A0A3Q0KSU3_SCHMA Loading...

Putative adenylate cyclase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KSU3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 559 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
1M43.1Very low64.4Low213 Ų213101.4 Ų101.4100%1.04954%0.536SS*.  0-38.50-82.2179.2156.700114.6K5M1-K5 PolarHBondContact O-N 3.11Å
2T51.8Low66.3Low81 Ų81105.2 Ų105.250%0.49754%0.538SS..Hα-helixtrans-69.9-33.2-177.648.20000114.7S4 K5 H6 K179T2-S4 VanDerWaalsContact C-N 3.35Å; T2-S4 PolarHBondContact O-N 3Å; T2-K5 PolarHBondContact O-N 3.22Å; T2-H6 PolarHBondContact O-CD2 3.32Å; T2-H6 PolarHBondContact O-N 3.3Å; T2-H6 VanDerWaalsContact O-N 3.12Å; T2-K179 PolarHBondContact OG1-NZ 3.18Å
3D49.6Very low68.2Low109 Ų10997.4 Ų97.458%0.58350%0.498SS*.Hα-helixtrans-61.8-41.3175.9-107.325.7000112.7H6 H7 K179D3-H6 PolarHBondContact O-N 2.81Å; D3-H7 VanDerWaalsContact O-CB 3.3Å; D3-H7 WeakPolarHBondContact O-CB 3.39Å; D3-H7 PolarHBondContact O-N 2.98Å; D3-K179 IonicContact OD1-NZ 3.94Å; D3-K179 PolarHBondContact OD1-NZ 2.85Å
4S58.4Low69.9Low90 Ų9093 Ų9363%0.62948%0.476SS*.Hα-helixtrans-61.5-44.8175.4170.90000111.2T2 H6 S8T2-S4 VanDerWaalsContact C-N 3.35Å; T2-S4 PolarHBondContact O-N 3Å; S4-H6 PolarHBondContact O-N 2.77Å; S4-S8 WeakPolarHBondContact O-CB 3.26Å; S4-S8 PolarHBondContact O-N 3.18Å
5K60.1Low71.4Confident158 Ų15889 Ų8969%0.68747%0.467SS*.Hα-helixtrans-63.2-38.3178.1-74.3-171.6177.4-177.80113.1M1 T2 S8 L9M1-K5 PolarHBondContact O-N 3.11Å; T2-K5 PolarHBondContact O-N 3.22Å; K5-S8 WeakPolarHBondContact O-CB 3.4Å; K5-L9 PolarHBondContact O-N 3.08Å
6H59.9Low72.8Confident80 Ų8084.8 Ų84.837%0.3745%0.445SS..Hα-helixtrans-84.5-38.4-177.5-76.1-65.4000114T2 D3 S4 S8 L9 K10 H175T2-H6 PolarHBondContact O-CD2 3.32Å; T2-H6 PolarHBondContact O-N 3.3Å; T2-H6 VanDerWaalsContact O-N 3.12Å; D3-H6 PolarHBondContact O-N 2.81Å; S4-H6 PolarHBondContact O-N 2.77Å; H6-S8 PolarHBondContact O-N 3.4Å; H6-L9 PolarHBondContact O-N 3.46Å; H6-L9 VanDerWaalsContact O-N 3.13Å; H6-K10 PolarHBondContact O-N 3.48Å; H6-H175 AromaticContact CE1-CE1 3.82Å; H6-H175 AromaticContact ND1-CE1 3.95Å; H6-H175 AromaticContact ND1-ND1 3.97Å
7H66.2Low74Confident134 Ų13479.9 Ų79.962%0.6242%0.419SS*.Hα-helixtrans-59.3-40.6167.4-171.6-75.9000109.7D3 K10 V11D3-H7 VanDerWaalsContact O-CB 3.3Å; D3-H7 WeakPolarHBondContact O-CB 3.39Å; D3-H7 PolarHBondContact O-N 2.98Å; H7-K10 PolarHBondContact O-N 3.16Å; H7-V11 WeakPolarHBondContact O-CB 3.46Å; H7-V11 VanDerWaalsContact O-CG2 3.26Å; H7-V11 WeakPolarHBondContact O-CG2 3.47Å; H7-V11 PolarHBondContact O-N 2.97Å
8S73.8Confident75.2Confident69 Ų6977.9 Ų77.948%0.48341%0.411SS..Hα-helixtrans-59.8-43.9171.3177.10000112.2S4 K5 H6 R12S4-S8 WeakPolarHBondContact O-CB 3.26Å; S4-S8 PolarHBondContact O-N 3.18Å; K5-S8 WeakPolarHBondContact O-CB 3.4Å; H6-S8 PolarHBondContact O-N 3.4Å; S8-R12 WeakPolarHBondContact O-CB 3.47Å; S8-R12 PolarHBondContact O-N 3.27Å
9L78.9Confident76.2Confident59 Ų5978.3 Ų78.331%0.30941%0.412SS..Hα-helixtrans-61.5-47.5176.5-175.468.4000112K5 H6 R12 V13 P245K5-L9 PolarHBondContact O-N 3.08Å; H6-L9 PolarHBondContact O-N 3.46Å; H6-L9 VanDerWaalsContact O-N 3.13Å; L9-R12 PolarHBondContact O-N 3.03Å; L9-V13 HydrophobicContact CD1-CG2 4.31Å; L9-V13 HydrophobicContact CG-CG2 4.41Å; L9-V13 VanDerWaalsContact O-CG2 3.32Å; L9-V13 WeakPolarHBondContact O-CG2 3.46Å; L9-V13 PolarHBondContact O-N 3.04Å; L9-P245 HydrophobicContact CD1-CG 4.19Å
10K81.2Confident77.1Confident40 Ų4074.4 Ų74.417%0.17439%0.392CS..Hα-helixtrans-60.2-50.4178.6173.1169.4-175.6179.10111.5H6 H7 R12 V13 I14 V168H6-K10 PolarHBondContact O-N 3.48Å; H7-K10 PolarHBondContact O-N 3.16Å; K10-R12 VanDerWaalsContact C-N 3.27Å; K10-R12 PolarHBondContact O-N 2.78Å; K10-V13 PolarHBondContact O-N 3.49Å; K10-I14 HydrophobicContact CD-CD1 4.41Å; K10-I14 HydrophobicContact CG-CD1 3.65Å; K10-I14 WeakPolarHBondContact O-CB 3.42Å; K10-I14 VanDerWaalsContact O-CG1 3.31Å; K10-I14 WeakPolarHBondContact O-CG1 3.45Å; K10-I14 PolarHBondContact O-N 2.88Å; K10-V168 HydrophobicContact CB-CG1 4.33Å; K10-V168 HydrophobicContact CD-CG1 4.14Å; K10-V168 HydrophobicContact CG-CG1 3.66Å
11V85Confident78Confident82 Ų8270.9 Ų70.950%0.49737%0.373SS..Hα-helixtrans-61.1-39.9178.1172.80000110.6H7 G15H7-V11 WeakPolarHBondContact O-CB 3.46Å; H7-V11 VanDerWaalsContact O-CG2 3.26Å; H7-V11 WeakPolarHBondContact O-CG2 3.47Å; H7-V11 PolarHBondContact O-N 2.97Å; V11-G15 PolarHBondContact O-N 3.34Å
12R88.1Confident80.4Confident147 Ų14763.4 Ų63.456%0.55534%0.339SS*.Hα-helixtrans-63.5-48.7176.4-178178.7177.6178.6-0.1112S8 L9 K10 G15 L16S8-R12 WeakPolarHBondContact O-CB 3.47Å; S8-R12 PolarHBondContact O-N 3.27Å; L9-R12 PolarHBondContact O-N 3.03Å; K10-R12 VanDerWaalsContact C-N 3.27Å; K10-R12 PolarHBondContact O-N 2.78Å; R12-G15 PolarHBondContact O-N 3.22Å; R12-L16 HydrophobicContact CG-CD1 4.09Å; R12-L16 WeakPolarHBondContact O-CB 3.41Å; R12-L16 VanDerWaalsContact O-CG 3.24Å; R12-L16 WeakPolarHBondContact O-CG 3.47Å; R12-L16 PolarHBondContact O-N 3.47Å
13V90.6Very high82.5Confident4 Ų460.3 Ų60.32%0.02432%0.32CS..Hα-helixtrans-63.8-45.8179.9174.70000110.8L9 K10 G15 L16 L17 I164 V168 L244 P245 T247L9-V13 HydrophobicContact CD1-CG2 4.31Å; L9-V13 HydrophobicContact CG-CG2 4.41Å; L9-V13 VanDerWaalsContact O-CG2 3.32Å; L9-V13 WeakPolarHBondContact O-CG2 3.46Å; L9-V13 PolarHBondContact O-N 3.04Å; K10-V13 PolarHBondContact O-N 3.49Å; V13-G15 VanDerWaalsContact C-N 3.35Å; V13-G15 PolarHBondContact O-N 3.38Å; V13-L16 PolarHBondContact O-N 3.44Å; V13-L17 VanDerWaalsContact O-CB 3.26Å; V13-L17 WeakPolarHBondContact O-CB 3.49Å; V13-L17 PolarHBondContact O-N 3.45Å; V13-I164 HydrophobicContact CG1-CG2 4.22Å; V13-V168 HydrophobicContact CB-CG2 4.31Å; V13-V168 HydrophobicContact CG1-CG2 3.68Å; V13-L244 HydrophobicContact CG1-CD1 4.36Å; V13-P245 HydrophobicContact CG2-CG 3.38Å; V13-T247 HydrophobicContact CG1-CG2 4.44Å
14I91.8Very high84.7Confident36 Ų3655.1 Ų55.119%0.18529%0.293CS..Hα-helixtrans-62.5-44.4177.7-66.9166.1000110.3K10 L16 L17 V18 V168 L195 F199K10-I14 HydrophobicContact CD-CD1 4.41Å; K10-I14 HydrophobicContact CG-CD1 3.65Å; K10-I14 WeakPolarHBondContact O-CB 3.42Å; K10-I14 VanDerWaalsContact O-CG1 3.31Å; K10-I14 WeakPolarHBondContact O-CG1 3.45Å; K10-I14 PolarHBondContact O-N 2.88Å; I14-L16 PolarHBondContact O-N 3.16Å; I14-L17 PolarHBondContact O-N 3.04Å; I14-V18 HydrophobicContact CG2-CG2 4.34Å; I14-V18 VanDerWaalsContact O-CG2 3.31Å; I14-V18 WeakPolarHBondContact O-CG2 3.39Å; I14-V18 PolarHBondContact O-N 3.11Å; I14-V168 HydrophobicContact CD1-CG1 4.23Å; I14-V168 HydrophobicContact CG1-CG1 4.28Å; I14-L195 HydrophobicContact CD1-CD1 4.07Å; I14-L195 HydrophobicContact CD1-CD2 3.98Å; I14-L195 HydrophobicContact CG1-CD2 4.38Å; I14-L195 HydrophobicContact CG2-CD2 4.12Å; I14-F199 HydrophobicContact CG2-CE2 4.42Å
15G92.6Very high86.4Confident33 Ų3351 Ų5134%0.3426%0.263SS..Hα-helixtrans-60.6-45.1177.400000112.9V11 R12 V13 V18 I19V11-G15 PolarHBondContact O-N 3.34Å; R12-G15 PolarHBondContact O-N 3.22Å; V13-G15 VanDerWaalsContact C-N 3.35Å; V13-G15 PolarHBondContact O-N 3.38Å; G15-V18 PolarHBondContact O-N 3.42Å; G15-I19 WeakPolarHBondContact O-CG1 3.37Å; G15-I19 PolarHBondContact O-N 2.6Å; G15-I19 VanDerWaalsContact O-N 3.15Å
16L93.6Very high88.1Confident21 Ų2144.9 Ų44.911%0.1124%0.238CC..Hα-helixtrans-60.3-47.4174-71171.3000111.3R12 V13 I14 V18 I19 M20 L240 C243 L244R12-L16 HydrophobicContact CG-CD1 4.09Å; R12-L16 WeakPolarHBondContact O-CB 3.41Å; R12-L16 VanDerWaalsContact O-CG 3.24Å; R12-L16 WeakPolarHBondContact O-CG 3.47Å; R12-L16 PolarHBondContact O-N 3.47Å; V13-L16 PolarHBondContact O-N 3.44Å; I14-L16 PolarHBondContact O-N 3.16Å; L16-V18 VanDerWaalsContact C-N 3.33Å; L16-V18 PolarHBondContact O-N 2.92Å; L16-I19 PolarHBondContact O-N 3.49Å; L16-M20 WeakPolarHBondContact O-CB 3.41Å; L16-M20 VanDerWaalsContact O-CG 3.25Å; L16-M20 WeakPolarHBondContact O-CG 3.43Å; L16-M20 PolarHBondContact O-N 3.34Å; L16-L240 HydrophobicContact CD2-CB 4.46Å; L16-L240 HydrophobicContact CD2-CD1 4.33Å; L16-L240 HydrophobicContact CD2-CD2 3.69Å; L16-L240 HydrophobicContact CD2-CG 4.37Å; L16-C243 HydrophobicContact CD1-CB 4.46Å; L16-C243 HydrophobicContact CD2-CB 4.44Å; L16-L244 HydrophobicContact CB-CD1 4.39Å
