContact CD2-CB 4.35Å; L222-L294 HydrophobicContact CD2-CD1 4.17Å; L222-L294 HydrophobicContact CD2-CD2 4.03Å; L222-L294 HydrophobicContact CD2-CG 4.41Å
223P74.2Confident73.2Confident46 Ų4685.5 Ų85.530%0.29941%0.413SS..PPolyproline II helixtrans-61.9139.3176.826.7-37000111.8K225 S231 I232P223-K225 PolarHBondContact O-N 3.4Å; P223-S231 WeakPolarHBondContact CB-O 3.22Å; P223-S231 WeakPolarHBondContact CG-O 3.17Å; P223-I232 VanDerWaalsContact CD-O 3.23Å; P223-I232 WeakPolarHBondContact CD-O 3.18Å
224D67.1Low73.5Confident99 Ų9985 Ų8553%0.52941%0.411SS..PPolyproline II helixtrans-64.4123.2170.9-175.5-6.7000109K226 S227D224-K226 PolarHBondContact O-N 3.29Å; D224-K226 PolarHBondContact OD1-N 3.17Å; D224-S227 WeakPolarHBondContact O-CB 3.48Å; D224-S227 PolarHBondContact O-N 3.41Å
225K60.1Low73.7Confident215 Ų21585.1 Ų85.194%0.93541%0.411SS*.THydrogen-bonded Turntrans-53-22.4176.6-66-174.9178.5-177.10113P223P223-K225 PolarHBondContact O-N 3.4Å
226K55.1Low73.6Confident186 Ų18689 Ų8981%0.80943%0.429SS*.THydrogen-bonded Turntrans-84.2-16.2178.5-65.1179.4-1791750114D224 N228D224-K226 PolarHBondContact O-N 3.29Å; D224-K226 PolarHBondContact OD1-N 3.17Å; K226-N228 PolarHBondContact O-N 2.89Å
227S50.9Low73.6Confident68 Ų6884.1 Ų84.148%0.47642%0.419SS..  trans-85.1108.6179.6-67.10000109.1D224 R229D224-S227 WeakPolarHBondContact O-CB 3.48Å; D224-S227 PolarHBondContact O-N 3.41Å; S227-R229 PolarHBondContact O-N 2.82Å
228N45.7Very low73.8Confident179 Ų17982.6 Ų82.696%0.95741%0.412SS*.  trans-6523173.4-122.610.9000113.5K226K226-N228 PolarHBondContact O-N 2.89Å
229R44.2Very low73.6Confident213 Ų21382.7 Ų82.780%0.80441%0.413SS*.SBendtrans-109.9131.5179.4-71.5-171.3175.4-166-1.2108.2S227 S231S227-R229 PolarHBondContact O-N 2.82Å; R229-S231 PolarHBondContact O-N 3.37Å
230L51.6Low73.3Confident177 Ų17781.5 Ų81.593%0.92741%0.41SS*.  trans-56.334176-65.1150.2000114.7I232L230-I232 PolarHBondContact O-N 2.76Å
231S62.4Low73.2Confident58 Ų5878.8 Ų78.841%0.40640%0.402SS..  trans-69.7115.5174.3179.20000107.1P223 R229P223-S231 WeakPolarHBondContact CB-O 3.22Å; P223-S231 WeakPolarHBondContact CG-O 3.17Å; R229-S231 PolarHBondContact O-N 3.37Å
232I77.9Confident72.4Confident26 Ų2679.5 Ų79.513%0.13341%0.409CS..  trans-79.4-50.4179.1-65.7151.9000109.7P223 L230 H297 V298 D305 F306P223-I232 VanDerWaalsContact CD-O 3.23Å; P223-I232 WeakPolarHBondContact CD-O 3.18Å; L230-I232 PolarHBondContact O-N 2.76Å; I232-H297 HydrophobicContact CG2-CB 3.86Å; I232-V298 HydrophobicContact CG2-CG2 3.78Å; I232-D305 HydrophobicContact CD1-CB 3.68Å; I232-F306 HydrophobicContact CB-CE1 4.32Å; I232-F306 HydrophobicContact CB-CZ 4.27Å; I232-F306 HydrophobicContact CD1-CE2 4.46Å; I232-F306 HydrophobicContact CD1-CZ 4.17Å; I232-F306 HydrophobicContact CG2-CE1 4.15Å; I232-F306 HydrophobicContact CG2-CZ 3.89Å
233F87.1Confident71.8Confident9 Ų987.4 Ų87.44%0.03944%0.441CS..  trans-158.9134.1-178.8-172.5-96.3000108.4L218 Y221 L222 L235 V252 L294 F306 M334L218-F233 HydrophobicContact CD1-CE2 3.86Å; L218-F233 HydrophobicContact CD1-CZ 4.26Å; Y221-F233 VanDerWaalsContact CB-CE2 3.41Å; Y221-F233 HydrophobicContact CG-CE1 4.5Å; Y221-F233 HydrophobicContact CG-CE2 4.5Å; Y221-F233 AromaticContact CG-CZ 3.9Å; Y221-F233 HydrophobicContact CG-CZ 3.9Å; L222-F233 HydrophobicContact CD2-CD2 4.01Å; L222-F233 HydrophobicContact CD2-CE2 4.2Å; F233-L235 HydrophobicContact CD1-CB 4.09Å; F233-L235 HydrophobicContact CD1-CD1 4.36Å; F233-L235 HydrophobicContact CE1-CD1 4.3Å; F233-L235 PolarHBondContact O-N 2.95Å; F233-V252 HydrophobicContact CE1-CG2 3.78Å; F233-V252 HydrophobicContact CE2-CG2 4.26Å; F233-V252 HydrophobicContact CZ-CB 4.38Å; F233-V252 HydrophobicContact CZ-CG2 3.33Å; F233-L294 HydrophobicContact CB-CD1 3.97Å; F233-L294 HydrophobicContact CD2-CD1 3.67Å; F233-L294 HydrophobicContact CD2-CD2 4.09Å; F233-L294 HydrophobicContact CE2-CD2 4.27Å; F233-L294 HydrophobicContact CG-CD1 4.17Å; F233-F306 HydrophobicContact CB-CE1 4.21Å; F233-M334 HydrophobicContact CD1-SD 3.82Å; F233-M334 HydrophobicContact CE1-SD 4.09Å; F233-M334 HydrophobicContact CG-SD 4.11Å
234N87.6Confident71.3Confident72 Ų7288 Ų8839%0.38544%0.442SS..  trans-79.965.8-179.9-170.20.1000111.5Y221 E236 A237Y221-N234 PolarHBondContact O-N 3.11Å; N234-E236 PolarHBondContact O-N 2.79Å; N234-A237 HydrophobicContact CB-CB 4.45Å; N234-A237 WeakPolarHBondContact O-CB 3.42Å; N234-A237 PolarHBondContact O-N 3.13Å; N234-A237 VanDerWaalsContact O-N 3.13Å; N234-A237 PolarHBondContact OD1-N 3.48Å
235L90.4Very high71.7Confident3 Ų383.2 Ų83.22%0.01642%0.417CS..G310 helixtrans-60.1-32.4-179.6-170.863.4000111.5F233 A237 C238 V252 F306 L308 L327 Q330 F331F233-L235 HydrophobicContact CD1-CB 4.09Å; F233-L235 HydrophobicContact CD1-CD1 4.36Å; F233-L235 HydrophobicContact CE1-CD1 4.3Å; F233-L235 PolarHBondContact O-N 2.95Å; L235-A237 PolarHBondContact O-N 3.44Å; L235-C238 VanDerWaalsContact O-CB 3.27Å; L235-C238 WeakPolarHBondContact O-CB 3.39Å; L235-C238 PolarHBondContact O-N 3.3Å; L235-V252 HydrophobicContact CD1-CG1 4.37Å; L235-F306 HydrophobicContact CB-CD1 4.27Å; L235-F306 HydrophobicContact CD2-CB 4.27Å; L235-F306 HydrophobicContact CD2-CD1 4.24Å; L235-L308 HydrophobicContact CD2-CD1 3.57Å; L235-L327 HydrophobicContact CD2-CB 4.48Å; L235-L327 HydrophobicContact CG-CD2 4.25Å; L235-L327 WeakPolarHBondContact O-CD2 3.32Å; L235-Q330 HydrophobicContact CD1-CB 4Å; L235-F331 HydrophobicContact CD2-CB 3.98Å; L235-F331 HydrophobicContact CD2-CD2 4.08Å
236E88.4Confident72.5Confident87 Ų8773.6 Ų73.641%0.40738%0.377SS..G310 helixtrans-61.6-25.5178.6-67.5-168.8179.500114N234 C238 N307 K323 L327N234-E236 PolarHBondContact O-N 2.79Å; E236-C238 VanDerWaalsContact C-N 3.29Å; E236-N307 PolarHBondContact OE1-ND2 3.07Å; E236-K323 PolarHBondContact O-NZ 3.44Å; E236-L327 HydrophobicContact CG-CD1 4.39Å
237A86.4Confident73.2Confident37 Ų3765.2 Ų65.231%0.30634%0.341SS..G310 helixtrans-75.9-16.3175.300000112.8Y221 N234 L235 A239Y221-A237 HydrophobicContact CD1-CB 4.01Å; Y221-A237 HydrophobicContact CE1-CB 3.91Å; N234-A237 HydrophobicContact CB-CB 4.45Å; N234-A237 WeakPolarHBondContact O-CB 3.42Å; N234-A237 PolarHBondContact O-N 3.13Å; N234-A237 VanDerWaalsContact O-N 3.13Å; N234-A237 PolarHBondContact OD1-N 3.48Å; L235-A237 PolarHBondContact O-N 3.44Å; A237-A239 PolarHBondContact O-N 2.9Å
238C86.9Confident74.6Confident0 Ų062.2 Ų62.20%032%0.32CS..G310 helixtrans-74.1-12.6176.6-56.30000112.5L235 E236 L248 L249 E250 L327L235-C238 VanDerWaalsContact O-CB 3.27Å; L235-C238 WeakPolarHBondContact O-CB 3.39Å; L235-C238 PolarHBondContact O-N 3.3Å; E236-C238 VanDerWaalsContact C-N 3.29Å; C238-L248 WeakPolarHBondContact O-CD1 3.18Å; C238-L249 PolarHBondContact O-N 3.03Å; C238-E250 HydrophobicContact CB-CB 4.3Å; C238-E250 PolarHBondContact O-N 3.41Å; C238-L327 HydrophobicContact CB-CD2 4.46Å
239A84.7Confident76.1Confident3 Ų356.2 Ų56.23%0.02529%0.287CS..EExtended strand (participates in β ladder)trans-140.3144175.400000112.9A237 H247 K323 L327A237-A239 PolarHBondContact O-N 2.9Å; A239-H247 CarbonylContact C-O 3.56Å; A239-H247 WeakPolarHBondContact CA-O 3.32Å; A239-H247 WeakPolarHBondContact CB-O 3.37Å; A239-K323 HydrophobicContact CB-CG 4.02Å; A239-K323 WeakPolarHBondContact O-CE 3.39Å; A239-K323 PolarHBondContact O-NZ 3.15Å; A239-L327 HydrophobicContact CB-CD2 3.51Å; A239-L327 HydrophobicContact CB-CG 4.14Å
240T82.1Confident77.9Confident46 Ų4646.2 Ų46.228%0.28225%0.249SC..EExtended strand (participates in β ladder)trans-118.9157.4177.7-169.20000111.7A246 H247 L249T240-A246 CarbonylContact O-C 3.55Å; T240-A246 WeakPolarHBondContact O-CA 3.09Å; T240-H247 HydrophobicContact CG2-CB 4.09Å; T240-H247 PolarHBondContact N-O 3.09Å; T240-H247 PolarHBondContact O-N 2.83Å; T240-L249 HydrophobicContact CG2-CD1 4.06Å; T240-L249 HydrophobicContact CG2-CD2 3.84Å; T240-L249 HydrophobicContact CG2-CG 4Å
241T80.2Confident79.5Confident67 Ų6738.1 Ų38.141%0.41121%0.207SC..EExtended strand (participates in β ladder)trans-109.9142.4171.849.30000109.9G245 A246 K323T241-G245 WeakPolarHBondContact CA-O 3.17Å; T241-A246 HydrophobicContact CG2-CB 4.15Å; T241-K323 HydrophobicContact CG2-CB 3.72Å; T241-K323 HydrophobicContact CG2-CD 3.75Å; T241-K323 HydrophobicContact CG2-CG 4.18Å
242T72Confident80.8Confident37 Ų3735.3 Ų35.323%0.22719%0.188CC..EExtended strand (participates in β ladder)trans-125.3173.1169.862.50000108.5P167 G168 D244 G245 H247P167-T242 HydrophobicContact CB-CG2 4.07Å; G168-T242 PolarHBondContact O-OG1 3.39Å; T242-D244 PolarHBondContact O-N 2.74Å; T242-D244 PolarHBondContact OG1-N 2.88Å; T242-G245 PolarHBondContact N-O 3.44Å; T242-G245 PolarHBondContact O-N 3.25Å; T242-G245 PolarHBondContact OG1-N 3.36Å; T242-G245 PolarHBondContact OG1-O 2.91Å; T242-H247 PolarHBondContact OG1-NE2 3.46Å
243K72.9Confident81.5Confident207 Ų20734.1 Ų34.190%0.918%0.182SC*.THydrogen-bonded Turntrans-54.7-24.9172.3-67.4-175179.1-177.70112.6
244D64.4Low81.6Confident58 Ų5834.6 Ų34.631%0.3119%0.185SC..THydrogen-bonded Turntrans-92.6-24.9-174-59.6-39.5000111.6R169 S170 T242R169-D244 HydrophobicContact CB-CB 3.89Å; R169-D244 VanDerWaalsContact CD-OD2 3.31Å; R169-D244 WeakPolarHBondContact CD-OD2 3.27Å; R169-D244 HydrophobicContact CG-CB 4.41Å; R169-D244 WeakPolarHBondContact CG-OD2 3.49Å; R169-D244 IonicContact NE-OD2 2.74Å; S170-D244 WeakPolarHBondContact CA-O 3.37Å; S170-D244 WeakPolarHBondContact CB-O 3.39Å; S170-D244 PolarHBondContact N-O 3.29Å; S170-D244 PolarHBondContact OG-O 2.77Å; T242-D244 PolarHBondContact O-N 2.74Å; T242-D244 PolarHBondContact OG1-N 2.88Å
245G74.4Confident81.8Confident0 Ų031.1 Ų31.10%017%0.167CC..EExtended strand (participates in β ladder)trans162.3-164.5179.900000113T241 T242 H247T241-G245 WeakPolarHBondContact CA-O 3.17Å; T242-G245 PolarHBondContact N-O 3.44Å; T242-G245 PolarHBondContact O-N 3.25Å; T242-G245 PolarHBondContact OG1-N 3.36Å; T242-G245 PolarHBondContact OG1-O 2.91Å; G245-H247 PolarHBondContact O-CD2 3.41Å; G245-H247 VanDerWaalsContact O-CD2 3.31Å; G245-H247 PolarHBondContact O-NE2 3.44Å; G245-H247 VanDerWaalsContact O-NE2 3.12Å
246A77.8Confident82Confident12 Ų1231 Ų3110%0.09917%0.166CC..EExtended strand (participates in β ladder)trans-104.9149.9171.600000113.8T240 T241 Q322 K323 L326T240-A246 CarbonylContact O-C 3.55Å; T240-A246 WeakPolarHBondContact O-CA 3.09Å; T241-A246 HydrophobicContact CG2-CB 4.15Å; A246-Q322 HydrophobicContact CB-CB 3.72Å; A246-K323 HydrophobicContact CB-CB 3.52Å; A246-K323 HydrophobicContact CB-CG 4.39Å; A246-L326 HydrophobicContact CB-CD1 4.03Å; A246-L326 WeakPolarHBondContact O-CD1 3.46Å
247H70.3Confident82.2Confident10 Ų1028 Ų285%0.04616%0.155CC..EExtended strand (participates in β ladder)trans-141131.9-166.4-60.3-60.4000110.9G168 R169 F182 A239 T240 T242 G245G168-H247 WeakPolarHBondContact CA-ND1 3.4Å; G168-H247 PolarHBondContact O-CD2 3.26Å; G168-H247 PolarHBondContact O-CE1 3.19Å; G168-H247 VanDerWaalsContact O-CG 3.3Å; G168-H247 PolarHBondContact O-ND1 3.22Å; G168-H247 PolarHBondContact O-NE2 3.36Å; R169-H247 PolarHBondContact N-CE1 3.4Å; R169-H247 PolarHBondContact O-CE1 2.8Å; F182-H247 HydrophobicContact CE1-CB 4.18Å; F182-H247 HydrophobicContact CE2-CB 4.06Å; F182-H247 HydrophobicContact CZ-CB 3.55Å; A239-H247 CarbonylContact C-O 3.56Å; A239-H247 WeakPolarHBondContact CA-O 3.32Å; A239-H247 WeakPolarHBondContact CB-O 3.37Å; T240-H247 HydrophobicContact CG2-CB 4.09Å; T240-H247 PolarHBondContact N-O 3.09Å; T240-H247 PolarHBondContact O-N 2.83Å; T242-H247 PolarHBondContact OG1-NE2 3.46Å; G245-H247 PolarHBondContact O-CD2 3.41Å; G245-H247 VanDerWaalsContact O-CD2 3.31Å; G245-H247 PolarHBondContact O-NE2 3.44Å; G245-H247 VanDerWaalsContact O-NE2 3.12Å
248L80Confident82.4Confident6 Ų626.5 Ų26.53%0.03114%0.142CC..EExtended strand (participates in β ladder)trans-79.5121.7175.2-175.574.7000109.9F182 K186 C238 P251 Q330F182-L248 WeakPolarHBondContact CZ-O 3.36Å; K186-L248 HydrophobicContact CD-CD2 4.23Å; C238-L248 WeakPolarHBondContact O-CD1 3.18Å; L248-P251 HydrophobicContact CD2-CB 4.5Å; L248-Q330 VanDerWaalsContact CD1-CD 3.44Å; L248-Q330 HydrophobicContact CD1-CG 3.25Å
249L76.7Confident82.8Confident53 Ų5326.5 Ų26.528%0.27714%0.142SC..  trans-89.1-46.9174.6-62.8179.8000111.1L163 C238 T240L163-L249 WeakPolarHBondContact CD1-O 3.08Å; C238-L249 PolarHBondContact O-N 3.03Å; T240-L249 HydrophobicContact CG2-CD1 4.06Å; T240-L249 HydrophobicContact CG2-CD2 3.84Å; T240-L249 HydrophobicContact CG2-CG 4Å
250E81.1Confident83.2Confident2 Ų226.4 Ų26.41%0.00914%0.141CC..  trans-126.7117.7-170.7-170.165.2-9900111F193 Q217 Y221 C238 V252F193-E250 WeakPolarHBondContact CE2-OE1 3.41Å; F193-E250 WeakPolarHBondContact CZ-OE1 3.47Å; Q217-E250 PolarHBondContact NE2-OE2 2.95Å; Y221-E250 HydrophobicContact CE1-CB 4.24Å; Y221-E250 HydrophobicContact CE1-CG 4.41Å; Y221-E250 HydrophobicContact CE2-CB 4.41Å; Y221-E250 HydrophobicContact CE2-CG 3.76Å; Y221-E250 VanDerWaalsContact OH-CB 3.32Å; Y221-E250 WeakPolarHBondContact OH-CB 3.35Å; Y221-E250 WeakPolarHBondContact OH-CG 3.48Å; Y221-E250 PolarHBondContact OH-OE2 2.96Å; C238-E250 HydrophobicContact CB-CB 4.3Å; C238-E250 PolarHBondContact O-N 3.41Å; E250-V252 PolarHBondContact O-N 3.1Å
251P86.7Confident83.5Confident7 Ų726.2 Ų26.25%0.04514%0.142CC..  trans-75.467.7170.833.6-38.7000111.4I189 F193 L248 G253 T254 L255I189-P251 HydrophobicContact CG2-CG 4.27Å; F193-P251 HydrophobicContact CD2-CG 4.49Å; F193-P251 HydrophobicContact CE2-CG 4.31Å; L248-P251 HydrophobicContact CD2-CB 4.5Å; P251-G253 VanDerWaalsContact C-N 3.29Å; P251-G253 PolarHBondContact O-N 3.29Å; P251-G253 VanDerWaalsContact O-N 3.13Å; P251-T254 WeakPolarHBondContact O-CA 3.49Å; P251-T254 WeakPolarHBondContact O-CB 3.06Å; P251-T254 PolarHBondContact O-N 3.13Å; P251-L255 PolarHBondContact O-N 3.46Å; P251-L255 VanDerWaalsContact O-N 3.13Å
252V89.5Confident83.8Confident0 Ų023 Ų230%012%0.123CC..Hα-helixtrans-51.2-40.8-171.662.10000114L218 F233 L235 E250 T254 L255 I256 Q330 M334L218-V252 HydrophobicContact CD1-CG2 4.41Å; F233-V252 HydrophobicContact CE1-CG2 3.78Å; F233-V252 HydrophobicContact CE2-CG2 4.26Å; F233-V252 HydrophobicContact CZ-CB 4.38Å; F233-V252 HydrophobicContact CZ-CG2 3.33Å; L235-V252 HydrophobicContact CD1-CG1 4.37Å; E250-V252 PolarHBondContact O-N 3.1Å; V252-T254 VanDerWaalsContact C-N 3.28Å; V252-T254 PolarHBondContact O-N 3.45Å; V252-L255 WeakPolarHBondContact O-CB 3.42Å; V252-L255 PolarHBondContact O-N 3.21Å; V252-L255 VanDerWaalsContact O-N 3.16Å; V252-I256 HydrophobicContact CG2-CD1 3.83Å; V252-I256 HydrophobicContact CG2-CG1 4.27Å; V252-I256 WeakPolarHBondContact O-CG1 3.41Å; V252-I256 PolarHBondContact O-N 3.01Å; V252-Q330 HydrophobicContact CG1-CB 4.04Å; V252-M334 HydrophobicContact CG1-CB 4.24Å
253G91.7Very high84.6Confident0 Ų021.4 Ų21.40%011%0.113CC..Hα-helixtrans-62.1-35.7177.300000113P251 S257 A337P251-G253 VanDerWaalsContact C-N 3.29Å; P251-G253 PolarHBondContact O-N 3.29Å; P251-G253 VanDerWaalsContact O-N 3.13Å; G253-S257 VanDerWaalsContact O-CB 3.3Å; G253-S257 WeakPolarHBondContact O-CB 3.4Å; G253-S257 PolarHBondContact O-N 3.21Å; G253-A337 WeakPolarHBondContact O-CB 3.13Å
254T90Very high85.1Confident19 Ų1914.5 Ų14.512%0.1178%0.083CC..Hα-helixtrans-71-38.3174.5-57.40000111.5T190 F193 K194 P251 V252 S257 A258T190-T254 HydrophobicContact CG2-CG2 4.05Å; F193-T254 HydrophobicContact CB-CG2 4.36Å; K194-T254 HydrophobicContact CG-CG2 3.97Å; P251-T254 WeakPolarHBondContact O-CA 3.49Å; P251-T254 WeakPolarHBondContact O-CB 3.06Å; P251-T254 PolarHBondContact O-N 3.13Å; V252-T254 VanDerWaalsContact C-N 3.28Å; V252-T254 PolarHBondContact O-N 3.45Å; T254-S257 PolarHBondContact O-N 2.78Å; T254-A258 VanDerWaalsContact O-CB 3.28Å; T254-A258 WeakPolarHBondContact O-CB 3.49Å; T254-A258 PolarHBondContact O-N 3.36Å
255L91.5Very high85.2Confident0 Ų018.5 Ų18.50%010%0.099CC..Hα-helixtrans-61-49.8174.6177.658.2000111.3F193 L214 Q217 L218 P251 V252 A258 I259F193-L255 HydrophobicContact CD1-CD1 4.42Å; F193-L255 HydrophobicContact CD2-CB 3.94Å; F193-L255 HydrophobicContact CD2-CD1 4.12Å; F193-L255 HydrophobicContact CE1-CD1 4.22Å; F193-L255 HydrophobicContact CE2-CB 3.78Å; F193-L255 HydrophobicContact CE2-CD1 3.9Å; F193-L255 HydrophobicContact CE2-CG 4.28Å; F193-L255 HydrophobicContact CG-CD1 4.37Å; F193-L255 HydrophobicContact CZ-CD1 3.96Å; L214-L255 HydrophobicContact CB-CD1 4.08Å; L214-L255 HydrophobicContact CD2-CD1 3.87Å; Q217-L255 HydrophobicContact CB-CD1 4.33Å; Q217-L255 HydrophobicContact CB-CD2 4.12Å; Q217-L255 HydrophobicContact CG-CD1 4.45Å; Q217-L255 HydrophobicContact CG-CD2 3.81Å; L218-L255 HydrophobicContact CB-CD2 4.04Å; L218-L255 HydrophobicContact CB-CG 4.47Å; L218-L255 HydrophobicContact CD1-CD2 4.35Å; P251-L255 PolarHBondContact O-N 3.46Å; P251-L255 VanDerWaalsContact O-N 3.13Å; V252-L255 WeakPolarHBondContact O-CB 3.42Å; V252-L255 PolarHBondContact O-N 3.21Å; V252-L255 VanDerWaalsContact O-N 3.16Å; L255-A258 WeakPolarHBondContact O-CB 3.35Å; L255-A258 PolarHBondContact O-N 3.06Å; L255-I259 HydrophobicContact CD1-CD1 4.08Å; L255-I259 HydrophobicContact CD1-CG1 4.46Å; L255-I259 HydrophobicContact CG-CD1 4.08Å; L255-I259 VanDerWaalsContact O-CG1 3.31Å; L255-I259 WeakPolarHBondContact O-CG1 3.31Å; L255-I259 PolarHBondContact O-N 3.06Å
256I95Very high84.6Confident0 Ų025.2 Ų25.20%013%0.125CC..Hα-helixtrans-62.2-46.4178-65.2169000110.4L218 V252 A258 I259 T260 L291 L294 M334 A337 L338L218-I256 HydrophobicContact CD1-CD1 4.34Å; L218-I256 HydrophobicContact CD1-CG1 3.92Å; L218-I256 HydrophobicContact CD2-CG1 4.25Å; V252-I256 HydrophobicContact CG2-CD1 3.83Å; V252-I256 HydrophobicContact CG2-CG1 4.27Å; V252-I256 WeakPolarHBondContact O-CG1 3.41Å; V252-I256 PolarHBondContact O-N 3.01Å; I256-A258 VanDerWaalsContact C-N 3.32Å; I256-A258 PolarHBondContact O-N 3.2Å; I256-I259 PolarHBondContact O-N 3.21Å; I256-T260 WeakPolarHBondContact O-CB 3.35Å; I256-T260 PolarHBondContact O-N 2.89Å; I256-T260 PolarHBondContact O-OG1 2.75Å; I256-L291 HydrophobicContact CG2-CD2 4.1Å; I256-L294 HydrophobicContact CD1-CD2 4.14Å; I256-M334 HydrophobicContact CD1-CG 3.76Å; I256-A337 HydrophobicContact CB-CB 3.79Å; I256-A337 HydrophobicContact CG2-CB 3.62Å; I256-L338 HydrophobicContact CD1-CD2 4.45Å; I256-L338 HydrophobicContact CG2-CD2 4.24Å
257S92.6Very high83.3Confident24 Ų2429 Ų2917%0.16816%0.156CC..Hα-helixtrans-61.3-39.6178.2-179.80000112.1G253 T254 T260 S261 E340 C406G253-S257 VanDerWaalsContact O-CB 3.3Å; G253-S257 WeakPolarHBondContact O-CB 3.4Å; G253-S257 PolarHBondContact O-N 3.21Å; T254-S257 PolarHBondContact O-N 2.78Å; S257-T260 PolarHBondContact O-N 3.43Å; S257-S261 WeakPolarHBondContact O-CB 3.46Å; S257-S261 PolarHBondContact O-N 3.39Å; S257-E340 PolarHBondContact OG-OE2 2.8Å; S257-C406 PolarHBondContact OG-O 2.94Å; S257-C406 VanDerWaalsContact OG-O 3.1Å
258A90.4Very high81.8Confident5 Ų531.7 Ų31.74%0.04118%0.18CC..Hα-helixtrans-60.4-48173.900000111.7F193 A197 L214 T254 L255 I256 S261 L262F193-A258 HydrophobicContact CB-CB 4.13Å; A197-A258 HydrophobicContact CB-CB 3.93Å; L214-A258 HydrophobicContact CD1-CB 4.12Å; T254-A258 VanDerWaalsContact O-CB 3.28Å; T254-A258 WeakPolarHBondContact O-CB 3.49Å; T254-A258 PolarHBondContact O-N 3.36Å; L255-A258 WeakPolarHBondContact O-CB 3.35Å; L255-A258 PolarHBondContact O-N 3.06Å; I256-A258 VanDerWaalsContact C-N 3.32Å; I256-A258 PolarHBondContact O-N 3.2Å; A258-S261 PolarHBondContact O-N 3.34Å; A258-S261 PolarHBondContact O-OG 2.91Å; A258-L262 WeakPolarHBondContact O-CG 3.04Å; A258-L262 PolarHBondContact O-N 3.31Å