17L94Very high89.8Confident2 Ų241.1 Ų41.11%0.0122%0.22CC..Hα-helixtrans-64-38.3-178.4-166.867.2000111.6V13 I14 T21 V161 I164 Q165 F199V13-L17 VanDerWaalsContact O-CB 3.26Å; V13-L17 WeakPolarHBondContact O-CB 3.49Å; V13-L17 PolarHBondContact O-N 3.45Å; I14-L17 PolarHBondContact O-N 3.04Å; L17-T21 VanDerWaalsContact O-CB 3.23Å; L17-T21 WeakPolarHBondContact O-CB 3.46Å; L17-T21 PolarHBondContact O-N 3.03Å; L17-T21 PolarHBondContact O-OG1 3.32Å; L17-V161 HydrophobicContact CD1-CG1 4.36Å; L17-V161 HydrophobicContact CD1-CG2 4.21Å; L17-V161 HydrophobicContact CD2-CG1 4.04Å; L17-V161 HydrophobicContact CG-CG1 4.19Å; L17-I164 HydrophobicContact CD1-CD1 4.15Å; L17-I164 HydrophobicContact CD1-CG2 4.43Å; L17-I164 HydrophobicContact CD2-CB 4.31Å; L17-I164 HydrophobicContact CD2-CG2 3.94Å; L17-Q165 HydrophobicContact CD2-CG 3.97Å; L17-F199 HydrophobicContact CB-CE1 4.14Å; L17-F199 HydrophobicContact CB-CZ 3.93Å; L17-F199 HydrophobicContact CD2-CE1 3.89Å; L17-F199 HydrophobicContact CD2-CZ 3.73Å; L17-F199 HydrophobicContact CG-CE1 3.64Å; L17-F199 HydrophobicContact CG-CZ 3.78Å
18V95.1Very high91.1Very high45 Ų4534.8 Ų34.827%0.27319%0.191SC..Hα-helixtrans-60.9-51174.3166.10000110.6I14 G15 L16 M20 T21 V22 F199 I202I14-V18 HydrophobicContact CG2-CG2 4.34Å; I14-V18 VanDerWaalsContact O-CG2 3.31Å; I14-V18 WeakPolarHBondContact O-CG2 3.39Å; I14-V18 PolarHBondContact O-N 3.11Å; G15-V18 PolarHBondContact O-N 3.42Å; L16-V18 VanDerWaalsContact C-N 3.33Å; L16-V18 PolarHBondContact O-N 2.92Å; V18-M20 PolarHBondContact O-N 2.98Å; V18-T21 PolarHBondContact O-N 2.92Å; V18-V22 HydrophobicContact CG1-CG2 4.41Å; V18-V22 VanDerWaalsContact O-CG2 3.31Å; V18-V22 WeakPolarHBondContact O-CG2 3.49Å; V18-V22 PolarHBondContact O-N 2.91Å; V18-F199 HydrophobicContact CB-CZ 4.42Å; V18-F199 HydrophobicContact CG2-CE1 4.12Å; V18-F199 HydrophobicContact CG2-CE2 3.93Å; V18-F199 HydrophobicContact CG2-CZ 3.52Å; V18-I202 HydrophobicContact CG1-CD1 4.05Å; V18-I202 HydrophobicContact CG2-CD1 4.21Å
19I94.9Very high92Very high85 Ų8533 Ų3344%0.43618%0.175SC..Hα-helixtrans-59.7-51-179.9-62.8165.3000109.6G15 L16 T21 V22 T23 L240G15-I19 WeakPolarHBondContact O-CG1 3.37Å; G15-I19 PolarHBondContact O-N 2.6Å; G15-I19 VanDerWaalsContact O-N 3.15Å; L16-I19 PolarHBondContact O-N 3.49Å; I19-T21 VanDerWaalsContact C-N 3.31Å; I19-T21 PolarHBondContact O-N 3.45Å; I19-V22 PolarHBondContact O-N 3.21Å; I19-T23 HydrophobicContact CG2-CG2 4.24Å; I19-T23 WeakPolarHBondContact O-CB 3.4Å; I19-T23 WeakPolarHBondContact O-CG2 3.26Å; I19-T23 PolarHBondContact O-N 3.21Å; I19-T23 PolarHBondContact O-OG1 3.43Å; I19-L240 HydrophobicContact CB-CD1 3.79Å; I19-L240 HydrophobicContact CD1-CD1 4.46Å; I19-L240 HydrophobicContact CG2-CD1 3.49Å; I19-L240 VanDerWaalsContact CG2-CD1 3.49Å
20M94.2Very high92.7Very high0 Ų030.2 Ų30.20%016%0.161CC..Hα-helixtrans-57.6-42.3178.9-69.1177.371.500112.4L16 V18 T23 L24 F113 S237 L240 I241L16-M20 WeakPolarHBondContact O-CB 3.41Å; L16-M20 VanDerWaalsContact O-CG 3.25Å; L16-M20 WeakPolarHBondContact O-CG 3.43Å; L16-M20 PolarHBondContact O-N 3.34Å; V18-M20 PolarHBondContact O-N 2.98Å; M20-T23 PolarHBondContact O-OG1 3.45Å; M20-L24 WeakPolarHBondContact O-CB 3.18Å; M20-L24 PolarHBondContact O-N 2.99Å; M20-F113 HydrophobicContact CE-CD1 3.9Å; M20-F113 HydrophobicContact CE-CE1 3.34Å; M20-F113 HydrophobicContact CE-CZ 4.04Å; M20-S237 PolarHBondContact O-OG 3.16Å; M20-L240 HydrophobicContact CG-CB 3.59Å; M20-L240 HydrophobicContact CG-CD1 3.92Å; M20-L240 HydrophobicContact CG-CG 4.41Å; M20-L240 HydrophobicContact SD-CB 3.77Å; M20-I241 HydrophobicContact CE-CB 3.9Å; M20-I241 HydrophobicContact CE-CG1 4.28Å
21T94Very high93.4Very high1 Ų128.3 Ų28.31%0.00615%0.152CC..Hα-helixtrans-65.6-48.6179.8-59.50000110.7L17 V18 I19 T23 Y25 F199 I202L17-T21 VanDerWaalsContact O-CB 3.23Å; L17-T21 WeakPolarHBondContact O-CB 3.46Å; L17-T21 PolarHBondContact O-N 3.03Å; L17-T21 PolarHBondContact O-OG1 3.32Å; V18-T21 PolarHBondContact O-N 2.92Å; I19-T21 VanDerWaalsContact C-N 3.31Å; I19-T21 PolarHBondContact O-N 3.45Å; T21-T23 PolarHBondContact O-N 3.05Å; T21-Y25 HydrophobicContact CG2-CD1 4.43Å; T21-Y25 HydrophobicContact CG2-CD2 3.48Å; T21-Y25 VanDerWaalsContact CG2-CD2 3.48Å; T21-Y25 HydrophobicContact CG2-CE1 4.3Å; T21-Y25 HydrophobicContact CG2-CE2 3.3Å; T21-Y25 HydrophobicContact CG2-CG 4.07Å; T21-Y25 WeakPolarHBondContact O-CB 3.37Å; T21-Y25 PolarHBondContact O-N 2.63Å; T21-F199 HydrophobicContact CG2-CD1 4.04Å; T21-F199 HydrophobicContact CG2-CE1 4.49Å; T21-F199 WeakPolarHBondContact OG1-CE1 3.39Å; T21-I202 HydrophobicContact CG2-CG2 4.17Å
22V95.5Very high93.7Very high55 Ų5526.3 Ų26.333%0.33314%0.139SC..Hα-helixtrans-59.7-50.5179.2172.10000110.6V18 I19 L26 I202V18-V22 HydrophobicContact CG1-CG2 4.41Å; V18-V22 VanDerWaalsContact O-CG2 3.31Å; V18-V22 WeakPolarHBondContact O-CG2 3.49Å; V18-V22 PolarHBondContact O-N 2.91Å; I19-V22 PolarHBondContact O-N 3.21Å; V22-L26 WeakPolarHBondContact O-CB 3.5Å; V22-L26 PolarHBondContact O-N 3.15Å; V22-I202 HydrophobicContact CG2-CG2 3.5Å
23T95.4Very high93.9Very high17 Ų1721.2 Ų21.210%0.10412%0.12CC..Hα-helixtrans-70.2-43.5-174.156.20000111.5I19 M20 T21 A27 L233 P236 S237I19-T23 HydrophobicContact CG2-CG2 4.24Å; I19-T23 WeakPolarHBondContact O-CB 3.4Å; I19-T23 WeakPolarHBondContact O-CG2 3.26Å; I19-T23 PolarHBondContact O-N 3.21Å; I19-T23 PolarHBondContact O-OG1 3.43Å; M20-T23 PolarHBondContact O-OG1 3.45Å; T21-T23 PolarHBondContact O-N 3.05Å; T23-A27 WeakPolarHBondContact O-CB 3.36Å; T23-A27 PolarHBondContact O-N 3.47Å; T23-L233 CarbonylContact C-O 3.57Å; T23-L233 VanDerWaalsContact CB-O 3.27Å; T23-L233 WeakPolarHBondContact CB-O 3.32Å; T23-P236 HydrophobicContact CG2-CB 4Å; T23-P236 HydrophobicContact CG2-CG 4.04Å; T23-S237 PolarHBondContact OG1-OG 2.83Å
24L94.9Very high94Very high0 Ų021 Ų210%012%0.119CC..Hα-helixtrans-66.1-49.8177.9-17556.2000111.8M20 A27 V28 F113 L117 E120 L157 L234 S237M20-L24 WeakPolarHBondContact O-CB 3.18Å; M20-L24 PolarHBondContact O-N 2.99Å; L24-A27 WeakPolarHBondContact O-CB 3.31Å; L24-A27 PolarHBondContact O-N 3.36Å; L24-V28 HydrophobicContact CD1-CG2 4.28Å; L24-V28 WeakPolarHBondContact O-CG2 3.36Å; L24-V28 PolarHBondContact O-N 2.96Å; L24-F113 HydrophobicContact CD2-CE1 4.33Å; L24-F113 HydrophobicContact CD2-CZ 3.97Å; L24-L117 HydrophobicContact CD1-CD1 3.67Å; L24-L117 HydrophobicContact CD2-CD1 4.16Å; L24-E120 HydrophobicContact CD1-CB 4.18Å; L24-E120 HydrophobicContact CD1-CG 4.31Å; L24-L157 HydrophobicContact CD2-CD1 3.58Å; L24-L157 HydrophobicContact CD2-CD2 3.79Å; L24-L157 HydrophobicContact CD2-CG 4.27Å; L24-L157 HydrophobicContact CG-CD1 4.11Å; L24-L234 HydrophobicContact CD1-CD2 3.44Å; L24-L234 VanDerWaalsContact CD1-CD2 3.44Å; L24-S237 PolarHBondContact N-OG 3.47Å
25Y94.8Very high94Very high4 Ų419.9 Ų19.92%0.01611%0.114CC..Hα-helixtrans-69.3-41-174.2-68.53.8000111.1T21 A27 V28 E29 L154 L157 F158 A203T21-Y25 HydrophobicContact CG2-CD1 4.43Å; T21-Y25 HydrophobicContact CG2-CD2 3.48Å; T21-Y25 VanDerWaalsContact CG2-CD2 3.48Å; T21-Y25 HydrophobicContact CG2-CE1 4.3Å; T21-Y25 HydrophobicContact CG2-CE2 3.3Å; T21-Y25 HydrophobicContact CG2-CG 4.07Å; T21-Y25 WeakPolarHBondContact O-CB 3.37Å; T21-Y25 PolarHBondContact O-N 2.63Å; Y25-A27 VanDerWaalsContact C-N 3.31Å; Y25-A27 PolarHBondContact O-N 3.44Å; Y25-V28 PolarHBondContact O-N 2.92Å; Y25-E29 WeakPolarHBondContact O-CB 3.32Å; Y25-E29 VanDerWaalsContact O-CG 3.29Å; Y25-E29 WeakPolarHBondContact O-CG 3.41Å; Y25-E29 PolarHBondContact O-N 3.39Å; Y25-L154 HydrophobicContact CD1-CD1 3.35Å; Y25-L154 HydrophobicContact CE1-CD1 3.65Å; Y25-L154 HydrophobicContact CG-CD1 3.91Å; Y25-L157 HydrophobicContact CE1-CB 4.11Å; Y25-F158 HydrophobicContact CD2-CE1 4.03Å; Y25-F158 AromaticContact CD2-CZ 3.8Å; Y25-F158 HydrophobicContact CD2-CZ 3.8Å; Y25-F158 AromaticContact CE2-CD1 3.69Å; Y25-F158 HydrophobicContact CE2-CD1 3.69Å; Y25-F158 AromaticContact CE2-CE1 3.14Å; Y25-F158 HydrophobicContact CE2-CE1 3.14Å; Y25-F158 HydrophobicContact CE2-CE2 4.02Å; Y25-F158 HydrophobicContact CE2-CG 4.34Å; Y25-F158 AromaticContact CE2-CZ 3.29Å; Y25-F158 HydrophobicContact CE2-CZ 3.29Å; Y25-F158 AromaticContact CZ-CD1 3.81Å; Y25-F158 AromaticContact CZ-CE1 3.73Å; Y25-F158 AromaticContact CZ-CZ 3.88Å; Y25-F158 WeakPolarHBondContact OH-CA 3.32Å; Y25-F158 WeakPolarHBondContact OH-CD1 3.43Å; Y25-F158 WeakPolarHBondContact OH-CG 3.34Å; Y25-F158 PolarHBondContact OH-N 3.46Å; Y25-A203 HydrophobicContact CD2-CB 3.89Å; Y25-A203 HydrophobicContact CE2-CB 3.98Å
26L95Very high93.9Very high29 Ų2921.3 Ų21.315%0.15211%0.114CC..Hα-helixtrans-63.5-39.1174.7-172.163000111.6V22 L30 A209 I213 L233V22-L26 WeakPolarHBondContact O-CB 3.5Å; V22-L26 PolarHBondContact O-N 3.15Å; L26-L30 WeakPolarHBondContact O-CB 3.41Å; L26-L30 PolarHBondContact O-N 3.01Å; L26-A209 HydrophobicContact CD1-CB 4.18Å; L26-I213 HydrophobicContact CD1-CD1 4.27Å; L26-L233 HydrophobicContact CD2-CD1 4.09Å; L26-L233 HydrophobicContact CD2-CD2 4.49Å; L26-L233 HydrophobicContact CG-CD1 4.06Å
27A95.7Very high93.8Very high0 Ų023 Ų230%012%0.122CC..Hα-helixtrans-61.2-45.9175.800000112.4T23 L24 Y25 N31 S230 L233 L234T23-A27 WeakPolarHBondContact O-CB 3.36Å; T23-A27 PolarHBondContact O-N 3.47Å; L24-A27 WeakPolarHBondContact O-CB 3.31Å; L24-A27 PolarHBondContact O-N 3.36Å; Y25-A27 VanDerWaalsContact C-N 3.31Å; Y25-A27 PolarHBondContact O-N 3.44Å; A27-N31 VanDerWaalsContact O-CB 3.32Å; A27-N31 WeakPolarHBondContact O-CB 3.31Å; A27-N31 PolarHBondContact O-N 2.95Å; A27-S230 WeakPolarHBondContact CB-O 3.25Å; A27-L233 HydrophobicContact CB-CB 3.68Å; A27-L234 HydrophobicContact CB-CD2 3.55Å; A27-L234 HydrophobicContact CB-CG 3.78Å
28V94.1Very high93.7Very high1 Ų123.3 Ų23.31%0.00612%0.123CC..Hα-helixtrans-67-47.8-179.2174.50000110.9L24 Y25 L30 N31 L32 E120 L154L24-V28 HydrophobicContact CD1-CG2 4.28Å; L24-V28 WeakPolarHBondContact O-CG2 3.36Å; L24-V28 PolarHBondContact O-N 2.96Å; Y25-V28 PolarHBondContact O-N 2.92Å; V28-L30 VanDerWaalsContact C-N 3.32Å; V28-L30 PolarHBondContact O-N 3.27Å; V28-N31 PolarHBondContact O-N 3.08Å; V28-N31 VanDerWaalsContact O-N 3.15Å; V28-L32 HydrophobicContact CG1-CD1 4.12Å; V28-L32 HydrophobicContact CG1-CG 4.41Å; V28-L32 WeakPolarHBondContact O-CG 3.32Å; V28-L32 PolarHBondContact O-N 3.49Å; V28-E120 HydrophobicContact CG2-CB 4.33Å; V28-E120 HydrophobicContact CG2-CG 4.04Å; V28-E120 VanDerWaalsContact CG2-OE2 3.29Å; V28-E120 WeakPolarHBondContact CG2-OE2 3.42Å; V28-L154 HydrophobicContact CB-CD1 4.28Å; V28-L154 HydrophobicContact CG1-CD1 4.24Å
29E92.8Very high93.5Very high33 Ų3321.3 Ų21.315%0.15411%0.111CC..Hα-helixtrans-62.4-40177.9-70.9-63.915400112.1Y25 F33 L154 V207Y25-E29 WeakPolarHBondContact O-CB 3.32Å; Y25-E29 VanDerWaalsContact O-CG 3.29Å; Y25-E29 WeakPolarHBondContact O-CG 3.41Å; Y25-E29 PolarHBondContact O-N 3.39Å; E29-F33 PolarHBondContact O-N 2.69Å; E29-F33 VanDerWaalsContact O-N 3.13Å; E29-L154 WeakPolarHBondContact OE1-CD2 3.4Å; E29-V207 HydrophobicContact CG-CG2 4.05Å
30L93.8Very high93.2Very high0 Ų019.6 Ų19.60%010%0.1CC..Hα-helixtrans-62.8-44.7173.5-175.468000111.2L26 V28 F33 I34 I213 L217 T229 L233L26-L30 WeakPolarHBondContact O-CB 3.41Å; L26-L30 PolarHBondContact O-N 3.01Å; V28-L30 VanDerWaalsContact C-N 3.32Å; V28-L30 PolarHBondContact O-N 3.27Å; L30-F33 PolarHBondContact O-N 3.45Å; L30-I34 HydrophobicContact CD1-CD1 4.37Å; L30-I34 HydrophobicContact CD2-CD1 4.48Å; L30-I34 HydrophobicContact CG-CD1 3.83Å; L30-I34 WeakPolarHBondContact O-CB 3.46Å; L30-I34 WeakPolarHBondContact O-CD1 3.37Å; L30-I34 WeakPolarHBondContact O-CG1 3.4Å; L30-I34 PolarHBondContact O-N 2.99Å; L30-I213 HydrophobicContact CD1-CB 4.39Å; L30-I213 HydrophobicContact CD1-CG2 4.06Å; L30-L217 HydrophobicContact CD1-CD1 4.43Å; L30-L217 HydrophobicContact CD2-CD1 4.42Å; L30-T229 HydrophobicContact CD2-CG2 4.02Å; L30-L233 HydrophobicContact CD2-CD1 4.04Å
31N94.7Very high93Very high0 Ų022.6 Ų22.60%011%0.112CC..Hα-helixtrans-66.3-41.2179.4-177.270.3000112.6A27 V28 F33 I34 S35 V124 T127 M227A27-N31 VanDerWaalsContact O-CB 3.32Å; A27-N31 WeakPolarHBondContact O-CB 3.31Å; A27-N31 PolarHBondContact O-N 2.95Å; V28-N31 PolarHBondContact O-N 3.08Å; V28-N31 VanDerWaalsContact O-N 3.15Å; N31-F33 VanDerWaalsContact C-N 3.35Å; N31-F33 PolarHBondContact O-N 3.09Å; N31-I34 PolarHBondContact O-N 3.1Å; N31-S35 VanDerWaalsContact O-CB 3.31Å; N31-S35 WeakPolarHBondContact O-CB 3.39Å; N31-S35 PolarHBondContact O-N 3.25Å; N31-V124 HydrophobicContact CB-CG1 4.28Å; N31-V124 HydrophobicContact CB-CG2 3.81Å; N31-T127 WeakPolarHBondContact OD1-CG2 3.4Å; N31-M227 WeakPolarHBondContact OD1-CE 3.36Å
32L92.1Very high92.7Very high39 Ų3923.3 Ų23.320%0.20412%0.117CC..Hα-helixtrans-58.8-48.1174.9-72.7172.7000110.5V28 I34 S35 D36V28-L32 HydrophobicContact CG1-CD1 4.12Å; V28-L32 HydrophobicContact CG1-CG 4.41Å; V28-L32 WeakPolarHBondContact O-CG 3.32Å; V28-L32 PolarHBondContact O-N 3.49Å; L32-I34 PolarHBondContact O-N 2.97Å; L32-S35 WeakPolarHBondContact O-CB 3.38Å; L32-S35 PolarHBondContact O-N 3.01Å; L32-D36 PolarHBondContact O-N 2.92Å
33F92.1Very high92.4Very high40 Ų4020.7 Ų20.718%0.17510%0.101CC..Hα-helixtrans-61.3-44.1175.7-177.3-90.9000112.5E29 L30 N31 S35 D36 Q37 S211 I218E29-F33 PolarHBondContact O-N 2.69Å; E29-F33 VanDerWaalsContact O-N 3.13Å; L30-F33 PolarHBondContact O-N 3.45Å; N31-F33 VanDerWaalsContact C-N 3.35Å; N31-F33 PolarHBondContact O-N 3.09Å; F33-S35 VanDerWaalsContact C-N 3.33Å; F33-S35 PolarHBondContact O-N 3.37Å; F33-D36 PolarHBondContact O-N 3.4Å; F33-Q37 HydrophobicContact CD1-CG 3.96Å; F33-Q37 HydrophobicContact CE1-CG 3.47Å; F33-Q37 VanDerWaalsContact CE1-CG 3.47Å; F33-Q37 HydrophobicContact CE2-CG 4.19Å; F33-Q37 HydrophobicContact CG-CG 4.49Å; F33-Q37 HydrophobicContact CZ-CG 3.62Å; F33-Q37 WeakPolarHBondContact O-CB 3.1Å; F33-Q37 VanDerWaalsContact O-CG 3.3Å; F33-Q37 WeakPolarHBondContact O-CG 3.27Å; F33-Q37 PolarHBondContact O-N 2.89Å; F33-S211 WeakPolarHBondContact CD2-OG 3.22Å; F33-I218 HydrophobicContact CD1-CD1 4.25Å; F33-I218 HydrophobicContact CE1-CD1 4.06Å
34I92.4Very high92Very high0 Ų019.9 Ų19.90%010%0.096CC..Hα-helixtrans-60.3-44.9177-71161.9000110.8L30 N31 L32 Q37 Y38 I218 F223 A226 M227L30-I34 HydrophobicContact CD1-CD1 4.37Å; L30-I34 HydrophobicContact CD2-CD1 4.48Å; L30-I34 HydrophobicContact CG-CD1 3.83Å; L30-I34 WeakPolarHBondContact O-CB 3.46Å; L30-I34 WeakPolarHBondContact O-CD1 3.37Å; L30-I34 WeakPolarHBondContact O-CG1 3.4Å; L30-I34 PolarHBondContact O-N 2.99Å; N31-I34 PolarHBondContact O-N 3.1Å; L32-I34 PolarHBondContact O-N 2.97Å; I34-Q37 PolarHBondContact O-N 2.92Å; I34-Y38 WeakPolarHBondContact O-CB 3.48Å; I34-Y38 PolarHBondContact O-N 3.08Å; I34-I218 HydrophobicContact CG1-CD1 4.1Å; I34-F223 HydrophobicContact CG2-CD1 4.28Å; I34-A226 VanDerWaalsContact CD1-C 3.45Å; I34-A226 HydrophobicContact CD1-CB 3.64Å; I34-A226 WeakPolarHBondContact CD1-O 3.28Å; I34-A226 HydrophobicContact CG1-CB 3.9Å; I34-M227 HydrophobicContact CG2-SD 4.44Å
35S92.8Very high91.6Very high12 Ų1222.6 Ų22.68%0.08411%0.113CC..Hα-helixtrans-58-51.7178.2173.90000110.9N31 L32 F33 Q37 Y38 V39N31-S35 VanDerWaalsContact O-CB 3.31Å; N31-S35 WeakPolarHBondContact O-CB 3.39Å; N31-S35 PolarHBondContact O-N 3.25Å; L32-S35 WeakPolarHBondContact O-CB 3.38Å; L32-S35 PolarHBondContact O-N 3.01Å; F33-S35 VanDerWaalsContact C-N 3.33Å; F33-S35 PolarHBondContact O-N 3.37Å; S35-Q37 PolarHBondContact O-N 3.48Å; S35-Y38 PolarHBondContact O-N 2.91Å; S35-Y38 VanDerWaalsContact O-N 3.15Å; S35-V39 WeakPolarHBondContact O-CG2 3.29Å; S35-V39 PolarHBondContact O-N 3.12Å
36D90.7Very high91.2Very high63 Ų6328 Ų2834%0.33714%0.138SC..Hα-helixtrans-60.6-46.5179.8-65.7-11.4000111.3L32 F33 Y38 V39 F40L32-D36 PolarHBondContact O-N 2.92Å; F33-D36 PolarHBondContact O-N 3.4Å; D36-Y38 VanDerWaalsContact C-N 3.3Å; D36-Y38 PolarHBondContact O-N 3.45Å; D36-V39 PolarHBondContact O-N 2.95Å; D36-F40 PolarHBondContact O-N 3.13Å
37Q90.6Very high90.8Very high57 Ų5729.3 Ų29.327%0.26614%0.143SC..Hα-helixtrans-64.9-33.8176.9-66.8-54.7-65.200112.6F33 I34 S35 Y41 Y51 I218 F223F33-Q37 HydrophobicContact CD1-CG 3.96Å; F33-Q37 HydrophobicContact CE1-CG 3.47Å; F33-Q37 VanDerWaalsContact CE1-CG 3.47Å; F33-Q37 HydrophobicContact CE2-CG 4.19Å; F33-Q37 HydrophobicContact CG-CG 4.49Å; F33-Q37 HydrophobicContact CZ-CG 3.62Å; F33-Q37 WeakPolarHBondContact O-CB 3.1Å; F33-Q37 VanDerWaalsContact O-CG 3.3Å; F33-Q37 WeakPolarHBondContact O-CG 3.27Å; F33-Q37 PolarHBondContact O-N 2.89Å; I34-Q37 PolarHBondContact O-N 2.92Å; S35-Q37 PolarHBondContact O-N 3.48Å; Q37-Y41 VanDerWaalsContact O-CB 3.26Å; Q37-Y41 WeakPolarHBondContact O-CB 3.26Å; Q37-Y41 PolarHBondContact O-N 3.47Å; Q37-Y51 PolarHBondContact OE1-OH 3.29Å; Q37-I218 HydrophobicContact CB-CD1 3.94Å; Q37-I218 HydrophobicContact CG-CD1 4.17Å; Q37-F223 HydrophobicContact CB-CE1 3.86Å; Q37-F223 HydrophobicContact CB-CZ 4.19Å
38Y91.5Very high90.2Very high8 Ų832 Ų323%0.03117%0.171CC..Hα-helixtrans-73-37.8178.4-175.9-99.4000112I34 S35 D36 F40 Y41 S42 I130 V131 K134 L137 F223I34-Y38 WeakPolarHBondContact O-CB 3.48Å; I34-Y38 PolarHBondContact O-N 3.08Å; S35-Y38 PolarHBondContact O-N 2.91Å; S35-Y38 VanDerWaalsContact O-N 3.15Å; D36-Y38 VanDerWaalsContact C-N 3.3Å; D36-Y38 PolarHBondContact O-N 3.45Å; Y38-F40 VanDerWaalsContact C-N 3.33Å; Y38-Y41 HydrophobicContact CD2-CD1 4.21Å; Y38-Y41 HydrophobicContact CE2-CD1 4.14Å; Y38-Y41 HydrophobicContact CE2-CE1 4.49Å; Y38-Y41 PolarHBondContact O-N 3.49Å; Y38-S42 WeakPolarHBondContact CE1-OG 3.2Å; Y38-S42 WeakPolarHBondContact O-CB 3.26Å; Y38-S42 PolarHBondContact O-N 2.91Å; Y38-S42 PolarHBondContact O-OG 3.34Å; Y38-I130 HydrophobicContact CE1-CG2 4.17Å; Y38-V131 HydrophobicContact CD1-CG2 3.87Å; Y38-V131 HydrophobicContact CD2-CB 4.31Å; Y38-V131 HydrophobicContact CD2-CG1 3.95Å; Y38-V131 HydrophobicContact CD2-CG2 3.9Å; Y38-V131 HydrophobicContact CE1-CG2 4.21Å; Y38-V131 HydrophobicContact CE2-CB 4.25Å; Y38-V131 HydrophobicContact CE2-CG1 3.99Å; Y38-V131 HydrophobicContact CE2-CG2 4.23Å; Y38-V131 HydrophobicContact CG-CG2 3.7Å; Y38-K134 WeakPolarHBondContact OH-CA 3.24Å; Y38-L137 HydrophobicContact CD1-CD1 4.42Å; Y38-L137 HydrophobicContact CE1-CD1 4.33Å; Y38-F223 HydrophobicContact CD2-CD1 4.01Å; Y38-F223 HydrophobicContact CD2-CD2 4.49Å; Y38-F223 HydrophobicContact CD2-CE1 4.26Å; Y38-F223 HydrophobicContact CD2-CG 4.14Å