259I93.8Very high79.9Confident0 Ų037.6 Ų37.60%021%0.211CC..Hα-helixtrans-60.9-48.8175.5-63.8163.5000110.5L211 L214 L218 L255 I256 S261 L262 V263 V287 L291L211-I259 HydrophobicContact CD1-CG2 3.92Å; L214-I259 HydrophobicContact CB-CD1 4.22Å; L214-I259 HydrophobicContact CB-CG1 3.63Å; L214-I259 HydrophobicContact CD1-CG1 4.5Å; L218-I259 HydrophobicContact CB-CD1 3.88Å; L218-I259 HydrophobicContact CD2-CD1 3.83Å; L218-I259 HydrophobicContact CG-CD1 4.46Å; L255-I259 HydrophobicContact CD1-CD1 4.08Å; L255-I259 HydrophobicContact CD1-CG1 4.46Å; L255-I259 HydrophobicContact CG-CD1 4.08Å; L255-I259 VanDerWaalsContact O-CG1 3.31Å; L255-I259 WeakPolarHBondContact O-CG1 3.31Å; L255-I259 PolarHBondContact O-N 3.06Å; I256-I259 PolarHBondContact O-N 3.21Å; I259-S261 VanDerWaalsContact C-N 3.29Å; I259-S261 PolarHBondContact O-N 3.47Å; I259-L262 WeakPolarHBondContact O-CB 3.44Å; I259-L262 PolarHBondContact O-N 3.35Å; I259-V263 HydrophobicContact CG2-CG2 4.23Å; I259-V263 WeakPolarHBondContact O-CG2 3.28Å; I259-V263 PolarHBondContact O-N 2.98Å; I259-V287 HydrophobicContact CG2-CG1 3.47Å; I259-V287 VanDerWaalsContact CG2-CG1 3.47Å; I259-L291 HydrophobicContact CG2-CD1 3.82Å
260T93.1Very high78.3Confident1 Ų144.4 Ų44.41%0.00624%0.242CC..Hα-helixtrans-55.6-42.8179.1-67.30000111.8I256 S257 L262 V263 K264 E340 F341 F344I256-T260 WeakPolarHBondContact O-CB 3.35Å; I256-T260 PolarHBondContact O-N 2.89Å; I256-T260 PolarHBondContact O-OG1 2.75Å; S257-T260 PolarHBondContact O-N 3.43Å; T260-L262 VanDerWaalsContact C-N 3.26Å; T260-L262 PolarHBondContact O-N 3.07Å; T260-V263 PolarHBondContact O-N 3.2Å; T260-K264 PolarHBondContact O-N 3.17Å; T260-K264 VanDerWaalsContact O-N 3.16Å; T260-E340 HydrophobicContact CG2-CB 4.49Å; T260-E340 HydrophobicContact CG2-CG 3.91Å; T260-F341 HydrophobicContact CG2-CB 4.07Å; T260-F344 HydrophobicContact CG2-CD2 3.67Å; T260-F344 HydrophobicContact CG2-CE2 4.17Å
261S88.6Confident76.7Confident43 Ų4349 Ų4930%0.30128%0.275SS..Hα-helixtrans-63.7-30.3177.376.30000113.5S257 A258 I259S257-S261 WeakPolarHBondContact O-CB 3.46Å; S257-S261 PolarHBondContact O-N 3.39Å; A258-S261 PolarHBondContact O-N 3.34Å; A258-S261 PolarHBondContact O-OG 2.91Å; I259-S261 VanDerWaalsContact C-N 3.29Å; I259-S261 PolarHBondContact O-N 3.47Å
262L88.2Confident74.8Confident0 Ų054.3 Ų54.30%030%0.302CS..Hα-helixtrans-84.3-20.5178.4-69.2178.4000113.6A197 A200 R207 V210 L211 L214 A258 I259 T260A197-L262 HydrophobicContact CB-CD1 4.35Å; A197-L262 HydrophobicContact CB-CD2 4.38Å; A197-L262 HydrophobicContact CB-CG 4.12Å; A197-L262 WeakPolarHBondContact O-CD2 3.32Å; A200-L262 HydrophobicContact CB-CD1 4.38Å; A200-L262 HydrophobicContact CB-CD2 3.53Å; R207-L262 HydrophobicContact CG-CD2 4.35Å; R207-L262 VanDerWaalsContact CZ-O 3.25Å; R207-L262 PolarHBondContact NE-O 3.1Å; R207-L262 PolarHBondContact NH2-O 3.5Å; V210-L262 HydrophobicContact CG1-CD1 3.78Å; L211-L262 HydrophobicContact CB-CD1 4.45Å; L211-L262 HydrophobicContact CD1-CB 3.99Å; L211-L262 HydrophobicContact CD1-CD1 4.44Å; L214-L262 HydrophobicContact CD1-CD1 3.78Å; A258-L262 WeakPolarHBondContact O-CG 3.04Å; A258-L262 PolarHBondContact O-N 3.31Å; I259-L262 WeakPolarHBondContact O-CB 3.44Å; I259-L262 PolarHBondContact O-N 3.35Å; T260-L262 VanDerWaalsContact C-N 3.26Å; T260-L262 PolarHBondContact O-N 3.07Å
263V88.7Confident72.7Confident2 Ų259.2 Ų59.21%0.01234%0.337CS..Hα-helixtrans-89.3-18.9177.4176.80000111.6L211 I259 T260 E265 V287 K288L211-V263 HydrophobicContact CD1-CG2 3.8Å; L211-V263 HydrophobicContact CD2-CG2 4.3Å; I259-V263 HydrophobicContact CG2-CG2 4.23Å; I259-V263 WeakPolarHBondContact O-CG2 3.28Å; I259-V263 PolarHBondContact O-N 2.98Å; T260-V263 PolarHBondContact O-N 3.2Å; V263-E265 PolarHBondContact O-N 2.81Å; V263-E265 VanDerWaalsContact O-N 3.11Å; V263-V287 HydrophobicContact CG2-CB 4.3Å; V263-V287 HydrophobicContact CG2-CG1 3.58Å; V263-K288 HydrophobicContact CG1-CD 4Å; V263-K288 VanDerWaalsContact CG1-CE 3.44Å; V263-K288 HydrophobicContact CG1-CG 3.37Å
264K82.7Confident70.5Confident63 Ų6370 Ų7027%0.27438%0.379SS..PPolyproline II helixtrans-51.8118.8174.5-173.5-180-179.4-179.90110.3R207 T260 R266 F344 S410R207-K264 PolarHBondContact NH2-O 3.04Å; T260-K264 PolarHBondContact O-N 3.17Å; T260-K264 VanDerWaalsContact O-N 3.16Å; K264-R266 PolarHBondContact O-N 3.44Å; K264-F344 HydrophobicContact CB-CD2 4.38Å; K264-F344 HydrophobicContact CD-CD1 3.95Å; K264-F344 HydrophobicContact CD-CD2 4.22Å; K264-F344 HydrophobicContact CD-CE1 3.84Å; K264-F344 HydrophobicContact CD-CE2 4.13Å; K264-F344 HydrophobicContact CD-CG 4.15Å; K264-F344 HydrophobicContact CD-CZ 3.93Å; K264-F344 HydrophobicContact CG-CB 4.5Å; K264-F344 HydrophobicContact CG-CD1 4.32Å; K264-F344 HydrophobicContact CG-CD2 4.4Å; K264-F344 HydrophobicContact CG-CG 4.18Å; K264-S410 PolarHBondContact NZ-OG 3.18Å
265E66.9Low68.4Low141 Ų14174 Ų7466%0.65941%0.407SS*.PPolyproline II helixtrans-68.9118.7169-76.2171.3-150.800107.4V263 A267 K288V263-E265 PolarHBondContact O-N 2.81Å; V263-E265 VanDerWaalsContact O-N 3.11Å; E265-A267 PolarHBondContact O-N 3.41Å; E265-K288 IonicContact OE1-NZ 2.81Å; E265-K288 PolarHBondContact OE1-NZ 3.03Å
266R61.6Low66.5Low142 Ų14280 Ų8054%0.53644%0.435SS..PPolyproline II helixtrans-71.8129.3166.8-71-170-178.7170.25.3106S201 K264 A268S201-R266 PolarHBondContact O-NH2 3.29Å; K264-R266 PolarHBondContact O-N 3.44Å; R266-A268 PolarHBondContact O-N 3.03Å; R266-A268 VanDerWaalsContact O-N 3.08Å
267A50Low64.5Low91 Ų9186.3 Ų86.375%0.75246%0.464SS*.PPolyproline II helixtrans-50.1123.1165.200000106.8E265 D269E265-A267 PolarHBondContact O-N 3.41Å; A267-D269 PolarHBondContact O-N 3.3Å
268A38.1Very low63Low67 Ų6789.2 Ų89.255%0.55449%0.49SS*.  trans-63.6103.7-179.700000107.5R266 E270R266-A268 PolarHBondContact O-N 3.03Å; R266-A268 VanDerWaalsContact O-N 3.08Å; A268-E270 PolarHBondContact O-N 3.11Å
269D41.5Very low62Low129 Ų12989.6 Ų89.669%0.6949%0.491SS*.  trans-59.8112.7158.6-79.6-25000105.5A267 S271 D272A267-D269 PolarHBondContact O-N 3.3Å; D269-S271 PolarHBondContact O-N 2.99Å; D269-D272 PolarHBondContact O-N 3.42Å
270E42.6Very low61.4Low196 Ų19693.2 Ų93.292%0.91651%0.511SS*.THydrogen-bonded Turntrans-56.4-5.2-174.5-66.5-176.7155.800113.5A268A268-E270 PolarHBondContact O-N 3.11Å
271S48.5Very low61Low100 Ų100100.9 Ų100.970%0.69954%0.544SS*.THydrogen-bonded Turntrans-88.5-16.4-177.551.10000116.3D269D269-S271 PolarHBondContact O-N 2.99Å
272D46.2Very low61.1Low117 Ų117103.6 Ų103.663%0.62656%0.559SS**  trans-11444.2-172.9-93.8-7.9000114.5D269 Y274D269-D272 PolarHBondContact O-N 3.42Å; D272-Y274 PolarHBondContact O-N 2.91Å
273S45.2Very low61.1Low104 Ų104104.5 Ų104.573%0.72756%0.564SS**THydrogen-bonded Turntrans-60-8.8-176.81560000116.5
274Y45.8Very low61.3Low225 Ų225106.1 Ų106.188%0.88257%0.572SS**THydrogen-bonded Turntrans-110.8-4.5-170.5-106.4-92.1000116.2D272D272-Y274 PolarHBondContact O-N 2.91Å
275C46.5Very low61.7Low103 Ų103106.9 Ų106.970%0.69658%0.579SS**  trans-128.26.5-171.5-68.90000115.8Q277C275-Q277 PolarHBondContact O-N 3.07Å
276Q50.4Low62.9Low128 Ų128104.5 Ų104.560%0.59857%0.567SS**  trans-80.586.9172.2-76.3173.2-10.100109.4A278Q276-A278 PolarHBondContact O-N 3.04Å
277Q53.3Low64.4Low132 Ų13297.8 Ų97.862%0.61754%0.541SS*.  trans-60.293.8151.1-85.4179-7.400106.3A205 C275 V279A205-Q277 VanDerWaalsContact CA-OE1 3.26Å; C275-Q277 PolarHBondContact O-N 3.07Å; Q277-V279 PolarHBondContact O-N 3.45Å
278A61.4Low66.5Low85 Ų8595.9 Ų95.970%0.70252%0.516SS*.  trans-63127.4174.800000107.1Q276 D280Q276-A278 PolarHBondContact O-N 3.04Å; A278-D280 PolarHBondContact O-N 2.81Å
279V70Confident69Low12 Ų1295.8 Ų95.87%0.07351%0.511CS..  trans-53.3137.4168.2-179.90000107.9R207 E208 L211 Q277 F281 L283 L284R207-V279 HydrophobicContact CB-CG2 4.07Å; R207-V279 HydrophobicContact CG-CG2 3.63Å; E208-V279 HydrophobicContact CB-CB 4.45Å; E208-V279 HydrophobicContact CB-CG1 3.96Å; E208-V279 HydrophobicContact CB-CG2 4.44Å; E208-V279 HydrophobicContact CG-CG1 4.11Å; L211-V279 HydrophobicContact CD2-CG1 3.92Å; Q277-V279 PolarHBondContact O-N 3.45Å; V279-F281 PolarHBondContact O-N 3.18Å; V279-F281 VanDerWaalsContact O-N 3.1Å; V279-L283 HydrophobicContact CG1-CD2 4.18Å; V279-L284 HydrophobicContact CB-CD1 3.87Å; V279-L284 HydrophobicContact CB-CD2 4.08Å; V279-L284 HydrophobicContact CB-CG 3.81Å; V279-L284 HydrophobicContact CG1-CD1 4.25Å; V279-L284 HydrophobicContact CG1-CD2 3.87Å; V279-L284 HydrophobicContact CG1-CG 3.62Å
280D80.7Confident71.5Confident77 Ų7790.5 Ų90.541%0.41249%0.486SS..  trans-45120.9175.2-174.2-17000110.7E208 A278 V282 L283 L284E208-D280 PolarHBondContact OE2-N 3.39Å; A278-D280 PolarHBondContact O-N 2.81Å; D280-V282 PolarHBondContact O-N 3.09Å; D280-V282 WeakPolarHBondContact OD1-CB 3.39Å; D280-V282 PolarHBondContact OD1-N 3.3Å; D280-L283 HydrophobicContact CB-CB 4.29Å; D280-L283 PolarHBondContact O-N 2.69Å; D280-L284 PolarHBondContact O-N 2.58Å
281F84.5Confident73.9Confident161 Ų16181.2 Ų81.271%0.70644%0.443SS*.Hα-helixtrans-54.3-35.2179.3-179.5-92.5000111.7V279 L284 D285V279-F281 PolarHBondContact O-N 3.18Å; V279-F281 VanDerWaalsContact O-N 3.1Å; F281-L284 PolarHBondContact O-N 3.49Å; F281-D285 HydrophobicContact CE1-CB 4.46Å; F281-D285 VanDerWaalsContact O-CB 3.26Å; F281-D285 WeakPolarHBondContact O-CB 3.47Å; F281-D285 PolarHBondContact O-N 3.4Å
282V89.7Confident76Confident101 Ų10177.3 Ų77.361%0.61242%0.419SS*.Hα-helixtrans-65.9-41.2177.9-179.30000111D280 K286D280-V282 PolarHBondContact O-N 3.09Å; D280-V282 WeakPolarHBondContact OD1-CB 3.39Å; D280-V282 PolarHBondContact OD1-N 3.3Å; V282-K286 VanDerWaalsContact O-CB 3.29Å; V282-K286 WeakPolarHBondContact O-CB 3.35Å; V282-K286 PolarHBondContact O-N 3.07Å
283L89.9Confident78.1Confident18 Ų1874.8 Ų74.89%0.09441%0.41CS..Hα-helixtrans-67.9-47175.8179.666.2000110.7E208 L211 D212 V279 D280 D285 K286 V287E208-L283 HydrophobicContact CG-CD2 3.7Å; L211-L283 HydrophobicContact CB-CD2 4.34Å; L211-L283 HydrophobicContact CD2-CD2 4.13Å; L211-L283 HydrophobicContact CD2-CG 4.29Å; L211-L283 HydrophobicContact CG-CD2 4.29Å; D212-L283 HydrophobicContact CB-CD1 4.24Å; D212-L283 HydrophobicContact CB-CD2 3.88Å; V279-L283 HydrophobicContact CG1-CD2 4.18Å; D280-L283 HydrophobicContact CB-CB 4.29Å; D280-L283 PolarHBondContact O-N 2.69Å; L283-D285 VanDerWaalsContact C-N 3.34Å; L283-D285 PolarHBondContact O-N 2.98Å; L283-K286 WeakPolarHBondContact O-CB 3.42Å; L283-K286 PolarHBondContact O-N 3.46Å; L283-V287 HydrophobicContact CD1-CG2 4.19Å; L283-V287 HydrophobicContact CG-CG2 4.38Å; L283-V287 VanDerWaalsContact O-CG2 3.25Å; L283-V287 WeakPolarHBondContact O-CG2 3.34Å; L283-V287 PolarHBondContact O-N 3.36Å
284L90.9Very high80.4Confident36 Ų3670 Ų7019%0.18838%0.377CS..Hα-helixtrans-57.1-47.3177.6-77175.2000111.7L211 V279 D280 F281 V287 K288L211-L284 HydrophobicContact CD2-CD2 3.8Å; V279-L284 HydrophobicContact CB-CD1 3.87Å; V279-L284 HydrophobicContact CB-CD2 4.08Å; V279-L284 HydrophobicContact CB-CG 3.81Å; V279-L284 HydrophobicContact CG1-CD1 4.25Å; V279-L284 HydrophobicContact CG1-CD2 3.87Å; V279-L284 HydrophobicContact CG1-CG 3.62Å; D280-L284 PolarHBondContact O-N 2.58Å; F281-L284 PolarHBondContact O-N 3.49Å; L284-V287 PolarHBondContact O-N 3.19Å; L284-K288 WeakPolarHBondContact O-CB 3.5Å; L284-K288 WeakPolarHBondContact O-CG 3.4Å; L284-K288 PolarHBondContact O-N 3.37Å
285D91.1Very high82.7Confident80 Ų8059.3 Ų59.343%0.42834%0.335SS..Hα-helixtrans-63.2-43.8178-17565.5000111.5F281 L283 V287 K288 C289F281-D285 HydrophobicContact CE1-CB 4.46Å; F281-D285 VanDerWaalsContact O-CB 3.26Å; F281-D285 WeakPolarHBondContact O-CB 3.47Å; F281-D285 PolarHBondContact O-N 3.4Å; L283-D285 VanDerWaalsContact C-N 3.34Å; L283-D285 PolarHBondContact O-N 2.98Å; D285-V287 VanDerWaalsContact C-N 3.32Å; D285-V287 PolarHBondContact O-N 2.74Å; D285-K288 PolarHBondContact O-N 3.47Å; D285-C289 VanDerWaalsContact O-CB 3.23Å; D285-C289 WeakPolarHBondContact O-CB 3.28Å; D285-C289 PolarHBondContact O-N 3.34Å; D285-C289 PolarHBondContact O-SG 2.99Å
286K93.1Very high84.8Confident91 Ų9156.6 Ų56.640%0.39632%0.317SS..Hα-helixtrans-55.8-47.1174.3-174.3-166.4-178.7-151.20111.3F215 E219 V282 L283 G290F215-K286 HydrophobicContact CD1-CD 4.46Å; F215-K286 HydrophobicContact CE1-CD 3.96Å; F215-K286 HydrophobicContact CE1-CG 4.03Å; E219-K286 VanDerWaalsContact OE1-CE 3.24Å; E219-K286 WeakPolarHBondContact OE1-CE 3.44Å; E219-K286 IonicContact OE1-NZ 2.81Å; E219-K286 PolarHBondContact OE1-NZ 3.21Å; E219-K286 IonicContact OE2-NZ 2.74Å; E219-K286 PolarHBondContact OE2-NZ 2.8Å; V282-K286 VanDerWaalsContact O-CB 3.29Å; V282-K286 WeakPolarHBondContact O-CB 3.35Å; V282-K286 PolarHBondContact O-N 3.07Å; L283-K286 WeakPolarHBondContact O-CB 3.42Å; L283-K286 PolarHBondContact O-N 3.46Å; K286-G290 PolarHBondContact O-N 3Å
287V93.5Very high86.8Confident0 Ų055.5 Ų55.50%031%0.311CS..Hα-helixtrans-67.9-48.1-179177.20000110.9L211 F215 I259 V263 L283 L284 D285 C289 G290 L291L211-V287 HydrophobicContact CD1-CG1 4.27Å; L211-V287 HydrophobicContact CD1-CG2 4.31Å; L211-V287 HydrophobicContact CD2-CG2 4.24Å; L211-V287 HydrophobicContact CG-CG2 4.12Å; F215-V287 HydrophobicContact CB-CG2 3.94Å; F215-V287 HydrophobicContact CD1-CG2 3.97Å; F215-V287 HydrophobicContact CD2-CB 4.22Å; F215-V287 HydrophobicContact CD2-CG1 3.89Å; F215-V287 HydrophobicContact CD2-CG2 3.86Å; F215-V287 HydrophobicContact CE1-CG2 4.44Å; F215-V287 HydrophobicContact CE2-CB 4.38Å; F215-V287 HydrophobicContact CE2-CG1 4.23Å; F215-V287 HydrophobicContact CE2-CG2 4.35Å; F215-V287 HydrophobicContact CG-CB 4.49Å; F215-V287 HydrophobicContact CG-CG1 4.48Å; F215-V287 HydrophobicContact CG-CG2 3.65Å; I259-V287 HydrophobicContact CG2-CG1 3.47Å; I259-V287 VanDerWaalsContact CG2-CG1 3.47Å; V263-V287 HydrophobicContact CG2-CB 4.3Å; V263-V287 HydrophobicContact CG2-CG1 3.58Å; L283-V287 HydrophobicContact CD1-CG2 4.19Å; L283-V287 HydrophobicContact CG-CG2 4.38Å; L283-V287 VanDerWaalsContact O-CG2 3.25Å; L283-V287 WeakPolarHBondContact O-CG2 3.34Å; L283-V287 PolarHBondContact O-N 3.36Å; L284-V287 PolarHBondContact O-N 3.19Å; D285-V287 VanDerWaalsContact C-N 3.32Å; D285-V287 PolarHBondContact O-N 2.74Å; V287-C289 PolarHBondContact O-N 3.35Å; V287-G290 PolarHBondContact O-N 2.85Å; V287-L291 HydrophobicContact CG1-CD1 4.26Å; V287-L291 HydrophobicContact CG1-CG 4.46Å; V287-L291 PolarHBondContact O-N 2.76Å
288K93.2Very high88.8Confident51 Ų5149.2 Ų49.222%0.22228%0.282CS..Hα-helixtrans-59.2-46177.6-77-174.1179.2-1730111.3V263 E265 L284 D285 G290 G292 N345V263-K288 HydrophobicContact CG1-CD 4Å; V263-K288 VanDerWaalsContact CG1-CE 3.44Å; V263-K288 HydrophobicContact CG1-CG 3.37Å; E265-K288 IonicContact OE1-NZ 2.81Å; E265-K288 PolarHBondContact OE1-NZ 3.03Å; L284-K288 WeakPolarHBondContact O-CB 3.5Å; L284-K288 WeakPolarHBondContact O-CG 3.4Å; L284-K288 PolarHBondContact O-N 3.37Å; D285-K288 PolarHBondContact O-N 3.47Å; K288-G290 VanDerWaalsContact C-N 3.34Å; K288-G290 PolarHBondContact O-N 3.4Å; K288-G292 PolarHBondContact O-N 2.86Å; K288-N345 WeakPolarHBondContact CE-OD1 3.34Å
289C92.1Very high90.4Very high66 Ų6645.4 Ų45.445%0.44625%0.25SS..Hα-helixtrans-62.2-40.8175.4-74.20000112.1D285 V287 S293D285-C289 VanDerWaalsContact O-CB 3.23Å; D285-C289 WeakPolarHBondContact O-CB 3.28Å; D285-C289 PolarHBondContact O-N 3.34Å; D285-C289 PolarHBondContact O-SG 2.99Å; V287-C289 PolarHBondContact O-N 3.35Å; C289-S293 VanDerWaalsContact O-CB 3.31Å; C289-S293 WeakPolarHBondContact O-CB 3.24Å; C289-S293 PolarHBondContact O-N 3.28Å; C289-S293 PolarHBondContact O-OG 3.37Å
290G92Very high91.5Very high17 Ų1750.2 Ų50.218%0.17528%0.276CS..Hα-helixtrans-63.4-49.9177.600000112.8K286 V287 K288 L294K286-G290 PolarHBondContact O-N 3Å; V287-G290 PolarHBondContact O-N 2.85Å; K288-G290 VanDerWaalsContact C-N 3.34Å; K288-G290 PolarHBondContact O-N 3.4Å; G290-L294 WeakPolarHBondContact O-CB 3.09Å; G290-L294 PolarHBondContact O-N 3.5Å
291L93.9Very high92.1Very high1 Ų147 Ų471%0.00526%0.26CS..Hα-helixtrans-66.6-41.1176.7-72.1-176.8000112.3L218 I256 I259 V287 L294 A295 F341L218-L291 HydrophobicContact CD2-CD2 3.57Å; I256-L291 HydrophobicContact CG2-CD2 4.1Å; I259-L291 HydrophobicContact CG2-CD1 3.82Å; V287-L291 HydrophobicContact CG1-CD1 4.26Å; V287-L291 HydrophobicContact CG1-CG 4.46Å; V287-L291 PolarHBondContact O-N 2.76Å; L291-L294 PolarHBondContact O-N 2.99Å; L291-A295 VanDerWaalsContact O-CB 3.28Å; L291-A295 WeakPolarHBondContact O-CB 3.34Å; L291-A295 PolarHBondContact O-N 3.48Å; L291-F341 HydrophobicContact CB-CD1 4.26Å; L291-F341 HydrophobicContact CB-CD2 3.86Å; L291-F341 HydrophobicContact CB-CE1 4.1Å; L291-F341 HydrophobicContact CB-CE2 3.67Å; L291-F341 HydrophobicContact CB-CG 4.14Å; L291-F341 HydrophobicContact CB-CZ 3.8Å; L291-F341 HydrophobicContact CD1-CD2 3.62Å; L291-F341 HydrophobicContact CD1-CE2 3.91Å; L291-F341 HydrophobicContact CD1-CG 4.33Å; L291-F341 HydrophobicContact CG-CD2 4.41Å; L291-F341 HydrophobicContact CG-CE2 4.45Å
292G92.3Very high92.6Very high18 Ų1844.9 Ų44.919%0.18625%0.252CS..Hα-helixtrans-61.6-45.417600000112.4K288 L294 A295 S296K288-G292 PolarHBondContact O-N 2.86Å; G292-L294 PolarHBondContact O-N 3.33Å; G292-A295 PolarHBondContact O-N 3.26Å; G292-S296 PolarHBondContact O-N 2.86Å; G292-S296 PolarHBondContact O-OG 3.42Å
293S91.1Very high92.8Very high64 Ų6440.7 Ų40.745%0.44823%0.226SC..Hα-helixtrans-62.4-44.1176.1-580000111.7C289 H297C289-S293 VanDerWaalsContact O-CB 3.31Å; C289-S293 WeakPolarHBondContact O-CB 3.24Å; C289-S293 PolarHBondContact O-N 3.28Å; C289-S293 PolarHBondContact O-OG 3.37Å; S293-H297 WeakPolarHBondContact O-CB 3.24Å; S293-H297 PolarHBondContact O-N 3.09Å; S293-H297 PolarHBondContact O-ND1 3.01Å
294L93.4Very high92.9Very high4 Ų444.2 Ų44.22%0.02124%0.242CC..Hα-helixtrans-60.2-48.5175.1175.461.4000111L222 F233 I256 G290 L291 G292 S296 H297 V298 L338L222-L294 HydrophobicContact CD2-CB 4.35Å; L222-L294 HydrophobicContact CD2-CD1 4.17Å; L222-L294 HydrophobicContact CD2-CD2 4.03Å; L222-L294 HydrophobicContact CD2-CG 4.41Å; F233-L294 HydrophobicContact CB-CD1 3.97Å; F233-L294 HydrophobicContact CD2-CD1 3.67Å; F233-L294 HydrophobicContact CD2-CD2 4.09Å; F233-L294 HydrophobicContact CE2-CD2 4.27Å; F233-L294 HydrophobicContact CG-CD1 4.17Å; I256-L294 HydrophobicContact CD1-CD2 4.14Å; G290-L294 WeakPolarHBondContact O-CB 3.09Å; G290-L294 PolarHBondContact O-N 3.5Å; L291-L294 PolarHBondContact O-N 2.99Å; G292-L294 PolarHBondContact O-N 3.33Å; L294-S296 PolarHBondContact O-N 3.42Å; L294-H297 PolarHBondContact O-N 2.78Å; L294-V298 HydrophobicContact CD1-CG2 3.86Å; L294-V298 HydrophobicContact CG-CG2 4.38Å; L294-V298 WeakPolarHBondContact O-CB 3.49Å; L294-V298 VanDerWaalsContact O-CG2 3.25Å; L294-V298 WeakPolarHBondContact O-CG2 3.47Å; L294-V298 PolarHBondContact O-N 3.44Å; L294-L338 HydrophobicContact CD2-CD2 4.02Å; L294-L338 HydrophobicContact CG-CD1 4.42Å; L294-L338 HydrophobicContact CG-CD2 4.1Å
295A93.7Very high93Very high0 Ų047.2 Ų47.20%026%0.258CS..Hα-helixtrans-61-45.5-178.500000112L291 G292 V298 A299 L338 F342L291-A295 VanDerWaalsContact O-CB 3.28Å; L291-A295 WeakPolarHBondContact O-CB 3.34Å; L291-A295 PolarHBondContact O-N 3.48Å; G292-A295 PolarHBondContact O-N 3.26Å; A295-V298 PolarHBondContact O-N 2.82Å; A295-A299 VanDerWaalsContact O-CB 3.31Å; A295-A299 WeakPolarHBondContact O-CB 3.49Å; A295-A299 PolarHBondContact O-N 3.46Å; A295-L338 HydrophobicContact CB-CB 4.3Å; A295-L338 HydrophobicContact CB-CD2 3.98Å; A295-F342 HydrophobicContact CB-CD2 4.33Å; A295-F342 HydrophobicContact CB-CE1 4.13Å; A295-F342 HydrophobicContact CB-CE2 3.52Å; A295-F342 HydrophobicContact CB-CZ 3.38Å
296S91Very high93.1Very high46 Ų4643.8 Ų43.832%0.32224%0.239SC..Hα-helixtrans-64.2-44.8176.1-64.70000112.4G292 L294 V298 A299 D300G292-S296 PolarHBondContact O-N 2.86Å; G292-S296 PolarHBondContact O-OG 3.42Å; L294-S296 PolarHBondContact O-N 3.42Å; S296-V298 PolarHBondContact O-N 2.98Å; S296-A299 PolarHBondContact O-N 3.03Å; S296-D300 PolarHBondContact O-N 3.2Å
297H91.8Very high93Very high105 Ų10543.6 Ų43.649%0.48624%0.243SC..Hα-helixtrans-64.1-39.6177.5-67.7163.8000112.5I232 S293 L294 S301I232-H297 HydrophobicContact CG2-CB 3.86Å; S293-H297 WeakPolarHBondContact O-CB 3.24Å; S293-H297 PolarHBondContact O-N 3.09Å; S293-H297 PolarHBondContact O-ND1 3.01Å; L294-H297 PolarHBondContact O-N 2.78Å; H297-S301 WeakPolarHBondContact O-CB 3.34Å; H297-S301 PolarHBondContact O-N 2.73Å