39V91.5Very high89.7Confident3 Ų332.2 Ų32.22%0.01817%0.172CC..Hα-helixtrans-58.9-48.4172.7167.10000110S35 D36 S42 A43 A78 L81 E82 L137 I140S35-V39 WeakPolarHBondContact O-CG2 3.29Å; S35-V39 PolarHBondContact O-N 3.12Å; D36-V39 PolarHBondContact O-N 2.95Å; V39-S42 PolarHBondContact O-N 3.41Å; V39-A43 WeakPolarHBondContact O-CB 3.16Å; V39-A43 PolarHBondContact O-N 2.87Å; V39-A78 HydrophobicContact CG1-CB 3.83Å; V39-L81 HydrophobicContact CG1-CB 4.4Å; V39-L81 HydrophobicContact CG1-CD2 3.98Å; V39-L81 HydrophobicContact CG2-CD2 4.18Å; V39-E82 HydrophobicContact CG1-CG 4.36Å; V39-L137 HydrophobicContact CG1-CD2 4.37Å; V39-L137 HydrophobicContact CG2-CD1 4.3Å; V39-I140 HydrophobicContact CG2-CG1 4.18Å; V39-I140 HydrophobicContact CG2-CG2 4.26Å
40F89Confident89.1Confident49 Ų4931.9 Ų31.922%0.21517%0.173CC..Hα-helixtrans-64.1-44.7175.8-173.8-119.4000112.6D36 Y38 S42 A43 V44 Y51 L71 Q75 A78D36-F40 PolarHBondContact O-N 3.13Å; Y38-F40 VanDerWaalsContact C-N 3.33Å; F40-S42 PolarHBondContact O-N 3.35Å; F40-A43 PolarHBondContact O-N 3.38Å; F40-V44 HydrophobicContact CD1-CG2 4.4Å; F40-V44 HydrophobicContact CD2-CG2 4.12Å; F40-V44 HydrophobicContact CE1-CG2 4.01Å; F40-V44 HydrophobicContact CE2-CG2 3.69Å; F40-V44 HydrophobicContact CG-CG2 4.44Å; F40-V44 HydrophobicContact CZ-CG2 3.64Å; F40-V44 WeakPolarHBondContact O-CB 3.23Å; F40-V44 VanDerWaalsContact O-CG2 3.27Å; F40-V44 WeakPolarHBondContact O-CG2 3.47Å; F40-V44 PolarHBondContact O-N 3.26Å; F40-Y51 AromaticContact CD1-CE2 3.79Å; F40-Y51 HydrophobicContact CD1-CE2 3.79Å; F40-Y51 HydrophobicContact CE1-CE2 4.27Å; F40-L71 HydrophobicContact CE2-CD1 4.46Å; F40-L71 HydrophobicContact CZ-CD1 3.89Å; F40-Q75 HydrophobicContact CE2-CG 3.59Å; F40-Q75 HydrophobicContact CZ-CG 4.24Å; F40-A78 HydrophobicContact CB-CB 4.45Å; F40-A78 HydrophobicContact CD2-CB 4.19Å
41Y88.8Confident88.3Confident63 Ų6333.2 Ų33.225%0.24718%0.178CC..Hα-helixtrans-54.5-49.3175.8167.3-92.9000112.7Q37 Y38 V44 T45 Y51 F223Q37-Y41 VanDerWaalsContact O-CB 3.26Å; Q37-Y41 WeakPolarHBondContact O-CB 3.26Å; Q37-Y41 PolarHBondContact O-N 3.47Å; Y38-Y41 HydrophobicContact CD2-CD1 4.21Å; Y38-Y41 HydrophobicContact CE2-CD1 4.14Å; Y38-Y41 HydrophobicContact CE2-CE1 4.49Å; Y38-Y41 PolarHBondContact O-N 3.49Å; Y41-V44 PolarHBondContact O-N 3Å; Y41-T45 HydrophobicContact CD2-CG2 4.36Å; Y41-T45 HydrophobicContact CE1-CG2 4.29Å; Y41-T45 HydrophobicContact CE2-CG2 3.92Å; Y41-T45 WeakPolarHBondContact O-CG2 3.35Å; Y41-T45 PolarHBondContact O-N 3.15Å; Y41-T45 PolarHBondContact O-OG1 3.47Å; Y41-Y51 VanDerWaalsContact CD2-CB 3.45Å; Y41-Y51 HydrophobicContact CD2-CD1 4.01Å; Y41-Y51 AromaticContact CD2-CD2 3.74Å; Y41-Y51 HydrophobicContact CD2-CD2 3.74Å; Y41-Y51 HydrophobicContact CD2-CE2 4.42Å; Y41-Y51 AromaticContact CD2-CG 3.48Å; Y41-Y51 HydrophobicContact CD2-CG 3.48Å; Y41-Y51 VanDerWaalsContact CD2-CG 3.48Å; Y41-Y51 HydrophobicContact CE2-CG 4.25Å; Y41-Y51 HydrophobicContact CG-CD2 4.28Å; Y41-Y51 HydrophobicContact CG-CG 4.42Å; Y41-F223 HydrophobicContact CD1-CE2 4.28Å; Y41-F223 AromaticContact CD2-CE2 3.71Å; Y41-F223 HydrophobicContact CD2-CE2 3.71Å; Y41-F223 HydrophobicContact CD2-CZ 4.41Å; Y41-F223 HydrophobicContact CE2-CE2 4.39Å; Y41-F223 AromaticContact CG-CE2 3.68Å; Y41-F223 HydrophobicContact CG-CE2 3.68Å; Y41-F223 HydrophobicContact CG-CZ 4.09Å
42S88.6Confident87.2Confident16 Ų1638.2 Ų38.211%0.11220%0.198CC..Hα-helixtrans-68.1-40-177.9-56.30000111.2Y38 V39 F40 V44 T45 E46 L137Y38-S42 WeakPolarHBondContact CE1-OG 3.2Å; Y38-S42 WeakPolarHBondContact O-CB 3.26Å; Y38-S42 PolarHBondContact O-N 2.91Å; Y38-S42 PolarHBondContact O-OG 3.34Å; V39-S42 PolarHBondContact O-N 3.41Å; F40-S42 PolarHBondContact O-N 3.35Å; S42-V44 VanDerWaalsContact C-N 3.35Å; S42-V44 PolarHBondContact O-N 2.86Å; S42-T45 WeakPolarHBondContact CA-OG1 3.42Å; S42-T45 PolarHBondContact O-N 3.06Å; S42-T45 PolarHBondContact O-OG1 3.27Å; S42-E46 WeakPolarHBondContact O-CB 3.45Å; S42-E46 PolarHBondContact O-N 2.96Å; S42-L137 VanDerWaalsContact CB-CD1 3.4Å
43A88.5Confident86.1Confident0 Ų039 Ų390%020%0.204CC..Hα-helixtrans-63.6-38.6175.800000112.6V39 F40 Q47 A74 K77 A78V39-A43 WeakPolarHBondContact O-CB 3.16Å; V39-A43 PolarHBondContact O-N 2.87Å; F40-A43 PolarHBondContact O-N 3.38Å; A43-Q47 WeakPolarHBondContact O-CG 3.27Å; A43-Q47 PolarHBondContact O-N 2.86Å; A43-A74 HydrophobicContact CB-CB 4.05Å; A43-A74 WeakPolarHBondContact O-CB 3.37Å; A43-K77 HydrophobicContact CB-CB 4.38Å; A43-K77 HydrophobicContact CB-CD 4.47Å; A43-A78 HydrophobicContact CB-CB 4.49Å
44V86.9Confident84.9Confident1 Ų144.6 Ų44.61%0.00623%0.228CC..Hα-helixtrans-69.4-44.1177.7170.80000111.2F40 Y41 S42 E46 Q47 L49 L71 A74F40-V44 HydrophobicContact CD1-CG2 4.4Å; F40-V44 HydrophobicContact CD2-CG2 4.12Å; F40-V44 HydrophobicContact CE1-CG2 4.01Å; F40-V44 HydrophobicContact CE2-CG2 3.69Å; F40-V44 HydrophobicContact CG-CG2 4.44Å; F40-V44 HydrophobicContact CZ-CG2 3.64Å; F40-V44 WeakPolarHBondContact O-CB 3.23Å; F40-V44 VanDerWaalsContact O-CG2 3.27Å; F40-V44 WeakPolarHBondContact O-CG2 3.47Å; F40-V44 PolarHBondContact O-N 3.26Å; Y41-V44 PolarHBondContact O-N 3Å; S42-V44 VanDerWaalsContact C-N 3.35Å; S42-V44 PolarHBondContact O-N 2.86Å; V44-E46 PolarHBondContact O-N 3.47Å; V44-Q47 PolarHBondContact O-N 3.34Å; V44-L49 HydrophobicContact CG1-CB 3.57Å; V44-L49 PolarHBondContact O-N 3.36Å; V44-L49 VanDerWaalsContact O-N 3.16Å; V44-L71 HydrophobicContact CG2-CD1 4.09Å; V44-A74 HydrophobicContact CB-CB 4.38Å; V44-A74 HydrophobicContact CG2-CB 3.72Å
45T87.4Confident83.7Confident56 Ų5653.4 Ų53.434%0.34427%0.267SS..Hα-helixtrans-67.5-34.1-179.549.10000113Y41 S42 Q47 G48 L49Y41-T45 HydrophobicContact CD2-CG2 4.36Å; Y41-T45 HydrophobicContact CE1-CG2 4.29Å; Y41-T45 HydrophobicContact CE2-CG2 3.92Å; Y41-T45 WeakPolarHBondContact O-CG2 3.35Å; Y41-T45 PolarHBondContact O-N 3.15Å; Y41-T45 PolarHBondContact O-OG1 3.47Å; S42-T45 WeakPolarHBondContact CA-OG1 3.42Å; S42-T45 PolarHBondContact O-N 3.06Å; S42-T45 PolarHBondContact O-OG1 3.27Å; T45-Q47 VanDerWaalsContact C-N 3.27Å; T45-Q47 PolarHBondContact O-N 2.97Å; T45-G48 WeakPolarHBondContact O-CA 3.22Å; T45-G48 PolarHBondContact O-N 3.37Å; T45-L49 WeakPolarHBondContact CA-O 3.44Å
46E87.3Confident82.7Confident119 Ų11955.3 Ų55.356%0.55627%0.274SS*.Hα-helixtrans-65-29.6172.9-169.9-179.4156.800112.9S42 V44 G48 K77S42-E46 WeakPolarHBondContact O-CB 3.45Å; S42-E46 PolarHBondContact O-N 2.96Å; V44-E46 PolarHBondContact O-N 3.47Å; E46-G48 PolarHBondContact O-N 3.17Å; E46-K77 IonicContact OE1-NZ 3.79Å; E46-K77 PolarHBondContact OE1-NZ 2.95Å; E46-K77 IonicContact OE2-NZ 2.77Å; E46-K77 PolarHBondContact OE2-NZ 3.26Å
47Q86Confident81.7Confident55 Ų5557.9 Ų57.926%0.25728%0.279SS..THydrogen-bonded Turntrans-782.1171.9-61.9-62.1-39.500113.1A43 V44 T45 L49 K70 A74A43-Q47 WeakPolarHBondContact O-CG 3.27Å; A43-Q47 PolarHBondContact O-N 2.86Å; V44-Q47 PolarHBondContact O-N 3.34Å; T45-Q47 VanDerWaalsContact C-N 3.27Å; T45-Q47 PolarHBondContact O-N 2.97Å; Q47-L49 VanDerWaalsContact C-N 3.3Å; Q47-K70 HydrophobicContact CB-CB 4.14Å; Q47-A74 HydrophobicContact CG-CB 4.14Å
48G83.8Confident80.7Confident56 Ų5662.9 Ų62.958%0.57730%0.302SS*.THydrogen-bonded Turntrans75.217-177.900000114T45 E46T45-G48 WeakPolarHBondContact O-CA 3.22Å; T45-G48 PolarHBondContact O-N 3.37Å; E46-G48 PolarHBondContact O-N 3.17Å
49L82.4Confident79.8Confident7 Ų768.7 Ų68.74%0.03733%0.325CS..PPolyproline II helixtrans-96.3142.5175.6-69.5175000110.4V44 T45 Q47 D67 K70 L71V44-L49 HydrophobicContact CG1-CB 3.57Å; V44-L49 PolarHBondContact O-N 3.36Å; V44-L49 VanDerWaalsContact O-N 3.16Å; T45-L49 WeakPolarHBondContact CA-O 3.44Å; Q47-L49 VanDerWaalsContact C-N 3.3Å; L49-D67 HydrophobicContact CD2-CB 3.77Å; L49-D67 WeakPolarHBondContact CD2-OD1 3.46Å; L49-K70 HydrophobicContact CD1-CB 3.66Å; L49-K70 HydrophobicContact CG-CB 4.19Å; L49-K70 HydrophobicContact CG-CD 4.42Å; L49-L71 HydrophobicContact CD1-CB 4.16Å
50P80.1Confident79Confident25 Ų2570.6 Ų70.616%0.16233%0.332CS..PPolyproline II helixtrans-75.3145.5172.234.9-36.7000109.8E56 Y60P50-E56 VanDerWaalsContact CB-CD 3.45Å; P50-E56 HydrophobicContact CB-CG 3.8Å; P50-E56 HydrophobicContact CG-CG 4.11Å; P50-E56 WeakPolarHBondContact CG-OE2 3.37Å; P50-Y60 HydrophobicContact CG-CE2 4.48Å; P50-Y60 VanDerWaalsContact O-CE2 3.31Å; P50-Y60 WeakPolarHBondContact O-CE2 3.37Å; P50-Y60 PolarHBondContact O-OH 2.87Å
51Y76.6Confident78.3Confident29 Ų2976 Ų7611%0.11436%0.355CS..PPolyproline II helixtrans-67.7147.5175.4-171.2-110.5000112Q37 F40 Y41 T53 F223Q37-Y51 PolarHBondContact OE1-OH 3.29Å; F40-Y51 AromaticContact CD1-CE2 3.79Å; F40-Y51 HydrophobicContact CD1-CE2 3.79Å; F40-Y51 HydrophobicContact CE1-CE2 4.27Å; Y41-Y51 VanDerWaalsContact CD2-CB 3.45Å; Y41-Y51 HydrophobicContact CD2-CD1 4.01Å; Y41-Y51 AromaticContact CD2-CD2 3.74Å; Y41-Y51 HydrophobicContact CD2-CD2 3.74Å; Y41-Y51 HydrophobicContact CD2-CE2 4.42Å; Y41-Y51 AromaticContact CD2-CG 3.48Å; Y41-Y51 HydrophobicContact CD2-CG 3.48Å; Y41-Y51 VanDerWaalsContact CD2-CG 3.48Å; Y41-Y51 HydrophobicContact CE2-CG 4.25Å; Y41-Y51 HydrophobicContact CG-CD2 4.28Å; Y41-Y51 HydrophobicContact CG-CG 4.42Å; Y51-T53 HydrophobicContact CD1-CG2 4.09Å; Y51-T53 PolarHBondContact O-N 3.18Å; Y51-F223 HydrophobicContact CE1-CZ 4.5Å
52Y72.1Confident77.8Confident105 Ų10580.1 Ų80.141%0.41238%0.381SS..  trans-66.6101.8-179.6-174.3-96.8000111.1R57 Y60Y52-R57 HydrophobicContact CE2-CB 4.18Å; Y52-R57 HydrophobicContact CE2-CG 4.15Å; Y52-R57 WeakPolarHBondContact OH-CG 3.47Å; Y52-R57 PolarHBondContact OH-NE 3.29Å; Y52-Y60 HydrophobicContact CD2-CD1 4.48Å; Y52-Y60 AromaticContact CD2-CD2 3.76Å; Y52-Y60 HydrophobicContact CD2-CD2 3.76Å; Y52-Y60 HydrophobicContact CD2-CE2 4.33Å; Y52-Y60 AromaticContact CD2-CG 3.84Å; Y52-Y60 HydrophobicContact CD2-CG 3.84Å; Y52-Y60 HydrophobicContact CE2-CG 4.42Å
53T69.1Low77.4Confident54 Ų5481 Ų8133%0.33138%0.384SS..  trans-125.7172.9176.861.20000110.3Y51 K55 E56 R57Y51-T53 HydrophobicContact CD1-CG2 4.09Å; Y51-T53 PolarHBondContact O-N 3.18Å; T53-K55 PolarHBondContact O-N 3Å; T53-K55 VanDerWaalsContact O-N 3.15Å; T53-E56 PolarHBondContact O-N 3.05Å; T53-E56 VanDerWaalsContact O-N 3.1Å; T53-R57 PolarHBondContact O-N 3.32Å
54K66Low77.3Confident158 Ų15883.5 Ų83.569%0.68740%0.402SS*.THydrogen-bonded Turntrans-51.5-38.5177.5-169.2176.5178.4-178.40112.8Y219K54-Y219 HydrophobicContact CB-CE2 4.16Å; K54-Y219 WeakPolarHBondContact CB-OH 3.47Å; K54-Y219 WeakPolarHBondContact CG-OH 3.26Å
55K68.4Low77.3Confident186 Ų18689.1 Ų89.181%0.80943%0.432SS*.THydrogen-bonded Turntrans-72.8-41.5-180-64.7-176.6179.6-178.90111.8T53 R57T53-K55 PolarHBondContact O-N 3Å; T53-K55 VanDerWaalsContact O-N 3.15Å; K55-R57 VanDerWaalsContact C-N 3.34Å; K55-R57 PolarHBondContact O-N 3.12Å
56E71.4Confident77.3Confident52 Ų5291.8 Ų91.824%0.24344%0.444CS..THydrogen-bonded Turntrans-82.7-10.7-174.6-65-67.8163.700113.6P50 T53 Q58 R59 Y60P50-E56 VanDerWaalsContact CB-CD 3.45Å; P50-E56 HydrophobicContact CB-CG 3.8Å; P50-E56 HydrophobicContact CG-CG 4.11Å; P50-E56 WeakPolarHBondContact CG-OE2 3.37Å; T53-E56 PolarHBondContact O-N 3.05Å; T53-E56 VanDerWaalsContact O-N 3.1Å; E56-Q58 PolarHBondContact O-N 3.29Å; E56-Q58 VanDerWaalsContact O-N 3.09Å; E56-R59 WeakPolarHBondContact O-CA 3.45Å; E56-R59 WeakPolarHBondContact O-CB 3.41Å; E56-R59 PolarHBondContact O-N 3.43Å; E56-R59 VanDerWaalsContact OE2-CD 3.26Å; E56-R59 WeakPolarHBondContact OE2-CD 3.37Å; E56-Y60 HydrophobicContact CB-CD2 4.37Å; E56-Y60 HydrophobicContact CB-CE2 4.44Å; E56-Y60 WeakPolarHBondContact O-CD2 3.48Å; E56-Y60 PolarHBondContact O-N 3.26Å; E56-Y60 VanDerWaalsContact O-N 3.15Å
57R68.8Low77.3Confident117 Ų11787.5 Ų87.544%0.44242%0.424SS..Hα-helixtrans-50.7-37.5177.8-178.4-177.5-71.4-160.60.2112.6Y52 T53 K55 K61Y52-R57 HydrophobicContact CE2-CB 4.18Å; Y52-R57 HydrophobicContact CE2-CG 4.15Å; Y52-R57 WeakPolarHBondContact OH-CG 3.47Å; Y52-R57 PolarHBondContact OH-NE 3.29Å; T53-R57 PolarHBondContact O-N 3.32Å; K55-R57 VanDerWaalsContact C-N 3.34Å; K55-R57 PolarHBondContact O-N 3.12Å; R57-K61 PolarHBondContact O-N 3.35Å
58Q71Confident77.2Confident161 Ų16189.3 Ų89.375%0.75243%0.431SS*.Hα-helixtrans-67.1-39.1177.6-72.5-176.4-1600112.3E56 Y60 K61E56-Q58 PolarHBondContact O-N 3.29Å; E56-Q58 VanDerWaalsContact O-N 3.09Å; Q58-Y60 VanDerWaalsContact C-N 3.33Å; Q58-Y60 PolarHBondContact O-N 3.04Å; Q58-K61 PolarHBondContact O-N 2.95Å
59R72.2Confident77.3Confident131 Ų13191.8 Ų91.849%0.49443%0.428SS..Hα-helixtrans-65-38178.1-166.6177.7179.8179.2-2.6111.8E56 K61 N62 I63E56-R59 WeakPolarHBondContact O-CA 3.45Å; E56-R59 WeakPolarHBondContact O-CB 3.41Å; E56-R59 PolarHBondContact O-N 3.43Å; E56-R59 VanDerWaalsContact OE2-CD 3.26Å; E56-R59 WeakPolarHBondContact OE2-CD 3.37Å; R59-K61 VanDerWaalsContact C-N 3.32Å; R59-K61 PolarHBondContact O-N 2.84Å; R59-N62 CarbonylContact O-C 3.27Å; R59-N62 PolarHBondContact O-N 3.39Å; R59-I63 PolarHBondContact O-N 3.33Å
60Y74.1Confident77.6Confident43 Ų4394.3 Ų94.317%0.16944%0.438CS..Hα-helixtrans-72.3-19.5177.6-83.6-88.9000114.4P50 Y52 E56 Q58 N62 I63 L71P50-Y60 HydrophobicContact CG-CE2 4.48Å; P50-Y60 VanDerWaalsContact O-CE2 3.31Å; P50-Y60 WeakPolarHBondContact O-CE2 3.37Å; P50-Y60 PolarHBondContact O-OH 2.87Å; Y52-Y60 HydrophobicContact CD2-CD1 4.48Å; Y52-Y60 AromaticContact CD2-CD2 3.76Å; Y52-Y60 HydrophobicContact CD2-CD2 3.76Å; Y52-Y60 HydrophobicContact CD2-CE2 4.33Å; Y52-Y60 AromaticContact CD2-CG 3.84Å; Y52-Y60 HydrophobicContact CD2-CG 3.84Å; Y52-Y60 HydrophobicContact CE2-CG 4.42Å; E56-Y60 HydrophobicContact CB-CD2 4.37Å; E56-Y60 HydrophobicContact CB-CE2 4.44Å; E56-Y60 WeakPolarHBondContact O-CD2 3.48Å; E56-Y60 PolarHBondContact O-N 3.26Å; E56-Y60 VanDerWaalsContact O-N 3.15Å; Q58-Y60 VanDerWaalsContact C-N 3.33Å; Q58-Y60 PolarHBondContact O-N 3.04Å; Y60-N62 VanDerWaalsContact C-N 3.35Å; Y60-I63 HydrophobicContact CD1-CD1 3.75Å; Y60-I63 HydrophobicContact CE1-CD1 3.81Å; Y60-L71 HydrophobicContact CE1-CD2 4.38Å
61K74.8Confident77.9Confident162 Ų16294.8 Ų94.870%0.70444%0.439SS*.Hα-helixtrans-67-36.4174.3-76-174.3175.9-171.70112.4R57 Q58 R59R57-K61 PolarHBondContact O-N 3.35Å; Q58-K61 PolarHBondContact O-N 2.95Å; R59-K61 VanDerWaalsContact C-N 3.32Å; R59-K61 PolarHBondContact O-N 2.84Å
62N78.7Confident78.4Confident150 Ų150100.2 Ų100.280%0.80246%0.463SS*.THydrogen-bonded Turntrans-116.946.4-177.7-65.1-7.2000110.6R59 Y60R59-N62 CarbonylContact O-C 3.27Å; R59-N62 PolarHBondContact O-N 3.39Å; Y60-N62 VanDerWaalsContact C-N 3.35Å
63I80.9Confident79.2Confident34 Ų3498.6 Ų98.617%0.17446%0.462CS..  trans-71.6130.5-177.6-166.3162.8000110.9R59 Y60 D67 K68R59-I63 PolarHBondContact O-N 3.33Å; Y60-I63 HydrophobicContact CD1-CD1 3.75Å; Y60-I63 HydrophobicContact CE1-CD1 3.81Å; I63-D67 HydrophobicContact CD1-CB 3.82Å; I63-D67 HydrophobicContact CG1-CB 3.36Å; I63-K68 HydrophobicContact CG2-CD 4.39Å; I63-K68 HydrophobicContact CG2-CG 3.73Å
64S85.2Confident80.1Confident52 Ų5296 Ų9636%0.36445%0.446SS..  trans-65.4156.5178.373.50000111.4L66 D67 K68S64-L66 PolarHBondContact O-N 3.4Å; S64-D67 PolarHBondContact O-N 2.96Å; S64-D67 VanDerWaalsContact O-N 3.08Å; S64-D67 WeakPolarHBondContact OG-CB 3.37Å; S64-D67 PolarHBondContact OG-N 3.15Å; S64-D67 VanDerWaalsContact OG-N 3.11Å; S64-D67 PolarHBondContact OG-OD2 3.16Å; S64-K68 WeakPolarHBondContact O-CG 3.38Å; S64-K68 PolarHBondContact O-N 3.45Å
65D86.3Confident81.1Confident119 Ų11993.1 Ų93.164%0.63644%0.435SS*.Hα-helixtrans-63.5-30.5177.4-68.7-34.2000112.5K68 H69D65-K68 PolarHBondContact O-N 3Å; D65-K68 IonicContact OD1-NZ 3.87Å; D65-K68 PolarHBondContact OD1-NZ 3.4Å; D65-H69 PolarHBondContact O-N 3.37Å
66L87.6Confident82Confident113 Ų11391.3 Ų91.359%0.59243%0.427SS*.Hα-helixtrans-62.9-44.2171.4-178.964.2000111.6S64 H69 K70S64-L66 PolarHBondContact O-N 3.4Å; L66-H69 WeakPolarHBondContact O-CB 3.26Å; L66-H69 PolarHBondContact O-N 2.97Å; L66-K70 PolarHBondContact O-N 3.25Å
67D87.2Confident82.8Confident29 Ų2991.4 Ų91.416%0.15543%0.426CS..Hα-helixtrans-71.1-32.9178.7-66.9-32.7000111.8L49 I63 S64 H69 K70 L71L49-D67 HydrophobicContact CD2-CB 3.77Å; L49-D67 WeakPolarHBondContact CD2-OD1 3.46Å; I63-D67 HydrophobicContact CD1-CB 3.82Å; I63-D67 HydrophobicContact CG1-CB 3.36Å; S64-D67 PolarHBondContact O-N 2.96Å; S64-D67 VanDerWaalsContact O-N 3.08Å; S64-D67 WeakPolarHBondContact OG-CB 3.37Å; S64-D67 PolarHBondContact OG-N 3.15Å; S64-D67 VanDerWaalsContact OG-N 3.11Å; S64-D67 PolarHBondContact OG-OD2 3.16Å; D67-H69 VanDerWaalsContact C-N 3.29Å; D67-H69 PolarHBondContact O-N 3.42Å; D67-K70 PolarHBondContact O-N 2.89Å; D67-L71 WeakPolarHBondContact O-CB 3.27Å; D67-L71 PolarHBondContact O-N 3.46Å
68K84.6Confident83.8Confident92 Ų9286 Ų8640%0.441%0.407SS..Hα-helixtrans-60.2-40.6168.9-67.3176.9-165.1157.20111.4I63 S64 D65 L71 K72I63-K68 HydrophobicContact CG2-CD 4.39Å; I63-K68 HydrophobicContact CG2-CG 3.73Å; S64-K68 WeakPolarHBondContact O-CG 3.38Å; S64-K68 PolarHBondContact O-N 3.45Å; D65-K68 PolarHBondContact O-N 3Å; D65-K68 IonicContact OD1-NZ 3.87Å; D65-K68 PolarHBondContact OD1-NZ 3.4Å; K68-L71 PolarHBondContact O-N 2.67Å; K68-K72 WeakPolarHBondContact O-CG 3.3Å; K68-K72 PolarHBondContact O-N 3.43Å; K68-K72 VanDerWaalsContact O-N 3.11Å