298V94.8Very high93Very high0 Ų043.7 Ų43.70%024%0.243CC..Hα-helixtrans-66.8-41.7174.4177.20000110I232 L294 A295 S296 D300 S301 F306 F331 M334 V335 L338 L359 L362I232-V298 HydrophobicContact CG2-CG2 3.78Å; L294-V298 HydrophobicContact CD1-CG2 3.86Å; L294-V298 HydrophobicContact CG-CG2 4.38Å; L294-V298 WeakPolarHBondContact O-CB 3.49Å; L294-V298 VanDerWaalsContact O-CG2 3.25Å; L294-V298 WeakPolarHBondContact O-CG2 3.47Å; L294-V298 PolarHBondContact O-N 3.44Å; A295-V298 PolarHBondContact O-N 2.82Å; S296-V298 PolarHBondContact O-N 2.98Å; V298-D300 VanDerWaalsContact C-N 3.28Å; V298-D300 PolarHBondContact O-N 2.49Å; V298-S301 WeakPolarHBondContact CA-OG 3.5Å; V298-S301 PolarHBondContact O-N 2.76Å; V298-S301 VanDerWaalsContact O-N 3.16Å; V298-S301 PolarHBondContact O-OG 3.27Å; V298-F306 HydrophobicContact CG1-CZ 4.31Å; V298-F306 HydrophobicContact CG2-CZ 4.13Å; V298-F331 HydrophobicContact CG1-CE2 4.44Å; V298-M334 HydrophobicContact CG1-CE 4.29Å; V298-M334 HydrophobicContact CG2-CE 4.17Å; V298-V335 HydrophobicContact CG1-CG2 4.3Å; V298-L338 HydrophobicContact CB-CD1 4.15Å; V298-L338 HydrophobicContact CG1-CD1 4.3Å; V298-L338 HydrophobicContact CG2-CD1 4.03Å; V298-L359 HydrophobicContact CB-CD2 4.03Å; V298-L359 HydrophobicContact CG1-CD2 3.63Å; V298-L362 HydrophobicContact CG1-CD1 4.45Å; V298-L362 WeakPolarHBondContact O-CD1 3.38Å
299A94.8Very high92.9Very high5 Ų542.6 Ų42.64%0.04124%0.24CC..Hα-helixtrans-59.1-37.3178.200000112.9A295 S296 S301 K358 L359A295-A299 VanDerWaalsContact O-CB 3.31Å; A295-A299 WeakPolarHBondContact O-CB 3.49Å; A295-A299 PolarHBondContact O-N 3.46Å; S296-A299 PolarHBondContact O-N 3.03Å; A299-S301 VanDerWaalsContact C-N 3.33Å; A299-K358 HydrophobicContact CB-CB 4.01Å; A299-K358 HydrophobicContact CB-CD 4.35Å; A299-K358 WeakPolarHBondContact O-CB 3.27Å; A299-L359 HydrophobicContact CB-CD2 4.18Å; A299-L359 HydrophobicContact CB-CG 4.07Å
300D93.7Very high92.9Very high113 Ų11345.8 Ų45.860%0.60425%0.246SC*.THydrogen-bonded Turntrans-88.53-179.6-69.8-30000114.2S296 V298 K358S296-D300 PolarHBondContact O-N 3.2Å; V298-D300 VanDerWaalsContact C-N 3.28Å; V298-D300 PolarHBondContact O-N 2.49Å; D300-K358 IonicContact OD1-NZ 2.86Å; D300-K358 PolarHBondContact OD1-NZ 2.74Å
301S93.5Very high92.9Very high10 Ų1049.8 Ų49.87%0.0727%0.271CS..  trans-93.8174.6-179.169.80000113.7H297 V298 A299 D305 F306 L362H297-S301 WeakPolarHBondContact O-CB 3.34Å; H297-S301 PolarHBondContact O-N 2.73Å; V298-S301 WeakPolarHBondContact CA-OG 3.5Å; V298-S301 PolarHBondContact O-N 2.76Å; V298-S301 VanDerWaalsContact O-N 3.16Å; V298-S301 PolarHBondContact O-OG 3.27Å; A299-S301 VanDerWaalsContact C-N 3.33Å; S301-D305 WeakPolarHBondContact CA-OD2 3.29Å; S301-D305 WeakPolarHBondContact CB-OD2 3.46Å; S301-F306 WeakPolarHBondContact OG-CE2 3.49Å; S301-L362 WeakPolarHBondContact O-CD2 3.36Å
302Q94.3Very high92.9Very high117 Ų11751.3 Ų51.355%0.54728%0.281SS..  trans-120.8166.7172.3-48.5-173.78.600110.4E304 D305 F306Q302-E304 WeakPolarHBondContact CB-OE2 3.33Å; Q302-E304 PolarHBondContact O-N 3.39Å; Q302-D305 PolarHBondContact N-OD2 2.72Å; Q302-D305 WeakPolarHBondContact O-CB 3.32Å; Q302-D305 PolarHBondContact O-N 3.05Å; Q302-D305 VanDerWaalsContact O-N 3.1Å; Q302-F306 WeakPolarHBondContact O-CD2 3.4Å
303L94.5Very high92.8Very high12 Ų1252.3 Ų52.36%0.06329%0.285CS..G310 helixtrans-65.3-28.8-179.7-65.1-178.2000111.8D305 F306 N307 L308 F331 L362 K365 M366 L369L303-D305 PolarHBondContact O-N 3.03Å; L303-F306 PolarHBondContact O-N 2.93Å; L303-F306 VanDerWaalsContact O-N 3.13Å; L303-N307 PolarHBondContact O-N 2.98Å; L303-L308 WeakPolarHBondContact CB-O 3.22Å; L303-L308 PolarHBondContact O-N 3.12Å; L303-F331 HydrophobicContact CD2-CD1 4.12Å; L303-F331 HydrophobicContact CD2-CE1 3.53Å; L303-F331 HydrophobicContact CD2-CZ 3.78Å; L303-L362 HydrophobicContact CD2-CD2 4.36Å; L303-L362 HydrophobicContact CG-CD2 4.5Å; L303-K365 HydrophobicContact CD1-CB 3.85Å; L303-M366 HydrophobicContact CD1-CB 4.31Å; L303-M366 HydrophobicContact CD1-SD 4.38Å; L303-M366 HydrophobicContact CD2-CB 4.06Å; L303-M366 HydrophobicContact CD2-SD 4.18Å; L303-L369 HydrophobicContact CD1-CD2 4.47Å
304E93.3Very high92.8Very high93 Ų9349.6 Ų49.644%0.43527%0.265SS..G310 helixtrans-56.6-37.1173.1-6670.1-163.300111.5Q302 F306 N307 D309Q302-E304 WeakPolarHBondContact CB-OE2 3.33Å; Q302-E304 PolarHBondContact O-N 3.39Å; E304-F306 PolarHBondContact O-N 2.88Å; E304-N307 PolarHBondContact O-N 2.92Å; E304-D309 HydrophobicContact CG-CB 3.82Å
305D92Very high92.4Very high98 Ų9851.3 Ų51.352%0.52428%0.277SS..G310 helixtrans-67.4-18180-60-43.9000112.7I232 S301 Q302 L303I232-D305 HydrophobicContact CD1-CB 3.68Å; S301-D305 WeakPolarHBondContact CA-OD2 3.29Å; S301-D305 WeakPolarHBondContact CB-OD2 3.46Å; Q302-D305 PolarHBondContact N-OD2 2.72Å; Q302-D305 WeakPolarHBondContact O-CB 3.32Å; Q302-D305 PolarHBondContact O-N 3.05Å; Q302-D305 VanDerWaalsContact O-N 3.1Å; L303-D305 PolarHBondContact O-N 3.03Å
306F92.3Very high91.9Very high9 Ų955.5 Ų55.54%0.03930%0.296CS..G310 helixtrans-104.76.9174.3-56.6-87.1000113.2I232 F233 L235 V298 S301 Q302 L303 E304 L308 F331 M334I232-F306 HydrophobicContact CB-CE1 4.32Å; I232-F306 HydrophobicContact CB-CZ 4.27Å; I232-F306 HydrophobicContact CD1-CE2 4.46Å; I232-F306 HydrophobicContact CD1-CZ 4.17Å; I232-F306 HydrophobicContact CG2-CE1 4.15Å; I232-F306 HydrophobicContact CG2-CZ 3.89Å; F233-F306 HydrophobicContact CB-CE1 4.21Å; L235-F306 HydrophobicContact CB-CD1 4.27Å; L235-F306 HydrophobicContact CD2-CB 4.27Å; L235-F306 HydrophobicContact CD2-CD1 4.24Å; V298-F306 HydrophobicContact CG1-CZ 4.31Å; V298-F306 HydrophobicContact CG2-CZ 4.13Å; S301-F306 WeakPolarHBondContact OG-CE2 3.49Å; Q302-F306 WeakPolarHBondContact O-CD2 3.4Å; L303-F306 PolarHBondContact O-N 2.93Å; L303-F306 VanDerWaalsContact O-N 3.13Å; E304-F306 PolarHBondContact O-N 2.88Å; F306-L308 HydrophobicContact CB-CB 4.44Å; F306-L308 HydrophobicContact CB-CD1 4.13Å; F306-L308 HydrophobicContact CB-CG 4.13Å; F306-L308 PolarHBondContact O-N 3.13Å; F306-F331 HydrophobicContact CD1-CD2 4.38Å; F306-F331 HydrophobicContact CD1-CE2 4.32Å; F306-F331 HydrophobicContact CD2-CD2 4.15Å; F306-F331 AromaticContact CD2-CE2 3.54Å; F306-F331 HydrophobicContact CD2-CE2 3.54Å; F306-F331 HydrophobicContact CD2-CZ 4.34Å; F306-F331 HydrophobicContact CE1-CE2 4.25Å; F306-F331 HydrophobicContact CE2-CD2 4.39Å; F306-F331 AromaticContact CE2-CE2 3.47Å; F306-F331 HydrophobicContact CE2-CE2 3.47Å; F306-F331 VanDerWaalsContact CE2-CE2 3.47Å; F306-F331 HydrophobicContact CE2-CZ 4.19Å; F306-F331 HydrophobicContact CG-CD2 4.15Å; F306-F331 AromaticContact CG-CE2 3.98Å; F306-F331 HydrophobicContact CG-CE2 3.98Å; F306-F331 AromaticContact CZ-CE2 3.86Å; F306-F331 HydrophobicContact CZ-CE2 3.86Å; F306-M334 HydrophobicContact CE1-CE 4.26Å
307N92.2Very high91.5Very high87 Ų8762.1 Ų62.147%0.46532%0.322SS..THydrogen-bonded Turntrans56.235.7-170.8-60.1-42.7000112.9E236 L303 E304 V312E236-N307 PolarHBondContact OE1-ND2 3.07Å; L303-N307 PolarHBondContact O-N 2.98Å; E304-N307 PolarHBondContact O-N 2.92Å; N307-V312 WeakPolarHBondContact O-CG1 3.47Å
308L93.3Very high91.2Very high1 Ų161.9 Ų61.91%0.00532%0.321CS..  trans-117.440.4-178.5-67.6179.9000112.7L235 L303 F306 Y314 L327 F331 M366 L369L235-L308 HydrophobicContact CD2-CD1 3.57Å; L303-L308 WeakPolarHBondContact CB-O 3.22Å; L303-L308 PolarHBondContact O-N 3.12Å; F306-L308 HydrophobicContact CB-CB 4.44Å; F306-L308 HydrophobicContact CB-CD1 4.13Å; F306-L308 HydrophobicContact CB-CG 4.13Å; F306-L308 PolarHBondContact O-N 3.13Å; L308-Y314 WeakPolarHBondContact CA-OH 3.39Å; L308-Y314 PolarHBondContact O-OH 3.38Å; L308-Y314 VanDerWaalsContact O-OH 3.1Å; L308-L327 HydrophobicContact CD2-CB 3.91Å; L308-F331 HydrophobicContact CD1-CB 3.76Å; L308-F331 HydrophobicContact CD1-CD2 4.29Å; L308-F331 HydrophobicContact CD1-CG 4.11Å; L308-M366 HydrophobicContact CB-SD 4.03Å; L308-M366 HydrophobicContact CD1-SD 4.14Å; L308-L369 WeakPolarHBondContact O-CD2 3.47Å
309D91.8Very high90.9Very high29 Ų2964.7 Ų64.716%0.15534%0.339CS..SBendtrans-99.7-167.4-178.668.815.6000112.6E304 S311 V312 Y314E304-D309 HydrophobicContact CG-CB 3.82Å; D309-S311 VanDerWaalsContact C-N 3.26Å; D309-S311 PolarHBondContact O-N 3.27Å; D309-S311 WeakPolarHBondContact OD1-CA 3.48Å; D309-S311 WeakPolarHBondContact OD1-CB 3.31Å; D309-S311 PolarHBondContact OD1-N 3.45Å; D309-S311 PolarHBondContact OD1-OG 3.18Å; D309-S311 PolarHBondContact OD2-OG 3.43Å; D309-V312 WeakPolarHBondContact O-CG2 3.33Å; D309-V312 PolarHBondContact OD1-N 3.45Å; D309-Y314 WeakPolarHBondContact O-CE2 3.11Å
310K91.7Very high90.6Very high133 Ų13366.9 Ų66.958%0.57836%0.356SS*.THydrogen-bonded Turntrans-73.7-13177.4-69.6-178.9-179.1-171.20113.7L369 E372 R373K310-L369 HydrophobicContact CG-CD1 3.65Å; K310-E372 IonicContact NZ-OE2 2.67Å; K310-R373 PolarHBondContact O-NH2 3.34Å
311S92Very high90.5Very high101 Ų10161.5 Ų61.571%0.70633%0.328SS*.THydrogen-bonded Turntrans-78-24.2-177.580.30000112.8D309D309-S311 VanDerWaalsContact C-N 3.26Å; D309-S311 PolarHBondContact O-N 3.27Å; D309-S311 WeakPolarHBondContact OD1-CA 3.48Å; D309-S311 WeakPolarHBondContact OD1-CB 3.31Å; D309-S311 PolarHBondContact OD1-N 3.45Å; D309-S311 PolarHBondContact OD1-OG 3.18Å; D309-S311 PolarHBondContact OD2-OG 3.43Å
312V92.7Very high90.2Very high33 Ų3362.5 Ų62.520%0.233%0.331CS..SBendtrans-89.3151.8179.1-55.90000112.6N307 D309 Y314 N324N307-V312 WeakPolarHBondContact O-CG1 3.47Å; D309-V312 WeakPolarHBondContact O-CG2 3.33Å; D309-V312 PolarHBondContact OD1-N 3.45Å; V312-Y314 HydrophobicContact CG2-CD2 4.35Å; V312-Y314 HydrophobicContact CG2-CE2 3.57Å; V312-Y314 WeakPolarHBondContact O-CD2 3.22Å; V312-N324 HydrophobicContact CG2-CB 4.42Å
313S91.9Very high89.9Confident39 Ų3958.8 Ų58.827%0.27331%0.313SS..  trans-73.7144.1173.8-179.20000110.8S315 E318 G321 N324S313-S315 WeakPolarHBondContact OG-CB 3.36Å; S313-S315 PolarHBondContact OG-N 2.95Å; S313-E318 WeakPolarHBondContact CB-OE2 3.49Å; S313-E318 PolarHBondContact OG-OE2 2.8Å; S313-G321 VanDerWaalsContact O-CA 3.31Å; S313-G321 WeakPolarHBondContact O-CA 3.45Å; S313-N324 WeakPolarHBondContact O-CB 3.49Å; S313-N324 PolarHBondContact O-ND2 3.48Å
314Y89.7Confident89.8Confident7 Ų759.4 Ų59.43%0.02732%0.317CS..  trans-122.417.2167.4-66.9-91.3000110.8L308 D309 V312 H316 N324 T325 M366 L369 L370 R373L308-Y314 WeakPolarHBondContact CA-OH 3.39Å; L308-Y314 PolarHBondContact O-OH 3.38Å; L308-Y314 VanDerWaalsContact O-OH 3.1Å; D309-Y314 WeakPolarHBondContact O-CE2 3.11Å; V312-Y314 HydrophobicContact CG2-CD2 4.35Å; V312-Y314 HydrophobicContact CG2-CE2 3.57Å; V312-Y314 WeakPolarHBondContact O-CD2 3.22Å; Y314-H316 PolarHBondContact O-N 3.49Å; Y314-N324 HydrophobicContact CD1-CB 4.11Å; Y314-N324 HydrophobicContact CE1-CB 4Å; Y314-T325 PolarHBondContact O-OG1 3.33Å; Y314-M366 HydrophobicContact CE1-CE 3.91Å; Y314-L369 HydrophobicContact CE2-CD2 3.93Å; Y314-L369 HydrophobicContact CE2-CG 4.19Å; Y314-L369 WeakPolarHBondContact OH-CD2 3.35Å; Y314-L370 HydrophobicContact CD1-CD2 3.83Å; Y314-L370 HydrophobicContact CE1-CD2 3.91Å; Y314-R373 HydrophobicContact CD2-CB 4.3Å; Y314-R373 HydrophobicContact CD2-CG 3.88Å; Y314-R373 HydrophobicContact CG-CB 4.25Å; Y314-R373 HydrophobicContact CG-CG 4.33Å
315S85.7Confident89.7Confident39 Ų3955.4 Ų55.427%0.27330%0.299SS..  trans-64.9136.2-178-179.30000110.9S313 E317 E318 G321 Q322S313-S315 WeakPolarHBondContact OG-CB 3.36Å; S313-S315 PolarHBondContact OG-N 2.95Å; S315-E317 PolarHBondContact O-N 3.12Å; S315-E317 WeakPolarHBondContact OG-CB 3.32Å; S315-E317 PolarHBondContact OG-N 2.84Å; S315-E317 VanDerWaalsContact OG-N 3.1Å; S315-E318 PolarHBondContact O-N 3.27Å; S315-G321 CarbonylContact O-C 3.58Å; S315-G321 VanDerWaalsContact O-C 3.29Å; S315-G321 WeakPolarHBondContact O-CA 3.47Å; S315-Q322 PolarHBondContact O-N 3.2Å
316H82.3Confident89.6Confident89 Ų8951.8 Ų51.841%0.41228%0.279SS..THydrogen-bonded Turntrans-69.7-14.2170.3-69.4-57.1000113Y314 Q322 Y399Y314-H316 PolarHBondContact O-N 3.49Å; H316-Q322 PolarHBondContact O-NE2 3.42Å; H316-Y399 AromaticContact CE1-CE1 3.9Å; H316-Y399 AromaticContact NE2-CE1 3.62Å
317E83Confident89.5Confident185 Ų18551.5 Ų51.586%0.86428%0.278SS*.THydrogen-bonded Turntrans-82.7-23.4-179.5-58-177.6167.100112.2S315S315-E317 PolarHBondContact O-N 3.12Å; S315-E317 WeakPolarHBondContact OG-CB 3.32Å; S315-E317 PolarHBondContact OG-N 2.84Å; S315-E317 VanDerWaalsContact OG-N 3.1Å
318E86.5Confident89.6Confident99 Ų9947.4 Ų47.446%0.46326%0.256SS..SBendtrans-104.7133.6-177.7-65.6172.8-177.400110.5S313 S315 A320 G321 Q322S313-E318 WeakPolarHBondContact CB-OE2 3.49Å; S313-E318 PolarHBondContact OG-OE2 2.8Å; S315-E318 PolarHBondContact O-N 3.27Å; E318-A320 VanDerWaalsContact C-N 3.26Å; E318-A320 PolarHBondContact O-N 3.06Å; E318-G321 PolarHBondContact O-N 2.84Å; E318-Q322 WeakPolarHBondContact O-CG 3.39Å; E318-Q322 PolarHBondContact O-N 3.02Å
319T87Confident89.5Confident60 Ų6049.2 Ų49.237%0.36826%0.263SS..Hα-helixtrans-60.6-37.2177.956.20000111.9Q322 K323T319-Q322 PolarHBondContact O-N 2.85Å; T319-K323 PolarHBondContact O-N 3.48Å
320A89.8Confident89.4Confident50 Ų5048.9 Ų48.941%0.41326%0.261SS..Hα-helixtrans-62.9-44.2172.100000111.7E318 Q322 K323 N324E318-A320 VanDerWaalsContact C-N 3.26Å; E318-A320 PolarHBondContact O-N 3.06Å; A320-Q322 PolarHBondContact O-N 2.72Å; A320-K323 WeakPolarHBondContact O-CB 3.22Å; A320-K323 PolarHBondContact O-N 3.34Å; A320-K323 VanDerWaalsContact O-N 3.07Å; A320-N324 PolarHBondContact O-N 2.97Å; A320-N324 PolarHBondContact O-ND2 3.35Å; A320-N324 PolarHBondContact O-OD1 2.88Å
321G90.3Very high89.6Confident0 Ų042.5 Ų42.50%023%0.233CC..Hα-helixtrans-64-37.7177.500000113.8S313 S315 E318 K323 T325S313-G321 VanDerWaalsContact O-CA 3.31Å; S313-G321 WeakPolarHBondContact O-CA 3.45Å; S315-G321 CarbonylContact O-C 3.58Å; S315-G321 VanDerWaalsContact O-C 3.29Å; S315-G321 WeakPolarHBondContact O-CA 3.47Å; E318-G321 PolarHBondContact O-N 2.84Å; G321-K323 VanDerWaalsContact C-N 3.34Å; G321-T325 WeakPolarHBondContact O-CB 3.46Å; G321-T325 PolarHBondContact O-N 3.2Å; G321-T325 PolarHBondContact O-OG1 2.86Å
322Q87.2Confident89.7Confident32 Ų3238 Ų3815%0.1520%0.201CC..Hα-helixtrans-61.5-41.9169.9-66172.74.800111.6A246 S315 H316 E318 T319 A320 T325 L326A246-Q322 HydrophobicContact CB-CB 3.72Å; S315-Q322 PolarHBondContact O-N 3.2Å; H316-Q322 PolarHBondContact O-NE2 3.42Å; E318-Q322 WeakPolarHBondContact O-CG 3.39Å; E318-Q322 PolarHBondContact O-N 3.02Å; T319-Q322 PolarHBondContact O-N 2.85Å; A320-Q322 PolarHBondContact O-N 2.72Å; Q322-T325 PolarHBondContact O-N 3.13Å; Q322-L326 WeakPolarHBondContact O-CG 3.49Å; Q322-L326 PolarHBondContact O-N 2.92Å; Q322-L326 VanDerWaalsContact O-N 3.11Å
323K88.7Confident89.7Confident38 Ų3836.7 Ų36.717%0.16519%0.193CC..Hα-helixtrans-63.3-50.6178.6-176.3179.6166.6168.60110.3E236 A239 T241 A246 T319 A320 G321 T325 L326 L327E236-K323 PolarHBondContact O-NZ 3.44Å; A239-K323 HydrophobicContact CB-CG 4.02Å; A239-K323 WeakPolarHBondContact O-CE 3.39Å; A239-K323 PolarHBondContact O-NZ 3.15Å; T241-K323 HydrophobicContact CG2-CB 3.72Å; T241-K323 HydrophobicContact CG2-CD 3.75Å; T241-K323 HydrophobicContact CG2-CG 4.18Å; A246-K323 HydrophobicContact CB-CB 3.52Å; A246-K323 HydrophobicContact CB-CG 4.39Å; T319-K323 PolarHBondContact O-N 3.48Å; A320-K323 WeakPolarHBondContact O-CB 3.22Å; A320-K323 PolarHBondContact O-N 3.34Å; A320-K323 VanDerWaalsContact O-N 3.07Å; G321-K323 VanDerWaalsContact C-N 3.34Å; K323-T325 PolarHBondContact O-N 3Å; K323-L326 WeakPolarHBondContact O-CB 3.33Å; K323-L326 PolarHBondContact O-N 2.89Å; K323-L327 HydrophobicContact CG-CD1 4.21Å; K323-L327 HydrophobicContact CG-CG 4.28Å; K323-L327 WeakPolarHBondContact O-CG 3.37Å; K323-L327 PolarHBondContact O-N 3.36Å
324N92.5Very high89.8Confident26 Ų2634.8 Ų34.814%0.13918%0.18CC..Hα-helixtrans-62.2-35-179.2-62-16.9000111.7V312 S313 Y314 A320 L327 G328V312-N324 HydrophobicContact CG2-CB 4.42Å; S313-N324 WeakPolarHBondContact O-CB 3.49Å; S313-N324 PolarHBondContact O-ND2 3.48Å; Y314-N324 HydrophobicContact CD1-CB 4.11Å; Y314-N324 HydrophobicContact CE1-CB 4Å; A320-N324 PolarHBondContact O-N 2.97Å; A320-N324 PolarHBondContact O-ND2 3.35Å; A320-N324 PolarHBondContact O-OD1 2.88Å; N324-L327 PolarHBondContact O-N 2.87Å; N324-G328 PolarHBondContact O-N 3.27Å
325T91.6Very high90.1Very high8 Ų834.5 Ų34.55%0.04918%0.179CC..Hα-helixtrans-61.4-46.8171.9-59.30000111.7Y314 G321 Q322 K323 G328 Y329 L374Y314-T325 PolarHBondContact O-OG1 3.33Å; G321-T325 WeakPolarHBondContact O-CB 3.46Å; G321-T325 PolarHBondContact O-N 3.2Å; G321-T325 PolarHBondContact O-OG1 2.86Å; Q322-T325 PolarHBondContact O-N 3.13Å; K323-T325 PolarHBondContact O-N 3Å; T325-G328 PolarHBondContact O-N 3.07Å; T325-Y329 HydrophobicContact CG2-CD2 3.96Å; T325-Y329 HydrophobicContact CG2-CE2 3.61Å; T325-Y329 WeakPolarHBondContact O-CD2 3.28Å; T325-Y329 PolarHBondContact O-N 2.97Å; T325-Y329 VanDerWaalsContact O-N 3.17Å; T325-L374 HydrophobicContact CG2-CD1 4.02Å; T325-L374 HydrophobicContact CG2-CD2 4.2Å
326L88.6Confident90.6Very high22 Ų2232.6 Ų32.612%0.11517%0.166CC..Hα-helixtrans-62.5-43.9176.7-70.2172.9000111.9A246 Q322 K323 G328 Y329 Q330A246-L326 HydrophobicContact CB-CD1 4.03Å; A246-L326 WeakPolarHBondContact O-CD1 3.46Å; Q322-L326 WeakPolarHBondContact O-CG 3.49Å; Q322-L326 PolarHBondContact O-N 2.92Å; Q322-L326 VanDerWaalsContact O-N 3.11Å; K323-L326 WeakPolarHBondContact O-CB 3.33Å; K323-L326 PolarHBondContact O-N 2.89Å; L326-G328 VanDerWaalsContact C-N 3.34Å; L326-Y329 PolarHBondContact O-N 3.46Å; L326-Q330 PolarHBondContact O-N 3.48Å
327L91.9Very high91.2Very high4 Ų428.4 Ų28.42%0.02115%0.146CC..Hα-helixtrans-62.9-40.7177-67.1-173.9000111.7L235 E236 C238 A239 L308 K323 N324 Y329 Q330 F331L235-L327 HydrophobicContact CD2-CB 4.48Å; L235-L327 HydrophobicContact CG-CD2 4.25Å; L235-L327 WeakPolarHBondContact O-CD2 3.32Å; E236-L327 HydrophobicContact CG-CD1 4.39Å; C238-L327 HydrophobicContact CB-CD2 4.46Å; A239-L327 HydrophobicContact CB-CD2 3.51Å; A239-L327 HydrophobicContact CB-CG 4.14Å; L308-L327 HydrophobicContact CD2-CB 3.91Å; K323-L327 HydrophobicContact CG-CD1 4.21Å; K323-L327 HydrophobicContact CG-CG 4.28Å; K323-L327 WeakPolarHBondContact O-CG 3.37Å; K323-L327 PolarHBondContact O-N 3.36Å; N324-L327 PolarHBondContact O-N 2.87Å; L327-Y329 VanDerWaalsContact C-N 3.32Å; L327-Y329 PolarHBondContact O-N 2.84Å; L327-Q330 CarbonylContact O-C 3.57Å; L327-Q330 WeakPolarHBondContact O-CB 3.3Å; L327-Q330 PolarHBondContact O-N 2.9Å; L327-Q330 VanDerWaalsContact O-N 3.11Å; L327-F331 WeakPolarHBondContact O-CB 3.17Å; L327-F331 PolarHBondContact O-N 3.3Å
328G92.8Very high91.8Very high0 Ų019.6 Ų19.60%011%0.105CC..Hα-helixtrans-57.9-42.9174.300000112.8N324 T325 L326 F331 L332 M366N324-G328 PolarHBondContact O-N 3.27Å; T325-G328 PolarHBondContact O-N 3.07Å; L326-G328 VanDerWaalsContact C-N 3.34Å; G328-F331 WeakPolarHBondContact O-CB 3.33Å; G328-F331 PolarHBondContact O-N 3.04Å; G328-L332 WeakPolarHBondContact O-CG 3.46Å; G328-L332 PolarHBondContact O-N 3.31Å; G328-L332 VanDerWaalsContact O-N 3.08Å; G328-M366 VanDerWaalsContact CA-CE 3.48Å
329Y91.7Very high92.2Very high40 Ų4014.9 Ų14.916%0.1578%0.083CC..Hα-helixtrans-71.4-30.5174.8-71.1-65.7000113.8T325 L326 L327 L332 S333 L370 L374 G401 A403T325-Y329 HydrophobicContact CG2-CD2 3.96Å; T325-Y329 HydrophobicContact CG2-CE2 3.61Å; T325-Y329 WeakPolarHBondContact O-CD2 3.28Å; T325-Y329 PolarHBondContact O-N 2.97Å; T325-Y329 VanDerWaalsContact O-N 3.17Å; L326-Y329 PolarHBondContact O-N 3.46Å; L327-Y329 VanDerWaalsContact C-N 3.32Å; L327-Y329 PolarHBondContact O-N 2.84Å; Y329-L332 HydrophobicContact CD1-CD1 4.16Å; Y329-S333 PolarHBondContact O-N 3.17Å; Y329-S333 VanDerWaalsContact O-N 3.14Å; Y329-S333 PolarHBondContact O-OG 3.37Å; Y329-L370 HydrophobicContact CD1-CD1 3.8Å; Y329-L370 HydrophobicContact CD2-CD1 4.46Å; Y329-L370 HydrophobicContact CE1-CD1 3.79Å; Y329-L370 HydrophobicContact CE2-CD1 4.44Å; Y329-L370 HydrophobicContact CG-CD1 4.15Å; Y329-L374 HydrophobicContact CE2-CD1 4.2Å; Y329-L374 WeakPolarHBondContact OH-CD1 3.47Å; Y329-G401 WeakPolarHBondContact CB-O 3Å; Y329-G401 WeakPolarHBondContact CD1-O 3.32Å; Y329-G401 WeakPolarHBondContact CD2-O 3.25Å; Y329-G401 WeakPolarHBondContact CE1-O 3.45Å; Y329-G401 WeakPolarHBondContact CE2-O 3.45Å; Y329-A403 HydrophobicContact CD1-CB 4.34Å
330Q90.7Very high92.6Very high21 Ų2112.2 Ų12.210%0.0987%0.066CC..Hα-helixtrans-69.3-35.4170.1-71.2-45.6-60.600112.6L235 L248 V252 L326 L327 S333 M334L235-Q330 HydrophobicContact CD1-CB 4Å; L248-Q330 VanDerWaalsContact CD1-CD 3.44Å; L248-Q330 HydrophobicContact CD1-CG 3.25Å; V252-Q330 HydrophobicContact CG1-CB 4.04Å; L326-Q330 PolarHBondContact O-N 3.48Å; L327-Q330 CarbonylContact O-C 3.57Å; L327-Q330 WeakPolarHBondContact O-CB 3.3Å; L327-Q330 PolarHBondContact O-N 2.9Å; L327-Q330 VanDerWaalsContact O-N 3.11Å; Q330-S333 WeakPolarHBondContact CA-OG 3.41Å; Q330-S333 PolarHBondContact O-N 3.34Å; Q330-S333 PolarHBondContact O-OG 3.39Å; Q330-M334 WeakPolarHBondContact O-CB 3.43Å; Q330-M334 PolarHBondContact O-N 3.36Å
331F94.4Very high92.8Very high0 Ų010.2 Ų10.20%05%0.049CC..Hα-helixtrans-61.2-48.4174-175.7-93.5000110.4L235 V298 L303 F306 L308 L327 G328 S333 M334 V335 L362 M366L235-F331 HydrophobicContact CD2-CB 3.98Å; L235-F331 HydrophobicContact CD2-CD2 4.08Å; V298-F331 HydrophobicContact CG1-CE2 4.44Å; L303-F331 HydrophobicContact CD2-CD1 4.12Å; L303-F331 HydrophobicContact CD2-CE1 3.53Å; L303-F331 HydrophobicContact CD2-CZ 3.78Å; F306-F331 HydrophobicContact CD1-CD2 4.38Å; F306-F331 HydrophobicContact CD1-CE2 4.32Å; F306-F331 HydrophobicContact CD2-CD2 4.15Å; F306-F331 AromaticContact CD2-CE2 3.54Å; F306-F331 HydrophobicContact CD2-CE2 3.54Å; F306-F331 HydrophobicContact CD2-CZ 4.34Å; F306-F331 HydrophobicContact CE1-CE2 4.25Å; F306-F331 HydrophobicContact CE2-CD2 4.39Å; F306-F331 AromaticContact CE2-CE2 3.47Å; F306-F331 HydrophobicContact CE2-CE2 3.47Å; F306-F331 VanDerWaalsContact CE2-CE2 3.47Å; F306-F331 HydrophobicContact CE2-CZ 4.19Å; F306-F331 HydrophobicContact CG-CD2 4.15Å; F306-F331 AromaticContact CG-CE2 3.98Å; F306-F331 HydrophobicContact CG-CE2 3.98Å; F306-F331 AromaticContact CZ-CE2 3.86Å; F306-F331 HydrophobicContact CZ-CE2 3.86Å; L308-F331 HydrophobicContact CD1-CB 3.76Å; L308-F331 HydrophobicContact CD1-CD2 4.29Å; L308-F331 HydrophobicContact CD1-CG 4.11Å; L327-F331 WeakPolarHBondContact O-CB 3.17Å; L327-F331 PolarHBondContact O-N 3.3Å; G328-F331 WeakPolarHBondContact O-CB 3.33Å; G328-F331 PolarHBondContact O-N 3.04Å; F331-S333 VanDerWaalsContact C-N 3.35Å; F331-S333 PolarHBondContact O-N 3.18Å; F331-M334 HydrophobicContact CD2-CE 3.69Å; F331-M334 HydrophobicContact CE2-CE 3.88Å; F331-M334 PolarHBondContact O-N 2.96Å; F331-V335 HydrophobicContact CD1-CG2 4.08Å; F331-V335 HydrophobicContact CE1-CG2 3.67Å; F331-V335 HydrophobicContact CE2-CG2 4.31Å; F331-V335 HydrophobicContact CZ-CG2 3.8Å; F331-V335 WeakPolarHBondContact O-CG2 3.26Å; F331-V335 PolarHBondContact O-N 3.39Å; F331-L362 HydrophobicContact CE1-CB 4.13Å; F331-L362 HydrophobicContact CZ-CB 4.11Å; F331-M366 HydrophobicContact CD1-CB 3.96Å; F331-M366 HydrophobicContact CD1-CG 3.88Å; F331-M366 HydrophobicContact CD1-SD 4.42Å; F331-M366 HydrophobicContact CE1-CB 4.27Å
332L94.8Very high93Very high6 Ų611 Ų113%0.0315%0.052CC..Hα-helixtrans-57-45.8175.7-68.4176.8000112.3G328 Y329 V335 E336 W363 M366 D367 L370 A403G328-L332 WeakPolarHBondContact O-CG 3.46Å; G328-L332 PolarHBondContact O-N 3.31Å; G328-L332 VanDerWaalsContact O-N 3.08Å; Y329-L332 HydrophobicContact CD1-CD1 4.16Å; L332-V335 PolarHBondContact O-N 3.04Å; L332-E336 WeakPolarHBondContact O-CG 3.34Å; L332-E336 PolarHBondContact O-N 3.33Å; L332-W363 HydrophobicContact CD2-CB 4.42Å; L332-W363 HydrophobicContact CD2-CD2 4Å; L332-W363 HydrophobicContact CD2-CG 3.75Å; L332-W363 VanDerWaalsContact CD2-O 3.25Å; L332-W363 WeakPolarHBondContact CD2-O 3.45Å; L332-M366 HydrophobicContact CD2-CB 3.74Å; L332-M366 HydrophobicContact CD2-CG 3.88Å; L332-M366 HydrophobicContact CG-CB 4.37Å; L332-M366 HydrophobicContact CG-CG 3.95Å; L332-D367 HydrophobicContact CD2-CB 4.25Å; L332-L370 HydrophobicContact CD1-CD1 3.82Å; L332-A403 HydrophobicContact CB-CB 4.26Å
333S92.7Very high93.3Very high5 Ų59.9 Ų9.94%0.0355%0.047CC..Hα-helixtrans-69.8-35.6179.965.90000113Y329 Q330 F331 A337Y329-S333 PolarHBondContact O-N 3.17Å; Y329-S333 VanDerWaalsContact O-N 3.14Å; Y329-S333 PolarHBondContact O-OG 3.37Å; Q330-S333 WeakPolarHBondContact CA-OG 3.41Å; Q330-S333 PolarHBondContact O-N 3.34Å; Q330-S333 PolarHBondContact O-OG 3.39Å; F331-S333 VanDerWaalsContact C-N 3.35Å; F331-S333 PolarHBondContact O-N 3.18Å; S333-A337 WeakPolarHBondContact O-CB 3.43Å; S333-A337 PolarHBondContact O-N 2.88Å
334M94.8Very high93.3Very high0 Ų09.9 Ų9.90%05%0.047CC..Hα-helixtrans-61.8-49.9172.9178.4179.673.800110.7F233 V252 I256 V298 F306 Q330 F331 E336 A337 L338F233-M334 HydrophobicContact CD1-SD 3.82Å; F233-M334 HydrophobicContact CE1-SD 4.09Å; F233-M334 HydrophobicContact CG-SD 4.11Å; V252-M334 HydrophobicContact CG1-CB 4.24Å; I256-M334 HydrophobicContact CD1-CG 3.76Å; V298-M334 HydrophobicContact CG1-CE 4.29Å; V298-M334 HydrophobicContact CG2-CE 4.17Å; F306-M334 HydrophobicContact CE1-CE 4.26Å; Q330-M334 WeakPolarHBondContact O-CB 3.43Å; Q330-M334 PolarHBondContact O-N 3.36Å; F331-M334 HydrophobicContact CD2-CE 3.69Å; F331-M334 HydrophobicContact CE2-CE 3.88Å; F331-M334 PolarHBondContact O-N 2.96Å; M334-E336 VanDerWaalsContact C-N 3.34Å; M334-E336 PolarHBondContact O-N 2.86Å; M334-A337 PolarHBondContact O-N 3.34Å; M334-A337 VanDerWaalsContact O-N 3.16Å; M334-L338 HydrophobicContact CG-CD1 3.94Å; M334-L338 HydrophobicContact CG-CG 4.45Å; M334-L338 VanDerWaalsContact O-CG 3.31Å; M334-L338 WeakPolarHBondContact O-CG 3.46Å; M334-L338 PolarHBondContact O-N 2.95Å
335V96.1Very high93.1Very high0 Ų010.6 Ų10.60%05%0.051CC..Hα-helixtrans-61.3-43.4179.31730000111.3V298 F331 L332 A337 L338 V339 L359 W363V298-V335 HydrophobicContact CG1-CG2 4.3Å; F331-V335 HydrophobicContact CD1-CG2 4.08Å; F331-V335 HydrophobicContact CE1-CG2 3.67Å; F331-V335 HydrophobicContact CE2-CG2 4.31Å; F331-V335 HydrophobicContact CZ-CG2 3.8Å; F331-V335 WeakPolarHBondContact O-CG2 3.26Å; F331-V335 PolarHBondContact O-N 3.39Å; L332-V335 PolarHBondContact O-N 3.04Å; V335-A337 VanDerWaalsContact C-N 3.35Å; V335-A337 PolarHBondContact O-N 3.29Å; V335-L338 PolarHBondContact O-N 2.85Å; V335-V339 WeakPolarHBondContact O-CG2 3.29Å; V335-V339 PolarHBondContact O-N 3.48Å; V335-L359 HydrophobicContact CG1-CB 3.94Å; V335-L359 HydrophobicContact CG1-CD2 4.31Å; V335-L359 VanDerWaalsContact CG1-O 3.29Å; V335-L359 WeakPolarHBondContact CG1-O 2.75Å; V335-W363 HydrophobicContact CB-CB 4.48Å; V335-W363 HydrophobicContact CG1-CB 3.82Å; V335-W363 HydrophobicContact CG1-CG 4.49Å
336E95.1Very high92.9Very high0 Ų011.8 Ų11.80%06%0.055CC..Hα-helixtrans-55.7-47.5173-77.2173-167.100111.8L332 M334 L338 V339 E340 W363 C405 C406 V407 W443 L447 R450L332-E336 WeakPolarHBondContact O-CG 3.34Å; L332-E336 PolarHBondContact O-N 3.33Å; M334-E336 VanDerWaalsContact C-N 3.34Å; M334-E336 PolarHBondContact O-N 2.86Å; E336-L338 PolarHBondContact O-N 2.79Å; E336-V339 PolarHBondContact O-N 3.33Å; E336-E340 PolarHBondContact O-N 3.1Å; E336-W363 PolarHBondContact OE1-NE1 3.19Å; E336-C405 VanDerWaalsContact OE2-CA 3.31Å; E336-C405 WeakPolarHBondContact OE2-CA 3.46Å; E336-C406 HydrophobicContact CB-CB 4.12Å; E336-C406 PolarHBondContact OE2-N 2.87Å; E336-V407 HydrophobicContact CB-CG2 3.84Å; E336-V407 HydrophobicContact CG-CG2 4.32Å; E336-V407 WeakPolarHBondContact O-CG2 3.45Å; E336-W443 HydrophobicContact CG-CZ2 4.07Å; E336-L447 HydrophobicContact CG-CD2 3.98Å; E336-R450 IonicContact OE1-CZ 2.85Å; E336-R450 VanDerWaalsContact OE1-CZ 3.3Å; E336-R450 IonicContact OE1-NH1 2.75Å; E336-R450 PolarHBondContact OE1-NH1 2.92Å; E336-R450 IonicContact OE1-NH2 2.77Å; E336-R450 PolarHBondContact OE1-NH2 3.11Å; E336-R450 IonicContact OE2-NH2 3.89Å
337A95Very high92.6Very high0 Ų013.7 Ų13.70%07%0.066CC..Hα-helixtrans-67.4-32179.900000113.7G253 I256 S333 M334 V335 E340 F341 C406G253-A337 WeakPolarHBondContact O-CB 3.13Å; I256-A337 HydrophobicContact CB-CB 3.79Å; I256-A337 HydrophobicContact CG2-CB 3.62Å; S333-A337 WeakPolarHBondContact O-CB 3.43Å; S333-A337 PolarHBondContact O-N 2.88Å; M334-A337 PolarHBondContact O-N 3.34Å; M334-A337 VanDerWaalsContact O-N 3.16Å; V335-A337 VanDerWaalsContact C-N 3.35Å; V335-A337 PolarHBondContact O-N 3.29Å; A337-E340 PolarHBondContact O-N 3.01Å; A337-F341 PolarHBondContact O-N 3.37Å; A337-C406 HydrophobicContact CB-CB 4.11Å
338L96Very high91.9Very high0 Ų016.7 Ų16.70%08%0.082CC..Hα-helixtrans-72.5-36.4174.4-66.8169.9000111.9I256 L294 A295 V298 M334 V335 E336 E340 F341 F342 L359I256-L338 HydrophobicContact CD1-CD2 4.45Å; I256-L338 HydrophobicContact CG2-CD2 4.24Å; L294-L338 HydrophobicContact CD2-CD2 4.02Å; L294-L338 HydrophobicContact CG-CD1 4.42Å; L294-L338 HydrophobicContact CG-CD2 4.1Å; A295-L338 HydrophobicContact CB-CB 4.3Å; A295-L338 HydrophobicContact CB-CD2 3.98Å; V298-L338 HydrophobicContact CB-CD1 4.15Å; V298-L338 HydrophobicContact CG1-CD1 4.3Å; V298-L338 HydrophobicContact CG2-CD1 4.03Å; M334-L338 HydrophobicContact CG-CD1 3.94Å; M334-L338 HydrophobicContact CG-CG 4.45Å; M334-L338 VanDerWaalsContact O-CG 3.31Å; M334-L338 WeakPolarHBondContact O-CG 3.46Å; M334-L338 PolarHBondContact O-N 2.95Å; V335-L338 PolarHBondContact O-N 2.85Å; E336-L338 PolarHBondContact O-N 2.79Å; L338-E340 VanDerWaalsContact C-N 3.34Å; L338-F341 WeakPolarHBondContact O-CB 3.5Å; L338-F341 PolarHBondContact O-N 3.21Å; L338-F342 PolarHBondContact O-N 3.01Å; L338-F342 VanDerWaalsContact O-N 3.08Å; L338-L359 HydrophobicContact CB-CD1 3.95Å
339V95.4Very high91.6Very high1 Ų123.5 Ų23.51%0.00611%0.107CC..Hα-helixtrans-62.8-43.1171169.80000110.4V335 E336 F341 F342 I343 M356 L359 W443V335-V339 WeakPolarHBondContact O-CG2 3.29Å; V335-V339 PolarHBondContact O-N 3.48Å; E336-V339 PolarHBondContact O-N 3.33Å; V339-F341 VanDerWaalsContact C-N 3.29Å; V339-F341 PolarHBondContact O-N 2.88Å; V339-F342 PolarHBondContact O-N 3.48Å; V339-I343 HydrophobicContact CG1-CD1 4.03Å; V339-I343 HydrophobicContact CG1-CG1 4.46Å; V339-I343 WeakPolarHBondContact O-CG1 3.49Å; V339-I343 PolarHBondContact O-N 3.46Å; V339-M356 HydrophobicContact CG1-CE 4.3Å; V339-L359 HydrophobicContact CG2-CB 3.84Å; V339-L359 HydrophobicContact CG2-CD1 3.89Å; V339-W443 HydrophobicContact CB-CH2 4.39Å; V339-W443 HydrophobicContact CG1-CH2 4.35Å; V339-W443 HydrophobicContact CG1-CZ3 4.16Å; V339-W443 HydrophobicContact CG2-CH2 4.05Å; V339-W443 HydrophobicContact CG2-CZ3 4.31Å
340E94.6Very high91.5Very high3 Ų327.6 Ų27.61%0.01413%0.126CC..Hα-helixtrans-58.2-41.4173.6-179.3170.2-139.300112.3S257 T260 E336 A337 L338 F342 I343 F344 C406 V407 S408 A411S257-E340 PolarHBondContact OG-OE2 2.8Å; T260-E340 HydrophobicContact CG2-CB 4.49Å; T260-E340 HydrophobicContact CG2-CG 3.91Å; E336-E340 PolarHBondContact O-N 3.1Å; A337-E340 PolarHBondContact O-N 3.01Å; L338-E340 VanDerWaalsContact C-N 3.34Å; E340-F342 PolarHBondContact O-N 3.37Å; E340-I343 WeakPolarHBondContact O-CB 3.42Å; E340-I343 PolarHBondContact O-N 3.38Å; E340-F344 HydrophobicContact CG-CD2 3.96Å; E340-F344 HydrophobicContact CG-CE2 3.57Å; E340-F344 HydrophobicContact CG-CZ 4.23Å; E340-F344 PolarHBondContact O-N 3.21Å; E340-F344 VanDerWaalsContact O-N 3.09Å; E340-C406 VanDerWaalsContact OE2-O 3.1Å; E340-V407 HydrophobicContact CB-CG1 4.25Å; E340-S408 WeakPolarHBondContact OE1-CB 3.22Å; E340-S408 PolarHBondContact OE1-N 3.21Å; E340-S408 PolarHBondContact OE1-OG 3.4Å; E340-A411 HydrophobicContact CG-CB 3.85Å
341F94.8Very high91.5Very high9 Ų932.2 Ų32.24%0.03915%0.148CC..Hα-helixtrans-58.6-46.1175.1169.7-98.1000112.2T260 L291 A337 L338 V339 I343 F344 N345T260-F341 HydrophobicContact CG2-CB 4.07Å; L291-F341 HydrophobicContact CB-CD1 4.26Å; L291-F341 HydrophobicContact CB-CD2 3.86Å; L291-F341 HydrophobicContact CB-CE1 4.1Å; L291-F341 HydrophobicContact CB-CE2 3.67Å; L291-F341 HydrophobicContact CB-CG 4.14Å; L291-F341 HydrophobicContact CB-CZ 3.8Å; L291-F341 HydrophobicContact CD1-CD2 3.62Å; L291-F341 HydrophobicContact CD1-CE2 3.91Å; L291-F341 HydrophobicContact CD1-CG 4.33Å; L291-F341 HydrophobicContact CG-CD2 4.41Å; L291-F341 HydrophobicContact CG-CE2 4.45Å; A337-F341 PolarHBondContact O-N 3.37Å; L338-F341 WeakPolarHBondContact O-CB 3.5Å; L338-F341 PolarHBondContact O-N 3.21Å; V339-F341 VanDerWaalsContact C-N 3.29Å; V339-F341 PolarHBondContact O-N 2.88Å; F341-I343 VanDerWaalsContact C-N 3.34Å; F341-I343 PolarHBondContact O-N 3.13Å; F341-F344 PolarHBondContact O-N 3.29Å; F341-N345 WeakPolarHBondContact CD2-ND2 3.45Å; F341-N345 WeakPolarHBondContact CE2-ND2 3.4Å; F341-N345 PolarHBondContact O-N 2.91Å; F341-N345 VanDerWaalsContact O-N 3.12Å; F341-N345 PolarHBondContact O-ND2 2.98Å
342F94Very high91.4Very high15 Ų1532.6 Ų32.67%0.06615%0.15CC..Hα-helixtrans-64.2-36.8175.7-78.5-47.6000112.8A295 L338 V339 E340 F344 N345 F346 T352 M356 L359A295-F342 HydrophobicContact CB-CD2 4.33Å; A295-F342 HydrophobicContact CB-CE1 4.13Å; A295-F342 HydrophobicContact CB-CE2 3.52Å; A295-F342 HydrophobicContact CB-CZ 3.38Å; L338-F342 PolarHBondContact O-N 3.01Å; L338-F342 VanDerWaalsContact O-N 3.08Å; V339-F342 PolarHBondContact O-N 3.48Å; E340-F342 PolarHBondContact O-N 3.37Å; F342-F344 PolarHBondContact O-N 3.47Å; F342-N345 CarbonylContact O-C 3.59Å; F342-N345 PolarHBondContact O-N 3.14Å; F342-F346 VanDerWaalsContact O-CA 3.32Å; F342-F346 WeakPolarHBondContact O-CA 3.42Å; F342-F346 PolarHBondContact O-N 2.94Å; F342-T352 HydrophobicContact CB-CG2 4.47Å; F342-T352 HydrophobicContact CD1-CG2 4Å; F342-T352 HydrophobicContact CG-CG2 4.44Å; F342-M356 HydrophobicContact CB-CG 3.62Å; F342-M356 HydrophobicContact CB-SD 3.84Å; F342-M356 HydrophobicContact CD2-CG 3.82Å; F342-M356 HydrophobicContact CG-CG 3.99Å; F342-L359 HydrophobicContact CD2-CD1 3.76Å; F342-L359 HydrophobicContact CE2-CD1 3.61Å
343I92.5Very high91.3Very high9 Ų932.3 Ų32.35%0.04615%0.148CC..Hα-helixtrans-60.5-46176.4-70169.4000111V339 E340 F341 N345 M356 A411 L415V339-I343 HydrophobicContact CG1-CD1 4.03Å; V339-I343 HydrophobicContact CG1-CG1 4.46Å; V339-I343 WeakPolarHBondContact O-CG1 3.49Å; V339-I343 PolarHBondContact O-N 3.46Å; E340-I343 WeakPolarHBondContact O-CB 3.42Å; E340-I343 PolarHBondContact O-N 3.38Å; F341-I343 VanDerWaalsContact C-N 3.34Å; F341-I343 PolarHBondContact O-N 3.13Å; I343-N345 VanDerWaalsContact C-N 3.3Å; I343-N345 PolarHBondContact O-N 3.33Å; I343-M356 HydrophobicContact CD1-CE 4.46Å; I343-M356 HydrophobicContact CG1-CE 3.69Å; I343-A411 HydrophobicContact CB-CB 4.44Å; I343-A411 HydrophobicContact CD1-CB 4.23Å; I343-A411 HydrophobicContact CG2-CB 3.99Å; I343-A411 WeakPolarHBondContact CG2-O 3.15Å; I343-L415 HydrophobicContact CD1-CB 4.13Å; I343-L415 HydrophobicContact CD1-CD2 3.83Å; I343-L415 HydrophobicContact CG1-CB 4.16Å; I343-L415 HydrophobicContact CG1-CD2 3.92Å; I343-L415 HydrophobicContact CG1-CG 4.45Å; I343-L415 HydrophobicContact CG2-CB 4.13Å
344F89.7Confident91.4Very high38 Ų3835.4 Ų35.417%0.16716%0.164CC..Hα-helixtrans-76.3-16.1-178.9-67.6-35.1000114.3T260 K264 E340 F341 F342 A411T260-F344 HydrophobicContact CG2-CD2 3.67Å; T260-F344 HydrophobicContact CG2-CE2 4.17Å; K264-F344 HydrophobicContact CB-CD2 4.38Å; K264-F344 HydrophobicContact CD-CD1 3.95Å; K264-F344 HydrophobicContact CD-CD2 4.22Å; K264-F344 HydrophobicContact CD-CE1 3.84Å; K264-F344 HydrophobicContact CD-CE2 4.13Å; K264-F344 HydrophobicContact CD-CG 4.15Å; K264-F344 HydrophobicContact CD-CZ 3.93Å; K264-F344 HydrophobicContact CG-CB 4.5Å; K264-F344 HydrophobicContact CG-CD1 4.32Å; K264-F344 HydrophobicContact CG-CD2 4.4Å; K264-F344 HydrophobicContact CG-CG 4.18Å; E340-F344 HydrophobicContact CG-CD2 3.96Å; E340-F344 HydrophobicContact CG-CE2 3.57Å; E340-F344 HydrophobicContact CG-CZ 4.23Å; E340-F344 PolarHBondContact O-N 3.21Å; E340-F344 VanDerWaalsContact O-N 3.09Å; F341-F344 PolarHBondContact O-N 3.29Å; F342-F344 PolarHBondContact O-N 3.47Å; F344-A411 HydrophobicContact CE1-CB 3.75Å; F344-A411 HydrophobicContact CE2-CB 4.32Å; F344-A411 HydrophobicContact CZ-CB 3.63Å
345N87.9Confident91.4Very high41 Ų4136.1 Ų36.122%0.21917%0.17CC..THydrogen-bonded Turntrans-119.731.1178-60.7-91.8000111K288 F341 F342 I343 D347K288-N345 WeakPolarHBondContact CE-OD1 3.34Å; F341-N345 WeakPolarHBondContact CD2-ND2 3.45Å; F341-N345 WeakPolarHBondContact CE2-ND2 3.4Å; F341-N345 PolarHBondContact O-N 2.91Å; F341-N345 VanDerWaalsContact O-N 3.12Å; F341-N345 PolarHBondContact O-ND2 2.98Å; F342-N345 CarbonylContact O-C 3.59Å; F342-N345 PolarHBondContact O-N 3.14Å; I343-N345 VanDerWaalsContact C-N 3.3Å; I343-N345 PolarHBondContact O-N 3.33Å; N345-D347 PolarHBondContact O-N 3.41Å
346F87Confident91.4Very high33 Ų3336.1 Ų36.115%0.14517%0.17CC..  trans-65.8123-177.2-165.2-96.7000109.6F342 D348 T352 M356 A430 L434F342-F346 VanDerWaalsContact O-CA 3.32Å; F342-F346 WeakPolarHBondContact O-CA 3.42Å; F342-F346 PolarHBondContact O-N 2.94Å; F346-D348 WeakPolarHBondContact CD1-OD1 3.43Å; F346-D348 WeakPolarHBondContact CE1-OD1 3.28Å; F346-T352 HydrophobicContact CD2-CG2 3.89Å; F346-T352 HydrophobicContact CE2-CG2 4.15Å; F346-M356 HydrophobicContact CD2-SD 3.95Å; F346-M356 HydrophobicContact CE2-SD 3.96Å; F346-A430 HydrophobicContact CZ-CB 4.11Å; F346-L434 HydrophobicContact CE2-CD1 4.03Å; F346-L434 HydrophobicContact CZ-CD1 4.28Å
347D82.5Confident91.5Very high62 Ų6237.5 Ų37.533%0.33218%0.177SC..  trans-117.521.5-169.463.57.1000113.2N345 R349 T352N345-D347 PolarHBondContact O-N 3.41Å; D347-R349 VanDerWaalsContact CG-NE 3.28Å; D347-R349 PolarHBondContact O-N 3.05Å; D347-R349 WeakPolarHBondContact OD1-CB 3.36Å; D347-R349 PolarHBondContact OD1-N 3.36Å; D347-R349 IonicContact OD1-NE 3.43Å; D347-R349 PolarHBondContact OD1-NE 3.45Å; D347-R349 IonicContact OD2-CZ 3.05Å; D347-R349 IonicContact OD2-NE 2.74Å; D347-R349 PolarHBondContact OD2-NE 2.88Å; D347-R349 IonicContact OD2-NH2 2.62Å; D347-R349 PolarHBondContact OD2-NH2 3.1Å; D347-T352 WeakPolarHBondContact OD1-CB 3.26Å; D347-T352 PolarHBondContact OD1-OG1 3.12Å
348D77.3Confident91.6Very high68 Ų6840.7 Ų40.736%0.36419%0.191SC..SBendtrans62.24.1173.9-55-37.4000115.9F346 N427 A430F346-D348 WeakPolarHBondContact CD1-OD1 3.43Å; F346-D348 WeakPolarHBondContact CE1-OD1 3.28Å; D348-N427 HydrophobicContact CB-CB 3.93Å; D348-N427 VanDerWaalsContact CB-CG 3.4Å; D348-N427 VanDerWaalsContact CB-OD1 3.27Å; D348-N427 WeakPolarHBondContact CB-OD1 3.24Å; D348-N427 PolarHBondContact OD1-ND2 3.47Å; D348-N427 PolarHBondContact OD2-ND2 3.46Å; D348-N427 PolarHBondContact OD2-OD1 2.75Å; D348-A430 WeakPolarHBondContact O-CB 3.43Å
349R86.3Confident91.7Very high142 Ų14240.7 Ų40.754%0.53619%0.191SC..  trans-78.3142.6176.2-65.4-171.6-64168.1-0.1111D347 E351 T352 A353D347-R349 VanDerWaalsContact CG-NE 3.28Å; D347-R349 PolarHBondContact O-N 3.05Å; D347-R349 WeakPolarHBondContact OD1-CB 3.36Å; D347-R349 PolarHBondContact OD1-N 3.36Å; D347-R349 IonicContact OD1-NE 3.43Å; D347-R349 PolarHBondContact OD1-NE 3.45Å; D347-R349 IonicContact OD2-CZ 3.05Å; D347-R349 IonicContact OD2-NE 2.74Å; D347-R349 PolarHBondContact OD2-NE 2.88Å; D347-R349 IonicContact OD2-NH2 2.62Å; D347-R349 PolarHBondContact OD2-NH2 3.1Å; R349-E351 WeakPolarHBondContact CB-OE2 3.11Å; R349-E351 PolarHBondContact O-N 2.89Å; R349-T352 PolarHBondContact O-N 3.25Å; R349-T352 VanDerWaalsContact O-N 3.17Å; R349-A353 PolarHBondContact O-N 3.42Å