69H86.9Confident84.6Confident108 Ų10880.8 Ų80.850%0.539%0.392SS..Hα-helixtrans-65.2-45.9176-179.7-93.2000111.8D65 L66 D67 L71 K72 L73D65-H69 PolarHBondContact O-N 3.37Å; L66-H69 WeakPolarHBondContact O-CB 3.26Å; L66-H69 PolarHBondContact O-N 2.97Å; D67-H69 VanDerWaalsContact C-N 3.29Å; D67-H69 PolarHBondContact O-N 3.42Å; H69-L71 VanDerWaalsContact C-N 3.3Å; H69-L71 PolarHBondContact O-N 3.06Å; H69-K72 WeakPolarHBondContact O-CB 3.44Å; H69-K72 PolarHBondContact O-N 3.01Å; H69-K72 VanDerWaalsContact O-N 3.16Å; H69-L73 PolarHBondContact O-N 2.82Å
70K88.5Confident85.4Confident60 Ų6078.2 Ų78.226%0.26139%0.391SS..Hα-helixtrans-57.9-40.8173.9-74.4175176-1760112.6Q47 L49 L66 D67 K72 L73 A74Q47-K70 HydrophobicContact CB-CB 4.14Å; L49-K70 HydrophobicContact CD1-CB 3.66Å; L49-K70 HydrophobicContact CG-CB 4.19Å; L49-K70 HydrophobicContact CG-CD 4.42Å; L66-K70 PolarHBondContact O-N 3.25Å; D67-K70 PolarHBondContact O-N 2.89Å; K70-K72 PolarHBondContact O-N 3.24Å; K70-L73 WeakPolarHBondContact O-CB 3.31Å; K70-L73 PolarHBondContact O-N 3.48Å; K70-A74 PolarHBondContact O-N 2.92Å
71L86.1Confident86.2Confident36 Ų3676.3 Ų76.319%0.18838%0.383CS..Hα-helixtrans-62.4-42176.1-17364.7000111.7F40 V44 L49 Y60 D67 K68 H69 L73 A74 Q75F40-L71 HydrophobicContact CE2-CD1 4.46Å; F40-L71 HydrophobicContact CZ-CD1 3.89Å; V44-L71 HydrophobicContact CG2-CD1 4.09Å; L49-L71 HydrophobicContact CD1-CB 4.16Å; Y60-L71 HydrophobicContact CE1-CD2 4.38Å; D67-L71 WeakPolarHBondContact O-CB 3.27Å; D67-L71 PolarHBondContact O-N 3.46Å; K68-L71 PolarHBondContact O-N 2.67Å; H69-L71 VanDerWaalsContact C-N 3.3Å; H69-L71 PolarHBondContact O-N 3.06Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L71-L73 PolarHBondContact O-N 2.82Å; L71-A74 PolarHBondContact O-N 3.27Å; L71-Q75 WeakPolarHBondContact O-CG 3.45Å; L71-Q75 PolarHBondContact O-N 3.47Å
72K87.5Confident86.8Confident142 Ų14271.2 Ų71.262%0.61736%0.362SS*.Hα-helixtrans-62.5-38.5174.3-71.3177.1-180-178.30112.3K68 H69 K70 Q75 K76K68-K72 WeakPolarHBondContact O-CG 3.3Å; K68-K72 PolarHBondContact O-N 3.43Å; K68-K72 VanDerWaalsContact O-N 3.11Å; H69-K72 WeakPolarHBondContact O-CB 3.44Å; H69-K72 PolarHBondContact O-N 3.01Å; H69-K72 VanDerWaalsContact O-N 3.16Å; K70-K72 PolarHBondContact O-N 3.24Å; K72-Q75 PolarHBondContact O-N 3.27Å; K72-K76 WeakPolarHBondContact O-CB 3.3Å; K72-K76 PolarHBondContact O-N 2.92Å
73L88.2Confident87.2Confident71 Ų7166.6 Ų66.637%0.37234%0.344SS..Hα-helixtrans-63.8-43.4174.4-69.9176.1000111.7H69 K70 L71 K76 K77H69-L73 PolarHBondContact O-N 2.82Å; K70-L73 WeakPolarHBondContact O-CB 3.31Å; K70-L73 PolarHBondContact O-N 3.48Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L71-L73 PolarHBondContact O-N 2.82Å; L73-K76 PolarHBondContact O-N 3.41Å; L73-K77 PolarHBondContact O-N 2.91Å
74A88Confident87.5Confident0 Ų066.5 Ų66.50%035%0.349CS..Hα-helixtrans-62.1-45.2175.100000112A43 V44 Q47 K70 L71 K76 K77 A78A43-A74 HydrophobicContact CB-CB 4.05Å; A43-A74 WeakPolarHBondContact O-CB 3.37Å; V44-A74 HydrophobicContact CB-CB 4.38Å; V44-A74 HydrophobicContact CG2-CB 3.72Å; Q47-A74 HydrophobicContact CG-CB 4.14Å; K70-A74 PolarHBondContact O-N 2.92Å; L71-A74 PolarHBondContact O-N 3.27Å; A74-K76 PolarHBondContact O-N 3.06Å; A74-K77 PolarHBondContact O-N 3.4Å; A74-A78 WeakPolarHBondContact O-CB 3.23Å; A74-A78 PolarHBondContact O-N 3.28Å
75Q85.9Confident87.7Confident97 Ų9765 Ų6545%0.45334%0.338SS..Hα-helixtrans-59.2-45.5175-73.7176.3-26.200111.9F40 L71 K72 K77 A78 A79F40-Q75 HydrophobicContact CE2-CG 3.59Å; F40-Q75 HydrophobicContact CZ-CG 4.24Å; L71-Q75 WeakPolarHBondContact O-CG 3.45Å; L71-Q75 PolarHBondContact O-N 3.47Å; K72-Q75 PolarHBondContact O-N 3.27Å; Q75-K77 VanDerWaalsContact C-N 3.34Å; Q75-K77 PolarHBondContact O-N 3.5Å; Q75-A78 PolarHBondContact O-N 2.86Å; Q75-A79 VanDerWaalsContact O-CB 3.31Å; Q75-A79 WeakPolarHBondContact O-CB 3.48Å; Q75-A79 PolarHBondContact O-N 2.79Å
76K88.1Confident87.7Confident149 Ų14962.2 Ų62.265%0.64832%0.323SS*.Hα-helixtrans-59.5-44.5176.3-178.4179.7177.7-178.80111.4K72 L73 A74 T80K72-K76 WeakPolarHBondContact O-CB 3.3Å; K72-K76 PolarHBondContact O-N 2.92Å; L73-K76 PolarHBondContact O-N 3.41Å; A74-K76 PolarHBondContact O-N 3.06Å; K76-T80 WeakPolarHBondContact O-CB 3.36Å; K76-T80 PolarHBondContact O-N 2.95Å; K76-T80 PolarHBondContact O-OG1 2.95Å
77K89.1Confident87.6Confident53 Ų5360.1 Ų60.123%0.2332%0.318CS..Hα-helixtrans-63.9-47.9178.8-172.4176.2-175.2179.40111.5A43 E46 L73 A74 Q75 T80 L81A43-K77 HydrophobicContact CB-CB 4.38Å; A43-K77 HydrophobicContact CB-CD 4.47Å; E46-K77 IonicContact OE1-NZ 3.79Å; E46-K77 PolarHBondContact OE1-NZ 2.95Å; E46-K77 IonicContact OE2-NZ 2.77Å; E46-K77 PolarHBondContact OE2-NZ 3.26Å; L73-K77 PolarHBondContact O-N 2.91Å; A74-K77 PolarHBondContact O-N 3.4Å; Q75-K77 VanDerWaalsContact C-N 3.34Å; Q75-K77 PolarHBondContact O-N 3.5Å; K77-T80 PolarHBondContact O-N 2.85Å; K77-L81 PolarHBondContact O-N 3.02Å
78A89.3Confident87.6Confident3 Ų360.9 Ų60.93%0.02532%0.324CS..Hα-helixtrans-58.3-52177.500000111.5V39 F40 A43 A74 Q75 T80 L81 E82V39-A78 HydrophobicContact CG1-CB 3.83Å; F40-A78 HydrophobicContact CB-CB 4.45Å; F40-A78 HydrophobicContact CD2-CB 4.19Å; A43-A78 HydrophobicContact CB-CB 4.49Å; A74-A78 WeakPolarHBondContact O-CB 3.23Å; A74-A78 PolarHBondContact O-N 3.28Å; Q75-A78 PolarHBondContact O-N 2.86Å; A78-T80 VanDerWaalsContact C-N 3.3Å; A78-T80 PolarHBondContact O-N 3.46Å; A78-L81 PolarHBondContact O-N 3.14Å; A78-L81 VanDerWaalsContact O-N 3.12Å; A78-E82 WeakPolarHBondContact O-CB 2.99Å; A78-E82 WeakPolarHBondContact O-CG 3.2Å; A78-E82 PolarHBondContact O-N 3.43Å
79A87.8Confident87.8Confident53 Ų5358.7 Ų58.744%0.43831%0.313SS..Hα-helixtrans-59.9-38.1178.800000112.9Q75 A83Q75-A79 VanDerWaalsContact O-CB 3.31Å; Q75-A79 WeakPolarHBondContact O-CB 3.48Å; Q75-A79 PolarHBondContact O-N 2.79Å; A79-A83 WeakPolarHBondContact O-CB 3.49Å; A79-A83 PolarHBondContact O-N 2.96Å
80T89.1Confident87.8Confident77 Ų7754.6 Ų54.647%0.47230%0.295SS..Hα-helixtrans-66-42177.3-54.30000111.2K76 K77 A78 A84K76-T80 WeakPolarHBondContact O-CB 3.36Å; K76-T80 PolarHBondContact O-N 2.95Å; K76-T80 PolarHBondContact O-OG1 2.95Å; K77-T80 PolarHBondContact O-N 2.85Å; A78-T80 VanDerWaalsContact C-N 3.3Å; A78-T80 PolarHBondContact O-N 3.46Å; T80-A84 WeakPolarHBondContact O-CB 3.49Å; T80-A84 PolarHBondContact O-N 3.04Å
81L90Very high87.6Confident3 Ų355.9 Ų55.92%0.01631%0.307CS..Hα-helixtrans-71.5-41.6-179.8-175.862.5000112.2V39 K77 A78 A83 A84 S85 L137 W138 I140 L141V39-L81 HydrophobicContact CG1-CB 4.4Å; V39-L81 HydrophobicContact CG1-CD2 3.98Å; V39-L81 HydrophobicContact CG2-CD2 4.18Å; K77-L81 PolarHBondContact O-N 3.02Å; A78-L81 PolarHBondContact O-N 3.14Å; A78-L81 VanDerWaalsContact O-N 3.12Å; L81-A83 VanDerWaalsContact C-N 3.34Å; L81-A84 PolarHBondContact O-N 3.44Å; L81-S85 WeakPolarHBondContact O-CB 3.32Å; L81-S85 PolarHBondContact O-N 3.32Å; L81-L137 HydrophobicContact CD2-CB 4.22Å; L81-L137 HydrophobicContact CD2-CD2 3.74Å; L81-L137 HydrophobicContact CD2-CG 3.47Å; L81-L137 VanDerWaalsContact CD2-CG 3.47Å; L81-W138 HydrophobicContact CD1-CD2 4.05Å; L81-W138 HydrophobicContact CD1-CE3 3.49Å; L81-W138 VanDerWaalsContact CD1-CE3 3.49Å; L81-W138 HydrophobicContact CD1-CH2 4.48Å; L81-W138 HydrophobicContact CD1-CZ3 3.74Å; L81-I140 HydrophobicContact CD1-CG2 4.01Å; L81-I140 HydrophobicContact CD2-CG2 3.67Å; L81-I140 HydrophobicContact CG-CG2 3.75Å; L81-L141 HydrophobicContact CD1-CD1 3.68Å; L81-L141 HydrophobicContact CD1-CG 4.44Å
82E87Confident87.7Confident54 Ų5456.7 Ų56.725%0.25231%0.311SS..Hα-helixtrans-61.2-43173.7-73.6167.6-164.400111.1V39 A78 S85 N86V39-E82 HydrophobicContact CG1-CG 4.36Å; A78-E82 WeakPolarHBondContact O-CB 2.99Å; A78-E82 WeakPolarHBondContact O-CG 3.2Å; A78-E82 PolarHBondContact O-N 3.43Å; E82-S85 PolarHBondContact O-N 3.04Å; E82-N86 VanDerWaalsContact O-CB 3.28Å; E82-N86 WeakPolarHBondContact O-CB 3.48Å; E82-N86 PolarHBondContact O-N 2.7Å; E82-N86 PolarHBondContact O-ND2 2.71Å; E82-N86 VanDerWaalsContact O-ND2 3.16Å
83A87.1Confident87.7Confident53 Ų5349.9 Ų49.944%0.43828%0.282SS..Hα-helixtrans-62-43.717500000111.8A79 L81 S87A79-A83 WeakPolarHBondContact O-CB 3.49Å; A79-A83 PolarHBondContact O-N 2.96Å; L81-A83 VanDerWaalsContact C-N 3.34Å; A83-S87 VanDerWaalsContact O-CB 3.29Å; A83-S87 WeakPolarHBondContact O-CB 3.45Å; A83-S87 PolarHBondContact O-N 3.28Å; A83-S87 PolarHBondContact O-OG 3.43Å
84A89Confident87.6Confident33 Ų3347.7 Ų47.727%0.27327%0.27SS..Hα-helixtrans-63.7-47.6176.400000111.8T80 L81 S87 V88 L141T80-A84 WeakPolarHBondContact O-CB 3.49Å; T80-A84 PolarHBondContact O-N 3.04Å; L81-A84 PolarHBondContact O-N 3.44Å; A84-S87 PolarHBondContact O-N 2.75Å; A84-V88 WeakPolarHBondContact O-CG2 3.39Å; A84-V88 PolarHBondContact O-N 2.85Å; A84-L141 HydrophobicContact CB-CD2 4.19Å