350K90Very high91.7Very high126 Ų12642 Ų4255%0.54820%0.196SC..Hα-helixtrans-60.1-34.3176.8-165.3-173.1177.8-177.10111.2T352 A353 D354 L433K350-T352 VanDerWaalsContact C-N 3.31Å; K350-T352 PolarHBondContact O-N 3.14Å; K350-A353 PolarHBondContact O-N 2.86Å; K350-D354 WeakPolarHBondContact O-CB 3.46Å; K350-D354 PolarHBondContact O-N 3.39Å; K350-L433 HydrophobicContact CD-CD1 4.14Å; K350-L433 HydrophobicContact CG-CD1 3.38Å
351E90.9Very high91.9Very high119 Ų11944.9 Ų44.956%0.55621%0.214SC*.Hα-helixtrans-63.3-36179.7-64.872.5-160.700112.1R349 S355R349-E351 WeakPolarHBondContact CB-OE2 3.11Å; R349-E351 PolarHBondContact O-N 2.89Å; E351-S355 WeakPolarHBondContact O-CB 3.46Å; E351-S355 PolarHBondContact O-N 3.03Å; E351-S355 PolarHBondContact O-OG 2.64Å
352T92Very high92Very high7 Ų744.7 Ų44.74%0.04321%0.213CC..Hα-helixtrans-69.6-45177.3-58.50000110.5F342 F346 D347 R349 K350 S355 M356F342-T352 HydrophobicContact CB-CG2 4.47Å; F342-T352 HydrophobicContact CD1-CG2 4Å; F342-T352 HydrophobicContact CG-CG2 4.44Å; F346-T352 HydrophobicContact CD2-CG2 3.89Å; F346-T352 HydrophobicContact CE2-CG2 4.15Å; D347-T352 WeakPolarHBondContact OD1-CB 3.26Å; D347-T352 PolarHBondContact OD1-OG1 3.12Å; R349-T352 PolarHBondContact O-N 3.25Å; R349-T352 VanDerWaalsContact O-N 3.17Å; K350-T352 VanDerWaalsContact C-N 3.31Å; K350-T352 PolarHBondContact O-N 3.14Å; T352-S355 PolarHBondContact O-N 3.39Å; T352-M356 WeakPolarHBondContact O-CG 3.13Å; T352-M356 PolarHBondContact O-N 2.99Å
353A93.3Very high92.1Very high0 Ų045 Ų450%021%0.214CC..Hα-helixtrans-61-45.4173.200000112R349 K350 S355 M356 L357 A430 L433 L434R349-A353 PolarHBondContact O-N 3.42Å; K350-A353 PolarHBondContact O-N 2.86Å; A353-S355 VanDerWaalsContact C-N 3.33Å; A353-S355 PolarHBondContact O-N 3.02Å; A353-M356 PolarHBondContact O-N 2.95Å; A353-L357 WeakPolarHBondContact O-CG 3.49Å; A353-L357 PolarHBondContact O-N 3.31Å; A353-A430 HydrophobicContact CB-CB 4.16Å; A353-A430 WeakPolarHBondContact CB-O 3.17Å; A353-L433 HydrophobicContact CB-CB 4.47Å; A353-L433 HydrophobicContact CB-CD1 4.33Å; A353-L434 HydrophobicContact CB-CD1 4.33Å; A353-L434 HydrophobicContact CB-CD2 3.97Å; A353-L434 HydrophobicContact CB-CG 3.94Å
354D94.7Very high92.2Very high70 Ų7045.8 Ų45.837%0.37422%0.221SC..Hα-helixtrans-59-43.4176-175.270000111.9K350 M356 L357 K358K350-D354 WeakPolarHBondContact O-CB 3.46Å; K350-D354 PolarHBondContact O-N 3.39Å; D354-M356 VanDerWaalsContact C-N 3.35Å; D354-M356 PolarHBondContact O-N 3.49Å; D354-L357 PolarHBondContact O-N 2.92Å; D354-K358 WeakPolarHBondContact O-CB 3.48Å; D354-K358 WeakPolarHBondContact O-CG 3.43Å; D354-K358 PolarHBondContact O-N 2.91Å; D354-K358 WeakPolarHBondContact OD2-CE 3.24Å; D354-K358 IonicContact OD2-NZ 3.18Å; D354-K358 PolarHBondContact OD2-NZ 3.4Å
355S95.2Very high92.5Very high16 Ų1649.1 Ų49.111%0.11224%0.235CC..Hα-helixtrans-61.5-42.1176.4-59.80000111.9E351 T352 A353 K358 L359E351-S355 WeakPolarHBondContact O-CB 3.46Å; E351-S355 PolarHBondContact O-N 3.03Å; E351-S355 PolarHBondContact O-OG 2.64Å; T352-S355 PolarHBondContact O-N 3.39Å; A353-S355 VanDerWaalsContact C-N 3.33Å; A353-S355 PolarHBondContact O-N 3.02Å; S355-K358 PolarHBondContact O-N 2.88Å; S355-L359 WeakPolarHBondContact O-CB 3.34Å; S355-L359 WeakPolarHBondContact O-CG 3.13Å; S355-L359 PolarHBondContact O-N 2.81Å
356M95.8Very high92.8Very high0 Ų047.1 Ų47.10%022%0.224CC..Hα-helixtrans-63.3-41.6175.7-69.4171.86700112.1V339 F342 I343 F346 T352 A353 D354 L359 Y360 L415 L434 F440V339-M356 HydrophobicContact CG1-CE 4.3Å; F342-M356 HydrophobicContact CB-CG 3.62Å; F342-M356 HydrophobicContact CB-SD 3.84Å; F342-M356 HydrophobicContact CD2-CG 3.82Å; F342-M356 HydrophobicContact CG-CG 3.99Å; I343-M356 HydrophobicContact CD1-CE 4.46Å; I343-M356 HydrophobicContact CG1-CE 3.69Å; F346-M356 HydrophobicContact CD2-SD 3.95Å; F346-M356 HydrophobicContact CE2-SD 3.96Å; T352-M356 WeakPolarHBondContact O-CG 3.13Å; T352-M356 PolarHBondContact O-N 2.99Å; A353-M356 PolarHBondContact O-N 2.95Å; D354-M356 VanDerWaalsContact C-N 3.35Å; D354-M356 PolarHBondContact O-N 3.49Å; M356-L359 PolarHBondContact O-N 3.12Å; M356-Y360 WeakPolarHBondContact O-CB 3.22Å; M356-Y360 PolarHBondContact O-N 3.19Å; M356-L415 HydrophobicContact CE-CD1 4.23Å; M356-L415 HydrophobicContact CE-CD2 3.7Å; M356-L434 HydrophobicContact CB-CD2 4.39Å; M356-L434 HydrophobicContact CE-CD1 4.35Å; M356-L434 HydrophobicContact SD-CD1 4.41Å; M356-F440 HydrophobicContact CE-CZ 4.05Å
357L96.8Very high93.1Very high28 Ų2847 Ų4715%0.14723%0.225CC..Hα-helixtrans-67.9-37.7177.4-66.8179.4000112.4A353 D354 Y360 T361 L433 L434 E437 F440A353-L357 WeakPolarHBondContact O-CG 3.49Å; A353-L357 PolarHBondContact O-N 3.31Å; D354-L357 PolarHBondContact O-N 2.92Å; L357-Y360 PolarHBondContact O-N 3.34Å; L357-T361 WeakPolarHBondContact O-CB 3.5Å; L357-T361 PolarHBondContact O-N 2.68Å; L357-T361 PolarHBondContact O-OG1 3.04Å; L357-L433 HydrophobicContact CD1-CB 4.47Å; L357-L434 HydrophobicContact CD1-CD2 4.31Å; L357-L434 HydrophobicContact CD2-CD2 3.76Å; L357-L434 HydrophobicContact CG-CD2 3.76Å; L357-E437 HydrophobicContact CD2-CB 3.91Å; L357-E437 HydrophobicContact CD2-CG 3.98Å; L357-F440 HydrophobicContact CD2-CB 3.8Å; L357-F440 HydrophobicContact CD2-CD1 4.05Å; L357-F440 HydrophobicContact CD2-CD2 3.96Å; L357-F440 HydrophobicContact CD2-CG 3.66Å
358K97.3Very high93.6Very high68 Ų6849 Ų4930%0.29623%0.233SC..Hα-helixtrans-63.5-46172.8-77.2171.1172.6170.30112A299 D300 D354 S355 Y360 T361 L362A299-K358 HydrophobicContact CB-CB 4.01Å; A299-K358 HydrophobicContact CB-CD 4.35Å; A299-K358 WeakPolarHBondContact O-CB 3.27Å; D300-K358 IonicContact OD1-NZ 2.86Å; D300-K358 PolarHBondContact OD1-NZ 2.74Å; D354-K358 WeakPolarHBondContact O-CB 3.48Å; D354-K358 WeakPolarHBondContact O-CG 3.43Å; D354-K358 PolarHBondContact O-N 2.91Å; D354-K358 WeakPolarHBondContact OD2-CE 3.24Å; D354-K358 IonicContact OD2-NZ 3.18Å; D354-K358 PolarHBondContact OD2-NZ 3.4Å; S355-K358 PolarHBondContact O-N 2.88Å; K358-Y360 VanDerWaalsContact C-N 3.34Å; K358-Y360 PolarHBondContact O-N 2.96Å; K358-T361 WeakPolarHBondContact O-CB 2.97Å; K358-T361 PolarHBondContact O-N 3.15Å; K358-T361 VanDerWaalsContact O-N 3.16Å; K358-L362 PolarHBondContact O-N 3.31Å
359L97.4Very high94.3Very high0 Ų046.1 Ų46.10%022%0.217CC..Hα-helixtrans-57.4-47.4173.3-76.9-179.2000111.2V298 A299 V335 L338 V339 F342 S355 M356 T361 L362 W363V298-L359 HydrophobicContact CB-CD2 4.03Å; V298-L359 HydrophobicContact CG1-CD2 3.63Å; A299-L359 HydrophobicContact CB-CD2 4.18Å; A299-L359 HydrophobicContact CB-CG 4.07Å; V335-L359 HydrophobicContact CG1-CB 3.94Å; V335-L359 HydrophobicContact CG1-CD2 4.31Å; V335-L359 VanDerWaalsContact CG1-O 3.29Å; V335-L359 WeakPolarHBondContact CG1-O 2.75Å; L338-L359 HydrophobicContact CB-CD1 3.95Å; V339-L359 HydrophobicContact CG2-CB 3.84Å; V339-L359 HydrophobicContact CG2-CD1 3.89Å; F342-L359 HydrophobicContact CD2-CD1 3.76Å; F342-L359 HydrophobicContact CE2-CD1 3.61Å; S355-L359 WeakPolarHBondContact O-CB 3.34Å; S355-L359 WeakPolarHBondContact O-CG 3.13Å; S355-L359 PolarHBondContact O-N 2.81Å; M356-L359 PolarHBondContact O-N 3.12Å; L359-T361 VanDerWaalsContact C-N 3.32Å; L359-T361 PolarHBondContact O-N 2.87Å; L359-L362 PolarHBondContact O-N 3.31Å; L359-W363 PolarHBondContact O-N 3.16Å
360Y96.7Very high94.5Very high27 Ų2739.6 Ų39.611%0.10619%0.193CC..Hα-helixtrans-57.6-43.8174.3166.3-111.3000112.6M356 L357 K358 L362 W363 S364 N439 F440 W443M356-Y360 WeakPolarHBondContact O-CB 3.22Å; M356-Y360 PolarHBondContact O-N 3.19Å; L357-Y360 PolarHBondContact O-N 3.34Å; K358-Y360 VanDerWaalsContact C-N 3.34Å; K358-Y360 PolarHBondContact O-N 2.96Å; Y360-L362 VanDerWaalsContact C-N 3.3Å; Y360-L362 PolarHBondContact O-N 2.84Å; Y360-W363 HydrophobicContact CE2-CE3 4.45Å; Y360-W363 WeakPolarHBondContact O-CB 3.34Å; Y360-W363 PolarHBondContact O-N 3.45Å; Y360-S364 WeakPolarHBondContact O-CB 3.36Å; Y360-S364 PolarHBondContact O-N 3.37Å; Y360-N439 HydrophobicContact CE1-CB 3.88Å; Y360-N439 WeakPolarHBondContact OH-CB 3.13Å; Y360-N439 PolarHBondContact OH-O 3.48Å; Y360-N439 VanDerWaalsContact OH-O 3.12Å; Y360-F440 HydrophobicContact CD1-CB 3.99Å; Y360-F440 HydrophobicContact CD1-CD2 4.08Å; Y360-F440 HydrophobicContact CD2-CD2 4.23Å; Y360-F440 HydrophobicContact CE1-CB 4.22Å; Y360-F440 HydrophobicContact CG-CB 4.38Å; Y360-F440 AromaticContact CG-CD2 3.68Å; Y360-F440 HydrophobicContact CG-CD2 3.68Å; Y360-W443 HydrophobicContact CD2-CB 3.91Å; Y360-W443 AromaticContact CD2-CD2 3.42Å; Y360-W443 HydrophobicContact CD2-CD2 3.42Å; Y360-W443 VanDerWaalsContact CD2-CD2 3.42Å; Y360-W443 AromaticContact CD2-CE3 3.47Å; Y360-W443 HydrophobicContact CD2-CE3 3.47Å; Y360-W443 VanDerWaalsContact CD2-CE3 3.47Å; Y360-W443 AromaticContact CD2-CG 3.64Å; Y360-W443 HydrophobicContact CD2-CG 3.64Å; Y360-W443 HydrophobicContact CD2-CZ3 4.09Å; Y360-W443 HydrophobicContact CE2-CB 3.34Å; Y360-W443 AromaticContact CE2-CD1 3.93Å; Y360-W443 AromaticContact CE2-CD2 3.75Å; Y360-W443 HydrophobicContact CE2-CD2 3.75Å; Y360-W443 HydrophobicContact CE2-CE3 4.17Å; Y360-W443 AromaticContact CE2-CG 3.39Å; Y360-W443 HydrophobicContact CE2-CG 3.39Å; Y360-W443 HydrophobicContact CG-CE3 4.23Å
361T97.3Very high94.4Very high64 Ų6440.3 Ų40.339%0.39319%0.192SC..Hα-helixtrans-59.7-41.8177.8-600000111.3L357 K358 L359 S364 K365L357-T361 WeakPolarHBondContact O-CB 3.5Å; L357-T361 PolarHBondContact O-N 2.68Å; L357-T361 PolarHBondContact O-OG1 3.04Å; K358-T361 WeakPolarHBondContact O-CB 2.97Å; K358-T361 PolarHBondContact O-N 3.15Å; K358-T361 VanDerWaalsContact O-N 3.16Å; L359-T361 VanDerWaalsContact C-N 3.32Å; L359-T361 PolarHBondContact O-N 2.87Å; T361-S364 PolarHBondContact O-N 3.13Å; T361-K365 HydrophobicContact CG2-CD 4.41Å; T361-K365 VanDerWaalsContact O-CG 3.31Å; T361-K365 WeakPolarHBondContact O-CG 3.31Å; T361-K365 PolarHBondContact O-N 3.21Å
362L96.7Very high94.3Very high6 Ų640.4 Ų40.43%0.03119%0.192CC..Hα-helixtrans-66.4-42.8174.7-73.1170000112.4V298 S301 L303 F331 K358 L359 Y360 S364 K365 M366V298-L362 HydrophobicContact CG1-CD1 4.45Å; V298-L362 WeakPolarHBondContact O-CD1 3.38Å; S301-L362 WeakPolarHBondContact O-CD2 3.36Å; L303-L362 HydrophobicContact CD2-CD2 4.36Å; L303-L362 HydrophobicContact CG-CD2 4.5Å; F331-L362 HydrophobicContact CE1-CB 4.13Å; F331-L362 HydrophobicContact CZ-CB 4.11Å; K358-L362 PolarHBondContact O-N 3.31Å; L359-L362 PolarHBondContact O-N 3.31Å; Y360-L362 VanDerWaalsContact C-N 3.3Å; Y360-L362 PolarHBondContact O-N 2.84Å; L362-S364 VanDerWaalsContact C-N 3.32Å; L362-S364 PolarHBondContact O-N 3.31Å; L362-K365 PolarHBondContact O-N 3.43Å; L362-M366 PolarHBondContact O-N 3.42Å
363W96.1Very high94.1Very high20 Ų2046.1 Ų46.18%0.07621%0.213CC..Hα-helixtrans-57.2-47.3174.4-175.999.8000111L332 V335 E336 L359 Y360 M366 D367 W443L332-W363 HydrophobicContact CD2-CB 4.42Å; L332-W363 HydrophobicContact CD2-CD2 4Å; L332-W363 HydrophobicContact CD2-CG 3.75Å; L332-W363 VanDerWaalsContact CD2-O 3.25Å; L332-W363 WeakPolarHBondContact CD2-O 3.45Å; V335-W363 HydrophobicContact CB-CB 4.48Å; V335-W363 HydrophobicContact CG1-CB 3.82Å; V335-W363 HydrophobicContact CG1-CG 4.49Å; E336-W363 PolarHBondContact OE1-NE1 3.19Å; L359-W363 PolarHBondContact O-N 3.16Å; Y360-W363 HydrophobicContact CE2-CE3 4.45Å; Y360-W363 WeakPolarHBondContact O-CB 3.34Å; Y360-W363 PolarHBondContact O-N 3.45Å; W363-M366 PolarHBondContact O-N 2.87Å; W363-D367 HydrophobicContact CE3-CB 4.33Å; W363-D367 HydrophobicContact CH2-CB 4.03Å; W363-D367 HydrophobicContact CZ2-CB 4.46Å; W363-D367 HydrophobicContact CZ3-CB 3.97Å; W363-D367 PolarHBondContact O-N 3.02Å; W363-W443 HydrophobicContact CB-CZ2 4.32Å; W363-W443 AromaticContact CD1-CZ2 3.77Å; W363-W443 AromaticContact CD2-CE2 3.69Å; W363-W443 AromaticContact CD2-CZ2 3.8Å; W363-W443 HydrophobicContact CD2-CZ2 3.8Å; W363-W443 AromaticContact CD2-NE1 3.21Å; W363-W443 AromaticContact CE2-CE2 3.93Å; W363-W443 AromaticContact CE2-NE1 3.26Å; W363-W443 VanDerWaalsContact CE2-NE1 3.26Å; W363-W443 AromaticContact CE3-CD1 3.6Å; W363-W443 AromaticContact CE3-CE2 3.85Å; W363-W443 HydrophobicContact CE3-CG 4.48Å; W363-W443 HydrophobicContact CE3-CZ2 4.39Å; W363-W443 AromaticContact CE3-NE1 3.13Å; W363-W443 AromaticContact CG-CZ2 3.71Å; W363-W443 HydrophobicContact CG-CZ2 3.71Å; W363-W443 AromaticContact CH2-CD1 3.62Å; W363-W443 AromaticContact CH2-NE1 3.32Å; W363-W443 VanDerWaalsContact CH2-NE1 3.32Å; W363-W443 AromaticContact CZ2-NE1 3.33Å; W363-W443 VanDerWaalsContact CZ2-NE1 3.33Å; W363-W443 AromaticContact CZ3-CD1 3.32Å; W363-W443 HydrophobicContact CZ3-CG 4.45Å; W363-W443 AromaticContact CZ3-NE1 3.2Å; W363-W443 AromaticContact NE1-CZ2 3.9Å; W363-W443 AromaticContact NE1-NE1 3.98Å
364S95.1Very high93.6Very high27 Ų2747 Ų4719%0.18922%0.218CC..Hα-helixtrans-62.7-46.7-179.81730000111.6Y360 T361 L362 M366 D367 E368Y360-S364 WeakPolarHBondContact O-CB 3.36Å; Y360-S364 PolarHBondContact O-N 3.37Å; T361-S364 PolarHBondContact O-N 3.13Å; L362-S364 VanDerWaalsContact C-N 3.32Å; L362-S364 PolarHBondContact O-N 3.31Å; S364-M366 VanDerWaalsContact C-N 3.31Å; S364-M366 PolarHBondContact O-N 2.86Å; S364-D367 PolarHBondContact O-N 3.47Å; S364-E368 WeakPolarHBondContact O-CB 3.42Å; S364-E368 WeakPolarHBondContact O-CG 3.45Å; S364-E368 PolarHBondContact O-N 3.2Å
365K96.3Very high92.3Very high107 Ų10745 Ų4547%0.46521%0.213SC..Hα-helixtrans-57.6-42.6175.5-73.9172.6179.2177.40112.3L303 T361 L362 L369L303-K365 HydrophobicContact CD1-CB 3.85Å; T361-K365 HydrophobicContact CG2-CD 4.41Å; T361-K365 VanDerWaalsContact O-CG 3.31Å; T361-K365 WeakPolarHBondContact O-CG 3.31Å; T361-K365 PolarHBondContact O-N 3.21Å; L362-K365 PolarHBondContact O-N 3.43Å; K365-L369 WeakPolarHBondContact O-CB 3.35Å; K365-L369 PolarHBondContact O-N 3.5Å
366M94.9Very high90.3Very high0 Ų047.9 Ų47.90%023%0.232CC..Hα-helixtrans-69.8-43.2179.7-174.673.7-129.400112L303 L308 Y314 G328 F331 L332 L362 W363 S364 L369 L370L303-M366 HydrophobicContact CD1-CB 4.31Å; L303-M366 HydrophobicContact CD1-SD 4.38Å; L303-M366 HydrophobicContact CD2-CB 4.06Å; L303-M366 HydrophobicContact CD2-SD 4.18Å; L308-M366 HydrophobicContact CB-SD 4.03Å; L308-M366 HydrophobicContact CD1-SD 4.14Å; Y314-M366 HydrophobicContact CE1-CE 3.91Å; G328-M366 VanDerWaalsContact CA-CE 3.48Å; F331-M366 HydrophobicContact CD1-CB 3.96Å; F331-M366 HydrophobicContact CD1-CG 3.88Å; F331-M366 HydrophobicContact CD1-SD 4.42Å; F331-M366 HydrophobicContact CE1-CB 4.27Å; L332-M366 HydrophobicContact CD2-CB 3.74Å; L332-M366 HydrophobicContact CD2-CG 3.88Å; L332-M366 HydrophobicContact CG-CB 4.37Å; L332-M366 HydrophobicContact CG-CG 3.95Å; L362-M366 PolarHBondContact O-N 3.42Å; W363-M366 PolarHBondContact O-N 2.87Å; S364-M366 VanDerWaalsContact C-N 3.31Å; S364-M366 PolarHBondContact O-N 2.86Å; M366-L369 HydrophobicContact CE-CD2 4.18Å; M366-L369 PolarHBondContact O-N 3.22Å; M366-L370 HydrophobicContact CE-CD1 3.97Å; M366-L370 HydrophobicContact CE-CD2 3.56Å; M366-L370 HydrophobicContact CE-CG 3.47Å; M366-L370 VanDerWaalsContact CE-CG 3.47Å; M366-L370 WeakPolarHBondContact O-CG 3.44Å; M366-L370 PolarHBondContact O-N 2.7Å
367D92.3Very high87.7Confident29 Ų2958.9 Ų58.916%0.15527%0.274CS..Hα-helixtrans-62.3-42.8176.4176.956.6000111.1L332 W363 S364 L370 R371L332-D367 HydrophobicContact CD2-CB 4.25Å; W363-D367 HydrophobicContact CE3-CB 4.33Å; W363-D367 HydrophobicContact CH2-CB 4.03Å; W363-D367 HydrophobicContact CZ2-CB 4.46Å; W363-D367 HydrophobicContact CZ3-CB 3.97Å; W363-D367 PolarHBondContact O-N 3.02Å; S364-D367 PolarHBondContact O-N 3.47Å; D367-L370 PolarHBondContact O-N 3.06Å; D367-R371 VanDerWaalsContact CG-NE 3.32Å; D367-R371 WeakPolarHBondContact O-CB 3.27Å; D367-R371 WeakPolarHBondContact O-CG 3.33Å; D367-R371 PolarHBondContact O-N 3.36Å; D367-R371 IonicContact OD1-CZ 2.89Å; D367-R371 IonicContact OD1-NE 3.3Å; D367-R371 PolarHBondContact OD1-NE 3.27Å; D367-R371 IonicContact OD1-NH2 3.67Å; D367-R371 PolarHBondContact OD1-NH2 3.01Å; D367-R371 IonicContact OD2-CZ 3.77Å; D367-R371 IonicContact OD2-NE 2.93Å; D367-R371 PolarHBondContact OD2-NE 3.24Å; D367-R371 IonicContact OD2-NH1 2.81Å; D367-R371 IonicContact OD2-NH2 3.93Å; D367-R371 PolarHBondContact OD2-NH2 3.38Å
368E92.4Very high84.9Confident106 Ų10660.5 Ų60.550%0.49529%0.292SS..Hα-helixtrans-59.7-48.2173.2-74.7-178.4175.100111.9S364 L370 R371 E372S364-E368 WeakPolarHBondContact O-CB 3.42Å; S364-E368 WeakPolarHBondContact O-CG 3.45Å; S364-E368 PolarHBondContact O-N 3.2Å; E368-L370 PolarHBondContact O-N 3.11Å; E368-R371 PolarHBondContact O-N 3.39Å; E368-E372 WeakPolarHBondContact O-CB 3.42Å; E368-E372 WeakPolarHBondContact O-CG 3.46Å; E368-E372 PolarHBondContact O-N 3.34Å
369L93.2Very high82.1Confident7 Ų761.6 Ų61.64%0.03730%0.298CS..Hα-helixtrans-58.2-46.8178.2-179.662.2000111.9L303 L308 K310 Y314 K365 M366 R371 E372 R373L303-L369 HydrophobicContact CD1-CD2 4.47Å; L308-L369 WeakPolarHBondContact O-CD2 3.47Å; K310-L369 HydrophobicContact CG-CD1 3.65Å; Y314-L369 HydrophobicContact CE2-CD2 3.93Å; Y314-L369 HydrophobicContact CE2-CG 4.19Å; Y314-L369 WeakPolarHBondContact OH-CD2 3.35Å; K365-L369 WeakPolarHBondContact O-CB 3.35Å; K365-L369 PolarHBondContact O-N 3.5Å; M366-L369 HydrophobicContact CE-CD2 4.18Å; M366-L369 PolarHBondContact O-N 3.22Å; L369-R371 PolarHBondContact O-N 2.85Å; L369-E372 PolarHBondContact O-N 3.02Å; L369-R373 HydrophobicContact CD1-CG 3.97Å; L369-R373 HydrophobicContact CG-CG 4.48Å; L369-R373 WeakPolarHBondContact O-CB 3.39Å; L369-R373 VanDerWaalsContact O-CG 3.23Å; L369-R373 WeakPolarHBondContact O-CG 3.48Å; L369-R373 PolarHBondContact O-N 3.42Å
370L90.6Very high79.1Confident4 Ų469.1 Ų69.12%0.02133%0.33CS..Hα-helixtrans-63.3-41.9176.7-69.9177.8000111.5Y314 Y329 L332 M366 D367 E368 E372 R373 L374Y314-L370 HydrophobicContact CD1-CD2 3.83Å; Y314-L370 HydrophobicContact CE1-CD2 3.91Å; Y329-L370 HydrophobicContact CD1-CD1 3.8Å; Y329-L370 HydrophobicContact CD2-CD1 4.46Å; Y329-L370 HydrophobicContact CE1-CD1 3.79Å; Y329-L370 HydrophobicContact CE2-CD1 4.44Å; Y329-L370 HydrophobicContact CG-CD1 4.15Å; L332-L370 HydrophobicContact CD1-CD1 3.82Å; M366-L370 HydrophobicContact CE-CD1 3.97Å; M366-L370 HydrophobicContact CE-CD2 3.56Å; M366-L370 HydrophobicContact CE-CG 3.47Å; M366-L370 VanDerWaalsContact CE-CG 3.47Å; M366-L370 WeakPolarHBondContact O-CG 3.44Å; M366-L370 PolarHBondContact O-N 2.7Å; D367-L370 PolarHBondContact O-N 3.06Å; E368-L370 PolarHBondContact O-N 3.11Å; L370-E372 PolarHBondContact O-N 3.16Å; L370-R373 PolarHBondContact O-N 3.2Å; L370-L374 HydrophobicContact CB-CD1 4.31Å; L370-L374 HydrophobicContact CD2-CD1 4.35Å; L370-L374 WeakPolarHBondContact O-CB 3.42Å; L370-L374 VanDerWaalsContact O-CG 3.22Å; L370-L374 WeakPolarHBondContact O-CG 3.38Å; L370-L374 PolarHBondContact O-N 3.23Å
371R87.5Confident76Confident141 Ų14177.8 Ų77.853%0.53236%0.363SS..Hα-helixtrans-64.2-40.4177.9-74173-174.3-164.75.9112.6D367 E368 L369 G375D367-R371 VanDerWaalsContact CG-NE 3.32Å; D367-R371 WeakPolarHBondContact O-CB 3.27Å; D367-R371 WeakPolarHBondContact O-CG 3.33Å; D367-R371 PolarHBondContact O-N 3.36Å; D367-R371 IonicContact OD1-CZ 2.89Å; D367-R371 IonicContact OD1-NE 3.3Å; D367-R371 PolarHBondContact OD1-NE 3.27Å; D367-R371 IonicContact OD1-NH2 3.67Å; D367-R371 PolarHBondContact OD1-NH2 3.01Å; D367-R371 IonicContact OD2-CZ 3.77Å; D367-R371 IonicContact OD2-NE 2.93Å; D367-R371 PolarHBondContact OD2-NE 3.24Å; D367-R371 IonicContact OD2-NH1 2.81Å; D367-R371 IonicContact OD2-NH2 3.93Å; D367-R371 PolarHBondContact OD2-NH2 3.38Å; E368-R371 PolarHBondContact O-N 3.39Å; L369-R371 PolarHBondContact O-N 2.85Å; R371-G375 PolarHBondContact O-N 3.44Å
372E88.5Confident73.1Confident121 Ų12182.3 Ų82.357%0.56538%0.377SS*.Hα-helixtrans-62.9-48.4175.6-75.7-177.9174.200111.1K310 E368 L369 L370K310-E372 IonicContact NZ-OE2 2.67Å; E368-E372 WeakPolarHBondContact O-CB 3.42Å; E368-E372 WeakPolarHBondContact O-CG 3.46Å; E368-E372 PolarHBondContact O-N 3.34Å; L369-E372 PolarHBondContact O-N 3.02Å; L370-E372 PolarHBondContact O-N 3.16Å
373R87.7Confident70.1Confident127 Ų12785.8 Ų85.848%0.47940%0.395SS..Hα-helixtrans-79.4-35.8-173.3-65-63.9-167.4-177.24.5114K310 Y314 L369 L370 G375K310-R373 PolarHBondContact O-NH2 3.34Å; Y314-R373 HydrophobicContact CD2-CB 4.3Å; Y314-R373 HydrophobicContact CD2-CG 3.88Å; Y314-R373 HydrophobicContact CG-CB 4.25Å; Y314-R373 HydrophobicContact CG-CG 4.33Å; L369-R373 HydrophobicContact CD1-CG 3.97Å; L369-R373 HydrophobicContact CG-CG 4.48Å; L369-R373 WeakPolarHBondContact O-CB 3.39Å; L369-R373 VanDerWaalsContact O-CG 3.23Å; L369-R373 WeakPolarHBondContact O-CG 3.48Å; L369-R373 PolarHBondContact O-N 3.42Å; L370-R373 PolarHBondContact O-N 3.2Å; R373-G375 VanDerWaalsContact C-N 3.34Å
374L83Confident67.1Low20 Ų2090.6 Ų90.611%0.10542%0.422CS..Hα-helixtrans-87.9-4.5-179.9-56.3179.2000112.9T325 Y329 L370T325-L374 HydrophobicContact CG2-CD1 4.02Å; T325-L374 HydrophobicContact CG2-CD2 4.2Å; Y329-L374 HydrophobicContact CE2-CD1 4.2Å; Y329-L374 WeakPolarHBondContact OH-CD1 3.47Å; L370-L374 HydrophobicContact CB-CD1 4.31Å; L370-L374 HydrophobicContact CD2-CD1 4.35Å; L370-L374 WeakPolarHBondContact O-CB 3.42Å; L370-L374 VanDerWaalsContact O-CG 3.22Å; L370-L374 WeakPolarHBondContact O-CG 3.38Å; L370-L374 PolarHBondContact O-N 3.23Å
375G66.5Low64.2Low26 Ų2693.7 Ų93.727%0.26844%0.443SS..THydrogen-bonded Turntrans70.935.2166.900000114.9R371 R373 R377 A378R371-G375 PolarHBondContact O-N 3.44Å; R373-G375 VanDerWaalsContact C-N 3.34Å; G375-R377 PolarHBondContact O-N 3.27Å; G375-A378 WeakPolarHBondContact O-CB 3.46Å; G375-A378 PolarHBondContact O-N 3.49Å
376C53.1Low61.3Low77 Ų7791.5 Ų91.552%0.5245%0.446SS..Hα-helixtrans-52.5-22.4179.1-74.80000114.1
377R41.9Very low58.4Low231 Ų23197.7 Ų97.787%0.87248%0.475SS*.Hα-helixtrans-71-26.7172.7-67.4-173.9-174.7-173.43114.3G375G375-R377 PolarHBondContact O-N 3.27Å
378A39.2Very low55.7Low63 Ų63101.2 Ų101.252%0.52150%0.501SS..Hα-helixtrans-82.3-33.8178.300000112.6G375G375-A378 WeakPolarHBondContact O-CB 3.46Å; G375-A378 PolarHBondContact O-N 3.49Å
379Q37.2Very low52.9Low91 Ų91104.6 Ų104.643%0.42552%0.517SS..Hα-helixtrans-68.1-39.6179.7-132.888.5-15.100112.4R381 K382 L383Q379-R381 VanDerWaalsContact C-N 3.29Å; Q379-R381 PolarHBondContact O-N 3.49Å; Q379-K382 PolarHBondContact O-N 2.63Å; Q379-K382 VanDerWaalsContact O-N 3.1Å; Q379-L383 HydrophobicContact CB-CD1 4.46Å; Q379-L383 HydrophobicContact CG-CD1 4.27Å; Q379-L383 PolarHBondContact O-N 3.15Å
380K33.9Very low49.9Very low157 Ų157111 Ų11168%0.68355%0.549SS*.Hα-helixtrans-62.7-31.3-177.4-157.2174-175.91790113.1L384K380-L384 PolarHBondContact O-N 3.31Å
381R32.7Very low46.9Very low210 Ų210113.5 Ų113.579%0.79258%0.575SS**Hα-helixtrans-76-28.1174.7-68.2-174-163.1169.14.9113.6Q379Q379-R381 VanDerWaalsContact C-N 3.29Å; Q379-R381 PolarHBondContact O-N 3.49Å
382K36.2Very low44.1Very low158 Ų158115.5 Ų115.569%0.68759%0.592SS**Hα-helixtrans-81.6-28.2174.3-77.4-176.9176178.60112.7Q379 S385Q379-K382 PolarHBondContact O-N 2.63Å; Q379-K382 VanDerWaalsContact O-N 3.1Å; K382-S385 PolarHBondContact O-N 3.46Å; K382-S385 PolarHBondContact O-OG 3.04Å
383L33.3Very low41.2Very low79 Ų79115.2 Ų115.241%0.41460%0.604SS.*Hα-helixtrans-67.4-43.3176.2-95.9141.4000112.5Q379 S385 A386 E387Q379-L383 HydrophobicContact CB-CD1 4.46Å; Q379-L383 HydrophobicContact CG-CD1 4.27Å; Q379-L383 PolarHBondContact O-N 3.15Å; L383-S385 PolarHBondContact O-N 2.96Å; L383-S385 VanDerWaalsContact O-N 3.13Å; L383-A386 PolarHBondContact O-N 3.42Å; L383-E387 VanDerWaalsContact O-CG 3.32Å; L383-E387 WeakPolarHBondContact O-CG 3.07Å; L383-E387 PolarHBondContact O-N 3.43Å
384L34.2Very low38.5Very low122 Ų122117.5 Ų117.564%0.63962%0.617SS**THydrogen-bonded Turntrans-61.6-22.1176.3-72.3162.2000113.9K380K380-L384 PolarHBondContact O-N 3.31Å
385S33.8Very low35.8Very low91 Ų91120.4 Ų120.464%0.63663%0.633SS**THydrogen-bonded Turntrans-89.8-10.6175.354.30000114.7K382 L383K382-S385 PolarHBondContact O-N 3.46Å; K382-S385 PolarHBondContact O-OG 3.04Å; L383-S385 PolarHBondContact O-N 2.96Å; L383-S385 VanDerWaalsContact O-N 3.13Å
386A35.9Very low34Very low62 Ų62129.3 Ų129.351%0.51266%0.658SS.*THydrogen-bonded Turntrans-112.8-5.5-176.400000113.7L383 S388L383-A386 PolarHBondContact O-N 3.42Å; A386-S388 PolarHBondContact O-N 3.39Å; A386-S388 VanDerWaalsContact O-N 3.12Å
387E34.3Very low32.7Very low130 Ų130130.4 Ų130.461%0.60766%0.663SS**THydrogen-bonded Turntrans-66.3-6.6-178.6-84.8164.2-173.500114.7L383L383-E387 VanDerWaalsContact O-CG 3.32Å; L383-E387 WeakPolarHBondContact O-CG 3.07Å; L383-E387 PolarHBondContact O-N 3.43Å
388S34.4Very low32Very low102 Ų102123.1 Ų123.171%0.71364%0.644SS**THydrogen-bonded Turntrans-90.6-5.2-179.9590000115.6A386A386-S388 PolarHBondContact O-N 3.39Å; A386-S388 VanDerWaalsContact O-N 3.12Å
389Q33.3Very low31.6Very low177 Ų177124.8 Ų124.883%0.82764%0.637SS**SBendtrans-139.21.8-168.8-76-170.3-15.500118.6
390M30.1Very low31.3Very low143 Ų143124.2 Ų124.270%0.70464%0.637SS**SBendtrans-142.7124.1179.5-109.9166.467.700113.5M392 L395M390-M392 PolarHBondContact O-N 2.81Å; M390-L395 HydrophobicContact CE-CD1 3.78Å
391G27.7Very low31.4Very low55 Ų55117.4 Ų117.457%0.56761%0.611SS**  trans-53.5132.3-176.400000114.3S393 K394G391-S393 PolarHBondContact O-N 2.62Å; G391-K394 PolarHBondContact O-N 3.07Å
392M29.3Very low31.8Very low183 Ų183111.4 Ų111.490%0.90160%0.602SS**THydrogen-bonded Turntrans-58.5-9.8-172.8-72.8-153.8-72.900116.3M390M390-M392 PolarHBondContact O-N 2.81Å
393S28.3Very low32.6Very low115 Ų115104.4 Ų104.480%0.80457%0.574SS**THydrogen-bonded Turntrans-89-6.6-175.249.70000115G391G391-S393 PolarHBondContact O-N 2.62Å
394K30Very low34.1Very low175 Ų175107 Ų10776%0.76158%0.578SS**SBendtrans-113.91.1-175.9-74.3-177.2179.5173.70116.2G391G391-K394 PolarHBondContact O-N 3.07Å
395L27Very low36.2Very low82 Ų82101.7 Ų101.743%0.42955%0.551SS.*SBendtrans-104.3-2.4-179.6-103.9109000115.7M390 T397 T398M390-L395 HydrophobicContact CE-CD1 3.78Å; L395-T397 PolarHBondContact O-N 3.17Å; L395-T398 PolarHBondContact O-OG1 2.81Å; L395-T398 VanDerWaalsContact O-OG1 3.13Å
396R27.9Very low38.7Very low212 Ų21297.8 Ų97.880%0.852%0.523SS*.THydrogen-bonded Turntrans-77.86.1176.3-81.3-173.2170.6-169-2.6115
397T26.7Very low41.2Very low101 Ų10194.8 Ų94.862%0.6250%0.499SS*.THydrogen-bonded Turntrans-110.120.4179.456.50000113.8R174 L395R174-T397 PolarHBondContact NH2-O 2.95Å; L395-T397 PolarHBondContact O-N 3.17Å
398T25.8Very low43.8Very low78 Ų7890.1 Ų90.148%0.47948%0.48SS..SBendtrans-91.4127.2171520000108.5L395L395-T398 PolarHBondContact O-OG1 2.81Å; L395-T398 VanDerWaalsContact O-OG1 3.13Å
399Y31.5Very low46.5Very low98 Ų9885.6 Ų85.638%0.38445%0.448SS..  trans75.888.6-168.4-53.9-86.1000116.1H316 G401 S402H316-Y399 AromaticContact CE1-CE1 3.9Å; H316-Y399 AromaticContact NE2-CE1 3.62Å; Y399-G401 PolarHBondContact O-N 3.35Å; Y399-S402 PolarHBondContact O-N 3.37Å
400D32.1Very low49.1Very low78 Ų7878.5 Ų78.542%0.41742%0.418SS..THydrogen-bonded Turntrans-71.810.9166.89356.9000114.4Y179 K186Y179-D400 PolarHBondContact OH-OD2 3.13Å; K186-D400 PolarHBondContact NZ-O 3.01Å; K186-D400 IonicContact NZ-OD1 3.25Å; K186-D400 PolarHBondContact NZ-OD1 3.41Å
401G35.4Very low52.1Low14 Ų1471.7 Ų71.714%0.14438%0.384CS..THydrogen-bonded Turntrans-98.47.8167.300000114.9Y329 Y399 A403Y329-G401 WeakPolarHBondContact CB-O 3Å; Y329-G401 WeakPolarHBondContact CD1-O 3.32Å; Y329-G401 WeakPolarHBondContact CD2-O 3.25Å; Y329-G401 WeakPolarHBondContact CE1-O 3.45Å; Y329-G401 WeakPolarHBondContact CE2-O 3.45Å; Y399-G401 PolarHBondContact O-N 3.35Å; G401-A403 PolarHBondContact O-N 2.97Å
402S41Very low55.1Low84 Ų8469 Ų6959%0.58736%0.357SS*.  trans-59.4114.7170.9168.30000110.2Y399 R404Y399-S402 PolarHBondContact O-N 3.37Å; S402-R404 PolarHBondContact O-N 3.2Å
403A51.9Low58.1Low12 Ų1260.6 Ų60.610%0.09932%0.316CS..  trans-60100.2168.900000107.7Y329 L332 G401 C405 R450Y329-A403 HydrophobicContact CD1-CB 4.34Å; L332-A403 HydrophobicContact CB-CB 4.26Å; G401-A403 PolarHBondContact O-N 2.97Å; A403-C405 PolarHBondContact O-N 3.12Å; A403-R450 PolarHBondContact O-NH2 3.27Å
404R66.4Low61.1Low134 Ų13457.2 Ų57.251%0.50629%0.292SS..  trans-56129.2168.1-76.1-179.3171.4-178.3-10.4106.6E191 S402 C406E191-R404 IonicContact OE1-CZ 3.97Å; E191-R404 IonicContact OE1-NH1 3Å; E191-R404 PolarHBondContact OE1-NH1 3.39Å; S402-R404 PolarHBondContact O-N 3.2Å; R404-C406 PolarHBondContact O-N 3.4Å; R404-C406 PolarHBondContact O-SG 2.76Å; R404-C406 VanDerWaalsContact O-SG 3.34Å
405C77.4Confident64Low10 Ų1049 Ų497%0.06826%0.256CS..  trans-54.4115.1178.2-1760000108.9E336 A403 R450 R451E336-C405 VanDerWaalsContact OE2-CA 3.31Å; E336-C405 WeakPolarHBondContact OE2-CA 3.46Å; A403-C405 PolarHBondContact O-N 3.12Å; C405-R450 HydrophobicContact CB-CB 4.18Å; C405-R451 HydrophobicContact CB-CB 4.42Å; C405-R451 PolarHBondContact O-NH1 3.06Å
406C85.8Confident67.1Low8 Ų845 Ų455%0.05424%0.236CC..  trans-83.6-25.2-178-70.30000112S257 E336 A337 E340 R404 S408S257-C406 PolarHBondContact OG-O 2.94Å; S257-C406 VanDerWaalsContact OG-O 3.1Å; E336-C406 HydrophobicContact CB-CB 4.12Å; E336-C406 PolarHBondContact OE2-N 2.87Å; A337-C406 HydrophobicContact CB-CB 4.11Å; E340-C406 VanDerWaalsContact OE2-O 3.1Å; R404-C406 PolarHBondContact O-N 3.4Å; R404-C406 PolarHBondContact O-SG 2.76Å; R404-C406 VanDerWaalsContact O-SG 3.34Å; C406-S408 PolarHBondContact O-N 3.14Å
407V89.6Confident70Confident0 Ų036.5 Ų36.50%021%0.209CC..SBendtrans-69.6127.1178.1-165.10000110.7E336 E340 A411 I412 L447E336-V407 HydrophobicContact CB-CG2 3.84Å; E336-V407 HydrophobicContact CG-CG2 4.32Å; E336-V407 WeakPolarHBondContact O-CG2 3.45Å; E340-V407 HydrophobicContact CB-CG1 4.25Å; V407-A411 HydrophobicContact CG1-CB 3.88Å; V407-I412 HydrophobicContact CB-CD1 4.45Å; V407-I412 HydrophobicContact CB-CG1 4.41Å; V407-I412 HydrophobicContact CG1-CD1 4.2Å; V407-I412 HydrophobicContact CG1-CG1 3.66Å; V407-L447 HydrophobicContact CB-CD1 4.49Å; V407-L447 HydrophobicContact CG2-CD1 3.9Å
408S89.1Confident72.8Confident31 Ų3134.1 Ų34.122%0.21719%0.192CC..  trans-70.1154.8172.965.30000112.5E340 C406 S410 A411 I412E340-S408 WeakPolarHBondContact OE1-CB 3.22Å; E340-S408 PolarHBondContact OE1-N 3.21Å; E340-S408 PolarHBondContact OE1-OG 3.4Å; C406-S408 PolarHBondContact O-N 3.14Å; S408-S410 PolarHBondContact O-N 3.11Å; S408-A411 PolarHBondContact O-N 3.1Å; S408-A411 WeakPolarHBondContact OG-CB 3.1Å; S408-A411 PolarHBondContact OG-N 3.24Å; S408-A411 VanDerWaalsContact OG-N 3.15Å; S408-I412 WeakPolarHBondContact O-CG1 3.31Å; S408-I412 PolarHBondContact O-N 3.34Å
409I89.1Confident75.8Confident8 Ų830.6 Ų30.64%0.04117%0.17CC..Hα-helixtrans-60.8-39.3173.3-57.6-176.1000110A411 I412 V413 R451 L452 L455 V464 D467 I468 L471I409-A411 VanDerWaalsContact C-N 3.35Å; I409-A411 PolarHBondContact O-N 2.72Å; I409-I412 PolarHBondContact O-N 3.08Å; I409-V413 HydrophobicContact CG2-CG2 4.04Å; I409-V413 WeakPolarHBondContact O-CB 3.34Å; I409-V413 WeakPolarHBondContact O-CG2 3.46Å; I409-V413 PolarHBondContact O-N 3.41Å; I409-R451 HydrophobicContact CD1-CG 4.08Å; I409-R451 HydrophobicContact CG1-CB 4.25Å; I409-R451 HydrophobicContact CG1-CG 3.58Å; I409-L452 HydrophobicContact CD1-CD2 3.82Å; I409-L452 HydrophobicContact CD1-CG 4.4Å; I409-L455 HydrophobicContact CD1-CD1 3.74Å; I409-L455 HydrophobicContact CD1-CD2 4.37Å; I409-L455 HydrophobicContact CD1-CG 4.4Å; I409-V464 HydrophobicContact CD1-CG1 4.48Å; I409-D467 HydrophobicContact CG2-CB 3.93Å; I409-I468 HydrophobicContact CD1-CD1 4.35Å; I409-I468 HydrophobicContact CD1-CG1 4.05Å; I409-I468 HydrophobicContact CG2-CG1 4.39Å; I409-L471 HydrophobicContact CG2-CD2 4.41Å
410S89.4Confident78.4Confident27 Ų2728.3 Ų28.319%0.18916%0.162CC..Hα-helixtrans-57.7-43.7177.1-171.60000112.5K264 S408 V413 S414 D467K264-S410 PolarHBondContact NZ-OG 3.18Å; S408-S410 PolarHBondContact O-N 3.11Å; S410-V413 PolarHBondContact O-N 2.8Å; S410-S414 VanDerWaalsContact O-CB 3.28Å; S410-S414 WeakPolarHBondContact O-CB 3.49Å; S410-S414 PolarHBondContact O-N 2.95Å; S410-S414 PolarHBondContact O-OG 3.25Å; S410-D467 WeakPolarHBondContact CA-OD2 3.39Å; S410-D467 WeakPolarHBondContact CB-OD2 3.41Å; S410-D467 PolarHBondContact N-OD2 2.85Å; S410-D467 PolarHBondContact OG-OD2 3.1Å
411A91.9Very high80.7Confident0 Ų026.6 Ų26.60%016%0.156CC..Hα-helixtrans-62.7-48.6175.400000111.5E340 I343 F344 V407 S408 I409 V413 S414 L415E340-A411 HydrophobicContact CG-CB 3.85Å; I343-A411 HydrophobicContact CB-CB 4.44Å; I343-A411 HydrophobicContact CD1-CB 4.23Å; I343-A411 HydrophobicContact CG2-CB 3.99Å; I343-A411 WeakPolarHBondContact CG2-O 3.15Å; F344-A411 HydrophobicContact CE1-CB 3.75Å; F344-A411 HydrophobicContact CE2-CB 4.32Å; F344-A411 HydrophobicContact CZ-CB 3.63Å; V407-A411 HydrophobicContact CG1-CB 3.88Å; S408-A411 PolarHBondContact O-N 3.1Å; S408-A411 WeakPolarHBondContact OG-CB 3.1Å; S408-A411 PolarHBondContact OG-N 3.24Å; S408-A411 VanDerWaalsContact OG-N 3.15Å; I409-A411 VanDerWaalsContact C-N 3.35Å; I409-A411 PolarHBondContact O-N 2.72Å; A411-V413 VanDerWaalsContact C-N 3.32Å; A411-V413 PolarHBondContact O-N 2.8Å; A411-S414 PolarHBondContact O-N 3.49Å; A411-L415 PolarHBondContact O-N 3.42Å
412I92.5Very high82.1Confident0 Ų036.3 Ų36.30%019%0.194CC..Hα-helixtrans-58.5-47.3179-61.3167.4000110.4V407 S408 I409 S414 L415 L416 L447 A448 L471V407-I412 HydrophobicContact CB-CD1 4.45Å; V407-I412 HydrophobicContact CB-CG1 4.41Å; V407-I412 HydrophobicContact CG1-CD1 4.2Å; V407-I412 HydrophobicContact CG1-CG1 3.66Å; S408-I412 WeakPolarHBondContact O-CG1 3.31Å; S408-I412 PolarHBondContact O-N 3.34Å; I409-I412 PolarHBondContact O-N 3.08Å; I412-S414 PolarHBondContact O-N 2.75Å; I412-L415 PolarHBondContact O-N 2.96Å; I412-L416 HydrophobicContact CG2-CD1 3.75Å; I412-L416 HydrophobicContact CG2-CG 4.19Å; I412-L416 WeakPolarHBondContact O-CB 3.46Å; I412-L416 VanDerWaalsContact O-CG 3.25Å; I412-L416 WeakPolarHBondContact O-CG 3.2Å; I412-L416 PolarHBondContact O-N 3.08Å; I412-L447 HydrophobicContact CD1-CB 3.96Å; I412-A448 HydrophobicContact CD1-CB 3.98Å; I412-A448 HydrophobicContact CG2-CB 4.17Å; I412-L471 HydrophobicContact CG2-CD1 4.4Å
413V91.4Very high83.1Confident6 Ų635.7 Ų35.74%0.03619%0.19CC..Hα-helixtrans-63.3-41.3178.3168.20000111.7I409 S410 A411 L415 L416 S417 D467 V470 L471I409-V413 HydrophobicContact CG2-CG2 4.04Å; I409-V413 WeakPolarHBondContact O-CB 3.34Å; I409-V413 WeakPolarHBondContact O-CG2 3.46Å; I409-V413 PolarHBondContact O-N 3.41Å; S410-V413 PolarHBondContact O-N 2.8Å; A411-V413 VanDerWaalsContact C-N 3.32Å; A411-V413 PolarHBondContact O-N 2.8Å; V413-L415 PolarHBondContact O-N 3.28Å; V413-L416 PolarHBondContact O-N 3.29Å; V413-S417 VanDerWaalsContact O-CB 3.24Å; V413-S417 WeakPolarHBondContact O-CB 3.34Å; V413-S417 PolarHBondContact O-N 2.98Å; V413-S417 PolarHBondContact O-OG 3.45Å; V413-D467 HydrophobicContact CB-CB 4.48Å; V413-D467 HydrophobicContact CG2-CB 4.06Å; V413-D467 VanDerWaalsContact CG2-O 3.29Å; V413-D467 WeakPolarHBondContact CG2-O 3.18Å; V413-V470 HydrophobicContact CG1-CB 3.85Å; V413-V470 HydrophobicContact CG1-CG1 3.56Å; V413-L471 HydrophobicContact CG2-CB 3.89Å
414S90.3Very high83.2Confident43 Ų4344.5 Ų44.530%0.30123%0.229SC..Hα-helixtrans-60.2-47.4177.5-600000110.7S410 A411 I412 S417 L418S410-S414 VanDerWaalsContact O-CB 3.28Å; S410-S414 WeakPolarHBondContact O-CB 3.49Å; S410-S414 PolarHBondContact O-N 2.95Å; S410-S414 PolarHBondContact O-OG 3.25Å; A411-S414 PolarHBondContact O-N 3.49Å; I412-S414 PolarHBondContact O-N 2.75Å; S414-S417 PolarHBondContact O-N 2.89Å; S414-L418 WeakPolarHBondContact O-CG 3.28Å; S414-L418 PolarHBondContact O-N 3.43Å
415L91.6Very high83Confident2 Ų240.8 Ų40.81%0.0122%0.219CC..Hα-helixtrans-67.9-45.4178.9-175.662.1000112.3I343 M356 A411 I412 V413 S417 L418 M419 L434 F440 L444I343-L415 HydrophobicContact CD1-CB 4.13Å; I343-L415 HydrophobicContact CD1-CD2 3.83Å; I343-L415 HydrophobicContact CG1-CB 4.16Å; I343-L415 HydrophobicContact CG1-CD2 3.92Å; I343-L415 HydrophobicContact CG1-CG 4.45Å; I343-L415 HydrophobicContact CG2-CB 4.13Å; M356-L415 HydrophobicContact CE-CD1 4.23Å; M356-L415 HydrophobicContact CE-CD2 3.7Å; A411-L415 PolarHBondContact O-N 3.42Å; I412-L415 PolarHBondContact O-N 2.96Å; V413-L415 PolarHBondContact O-N 3.28Å; L415-S417 PolarHBondContact O-N 3.32Å; L415-L418 WeakPolarHBondContact O-CB 3.45Å; L415-L418 PolarHBondContact O-N 2.92Å; L415-M419 HydrophobicContact CD1-CG 4.48Å; L415-M419 HydrophobicContact CD1-SD 4.34Å; L415-M419 HydrophobicContact CD2-SD 4.42Å; L415-M419 HydrophobicContact CG-SD 3.9Å; L415-M419 VanDerWaalsContact O-CG 3.27Å; L415-M419 WeakPolarHBondContact O-CG 3.19Å; L415-M419 PolarHBondContact O-N 3.49Å; L415-L434 HydrophobicContact CD1-CD1 3.99Å; L415-F440 HydrophobicContact CD2-CE1 4.03Å; L415-F440 HydrophobicContact CD2-CZ 3.98Å; L415-L444 HydrophobicContact CD2-CD1 3.62Å; L415-L444 HydrophobicContact CD2-CD2 3.98Å; L415-L444 HydrophobicContact CD2-CG 4.46Å; L415-L444 HydrophobicContact CG-CD1 4.3Å
416L91.3Very high82.1Confident0 Ų045.3 Ų45.30%026%0.257CS..Hα-helixtrans-61-34.7175.4-70.1175.6000111.4I412 V413 M419 F420 L444 F445 L471 Y474I412-L416 HydrophobicContact CG2-CD1 3.75Å; I412-L416 HydrophobicContact CG2-CG 4.19Å; I412-L416 WeakPolarHBondContact O-CB 3.46Å; I412-L416 VanDerWaalsContact O-CG 3.25Å; I412-L416 WeakPolarHBondContact O-CG 3.2Å; I412-L416 PolarHBondContact O-N 3.08Å; V413-L416 PolarHBondContact O-N 3.29Å; L416-M419 PolarHBondContact O-N 2.96Å; L416-F420 HydrophobicContact CB-CD2 4.4Å; L416-F420 HydrophobicContact CD2-CD2 4.11Å; L416-F420 HydrophobicContact CD2-CE2 3.69Å; L416-F420 VanDerWaalsContact O-CD2 3.31Å; L416-F420 WeakPolarHBondContact O-CD2 3.18Å; L416-F420 PolarHBondContact O-N 3.27Å; L416-L444 HydrophobicContact CD2-CD1 4.28Å; L416-F445 HydrophobicContact CD1-CE1 3.99Å; L416-F445 HydrophobicContact CD1-CZ 4.13Å; L416-F445 HydrophobicContact CD2-CE2 4.06Å; L416-F445 HydrophobicContact CD2-CZ 3.94Å; L416-L471 HydrophobicContact CD1-CD1 3.6Å; L416-Y474 HydrophobicContact CB-CD2 4.12Å; L416-Y474 HydrophobicContact CB-CE2 4.37Å
417S89.1Confident81.2Confident33 Ų3346.1 Ų46.123%0.23126%0.261CS..Hα-helixtrans-68.5-42.5175.3-57.10000111.6V413 S414 L415 M419 S421 Y474V413-S417 VanDerWaalsContact O-CB 3.24Å; V413-S417 WeakPolarHBondContact O-CB 3.34Å; V413-S417 PolarHBondContact O-N 2.98Å; V413-S417 PolarHBondContact O-OG 3.45Å; S414-S417 PolarHBondContact O-N 2.89Å; L415-S417 PolarHBondContact O-N 3.32Å; S417-M419 VanDerWaalsContact C-N 3.3Å; S417-M419 PolarHBondContact O-N 3.46Å; S417-S421 WeakPolarHBondContact O-CA 3.32Å; S417-S421 WeakPolarHBondContact O-CB 3.38Å; S417-S421 PolarHBondContact O-N 3.4Å; S417-S421 PolarHBondContact O-OG 3.41Å; S417-Y474 WeakPolarHBondContact CA-OH 3.42Å; S417-Y474 PolarHBondContact OG-OH 3.49Å
418L87.2Confident80.6Confident50 Ų5053 Ų5326%0.26229%0.293SS..Hα-helixtrans-59.6-42.8172.6-73.5167.5000111.3S414 L415 L425S414-L418 WeakPolarHBondContact O-CG 3.28Å; S414-L418 PolarHBondContact O-N 3.43Å; L415-L418 WeakPolarHBondContact O-CB 3.45Å; L415-L418 PolarHBondContact O-N 2.92Å; L418-L425 HydrophobicContact CD2-CD1 4.26Å; L418-L425 VanDerWaalsContact O-CD1 3.31Å; L418-L425 WeakPolarHBondContact O-CD1 3.5Å
419M88.6Confident80.3Confident4 Ų455.1 Ų55.12%0.0231%0.312CS..Hα-helixtrans-68.4-53.5178.7-66.5169.67200111.8L415 L416 S417 I431 L434 Q435 V441 L444L415-M419 HydrophobicContact CD1-CG 4.48Å; L415-M419 HydrophobicContact CD1-SD 4.34Å; L415-M419 HydrophobicContact CD2-SD 4.42Å; L415-M419 HydrophobicContact CG-SD 3.9Å; L415-M419 VanDerWaalsContact O-CG 3.27Å; L415-M419 WeakPolarHBondContact O-CG 3.19Å; L415-M419 PolarHBondContact O-N 3.49Å; L416-M419 PolarHBondContact O-N 2.96Å; S417-M419 VanDerWaalsContact C-N 3.3Å; S417-M419 PolarHBondContact O-N 3.46Å; M419-I431 HydrophobicContact CG-CG2 4.33Å; M419-L434 HydrophobicContact CE-CB 4.17Å; M419-L434 HydrophobicContact SD-CB 4.39Å; M419-Q435 HydrophobicContact CB-CG 3.97Å; M419-Q435 HydrophobicContact CE-CB 4.32Å; M419-Q435 HydrophobicContact CE-CG 3.93Å; M419-Q435 HydrophobicContact CG-CG 4.19Å; M419-Q435 PolarHBondContact O-NE2 2.88Å; M419-V441 HydrophobicContact CE-CG2 3.62Å; M419-L444 HydrophobicContact SD-CD1 4.11Å