85S88.7Confident87.4Confident19 Ų1952.7 Ų52.713%0.13330%0.296CS..Hα-helixtrans-60.1-48.4178.3-176.40000111.7L81 E82 S87 V88 R89L81-S85 WeakPolarHBondContact O-CB 3.32Å; L81-S85 PolarHBondContact O-N 3.32Å; E82-S85 PolarHBondContact O-N 3.04Å; S85-S87 VanDerWaalsContact C-N 3.33Å; S85-S87 PolarHBondContact O-N 3Å; S85-V88 PolarHBondContact O-N 2.96Å; S85-R89 WeakPolarHBondContact O-CB 3.17Å; S85-R89 PolarHBondContact O-N 3.36Å
86N86.3Confident87.6Confident61 Ų6149 Ų4933%0.32628%0.28SS..Hα-helixtrans-63.2-38176.7-79.6-44.2000112.5E82 R89 I90E82-N86 VanDerWaalsContact O-CB 3.28Å; E82-N86 WeakPolarHBondContact O-CB 3.48Å; E82-N86 PolarHBondContact O-N 2.7Å; E82-N86 PolarHBondContact O-ND2 2.71Å; E82-N86 VanDerWaalsContact O-ND2 3.16Å; N86-R89 PolarHBondContact O-N 3.41Å; N86-R89 PolarHBondContact OD1-NH2 2.94Å; N86-I90 WeakPolarHBondContact O-CB 3.49Å; N86-I90 WeakPolarHBondContact O-CG1 3.22Å; N86-I90 PolarHBondContact O-N 3.01Å
87S85.7Confident87.7Confident70 Ų7041.9 Ų41.949%0.4925%0.249SC..Hα-helixtrans-63.3-46.1177.6-62.50000111.7A83 A84 S85 T91A83-S87 VanDerWaalsContact O-CB 3.29Å; A83-S87 WeakPolarHBondContact O-CB 3.45Å; A83-S87 PolarHBondContact O-N 3.28Å; A83-S87 PolarHBondContact O-OG 3.43Å; A84-S87 PolarHBondContact O-N 2.75Å; S85-S87 VanDerWaalsContact C-N 3.33Å; S85-S87 PolarHBondContact O-N 3Å; S87-T91 VanDerWaalsContact O-CB 3.27Å; S87-T91 WeakPolarHBondContact O-CB 3.17Å; S87-T91 PolarHBondContact O-N 3.07Å; S87-T91 PolarHBondContact O-OG1 2.87Å
88V87.1Confident87.7Confident44 Ų4439.9 Ų39.927%0.26724%0.241SC..Hα-helixtrans-60.9-50.11761720000110.3A84 S85 I90 T91 I92 L141 L145A84-V88 WeakPolarHBondContact O-CG2 3.39Å; A84-V88 PolarHBondContact O-N 2.85Å; S85-V88 PolarHBondContact O-N 2.96Å; V88-I90 PolarHBondContact O-N 3.49Å; V88-T91 PolarHBondContact O-N 3.45Å; V88-I92 HydrophobicContact CG1-CD1 3.86Å; V88-I92 WeakPolarHBondContact O-CB 3.5Å; V88-I92 PolarHBondContact O-N 3.11Å; V88-I92 VanDerWaalsContact O-N 3.11Å; V88-L141 HydrophobicContact CG2-CD2 3.89Å; V88-L145 HydrophobicContact CG1-CB 4.11Å; V88-L145 HydrophobicContact CG1-CD1 3.97Å
89R89.1Confident87.7Confident47 Ų4741.4 Ų41.418%0.17725%0.249CC..Hα-helixtrans-62-43.7-177.5-173.617961.891.5-0.7112.6S85 N86 G93 E147 A148 R471S85-R89 WeakPolarHBondContact O-CB 3.17Å; S85-R89 PolarHBondContact O-N 3.36Å; N86-R89 PolarHBondContact O-N 3.41Å; N86-R89 PolarHBondContact OD1-NH2 2.94Å; R89-G93 WeakPolarHBondContact O-CA 3.27Å; R89-G93 PolarHBondContact O-N 3.49Å; R89-E147 VanDerWaalsContact CD-OE2 3.24Å; R89-E147 WeakPolarHBondContact CD-OE2 3.1Å; R89-E147 IonicContact NH1-OE1 2.83Å; R89-A148 WeakPolarHBondContact O-CB 3.4Å; R89-R471 PolarHBondContact O-NH2 2.84Å
90I85.9Confident87.7Confident22 Ų2239.1 Ų39.111%0.11323%0.229CC..Hα-helixtrans-70.5-48-179.8-67.4167.4000110.9N86 V88 G93 L94 R471 L475N86-I90 WeakPolarHBondContact O-CB 3.49Å; N86-I90 WeakPolarHBondContact O-CG1 3.22Å; N86-I90 PolarHBondContact O-N 3.01Å; V88-I90 PolarHBondContact O-N 3.49Å; I90-G93 PolarHBondContact O-N 3.03Å; I90-L94 HydrophobicContact CG2-CD1 4.32Å; I90-L94 VanDerWaalsContact O-CG 3.31Å; I90-L94 WeakPolarHBondContact O-CG 3.45Å; I90-L94 PolarHBondContact O-N 3.44Å; I90-R471 HydrophobicContact CG2-CG 4.38Å; I90-L475 HydrophobicContact CD1-CD1 4.35Å; I90-L475 HydrophobicContact CG2-CB 4.45Å; I90-L475 HydrophobicContact CG2-CD1 4.25Å; I90-L475 HydrophobicContact CG2-CD2 4.22Å
91T84.6Confident87.7Confident86 Ų8635.5 Ų35.553%0.52821%0.207SC..Hα-helixtrans-63.5-48.4-174.4-540000111.6S87 V88S87-T91 VanDerWaalsContact O-CB 3.27Å; S87-T91 WeakPolarHBondContact O-CB 3.17Å; S87-T91 PolarHBondContact O-N 3.07Å; S87-T91 PolarHBondContact O-OG1 2.87Å; V88-T91 PolarHBondContact O-N 3.45Å
92I88Confident87.5Confident53 Ų5336.6 Ų36.627%0.27221%0.211SC..Hα-helixtrans-72.3-39.3179.5-63.1173.6000110.1V88 L94 I95 T96 L145 A148 I149V88-I92 HydrophobicContact CG1-CD1 3.86Å; V88-I92 WeakPolarHBondContact O-CB 3.5Å; V88-I92 PolarHBondContact O-N 3.11Å; V88-I92 VanDerWaalsContact O-N 3.11Å; I92-L94 PolarHBondContact O-N 2.93Å; I92-I95 PolarHBondContact O-N 2.87Å; I92-T96 HydrophobicContact CG2-CG2 4.43Å; I92-T96 PolarHBondContact O-N 3.38Å; I92-T96 PolarHBondContact O-OG1 3.16Å; I92-L145 HydrophobicContact CD1-CD1 3.17Å; I92-A148 HydrophobicContact CB-CB 3.73Å; I92-A148 HydrophobicContact CG2-CB 3.7Å; I92-I149 HydrophobicContact CG2-CG1 4.19Å
93G87.8Confident87.5Confident0 Ų036 Ų360%021%0.209CC..Hα-helixtrans-62.1-29.5-179.900000113.3R89 I90 T96 T97R89-G93 WeakPolarHBondContact O-CA 3.27Å; R89-G93 PolarHBondContact O-N 3.49Å; I90-G93 PolarHBondContact O-N 3.03Å; G93-T96 WeakPolarHBondContact CA-OG1 3.29Å; G93-T96 PolarHBondContact O-OG1 2.9Å; G93-T97 WeakPolarHBondContact O-CB 3.36Å; G93-T97 PolarHBondContact O-N 3.15Å; G93-T97 PolarHBondContact O-OG1 3.08Å
94L86.3Confident87.7Confident24 Ų2433.4 Ų33.413%0.12619%0.188CC..Hα-helixtrans-60.6-49174.6-80.9169.1000111.6I90 I92 F468 R471 I472I90-L94 HydrophobicContact CG2-CD1 4.32Å; I90-L94 VanDerWaalsContact O-CG 3.31Å; I90-L94 WeakPolarHBondContact O-CG 3.45Å; I90-L94 PolarHBondContact O-N 3.44Å; I92-L94 PolarHBondContact O-N 2.93Å; L94-F468 HydrophobicContact CB-CD2 4.13Å; L94-F468 HydrophobicContact CB-CE2 3.82Å; L94-F468 HydrophobicContact CD2-CD2 3.65Å; L94-F468 HydrophobicContact CD2-CE2 3.76Å; L94-F468 HydrophobicContact CD2-CG 4.35Å; L94-F468 HydrophobicContact CG-CE2 4.36Å; L94-F468 WeakPolarHBondContact O-CD2 3.47Å; L94-F468 WeakPolarHBondContact O-CE2 3.45Å; L94-R471 HydrophobicContact CD2-CB 3.78Å; L94-R471 HydrophobicContact CD2-CG 3.88Å; L94-R471 HydrophobicContact CG-CG 4.36Å; L94-I472 HydrophobicContact CD1-CG1 4.5Å; L94-I472 HydrophobicContact CD2-CG1 3.82Å
95I84.5Confident87.6Confident105 Ų10532.8 Ų32.854%0.53818%0.18SC..Hα-helixtrans-66.1-45.4-176.7-59.3173.3000110.5I92 T97I92-I95 PolarHBondContact O-N 2.87Å; I95-T97 PolarHBondContact O-N 3.32Å
96T89.9Confident87.4Confident19 Ų1938.7 Ų38.712%0.11720%0.2CC..Hα-helixtrans-74.7-26.4-174.559.30000113.2I92 G93 L98 L99 V100 A148 I149 G151 G152I92-T96 HydrophobicContact CG2-CG2 4.43Å; I92-T96 PolarHBondContact O-N 3.38Å; I92-T96 PolarHBondContact O-OG1 3.16Å; G93-T96 WeakPolarHBondContact CA-OG1 3.29Å; G93-T96 PolarHBondContact O-OG1 2.9Å; T96-L98 VanDerWaalsContact C-N 3.3Å; T96-L98 PolarHBondContact O-N 3.22Å; T96-L99 PolarHBondContact O-N 3.49Å; T96-V100 PolarHBondContact O-N 3.4Å; T96-A148 VanDerWaalsContact CB-O 3.32Å; T96-A148 WeakPolarHBondContact CB-O 3.38Å; T96-A148 WeakPolarHBondContact CG2-O 3.41Å; T96-A148 PolarHBondContact OG1-O 3.44Å; T96-I149 WeakPolarHBondContact CG2-O 3.47Å; T96-G151 WeakPolarHBondContact OG1-CA 3.35Å; T96-G152 PolarHBondContact OG1-N 3.27Å
97T90.3Very high87.4Confident0 Ų042 Ų420%021%0.208CC..Hα-helixtrans-57.3-43.7175.4-62.80000111.1G93 I95 V100 G101 S464 A467 F468G93-T97 WeakPolarHBondContact O-CB 3.36Å; G93-T97 PolarHBondContact O-N 3.15Å; G93-T97 PolarHBondContact O-OG1 3.08Å; I95-T97 PolarHBondContact O-N 3.32Å; T97-V100 PolarHBondContact O-N 3.22Å; T97-G101 PolarHBondContact O-N 3.3Å; T97-S464 WeakPolarHBondContact O-CB 3.47Å; T97-A467 HydrophobicContact CG2-CB 4.04Å; T97-F468 HydrophobicContact CG2-CB 4.49Å
98L88.4Confident87.5Confident12 Ų1238.7 Ų38.76%0.06319%0.186CC..Hα-helixtrans-66.7-40.2178.7-65.3178.1000112.1T96 G101 Y102 I465 F468T96-L98 VanDerWaalsContact C-N 3.3Å; T96-L98 PolarHBondContact O-N 3.22Å; L98-G101 PolarHBondContact O-N 3.28Å; L98-Y102 PolarHBondContact O-N 3.42Å; L98-Y102 VanDerWaalsContact O-N 3.17Å; L98-I465 HydrophobicContact CD2-CB 4.49Å; L98-I465 HydrophobicContact CD2-CG1 3.88Å; L98-F468 HydrophobicContact CD1-CD1 4.48Å; L98-F468 HydrophobicContact CD1-CD2 3.95Å; L98-F468 HydrophobicContact CD1-CE2 3.96Å; L98-F468 HydrophobicContact CD1-CG 4.2Å; L98-F468 HydrophobicContact CD1-CZ 4.27Å; L98-F468 HydrophobicContact CD2-CB 3.72Å; L98-F468 HydrophobicContact CD2-CD1 4.38Å; L98-F468 HydrophobicContact CD2-CD2 4.25Å; L98-F468 HydrophobicContact CD2-CG 3.88Å; L98-F468 HydrophobicContact CG-CB 4.2Å; L98-F468 HydrophobicContact CG-CD2 3.85Å; L98-F468 HydrophobicContact CG-CE2 4.35Å; L98-F468 HydrophobicContact CG-CG 4.01Å
99L88.2Confident87.6Confident35 Ų3536.7 Ų36.718%0.18317%0.174CC..Hα-helixtrans-61.9-43.2177.4-67.3174.9000111.5T96 G101 Y102 L103 L286 V290T96-L99 PolarHBondContact O-N 3.49Å; L99-G101 VanDerWaalsContact C-N 3.3Å; L99-G101 PolarHBondContact O-N 3.01Å; L99-Y102 PolarHBondContact O-N 2.99Å; L99-L103 WeakPolarHBondContact O-CB 3.21Å; L99-L103 WeakPolarHBondContact O-CD1 3.28Å; L99-L103 VanDerWaalsContact O-CG 3.23Å; L99-L103 WeakPolarHBondContact O-CG 3.32Å; L99-L103 PolarHBondContact O-N 2.92Å; L99-L286 HydrophobicContact CD1-CD1 3.94Å; L99-L286 HydrophobicContact CD2-CD1 4.22Å; L99-V290 HydrophobicContact CD2-CG2 3.99Å