420F86.1Confident80.3Confident51 Ų5154.8 Ų54.822%0.22431%0.311CS..Hα-helixtrans-102.15-167-60.7-71.4000114.4L416 V441 Y474 E478L416-F420 HydrophobicContact CB-CD2 4.4Å; L416-F420 HydrophobicContact CD2-CD2 4.11Å; L416-F420 HydrophobicContact CD2-CE2 3.69Å; L416-F420 VanDerWaalsContact O-CD2 3.31Å; L416-F420 WeakPolarHBondContact O-CD2 3.18Å; L416-F420 PolarHBondContact O-N 3.27Å; F420-V441 HydrophobicContact CE2-CG1 4.46Å; F420-V441 HydrophobicContact CZ-CG1 4.1Å; F420-Y474 HydrophobicContact CB-CD1 3.85Å; F420-Y474 HydrophobicContact CB-CE1 3.55Å; F420-Y474 HydrophobicContact CD2-CD1 4.39Å; F420-Y474 HydrophobicContact CG-CD1 4.43Å; F420-E478 HydrophobicContact CD1-CG 4.48Å; F420-E478 HydrophobicContact CE1-CG 4.29Å; F420-E478 HydrophobicContact CZ-CG 4.35Å
421S79.5Confident80.3Confident41 Ų4153.9 Ų53.929%0.28730%0.304SS..  trans-66.7135.8173.261.40000111.1S417 S423S417-S421 WeakPolarHBondContact O-CA 3.32Å; S417-S421 WeakPolarHBondContact O-CB 3.38Å; S417-S421 PolarHBondContact O-N 3.4Å; S417-S421 PolarHBondContact O-OG 3.41Å; S421-S423 PolarHBondContact O-N 2.83Å; S421-S423 PolarHBondContact OG-OG 2.9Å
422K65.1Low80.2Confident219 Ų21955.6 Ų55.695%0.95232%0.316SS*.SBendtrans-74.8-2-179.6-65.6-174.5178-177.20113.9
423S61Low80.1Confident70 Ų7058.4 Ų58.449%0.4933%0.33SS..SBendtrans-73.9127.7175.940.20000109.6S421 L425S421-S423 PolarHBondContact O-N 2.83Å; S421-S423 PolarHBondContact OG-OG 2.9Å; S423-L425 VanDerWaalsContact C-N 3.32Å; S423-L425 PolarHBondContact O-N 3.28Å
424Q55.3Low80.2Confident198 Ų19858.2 Ų58.293%0.92533%0.329SS*.  trans-58.298.1165.4-82.7177.4-31.200108.4
425L61.6Low80.2Confident55 Ų5559.4 Ų59.429%0.28833%0.33SS..  trans-78.5147.1172.9-67.8166.6000107.8L418 S423 N427 I431L418-L425 HydrophobicContact CD2-CD1 4.26Å; L418-L425 VanDerWaalsContact O-CD1 3.31Å; L418-L425 WeakPolarHBondContact O-CD1 3.5Å; S423-L425 VanDerWaalsContact C-N 3.32Å; S423-L425 PolarHBondContact O-N 3.28Å; L425-N427 HydrophobicContact CB-CB 4.29Å; L425-N427 PolarHBondContact O-N 3.46Å; L425-I431 HydrophobicContact CB-CD1 4.16Å; L425-I431 HydrophobicContact CD1-CD1 3.43Å; L425-I431 VanDerWaalsContact CD1-CD1 3.43Å; L425-I431 HydrophobicContact CG-CD1 4.43Å
426A58.7Low80.2Confident106 Ų10665.4 Ų65.488%0.87636%0.362SS*.THydrogen-bonded Turntrans-59.9-3.117200000113.3
427N66.5Low80.3Confident25 Ų2568.7 Ų68.713%0.13438%0.377CS..THydrogen-bonded Turntrans-115.821.6-157.5-48.6-25.4000111.3D348 L425 A429 A430 I431D348-N427 HydrophobicContact CB-CB 3.93Å; D348-N427 VanDerWaalsContact CB-CG 3.4Å; D348-N427 VanDerWaalsContact CB-OD1 3.27Å; D348-N427 WeakPolarHBondContact CB-OD1 3.24Å; D348-N427 PolarHBondContact OD1-ND2 3.47Å; D348-N427 PolarHBondContact OD2-ND2 3.46Å; D348-N427 PolarHBondContact OD2-OD1 2.75Å; L425-N427 HydrophobicContact CB-CB 4.29Å; L425-N427 PolarHBondContact O-N 3.46Å; N427-A429 PolarHBondContact O-N 2.79Å; N427-A429 VanDerWaalsContact O-N 3.11Å; N427-A430 PolarHBondContact O-N 2.81Å; N427-I431 HydrophobicContact CB-CD1 3.75Å; N427-I431 HydrophobicContact CB-CG1 4.18Å; N427-I431 WeakPolarHBondContact O-CG1 3.16Å; N427-I431 PolarHBondContact O-N 3.42Å; N427-I431 VanDerWaalsContact O-N 3.08Å
428E77Confident80.4Confident145 Ų14574.8 Ų74.868%0.67840%0.402SS*.Hα-helixtrans-54.2-37.7-169.3-163.1175.3-160.900111.7S432E428-S432 WeakPolarHBondContact O-CA 3.28Å; E428-S432 WeakPolarHBondContact O-CB 3.32Å; E428-S432 PolarHBondContact O-N 2.88Å; E428-S432 PolarHBondContact O-OG 3.46Å
429A84.1Confident80.8Confident74 Ų7477.3 Ų77.361%0.61242%0.416SS*.Hα-helixtrans-68.5-49.7-179.100000113.9N427 L433N427-A429 PolarHBondContact O-N 2.79Å; N427-A429 VanDerWaalsContact O-N 3.11Å; A429-L433 WeakPolarHBondContact O-CG 3.45Å; A429-L433 PolarHBondContact O-N 2.88Å
430A89.3Confident81.1Confident1 Ų177.1 Ų77.11%0.00842%0.415CS..Hα-helixtrans-68.3-40.4-178.900000111.1F346 D348 A353 N427 L433 L434F346-A430 HydrophobicContact CZ-CB 4.11Å; D348-A430 WeakPolarHBondContact O-CB 3.43Å; A353-A430 HydrophobicContact CB-CB 4.16Å; A353-A430 WeakPolarHBondContact CB-O 3.17Å; N427-A430 PolarHBondContact O-N 2.81Å; A430-L433 WeakPolarHBondContact O-CB 3.29Å; A430-L433 PolarHBondContact O-N 3.12Å; A430-L434 PolarHBondContact O-N 3.28Å
431I88.5Confident81.4Confident9 Ų975.5 Ų75.55%0.04641%0.409CS..Hα-helixtrans-68.1-42.1177.4-64.5175.6000110.9M419 L425 N427 L433 L434 Q435M419-I431 HydrophobicContact CG-CG2 4.33Å; L425-I431 HydrophobicContact CB-CD1 4.16Å; L425-I431 HydrophobicContact CD1-CD1 3.43Å; L425-I431 VanDerWaalsContact CD1-CD1 3.43Å; L425-I431 HydrophobicContact CG-CD1 4.43Å; N427-I431 HydrophobicContact CB-CD1 3.75Å; N427-I431 HydrophobicContact CB-CG1 4.18Å; N427-I431 WeakPolarHBondContact O-CG1 3.16Å; N427-I431 PolarHBondContact O-N 3.42Å; N427-I431 VanDerWaalsContact O-N 3.08Å; I431-L433 PolarHBondContact O-N 3.17Å; I431-L434 PolarHBondContact O-N 3.12Å; I431-L434 VanDerWaalsContact O-N 3.08Å; I431-Q435 HydrophobicContact CG2-CG 4.04Å; I431-Q435 WeakPolarHBondContact O-CG 3.3Å; I431-Q435 PolarHBondContact O-N 2.97Å
432S88.7Confident82Confident36 Ų3675.3 Ų75.325%0.25241%0.413SS..Hα-helixtrans-59-34.9176.3-680000112.2E428 N436E428-S432 WeakPolarHBondContact O-CA 3.28Å; E428-S432 WeakPolarHBondContact O-CB 3.32Å; E428-S432 PolarHBondContact O-N 2.88Å; E428-S432 PolarHBondContact O-OG 3.46Å; S432-N436 VanDerWaalsContact O-CB 3.26Å; S432-N436 WeakPolarHBondContact O-CB 3.48Å; S432-N436 PolarHBondContact O-N 3.34Å; S432-N436 PolarHBondContact O-ND2 3.35Å
433L92.3Very high83.4Confident59 Ų5965.4 Ų65.431%0.30937%0.37SS..Hα-helixtrans-61.9-45.7174.6-72.6177.9000112.1K350 A353 L357 A429 A430 I431 E437K350-L433 HydrophobicContact CD-CD1 4.14Å; K350-L433 HydrophobicContact CG-CD1 3.38Å; A353-L433 HydrophobicContact CB-CB 4.47Å; A353-L433 HydrophobicContact CB-CD1 4.33Å; L357-L433 HydrophobicContact CD1-CB 4.47Å; A429-L433 WeakPolarHBondContact O-CG 3.45Å; A429-L433 PolarHBondContact O-N 2.88Å; A430-L433 WeakPolarHBondContact O-CB 3.29Å; A430-L433 PolarHBondContact O-N 3.12Å; I431-L433 PolarHBondContact O-N 3.17Å; L433-E437 PolarHBondContact O-N 3.36Å
434L92.8Very high84.9Confident1 Ų162 Ų621%0.00535%0.347CS..Hα-helixtrans-69.1-39.3-179.7-61.6179.8000111.8F346 A353 M356 L357 L415 M419 A430 I431 F440F346-L434 HydrophobicContact CE2-CD1 4.03Å; F346-L434 HydrophobicContact CZ-CD1 4.28Å; A353-L434 HydrophobicContact CB-CD1 4.33Å; A353-L434 HydrophobicContact CB-CD2 3.97Å; A353-L434 HydrophobicContact CB-CG 3.94Å; M356-L434 HydrophobicContact CB-CD2 4.39Å; M356-L434 HydrophobicContact CE-CD1 4.35Å; M356-L434 HydrophobicContact SD-CD1 4.41Å; L357-L434 HydrophobicContact CD1-CD2 4.31Å; L357-L434 HydrophobicContact CD2-CD2 3.76Å; L357-L434 HydrophobicContact CG-CD2 3.76Å; L415-L434 HydrophobicContact CD1-CD1 3.99Å; M419-L434 HydrophobicContact CE-CB 4.17Å; M419-L434 HydrophobicContact SD-CB 4.39Å; A430-L434 PolarHBondContact O-N 3.28Å; I431-L434 PolarHBondContact O-N 3.12Å; I431-L434 VanDerWaalsContact O-N 3.08Å; L434-F440 HydrophobicContact CB-CD1 4.4Å; L434-F440 HydrophobicContact CB-CE1 4.22Å; L434-F440 HydrophobicContact CD2-CD1 4.34Å; L434-F440 HydrophobicContact CD2-CE1 3.94Å; L434-F440 HydrophobicContact CD2-CZ 4.34Å; L434-F440 HydrophobicContact CG-CE1 4.48Å
435Q89.9Confident86.6Confident69 Ų6953.6 Ų53.632%0.32231%0.307SS..Hα-helixtrans-65.9-40.5178.7-73.8171.3-28.900112.7M419 I431 E437M419-Q435 HydrophobicContact CB-CG 3.97Å; M419-Q435 HydrophobicContact CE-CB 4.32Å; M419-Q435 HydrophobicContact CE-CG 3.93Å; M419-Q435 HydrophobicContact CG-CG 4.19Å; M419-Q435 PolarHBondContact O-NE2 2.88Å; I431-Q435 HydrophobicContact CG2-CG 4.04Å; I431-Q435 WeakPolarHBondContact O-CG 3.3Å; I431-Q435 PolarHBondContact O-N 2.97Å; Q435-E437 VanDerWaalsContact C-N 3.27Å; Q435-E437 PolarHBondContact O-N 3.49Å
436N91.2Very high87.9Confident127 Ų12752.9 Ų52.968%0.67931%0.309SS*.Hα-helixtrans-76.8-12.6-176.1-71-36.7000113.1S432 E438S432-N436 VanDerWaalsContact O-CB 3.26Å; S432-N436 WeakPolarHBondContact O-CB 3.48Å; S432-N436 PolarHBondContact O-N 3.34Å; S432-N436 PolarHBondContact O-ND2 3.35Å; N436-E438 PolarHBondContact O-N 3.3Å
437E94.2Very high89.4Confident70 Ų7047.9 Ų47.933%0.32727%0.268SS..  trans-88.686.8172.8-174.353.9-131.400110.4L357 L433 Q435 N439 F440 V441L357-E437 HydrophobicContact CD2-CB 3.91Å; L357-E437 HydrophobicContact CD2-CG 3.98Å; L433-E437 PolarHBondContact O-N 3.36Å; Q435-E437 VanDerWaalsContact C-N 3.27Å; Q435-E437 PolarHBondContact O-N 3.49Å; E437-N439 PolarHBondContact O-N 3Å; E437-N439 VanDerWaalsContact O-N 3.14Å; E437-N439 PolarHBondContact OE1-ND2 3.49Å; E437-F440 HydrophobicContact CB-CB 4Å; E437-F440 HydrophobicContact CG-CB 3.68Å; E437-F440 WeakPolarHBondContact O-CB 3.45Å; E437-F440 PolarHBondContact O-N 3.33Å; E437-V441 PolarHBondContact O-N 3.36Å; E437-V441 VanDerWaalsContact O-N 3.13Å
438E92Very high90.5Very high161 Ų16146.9 Ų46.975%0.75226%0.262SS*.Hα-helixtrans-54.2-36.5-175.8-65.2-177.718000113.3N436 F440 V441 G442N436-E438 PolarHBondContact O-N 3.3Å; E438-F440 VanDerWaalsContact C-N 3.34Å; E438-F440 PolarHBondContact O-N 2.89Å; E438-V441 PolarHBondContact O-N 3.47Å; E438-G442 PolarHBondContact O-N 3.49Å
439N94Very high90.8Very high102 Ų10246.2 Ų46.255%0.54526%0.26SS..Hα-helixtrans-68-36.8-179.5-58.3-62.7000111.7Y360 E437 W443Y360-N439 HydrophobicContact CE1-CB 3.88Å; Y360-N439 WeakPolarHBondContact OH-CB 3.13Å; Y360-N439 PolarHBondContact OH-O 3.48Å; Y360-N439 VanDerWaalsContact OH-O 3.12Å; E437-N439 PolarHBondContact O-N 3Å; E437-N439 VanDerWaalsContact O-N 3.14Å; E437-N439 PolarHBondContact OE1-ND2 3.49Å; N439-W443 VanDerWaalsContact O-CB 3.3Å; N439-W443 WeakPolarHBondContact O-CB 3.43Å; N439-W443 PolarHBondContact O-N 3.22Å
440F95Very high90.9Very high0 Ų046.3 Ų46.30%024%0.244CC..Hα-helixtrans-66.1-45.8174.8177.1-103.3000110.8M356 L357 Y360 L415 L434 E437 E438 G442 W443 L444M356-F440 HydrophobicContact CE-CZ 4.05Å; L357-F440 HydrophobicContact CD2-CB 3.8Å; L357-F440 HydrophobicContact CD2-CD1 4.05Å; L357-F440 HydrophobicContact CD2-CD2 3.96Å; L357-F440 HydrophobicContact CD2-CG 3.66Å; Y360-F440 HydrophobicContact CD1-CB 3.99Å; Y360-F440 HydrophobicContact CD1-CD2 4.08Å; Y360-F440 HydrophobicContact CD2-CD2 4.23Å; Y360-F440 HydrophobicContact CE1-CB 4.22Å; Y360-F440 HydrophobicContact CG-CB 4.38Å; Y360-F440 AromaticContact CG-CD2 3.68Å; Y360-F440 HydrophobicContact CG-CD2 3.68Å; L415-F440 HydrophobicContact CD2-CE1 4.03Å; L415-F440 HydrophobicContact CD2-CZ 3.98Å; L434-F440 HydrophobicContact CB-CD1 4.4Å; L434-F440 HydrophobicContact CB-CE1 4.22Å; L434-F440 HydrophobicContact CD2-CD1 4.34Å; L434-F440 HydrophobicContact CD2-CE1 3.94Å; L434-F440 HydrophobicContact CD2-CZ 4.34Å; L434-F440 HydrophobicContact CG-CE1 4.48Å; E437-F440 HydrophobicContact CB-CB 4Å; E437-F440 HydrophobicContact CG-CB 3.68Å; E437-F440 WeakPolarHBondContact O-CB 3.45Å; E437-F440 PolarHBondContact O-N 3.33Å; E438-F440 VanDerWaalsContact C-N 3.34Å; E438-F440 PolarHBondContact O-N 2.89Å; F440-G442 PolarHBondContact O-N 3.46Å; F440-W443 AromaticContact CD2-CE3 3.96Å; F440-W443 HydrophobicContact CD2-CE3 3.96Å; F440-W443 HydrophobicContact CD2-CZ3 4.28Å; F440-W443 AromaticContact CE2-CE3 3.93Å; F440-W443 HydrophobicContact CE2-CE3 3.93Å; F440-W443 AromaticContact CE2-CZ3 3.84Å; F440-W443 HydrophobicContact CE2-CZ3 3.84Å; F440-W443 WeakPolarHBondContact O-CB 3.43Å; F440-W443 PolarHBondContact O-N 2.9Å; F440-W443 VanDerWaalsContact O-N 3.16Å; F440-L444 HydrophobicContact CD1-CD1 4.21Å; F440-L444 HydrophobicContact CE1-CD1 3.7Å; F440-L444 HydrophobicContact CE1-CD2 4.49Å; F440-L444 HydrophobicContact CE1-CG 4.17Å; F440-L444 HydrophobicContact CZ-CD1 4.17Å; F440-L444 HydrophobicContact CZ-CD2 4.13Å; F440-L444 HydrophobicContact CZ-CG 4.26Å; F440-L444 PolarHBondContact O-N 3.39Å
441V92.7Very high90.6Very high18 Ų1848.9 Ų48.911%0.10925%0.254CS..Hα-helixtrans-59.5-48.6175.9-178.30000110.7M419 F420 E437 E438 W443 L444 F445M419-V441 HydrophobicContact CE-CG2 3.62Å; F420-V441 HydrophobicContact CE2-CG1 4.46Å; F420-V441 HydrophobicContact CZ-CG1 4.1Å; E437-V441 PolarHBondContact O-N 3.36Å; E437-V441 VanDerWaalsContact O-N 3.13Å; E438-V441 PolarHBondContact O-N 3.47Å; V441-W443 VanDerWaalsContact C-N 3.26Å; V441-W443 PolarHBondContact O-N 3.32Å; V441-L444 WeakPolarHBondContact O-CB 3.38Å; V441-L444 PolarHBondContact O-N 2.96Å; V441-L444 VanDerWaalsContact O-N 3.15Å; V441-F445 HydrophobicContact CG1-CD2 4.08Å; V441-F445 HydrophobicContact CG1-CE2 3.75Å; V441-F445 VanDerWaalsContact O-CD2 3.26Å; V441-F445 WeakPolarHBondContact O-CD2 3.34Å; V441-F445 PolarHBondContact O-N 3.25Å
442G92Very high90.3Very high36 Ų3651.6 Ų51.637%0.37127%0.268SS..Hα-helixtrans-59.8-35.9176.400000112.9E438 F440 F445 A446E438-G442 PolarHBondContact O-N 3.49Å; F440-G442 PolarHBondContact O-N 3.46Å; G442-F445 PolarHBondContact O-N 3.42Å; G442-A446 PolarHBondContact O-N 3.41Å
443W94Very high89.7Confident11 Ų1154 Ų544%0.04228%0.281CS..Hα-helixtrans-66.1-40.5174.6178.268.4000113E336 V339 Y360 W363 N439 F440 V441 F445 A446 L447E336-W443 HydrophobicContact CG-CZ2 4.07Å; V339-W443 HydrophobicContact CB-CH2 4.39Å; V339-W443 HydrophobicContact CG1-CH2 4.35Å; V339-W443 HydrophobicContact CG1-CZ3 4.16Å; V339-W443 HydrophobicContact CG2-CH2 4.05Å; V339-W443 HydrophobicContact CG2-CZ3 4.31Å; Y360-W443 HydrophobicContact CD2-CB 3.91Å; Y360-W443 AromaticContact CD2-CD2 3.42Å; Y360-W443 HydrophobicContact CD2-CD2 3.42Å; Y360-W443 VanDerWaalsContact CD2-CD2 3.42Å; Y360-W443 AromaticContact CD2-CE3 3.47Å; Y360-W443 HydrophobicContact CD2-CE3 3.47Å; Y360-W443 VanDerWaalsContact CD2-CE3 3.47Å; Y360-W443 AromaticContact CD2-CG 3.64Å; Y360-W443 HydrophobicContact CD2-CG 3.64Å; Y360-W443 HydrophobicContact CD2-CZ3 4.09Å; Y360-W443 HydrophobicContact CE2-CB 3.34Å; Y360-W443 AromaticContact CE2-CD1 3.93Å; Y360-W443 AromaticContact CE2-CD2 3.75Å; Y360-W443 HydrophobicContact CE2-CD2 3.75Å; Y360-W443 HydrophobicContact CE2-CE3 4.17Å; Y360-W443 AromaticContact CE2-CG 3.39Å; Y360-W443 HydrophobicContact CE2-CG 3.39Å; Y360-W443 HydrophobicContact CG-CE3 4.23Å; W363-W443 HydrophobicContact CB-CZ2 4.32Å; W363-W443 AromaticContact CD1-CZ2 3.77Å; W363-W443 AromaticContact CD2-CE2 3.69Å; W363-W443 AromaticContact CD2-CZ2 3.8Å; W363-W443 HydrophobicContact CD2-CZ2 3.8Å; W363-W443 AromaticContact CD2-NE1 3.21Å; W363-W443 AromaticContact CE2-CE2 3.93Å; W363-W443 AromaticContact CE2-NE1 3.26Å; W363-W443 VanDerWaalsContact CE2-NE1 3.26Å; W363-W443 AromaticContact CE3-CD1 3.6Å; W363-W443 AromaticContact CE3-CE2 3.85Å; W363-W443 HydrophobicContact CE3-CG 4.48Å; W363-W443 HydrophobicContact CE3-CZ2 4.39Å; W363-W443 AromaticContact CE3-NE1 3.13Å; W363-W443 AromaticContact CG-CZ2 3.71Å; W363-W443 HydrophobicContact CG-CZ2 3.71Å; W363-W443 AromaticContact CH2-CD1 3.62Å; W363-W443 AromaticContact CH2-NE1 3.32Å; W363-W443 VanDerWaalsContact CH2-NE1 3.32Å; W363-W443 AromaticContact CZ2-NE1 3.33Å; W363-W443 VanDerWaalsContact CZ2-NE1 3.33Å; W363-W443 AromaticContact CZ3-CD1 3.32Å; W363-W443 HydrophobicContact CZ3-CG 4.45Å; W363-W443 AromaticContact CZ3-NE1 3.2Å; W363-W443 AromaticContact NE1-CZ2 3.9Å; W363-W443 AromaticContact NE1-NE1 3.98Å; N439-W443 VanDerWaalsContact O-CB 3.3Å; N439-W443 WeakPolarHBondContact O-CB 3.43Å; N439-W443 PolarHBondContact O-N 3.22Å; F440-W443 AromaticContact CD2-CE3 3.96Å; F440-W443 HydrophobicContact CD2-CE3 3.96Å; F440-W443 HydrophobicContact CD2-CZ3 4.28Å; F440-W443 AromaticContact CE2-CE3 3.93Å; F440-W443 HydrophobicContact CE2-CE3 3.93Å; F440-W443 AromaticContact CE2-CZ3 3.84Å; F440-W443 HydrophobicContact CE2-CZ3 3.84Å; F440-W443 WeakPolarHBondContact O-CB 3.43Å; F440-W443 PolarHBondContact O-N 2.9Å; F440-W443 VanDerWaalsContact O-N 3.16Å; V441-W443 VanDerWaalsContact C-N 3.26Å; V441-W443 PolarHBondContact O-N 3.32Å; W443-F445 VanDerWaalsContact C-N 3.33Å; W443-F445 PolarHBondContact O-N 2.97Å; W443-A446 WeakPolarHBondContact O-CB 3.46Å; W443-A446 PolarHBondContact O-N 2.89Å; W443-A446 VanDerWaalsContact O-N 3.14Å; W443-L447 HydrophobicContact CD2-CD1 3.83Å; W443-L447 HydrophobicContact CD2-CG 4.21Å; W443-L447 HydrophobicContact CE3-CD1 3.95Å; W443-L447 HydrophobicContact CH2-CD1 3.77Å; W443-L447 HydrophobicContact CZ2-CD1 3.63Å; W443-L447 HydrophobicContact CZ2-CD2 4.21Å; W443-L447 HydrophobicContact CZ2-CG 4.23Å; W443-L447 HydrophobicContact CZ3-CD1 3.92Å; W443-L447 WeakPolarHBondContact O-CG 3.3Å; W443-L447 PolarHBondContact O-N 2.76Å
444L92.8Very high88.7Confident0 Ų054.7 Ų54.70%030%0.295CS..Hα-helixtrans-58.5-44.2174.2-67.5175.5000111.8L415 L416 M419 F440 V441 L447 A448L415-L444 HydrophobicContact CD2-CD1 3.62Å; L415-L444 HydrophobicContact CD2-CD2 3.98Å; L415-L444 HydrophobicContact CD2-CG 4.46Å; L415-L444 HydrophobicContact CG-CD1 4.3Å; L416-L444 HydrophobicContact CD2-CD1 4.28Å; M419-L444 HydrophobicContact SD-CD1 4.11Å; F440-L444 HydrophobicContact CD1-CD1 4.21Å; F440-L444 HydrophobicContact CE1-CD1 3.7Å; F440-L444 HydrophobicContact CE1-CD2 4.49Å; F440-L444 HydrophobicContact CE1-CG 4.17Å; F440-L444 HydrophobicContact CZ-CD1 4.17Å; F440-L444 HydrophobicContact CZ-CD2 4.13Å; F440-L444 HydrophobicContact CZ-CG 4.26Å; F440-L444 PolarHBondContact O-N 3.39Å; V441-L444 WeakPolarHBondContact O-CB 3.38Å; V441-L444 PolarHBondContact O-N 2.96Å; V441-L444 VanDerWaalsContact O-N 3.15Å; L444-L447 WeakPolarHBondContact O-CB 3.37Å; L444-L447 PolarHBondContact O-N 3.24Å; L444-A448 PolarHBondContact O-N 3.36Å
445F91.2Very high87.6Confident21 Ų2156.3 Ų56.39%0.09230%0.304CS..Hα-helixtrans-65.7-37.8175.2-74.3-73.1000112.3L416 V441 G442 W443 A448 Q449 L471 F479L416-F445 HydrophobicContact CD1-CE1 3.99Å; L416-F445 HydrophobicContact CD1-CZ 4.13Å; L416-F445 HydrophobicContact CD2-CE2 4.06Å; L416-F445 HydrophobicContact CD2-CZ 3.94Å; V441-F445 HydrophobicContact CG1-CD2 4.08Å; V441-F445 HydrophobicContact CG1-CE2 3.75Å; V441-F445 VanDerWaalsContact O-CD2 3.26Å; V441-F445 WeakPolarHBondContact O-CD2 3.34Å; V441-F445 PolarHBondContact O-N 3.25Å; G442-F445 PolarHBondContact O-N 3.42Å; W443-F445 VanDerWaalsContact C-N 3.33Å; W443-F445 PolarHBondContact O-N 2.97Å; F445-A448 WeakPolarHBondContact O-CB 3.21Å; F445-A448 PolarHBondContact O-N 3.15Å; F445-Q449 PolarHBondContact O-N 3.17Å; F445-L471 HydrophobicContact CE1-CD1 4.47Å; F445-F479 AromaticContact CD1-CE2 3.88Å; F445-F479 HydrophobicContact CD1-CE2 3.88Å; F445-F479 AromaticContact CD2-CE2 3.51Å; F445-F479 HydrophobicContact CD2-CE2 3.51Å; F445-F479 AromaticContact CD2-CZ 3.63Å; F445-F479 HydrophobicContact CD2-CZ 3.63Å; F445-F479 AromaticContact CE1-CE2 3.88Å; F445-F479 HydrophobicContact CE1-CE2 3.88Å; F445-F479 AromaticContact CE2-CE2 3.51Å; F445-F479 HydrophobicContact CE2-CE2 3.51Å; F445-F479 AromaticContact CE2-CZ 3.92Å; F445-F479 HydrophobicContact CE2-CZ 3.92Å; F445-F479 AromaticContact CG-CE2 3.7Å; F445-F479 HydrophobicContact CG-CE2 3.7Å; F445-F479 HydrophobicContact CG-CZ 4.04Å; F445-F479 AromaticContact CZ-CE2 3.7Å; F445-F479 HydrophobicContact CZ-CE2 3.7Å
446A89.8Confident86Confident40 Ų4060.4 Ų60.433%0.33133%0.328SS..Hα-helixtrans-64.9-38.6174.300000112.4G442 W443 A448 Q449 R450G442-A446 PolarHBondContact O-N 3.41Å; W443-A446 WeakPolarHBondContact O-CB 3.46Å; W443-A446 PolarHBondContact O-N 2.89Å; W443-A446 VanDerWaalsContact O-N 3.14Å; A446-A448 VanDerWaalsContact C-N 3.35Å; A446-Q449 PolarHBondContact O-N 2.89Å; A446-R450 WeakPolarHBondContact O-CB 3.45Å; A446-R450 WeakPolarHBondContact O-CG 3.18Å; A446-R450 PolarHBondContact O-N 2.72Å
447L90.2Very high84.2Confident1 Ų160.2 Ų60.21%0.00533%0.331CS..Hα-helixtrans-62.4-43.2172.2-72.2174.9000111.2E336 V407 I412 W443 L444 Q449 R450 R451E336-L447 HydrophobicContact CG-CD2 3.98Å; V407-L447 HydrophobicContact CB-CD1 4.49Å; V407-L447 HydrophobicContact CG2-CD1 3.9Å; I412-L447 HydrophobicContact CD1-CB 3.96Å; W443-L447 HydrophobicContact CD2-CD1 3.83Å; W443-L447 HydrophobicContact CD2-CG 4.21Å; W443-L447 HydrophobicContact CE3-CD1 3.95Å; W443-L447 HydrophobicContact CH2-CD1 3.77Å; W443-L447 HydrophobicContact CZ2-CD1 3.63Å; W443-L447 HydrophobicContact CZ2-CD2 4.21Å; W443-L447 HydrophobicContact CZ2-CG 4.23Å; W443-L447 HydrophobicContact CZ3-CD1 3.92Å; W443-L447 WeakPolarHBondContact O-CG 3.3Å; W443-L447 PolarHBondContact O-N 2.76Å; L444-L447 WeakPolarHBondContact O-CB 3.37Å; L444-L447 PolarHBondContact O-N 3.24Å; L447-Q449 PolarHBondContact O-N 3.2Å; L447-R450 PolarHBondContact O-N 3.29Å; L447-R451 WeakPolarHBondContact O-CB 3.38Å; L447-R451 PolarHBondContact O-N 2.82Å
448A88.1Confident82.1Confident3 Ų361.4 Ų61.43%0.02534%0.337CS..Hα-helixtrans-61.2-46.1177.500000111.1I412 L444 F445 A446 R450 R451 L452 L471I412-A448 HydrophobicContact CD1-CB 3.98Å; I412-A448 HydrophobicContact CG2-CB 4.17Å; L444-A448 PolarHBondContact O-N 3.36Å; F445-A448 WeakPolarHBondContact O-CB 3.21Å; F445-A448 PolarHBondContact O-N 3.15Å; A446-A448 VanDerWaalsContact C-N 3.35Å; A448-R450 PolarHBondContact O-N 3.44Å; A448-R451 PolarHBondContact O-N 3.26Å; A448-L452 WeakPolarHBondContact O-CB 3.41Å; A448-L452 VanDerWaalsContact O-CG 3.27Å; A448-L452 WeakPolarHBondContact O-CG 3.46Å; A448-L452 PolarHBondContact O-N 2.73Å; A448-L471 HydrophobicContact CB-CD1 4.05Å; A448-L471 HydrophobicContact CB-CD2 3.73Å
449Q85.3Confident80.2Confident132 Ų13259.3 Ų59.362%0.61733%0.33SS*.Hα-helixtrans-61-44.9175.2-172.6-176.47.200112F445 A446 L447 R451 L452 T453F445-Q449 PolarHBondContact O-N 3.17Å; A446-Q449 PolarHBondContact O-N 2.89Å; L447-Q449 PolarHBondContact O-N 3.2Å; Q449-R451 VanDerWaalsContact C-N 3.29Å; Q449-R451 PolarHBondContact O-N 3.43Å; Q449-L452 PolarHBondContact O-N 2.91Å; Q449-T453 WeakPolarHBondContact O-CB 3.32Å; Q449-T453 WeakPolarHBondContact O-CG2 3.41Å; Q449-T453 PolarHBondContact O-N 3.2Å; Q449-T453 PolarHBondContact O-OG1 3.22Å
450R85.3Confident78.1Confident75 Ų7559.5 Ų59.528%0.28334%0.339SS..Hα-helixtrans-59.9-39.4175.3-78.1170.862.6-155.4-5111.6E336 A403 C405 A446 L447 A448 T453 A454E336-R450 IonicContact OE1-CZ 2.85Å; E336-R450 VanDerWaalsContact OE1-CZ 3.3Å; E336-R450 IonicContact OE1-NH1 2.75Å; E336-R450 PolarHBondContact OE1-NH1 2.92Å; E336-R450 IonicContact OE1-NH2 2.77Å; E336-R450 PolarHBondContact OE1-NH2 3.11Å; E336-R450 IonicContact OE2-NH2 3.89Å; A403-R450 PolarHBondContact O-NH2 3.27Å; C405-R450 HydrophobicContact CB-CB 4.18Å; A446-R450 WeakPolarHBondContact O-CB 3.45Å; A446-R450 WeakPolarHBondContact O-CG 3.18Å; A446-R450 PolarHBondContact O-N 2.72Å; L447-R450 PolarHBondContact O-N 3.29Å; A448-R450 PolarHBondContact O-N 3.44Å; R450-T453 PolarHBondContact O-OG1 3.33Å; R450-A454 PolarHBondContact O-N 3.1Å
451R82.2Confident76.7Confident56 Ų5663.9 Ų63.921%0.21136%0.356CS..Hα-helixtrans-70.5-48.3178.6-171.465.8-166.7-166.22.1111.3C405 I409 L447 A448 Q449 T453 A454 L455 E458C405-R451 HydrophobicContact CB-CB 4.42Å; C405-R451 PolarHBondContact O-NH1 3.06Å; I409-R451 HydrophobicContact CD1-CG 4.08Å; I409-R451 HydrophobicContact CG1-CB 4.25Å; I409-R451 HydrophobicContact CG1-CG 3.58Å; L447-R451 WeakPolarHBondContact O-CB 3.38Å; L447-R451 PolarHBondContact O-N 2.82Å; A448-R451 PolarHBondContact O-N 3.26Å; Q449-R451 VanDerWaalsContact C-N 3.29Å; Q449-R451 PolarHBondContact O-N 3.43Å; R451-T453 VanDerWaalsContact C-N 3.3Å; R451-T453 PolarHBondContact O-N 2.87Å; R451-A454 PolarHBondContact O-N 3.44Å; R451-L455 PolarHBondContact O-N 2.81Å; R451-E458 IonicContact CZ-OE2 3.83Å; R451-E458 IonicContact NH2-OE1 2.89Å; R451-E458 PolarHBondContact NH2-OE1 3.44Å; R451-E458 IonicContact NH2-OE2 3.63Å; R451-E458 PolarHBondContact NH2-OE2 3.45Å
452L81.8Confident75.7Confident65 Ų6572.7 Ų72.734%0.3439%0.387SS..Hα-helixtrans-57.1-41.1177.4-72.6171.8000112.6I409 A448 Q449 A454 L455 I468 L471I409-L452 HydrophobicContact CD1-CD2 3.82Å; I409-L452 HydrophobicContact CD1-CG 4.4Å; A448-L452 WeakPolarHBondContact O-CB 3.41Å; A448-L452 VanDerWaalsContact O-CG 3.27Å; A448-L452 WeakPolarHBondContact O-CG 3.46Å; A448-L452 PolarHBondContact O-N 2.73Å; Q449-L452 PolarHBondContact O-N 2.91Å; L452-A454 PolarHBondContact O-N 2.89Å; L452-L455 HydrophobicContact CD2-CD1 3.75Å; L452-L455 WeakPolarHBondContact O-CB 3.34Å; L452-L455 PolarHBondContact O-N 3.01Å; L452-I468 HydrophobicContact CD2-CD1 4.06Å; L452-I468 HydrophobicContact CD2-CG1 3.91Å; L452-I468 HydrophobicContact CD2-CG2 4.46Å; L452-L471 HydrophobicContact CD1-CD2 3.96Å
453T77.7Confident74.9Confident87 Ų8777.4 Ų77.453%0.53440%0.399SS..Hα-helixtrans-70.6-15.7178.251.50000114.2Q449 R450 R451Q449-T453 WeakPolarHBondContact O-CB 3.32Å; Q449-T453 WeakPolarHBondContact O-CG2 3.41Å; Q449-T453 PolarHBondContact O-N 3.2Å; Q449-T453 PolarHBondContact O-OG1 3.22Å; R450-T453 PolarHBondContact O-OG1 3.33Å; R451-T453 VanDerWaalsContact C-N 3.3Å; R451-T453 PolarHBondContact O-N 2.87Å
454A71.5Confident74.2Confident73 Ų7378.3 Ų78.360%0.60341%0.406SS*.Hα-helixtrans-98.7-6.8175.400000113.4R450 R451 L452 D456R450-A454 PolarHBondContact O-N 3.1Å; R451-A454 PolarHBondContact O-N 3.44Å; L452-A454 PolarHBondContact O-N 2.89Å; A454-D456 PolarHBondContact O-N 3.36Å
455L69.3Low73.7Confident36 Ų3683.8 Ų83.819%0.18843%0.43CS..  trans-71.894.7174.6-66.1176.4000109.5I409 R451 L452 E458 I468I409-L455 HydrophobicContact CD1-CD1 3.74Å; I409-L455 HydrophobicContact CD1-CD2 4.37Å; I409-L455 HydrophobicContact CD1-CG 4.4Å; R451-L455 PolarHBondContact O-N 2.81Å; L452-L455 HydrophobicContact CD2-CD1 3.75Å; L452-L455 WeakPolarHBondContact O-CB 3.34Å; L452-L455 PolarHBondContact O-N 3.01Å; L455-E458 HydrophobicContact CD2-CB 3.66Å; L455-E458 HydrophobicContact CD2-CG 4.5Å; L455-E458 VanDerWaalsContact CD2-OE2 3.29Å; L455-E458 WeakPolarHBondContact CD2-OE2 3.43Å; L455-I468 HydrophobicContact CD1-CD1 3.96Å
456D56.3Low73.5Confident155 Ų15587.1 Ų87.183%0.82945%0.446SS*.SBendtrans-89.4-25.1175.3-138.5-3.9000111.7A454A454-D456 PolarHBondContact O-N 3.36Å
457V52Low73.4Confident123 Ų12386.6 Ų86.675%0.74544%0.438SS*.SBendtrans-151.94.9-174.8-166.30000115.2L459 S460V457-L459 VanDerWaalsContact C-N 3.29Å; V457-L459 PolarHBondContact O-N 2.93Å; V457-S460 PolarHBondContact O-OG 3.43Å
458E50.6Low73.3Confident95 Ų9588.3 Ų88.344%0.44445%0.446SS..G310 helixtrans-79.52.7-173.2-94.2177.5-172.900115.6R451 L455 S460R451-E458 IonicContact CZ-OE2 3.83Å; R451-E458 IonicContact NH2-OE1 2.89Å; R451-E458 PolarHBondContact NH2-OE1 3.44Å; R451-E458 IonicContact NH2-OE2 3.63Å; R451-E458 PolarHBondContact NH2-OE2 3.45Å; L455-E458 HydrophobicContact CD2-CB 3.66Å; L455-E458 HydrophobicContact CD2-CG 4.5Å; L455-E458 VanDerWaalsContact CD2-OE2 3.29Å; L455-E458 WeakPolarHBondContact CD2-OE2 3.43Å; E458-S460 PolarHBondContact O-N 3.33Å
459L52.5Low73.3Confident116 Ų11690.3 Ų90.361%0.60746%0.46SS*.G310 helixtrans-67.61.5172.8-72.8170.2000114V457 R461 F465 I468V457-L459 VanDerWaalsContact C-N 3.29Å; V457-L459 PolarHBondContact O-N 2.93Å; L459-R461 VanDerWaalsContact C-N 3.31Å; L459-F465 HydrophobicContact CD2-CD2 4.35Å; L459-I468 HydrophobicContact CD2-CD1 3.98Å
460S49.8Very low73.4Confident106 Ų10685.8 Ų85.874%0.74144%0.441SS*.G310 helixtrans-74.5-17.6178.5460000113.6V457 E458V457-S460 PolarHBondContact O-OG 3.43Å; E458-S460 PolarHBondContact O-N 3.33Å
461R64.8Low73.6Confident93 Ų9382.4 Ų82.435%0.35143%0.428SS..SBendtrans-101.1123.9178-69.9-174.4170-162.5-11.1111D202 L459 E463 V464 F465D202-R461 VanDerWaalsContact CG-NH2 3.28Å; D202-R461 IonicContact OD1-CZ 3.66Å; D202-R461 IonicContact OD1-NH1 2.91Å; D202-R461 IonicContact OD1-NH2 3.36Å; D202-R461 PolarHBondContact OD1-NH2 3.49Å; D202-R461 IonicContact OD2-NH2 3.68Å; D202-R461 PolarHBondContact OD2-NH2 2.98Å; L459-R461 VanDerWaalsContact C-N 3.31Å; R461-E463 VanDerWaalsContact C-N 3.25Å; R461-E463 PolarHBondContact O-N 3.43Å; R461-V464 HydrophobicContact CB-CG2 4.11Å; R461-V464 PolarHBondContact O-N 2.81Å; R461-V464 VanDerWaalsContact O-N 3.17Å; R461-F465 PolarHBondContact O-N 3Å
462R73Confident73.9Confident202 Ų20282.4 Ų82.476%0.76244%0.437SS*.Hα-helixtrans-53.5-41.2179-178.6177.7172.5173.20.7112.5V464 F465 E466R462-V464 PolarHBondContact O-N 3.11Å; R462-F465 WeakPolarHBondContact O-CB 3.36Å; R462-F465 PolarHBondContact O-N 2.9Å; R462-E466 WeakPolarHBondContact CG-OE1 3.48Å; R462-E466 IonicContact CZ-OE1 2.63Å; R462-E466 IonicContact NE-OE1 3.04Å; R462-E466 PolarHBondContact NE-OE1 2.99Å; R462-E466 IonicContact NH2-OE1 3.33Å; R462-E466 WeakPolarHBondContact O-CG 3.36Å; R462-E466 PolarHBondContact O-N 2.99Å
463E75.5Confident74.2Confident136 Ų13687.5 Ų87.564%0.63645%0.452SS*.Hα-helixtrans-59.2-45.1178.9-64.3172-172.900112.5R461 F465 E466 D467R461-E463 VanDerWaalsContact C-N 3.25Å; R461-E463 PolarHBondContact O-N 3.43Å; E463-F465 VanDerWaalsContact C-N 3.27Å; E463-F465 PolarHBondContact O-N 3.25Å; E463-E466 PolarHBondContact O-N 3.42Å; E463-E466 VanDerWaalsContact O-N 3.17Å; E463-D467 PolarHBondContact O-N 3.12Å
464V78.1Confident74.5Confident29 Ų2985.2 Ų85.218%0.17643%0.434CS..Hα-helixtrans-63.8-37.6178.6179.20000110.6I409 R461 R462 D467 I468I409-V464 HydrophobicContact CD1-CG1 4.48Å; R461-V464 HydrophobicContact CB-CG2 4.11Å; R461-V464 PolarHBondContact O-N 2.81Å; R461-V464 VanDerWaalsContact O-N 3.17Å; R462-V464 PolarHBondContact O-N 3.11Å; V464-D467 PolarHBondContact O-N 3.43Å; V464-I468 HydrophobicContact CG1-CD1 3.95Å; V464-I468 HydrophobicContact CG1-CG1 4.47Å; V464-I468 WeakPolarHBondContact O-CD1 3.37Å; V464-I468 WeakPolarHBondContact O-CG1 3.24Å; V464-I468 PolarHBondContact O-N 3.2Å
465F83.3Confident75.1Confident116 Ų11683.5 Ų83.551%0.50942%0.417SS..Hα-helixtrans-65.8-41175.6-178.8-96.7000112.3L459 R461 R462 E463 I468 C469L459-F465 HydrophobicContact CD2-CD2 4.35Å; R461-F465 PolarHBondContact O-N 3Å; R462-F465 WeakPolarHBondContact O-CB 3.36Å; R462-F465 PolarHBondContact O-N 2.9Å; E463-F465 VanDerWaalsContact C-N 3.27Å; E463-F465 PolarHBondContact O-N 3.25Å; F465-I468 PolarHBondContact O-N 3.35Å; F465-C469 PolarHBondContact O-N 3.41Å; F465-C469 PolarHBondContact O-SG 3.47Å
466E86.7Confident75.7Confident90 Ų9088.8 Ų88.842%0.42144%0.438SS..Hα-helixtrans-62.9-45.5175.6-72.1175-174.800110.9R462 E463 I468 C469 V470R462-E466 WeakPolarHBondContact CG-OE1 3.48Å; R462-E466 IonicContact CZ-OE1 2.63Å; R462-E466 IonicContact NE-OE1 3.04Å; R462-E466 PolarHBondContact NE-OE1 2.99Å; R462-E466 IonicContact NH2-OE1 3.33Å; R462-E466 WeakPolarHBondContact O-CG 3.36Å; R462-E466 PolarHBondContact O-N 2.99Å; E463-E466 PolarHBondContact O-N 3.42Å; E463-E466 VanDerWaalsContact O-N 3.17Å; E466-I468 PolarHBondContact O-N 3.3Å; E466-C469 WeakPolarHBondContact O-CB 3.29Å; E466-C469 PolarHBondContact O-N 3.23Å; E466-C469 VanDerWaalsContact O-N 3.12Å; E466-V470 WeakPolarHBondContact O-CG2 3.48Å; E466-V470 PolarHBondContact O-N 3.15Å
467D88.3Confident76.7Confident30 Ų3085.6 Ų85.616%0.1642%0.424CS..Hα-helixtrans-57.9-45.1173.7-78.5-23.8000111.9I409 S410 V413 E463 V464 C469 V470 L471I409-D467 HydrophobicContact CG2-CB 3.93Å; S410-D467 WeakPolarHBondContact CA-OD2 3.39Å; S410-D467 WeakPolarHBondContact CB-OD2 3.41Å; S410-D467 PolarHBondContact N-OD2 2.85Å; S410-D467 PolarHBondContact OG-OD2 3.1Å; V413-D467 HydrophobicContact CB-CB 4.48Å; V413-D467 HydrophobicContact CG2-CB 4.06Å; V413-D467 VanDerWaalsContact CG2-O 3.29Å; V413-D467 WeakPolarHBondContact CG2-O 3.18Å; E463-D467 PolarHBondContact O-N 3.12Å; V464-D467 PolarHBondContact O-N 3.43Å; D467-C469 VanDerWaalsContact C-N 3.29Å; D467-C469 PolarHBondContact O-N 3.2Å; D467-V470 PolarHBondContact O-N 3.49Å; D467-L471 WeakPolarHBondContact O-CB 3.33Å; D467-L471 PolarHBondContact O-N 2.97Å
468I87.1Confident77.6Confident37 Ų3784.1 Ų84.119%0.1941%0.409CS..Hα-helixtrans-61.8-39176.6-69.1167000111.1I409 L452 L455 L459 V464 F465 E466 L471 S472I409-I468 HydrophobicContact CD1-CD1 4.35Å; I409-I468 HydrophobicContact CD1-CG1 4.05Å; I409-I468 HydrophobicContact CG2-CG1 4.39Å; L452-I468 HydrophobicContact CD2-CD1 4.06Å; L452-I468 HydrophobicContact CD2-CG1 3.91Å; L452-I468 HydrophobicContact CD2-CG2 4.46Å; L455-I468 HydrophobicContact CD1-CD1 3.96Å; L459-I468 HydrophobicContact CD2-CD1 3.98Å; V464-I468 HydrophobicContact CG1-CD1 3.95Å; V464-I468 HydrophobicContact CG1-CG1 4.47Å; V464-I468 WeakPolarHBondContact O-CD1 3.37Å; V464-I468 WeakPolarHBondContact O-CG1 3.24Å; V464-I468 PolarHBondContact O-N 3.2Å; F465-I468 PolarHBondContact O-N 3.35Å; E466-I468 PolarHBondContact O-N 3.3Å; I468-L471 PolarHBondContact O-N 2.7Å; I468-S472 WeakPolarHBondContact O-CB 3.35Å; I468-S472 PolarHBondContact O-N 3.13Å
469C88.4Confident78.3Confident45 Ų4584 Ų8430%0.30441%0.407SS..Hα-helixtrans-63.8-42.2176.1-710000111.6F465 E466 D467 S472 R473F465-C469 PolarHBondContact O-N 3.41Å; F465-C469 PolarHBondContact O-SG 3.47Å; E466-C469 WeakPolarHBondContact O-CB 3.29Å; E466-C469 PolarHBondContact O-N 3.23Å; E466-C469 VanDerWaalsContact O-N 3.12Å; D467-C469 VanDerWaalsContact C-N 3.29Å; D467-C469 PolarHBondContact O-N 3.2Å; C469-S472 PolarHBondContact O-N 2.81Å; C469-R473 WeakPolarHBondContact O-CG 3.45Å; C469-R473 PolarHBondContact O-N 3.36Å
470V88.3Confident78.2Confident37 Ų3786.1 Ų86.122%0.22442%0.42CS..Hα-helixtrans-64.9-48.1176.4175.60000110.6V413 E466 D467 S472 R473 Y474V413-V470 HydrophobicContact CG1-CB 3.85Å; V413-V470 HydrophobicContact CG1-CG1 3.56Å; E466-V470 WeakPolarHBondContact O-CG2 3.48Å; E466-V470 PolarHBondContact O-N 3.15Å; D467-V470 PolarHBondContact O-N 3.49Å; V470-S472 VanDerWaalsContact C-N 3.29Å; V470-S472 PolarHBondContact O-N 3.19Å; V470-R473 WeakPolarHBondContact O-CB 3.4Å; V470-R473 PolarHBondContact O-N 3.45Å; V470-Y474 HydrophobicContact CG1-CD2 3.85Å; V470-Y474 HydrophobicContact CG1-CE2 3.37Å; V470-Y474 WeakPolarHBondContact O-CD2 3.29Å; V470-Y474 PolarHBondContact O-N 3.4Å
471L89Confident77.8Confident4 Ų492.4 Ų92.42%0.02143%0.434CS..Hα-helixtrans-55.3-44.2175.1-178.266.3000111.7I409 I412 V413 L416 F445 A448 L452 D467 I468 R473 Y474 C475I409-L471 HydrophobicContact CG2-CD2 4.41Å; I412-L471 HydrophobicContact CG2-CD1 4.4Å; V413-L471 HydrophobicContact CG2-CB 3.89Å; L416-L471 HydrophobicContact CD1-CD1 3.6Å; F445-L471 HydrophobicContact CE1-CD1 4.47Å; A448-L471 HydrophobicContact CB-CD1 4.05Å; A448-L471 HydrophobicContact CB-CD2 3.73Å; L452-L471 HydrophobicContact CD1-CD2 3.96Å; D467-L471 WeakPolarHBondContact O-CB 3.33Å; D467-L471 PolarHBondContact O-N 2.97Å; I468-L471 PolarHBondContact O-N 2.7Å; L471-R473 VanDerWaalsContact C-N 3.26Å; L471-R473 PolarHBondContact O-N 2.8Å; L471-Y474 PolarHBondContact O-N 3.45Å; L471-C475 PolarHBondContact O-N 2.95Å; L471-C475 PolarHBondContact O-SG 2.95Å
472S87.1Confident78.4Confident56 Ų5692.4 Ų92.439%0.39244%0.438SS..Hα-helixtrans-61.6-31.8177.1176.20000113I468 C469 V470 K476I468-S472 WeakPolarHBondContact O-CB 3.35Å; I468-S472 PolarHBondContact O-N 3.13Å; C469-S472 PolarHBondContact O-N 2.81Å; V470-S472 VanDerWaalsContact C-N 3.29Å; V470-S472 PolarHBondContact O-N 3.19Å; S472-K476 WeakPolarHBondContact O-CG 3.39Å; S472-K476 PolarHBondContact O-N 2.82Å
473R88.3Confident78.7Confident172 Ų17286.6 Ų86.665%0.64942%0.421SS*.Hα-helixtrans-69.4-46.5175.8-68.6174.2-168.7157.74110.6C469 V470 L471 C475 K476 T477C469-R473 WeakPolarHBondContact O-CG 3.45Å; C469-R473 PolarHBondContact O-N 3.36Å; V470-R473 WeakPolarHBondContact O-CB 3.4Å; V470-R473 PolarHBondContact O-N 3.45Å; L471-R473 VanDerWaalsContact C-N 3.26Å; L471-R473 PolarHBondContact O-N 2.8Å; R473-C475 PolarHBondContact O-N 3.42Å; R473-K476 PolarHBondContact O-N 2.91Å; R473-K476 VanDerWaalsContact O-N 3.1Å; R473-T477 WeakPolarHBondContact O-CG2 3.35Å; R473-T477 PolarHBondContact O-N 3.33Å; R473-T477 PolarHBondContact O-OG1 2.75Å
474Y85.2Confident78.9Confident39 Ų3983.9 Ų83.915%0.15341%0.409CS..Hα-helixtrans-62.1-41.2176.9-69.5-57.9000112.5L416 S417 F420 V470 L471 K476 T477 E478L416-Y474 HydrophobicContact CB-CD2 4.12Å; L416-Y474 HydrophobicContact CB-CE2 4.37Å; S417-Y474 WeakPolarHBondContact CA-OH 3.42Å; S417-Y474 PolarHBondContact OG-OH 3.49Å; F420-Y474 HydrophobicContact CB-CD1 3.85Å; F420-Y474 HydrophobicContact CB-CE1 3.55Å; F420-Y474 HydrophobicContact CD2-CD1 4.39Å; F420-Y474 HydrophobicContact CG-CD1 4.43Å; V470-Y474 HydrophobicContact CG1-CD2 3.85Å; V470-Y474 HydrophobicContact CG1-CE2 3.37Å; V470-Y474 WeakPolarHBondContact O-CD2 3.29Å; V470-Y474 PolarHBondContact O-N 3.4Å; L471-Y474 PolarHBondContact O-N 3.45Å; Y474-K476 PolarHBondContact O-N 2.78Å; Y474-T477 PolarHBondContact O-N 2.89Å; Y474-T477 PolarHBondContact O-OG1 3.32Å; Y474-T477 VanDerWaalsContact O-OG1 3.14Å; Y474-E478 WeakPolarHBondContact O-CG 3.34Å; Y474-E478 PolarHBondContact O-N 3.05Å
475C83.6Confident79Confident37 Ų3787.1 Ų87.125%0.2542%0.423CS..Hα-helixtrans-59.6-34.3174.4-67.30000112.6L471 R473 F479L471-C475 PolarHBondContact O-N 2.95Å; L471-C475 PolarHBondContact O-SG 2.95Å; R473-C475 PolarHBondContact O-N 3.42Å; C475-F479 WeakPolarHBondContact O-CB 3.38Å; C475-F479 PolarHBondContact O-N 3.09Å; C475-F479 VanDerWaalsContact O-O 3.1Å
476K82.3Confident78.7Confident146 Ų14685.3 Ų85.364%0.63542%0.418SS*.Hα-helixtrans-78-29.8178.3-75.5179.4178.8-1760113.6S472 R473 Y474S472-K476 WeakPolarHBondContact O-CG 3.39Å; S472-K476 PolarHBondContact O-N 2.82Å; R473-K476 PolarHBondContact O-N 2.91Å; R473-K476 VanDerWaalsContact O-N 3.1Å; Y474-K476 PolarHBondContact O-N 2.78Å
477T77.7Confident78.2Confident88 Ų8885 Ų8554%0.5442%0.417SS..Hα-helixtrans-82.6-36.6-179.155.20000112.3R473 Y474R473-T477 WeakPolarHBondContact O-CG2 3.35Å; R473-T477 PolarHBondContact O-N 3.33Å; R473-T477 PolarHBondContact O-OG1 2.75Å; Y474-T477 PolarHBondContact O-N 2.89Å; Y474-T477 PolarHBondContact O-OG1 3.32Å; Y474-T477 VanDerWaalsContact O-OG1 3.14Å
478E69.8Low77.4Confident92 Ų9288.9 Ų88.943%0.4344%0.436SS..Hα-helixtrans-92.1-28.9-175.3-58.7-49.8121.500113.3F420 Y474F420-E478 HydrophobicContact CD1-CG 4.48Å; F420-E478 HydrophobicContact CE1-CG 4.29Å; F420-E478 HydrophobicContact CZ-CG 4.35Å; Y474-E478 WeakPolarHBondContact O-CG 3.34Å; Y474-E478 PolarHBondContact O-N 3.05Å
479F66.3Low76.7Confident92 Ų9292.9 Ų92.940%0.40446%0.455SS..SBendtrans-11793.7175.2-52.8-86.7000107.3F445 C475 F481F445-F479 AromaticContact CD1-CE2 3.88Å; F445-F479 HydrophobicContact CD1-CE2 3.88Å; F445-F479 AromaticContact CD2-CE2 3.51Å; F445-F479 HydrophobicContact CD2-CE2 3.51Å; F445-F479 AromaticContact CD2-CZ 3.63Å; F445-F479 HydrophobicContact CD2-CZ 3.63Å; F445-F479 AromaticContact CE1-CE2 3.88Å; F445-F479 HydrophobicContact CE1-CE2 3.88Å; F445-F479 AromaticContact CE2-CE2 3.51Å; F445-F479 HydrophobicContact CE2-CE2 3.51Å; F445-F479 AromaticContact CE2-CZ 3.92Å; F445-F479 HydrophobicContact CE2-CZ 3.92Å; F445-F479 AromaticContact CG-CE2 3.7Å; F445-F479 HydrophobicContact CG-CE2 3.7Å; F445-F479 HydrophobicContact CG-CZ 4.04Å; F445-F479 AromaticContact CZ-CE2 3.7Å; F445-F479 HydrophobicContact CZ-CE2 3.7Å; C475-F479 WeakPolarHBondContact O-CB 3.38Å; C475-F479 PolarHBondContact O-N 3.09Å; C475-F479 VanDerWaalsContact O-O 3.1Å; F479-F481 HydrophobicContact CB-CD2 4.14Å; F479-F481 HydrophobicContact CB-CE2 3.91Å; F479-F481 VanDerWaalsContact O-CD2 3.29Å; F479-F481 WeakPolarHBondContact O-CD2 3.2Å; F479-F481 PolarHBondContact O-N 3.21Å
480D49.3Very low75.7Confident162 Ų16296.9 Ų96.987%0.86647%0.467SS*.  trans-49.9104.6170.2-87.9-31.8000109
481F42Very low74.6Confident238 Ų238102.4 Ų102.4100%1.04449%0.489SS*.  trans-100.70172.9-86.8-73000110.9F479F479-F481 HydrophobicContact CB-CD2 4.14Å; F479-F481 HydrophobicContact CB-CE2 3.91Å; F479-F481 VanDerWaalsContact O-CD2 3.29Å; F479-F481 WeakPolarHBondContact O-CD2 3.2Å; F479-F481 PolarHBondContact O-N 3.21Å

Retrieved 481 of 481 residues in 243.5 ms (Link to these results)

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