100V89.6Confident87.7Confident5 Ų538.8 Ų38.83%0.0318%0.181CC..Hα-helixtrans-62.7-37.41771720000111.7T96 T97 L103 S104 A112 L116 Q160T96-V100 PolarHBondContact O-N 3.4Å; T97-V100 PolarHBondContact O-N 3.22Å; V100-L103 PolarHBondContact O-N 3.5Å; V100-S104 WeakPolarHBondContact O-CB 3.46Å; V100-S104 PolarHBondContact O-N 3.13Å; V100-A112 HydrophobicContact CG1-CB 4.16Å; V100-L116 HydrophobicContact CG1-CD1 3.99Å; V100-L116 HydrophobicContact CG1-CD2 4.22Å; V100-L116 HydrophobicContact CG1-CG 4.04Å; V100-L116 HydrophobicContact CG2-CD2 4.31Å; V100-Q160 HydrophobicContact CG1-CG 4.34Å
101G87.5Confident87.9Confident0 Ų039.9 Ų39.90%019%0.194CC..Hα-helixtrans-59.9-46.5173.700000113.5T97 L98 L99 S104 D105 F461 S464T97-G101 PolarHBondContact O-N 3.3Å; L98-G101 PolarHBondContact O-N 3.28Å; L99-G101 VanDerWaalsContact C-N 3.3Å; L99-G101 PolarHBondContact O-N 3.01Å; G101-S104 WeakPolarHBondContact O-CB 3.3Å; G101-S104 PolarHBondContact O-N 3.42Å; G101-D105 PolarHBondContact O-N 3.36Å; G101-F461 PolarHBondContact O-N 3.28Å; G101-S464 WeakPolarHBondContact CA-OG 3.31Å; G101-S464 PolarHBondContact N-OG 2.99Å
102Y86.3Confident88.3Confident26 Ų2635.9 Ų35.910%0.10217%0.169CC..Hα-helixtrans-62.6-45175.4177.5-87.7000111.9L98 L99 S104 D105 R106L98-Y102 PolarHBondContact O-N 3.42Å; L98-Y102 VanDerWaalsContact O-N 3.17Å; L99-Y102 PolarHBondContact O-N 2.99Å; Y102-S104 VanDerWaalsContact C-N 3.26Å; Y102-S104 PolarHBondContact O-N 3.45Å; Y102-D105 PolarHBondContact O-N 2.86Å; Y102-R106 PolarHBondContact O-N 3.25Å; Y102-R106 PolarHBondContact OH-NH1 3.28Å
103L87.4Confident88.5Confident41 Ų4133.3 Ų33.322%0.21516%0.156CC..Hα-helixtrans-60.8-37.4176.8-70.9163.2000111.6L99 V100 R106 Y107 I115L99-L103 WeakPolarHBondContact O-CB 3.21Å; L99-L103 WeakPolarHBondContact O-CD1 3.28Å; L99-L103 VanDerWaalsContact O-CG 3.23Å; L99-L103 WeakPolarHBondContact O-CG 3.32Å; L99-L103 PolarHBondContact O-N 2.92Å; V100-L103 PolarHBondContact O-N 3.5Å; L103-R106 PolarHBondContact O-N 3.32Å; L103-Y107 HydrophobicContact CB-CD2 4.44Å; L103-Y107 HydrophobicContact CD2-CD2 3.61Å; L103-Y107 HydrophobicContact CD2-CE2 3.55Å; L103-Y107 WeakPolarHBondContact O-CB 3.35Å; L103-Y107 PolarHBondContact O-N 2.92Å; L103-I115 HydrophobicContact CD1-CD1 4.41Å
104S90.3Very high88.7Confident0 Ų034 Ų340%016%0.163CC..Hα-helixtrans-61.5-45.8177.8-173.10000112.6V100 G101 Y102 R106 G108 R109 Q160V100-S104 WeakPolarHBondContact O-CB 3.46Å; V100-S104 PolarHBondContact O-N 3.13Å; G101-S104 WeakPolarHBondContact O-CB 3.3Å; G101-S104 PolarHBondContact O-N 3.42Å; Y102-S104 VanDerWaalsContact C-N 3.26Å; Y102-S104 PolarHBondContact O-N 3.45Å; S104-R106 VanDerWaalsContact C-N 3.33Å; S104-R106 PolarHBondContact O-N 2.92Å; S104-G108 CarbonylContact O-C 3.58Å; S104-G108 VanDerWaalsContact O-C 3.27Å; S104-G108 VanDerWaalsContact O-CA 3.3Å; S104-G108 WeakPolarHBondContact O-CA 3.24Å; S104-G108 PolarHBondContact O-N 2.89Å; S104-G108 VanDerWaalsContact O-N 3.13Å; S104-R109 PolarHBondContact O-NH1 3.46Å; S104-R109 VanDerWaalsContact O-NH1 3.11Å; S104-R109 VanDerWaalsContact OG-CD 3.22Å; S104-R109 WeakPolarHBondContact OG-CD 3.48Å; S104-R109 PolarHBondContact OG-NH1 2.85Å; S104-Q160 PolarHBondContact OG-OE1 3.21Å
105D86.9Confident89.1Confident20 Ų2035.6 Ų35.611%0.10717%0.171CC..Hα-helixtrans-69.2-32178.7-72.5-25.5000111.9G101 Y102 R109 H248 G460 F461G101-D105 PolarHBondContact O-N 3.36Å; Y102-D105 PolarHBondContact O-N 2.86Å; D105-R109 IonicContact OD1-CZ 2.91Å; D105-R109 IonicContact OD1-NH1 2.8Å; D105-R109 PolarHBondContact OD1-NH1 3.44Å; D105-R109 IonicContact OD1-NH2 3.42Å; D105-R109 PolarHBondContact OD1-NH2 2.91Å; D105-H248 PolarHBondContact O-CE1 3.18Å; D105-H248 PolarHBondContact O-ND1 2.7Å; D105-G460 VanDerWaalsContact OD1-CA 3.28Å; D105-G460 WeakPolarHBondContact OD1-CA 3.29Å; D105-G460 PolarHBondContact OD1-N 3.12Å; D105-F461 WeakPolarHBondContact OD2-CB 3.37Å; D105-F461 PolarHBondContact OD2-N 3.06Å
106R84.9Confident89.6Confident143 Ų14330.7 Ų30.754%0.5415%0.146SC..Hα-helixtrans-85.3-51.8-176.6-171.2168-176.7156.60.2114Y102 L103 S104Y102-R106 PolarHBondContact O-N 3.25Å; Y102-R106 PolarHBondContact OH-NH1 3.28Å; L103-R106 PolarHBondContact O-N 3.32Å; S104-R106 VanDerWaalsContact C-N 3.33Å; S104-R106 PolarHBondContact O-N 2.92Å
107Y86.1Confident89.8Confident129 Ų12929.9 Ų29.951%0.50614%0.141SC..Hα-helixtrans-95.4-8.9-173.5-65.7-72.5000113.5L103L103-Y107 HydrophobicContact CB-CD2 4.44Å; L103-Y107 HydrophobicContact CD2-CD2 3.61Å; L103-Y107 HydrophobicContact CD2-CE2 3.55Å; L103-Y107 WeakPolarHBondContact O-CB 3.35Å; L103-Y107 PolarHBondContact O-N 2.92Å
108G88.4Confident89.9Confident2 Ų234.1 Ų34.12%0.02116%0.162CC..  trans101.8162-179.300000113.1S104 R110 A111 A112 E246S104-G108 CarbonylContact O-C 3.58Å; S104-G108 VanDerWaalsContact O-C 3.27Å; S104-G108 VanDerWaalsContact O-CA 3.3Å; S104-G108 WeakPolarHBondContact O-CA 3.24Å; S104-G108 PolarHBondContact O-N 2.89Å; S104-G108 VanDerWaalsContact O-N 3.13Å; G108-R110 PolarHBondContact O-N 2.73Å; G108-A111 PolarHBondContact O-N 2.9Å; G108-A112 PolarHBondContact O-N 2.95Å; G108-E246 WeakPolarHBondContact CA-OE2 3.29Å
109R90.2Very high90.3Very high2 Ų233.6 Ų33.61%0.00816%0.16CC..Hα-helixtrans-68.8-36.4-172.9-52-47178.1-161.8-0.7111.9S104 D105 A111 A112 F113 T163 I164 D167 E246 T247 H248S104-R109 PolarHBondContact O-NH1 3.46Å; S104-R109 VanDerWaalsContact O-NH1 3.11Å; S104-R109 VanDerWaalsContact OG-CD 3.22Å; S104-R109 WeakPolarHBondContact OG-CD 3.48Å; S104-R109 PolarHBondContact OG-NH1 2.85Å; D105-R109 IonicContact OD1-CZ 2.91Å; D105-R109 IonicContact OD1-NH1 2.8Å; D105-R109 PolarHBondContact OD1-NH1 3.44Å; D105-R109 IonicContact OD1-NH2 3.42Å; D105-R109 PolarHBondContact OD1-NH2 2.91Å; R109-A111 PolarHBondContact O-N 3.47Å; R109-A112 PolarHBondContact O-N 3.46Å; R109-F113 WeakPolarHBondContact O-CB 3.35Å; R109-F113 PolarHBondContact O-N 3.41Å; R109-T163 VanDerWaalsContact NE-CG2 3.25Å; R109-I164 HydrophobicContact CB-CD1 4.32Å; R109-I164 HydrophobicContact CB-CG1 3.8Å; R109-I164 HydrophobicContact CG-CG1 4.16Å; R109-D167 VanDerWaalsContact CG-OD2 3.31Å; R109-D167 WeakPolarHBondContact CG-OD2 3.36Å; R109-D167 IonicContact CZ-OD2 3.7Å; R109-D167 IonicContact NE-OD2 2.85Å; R109-D167 PolarHBondContact NE-OD2 3.38Å; R109-E246 VanDerWaalsContact N-CD 3.33Å; R109-E246 PolarHBondContact N-OE1 3.38Å; R109-E246 PolarHBondContact N-OE2 2.94Å; R109-E246 VanDerWaalsContact N-OE2 3.16Å; R109-T247 VanDerWaalsContact CG-OG1 3.23Å; R109-T247 WeakPolarHBondContact CG-OG1 3.48Å; R109-H248 HydrophobicContact CG-CB 4.19Å
110R91.2Very high90.6Very high91 Ų9132 Ų3234%0.34315%0.152SC..Hα-helixtrans-65.6-41.3-178.6179.6179.9167159.2-11.1111.5G108 G114 I241 F242 L244 E246G108-R110 PolarHBondContact O-N 2.73Å; R110-G114 PolarHBondContact O-N 3.26Å; R110-I241 PolarHBondContact NE-O 2.93Å; R110-F242 PolarHBondContact NH1-O 3.45Å; R110-F242 PolarHBondContact NH2-O 3.08Å; R110-L244 WeakPolarHBondContact CD-O 3.35Å; R110-L244 PolarHBondContact NH1-O 2.89Å; R110-L244 VanDerWaalsContact NH1-O 3.15Å; R110-E246 WeakPolarHBondContact CB-OE2 2.89Å; R110-E246 PolarHBondContact N-OE2 2.88Å
111A90.3Very high90.8Very high45 Ų4534.2 Ų34.237%0.37216%0.163SC..Hα-helixtrans-64.8-48.1178.700000111.2G108 R109 F113 G114 I115G108-A111 PolarHBondContact O-N 2.9Å; R109-A111 PolarHBondContact O-N 3.47Å; A111-F113 PolarHBondContact O-N 3.38Å; A111-G114 PolarHBondContact O-N 3.38Å; A111-G114 VanDerWaalsContact O-N 3.14Å; A111-I115 WeakPolarHBondContact O-CG1 3.34Å; A111-I115 PolarHBondContact O-N 3.15Å
112A92.1Very high91.2Very high1 Ų137 Ų371%0.00818%0.178CC..Hα-helixtrans-61.8-44.5177.600000112.7V100 G108 R109 G114 I115 L116V100-A112 HydrophobicContact CG1-CB 4.16Å; G108-A112 PolarHBondContact O-N 2.95Å; R109-A112 PolarHBondContact O-N 3.46Å; A112-G114 VanDerWaalsContact C-N 3.25Å; A112-G114 PolarHBondContact O-N 3.28Å; A112-I115 PolarHBondContact O-N 2.94Å; A112-L116 PolarHBondContact O-N 3.35Å
113F92.3Very high91.6Very high0 Ų036.1 Ų36.10%018%0.175CC..Hα-helixtrans-61.7-35.8174.9-162.9-82.2000111.8M20 L24 R109 A111 L116 L117 L157 Q160 V161 I164 I241M20-F113 HydrophobicContact CE-CD1 3.9Å; M20-F113 HydrophobicContact CE-CE1 3.34Å; M20-F113 HydrophobicContact CE-CZ 4.04Å; L24-F113 HydrophobicContact CD2-CE1 4.33Å; L24-F113 HydrophobicContact CD2-CZ 3.97Å; R109-F113 WeakPolarHBondContact O-CB 3.35Å; R109-F113 PolarHBondContact O-N 3.41Å; A111-F113 PolarHBondContact O-N 3.38Å; F113-L116 PolarHBondContact O-N 3.3Å; F113-L117 WeakPolarHBondContact O-CB 3.48Å; F113-L117 PolarHBondContact O-N 2.85Å; F113-L157 HydrophobicContact CD2-CD2 4.21Å; F113-L157 HydrophobicContact CE1-CD2 4.34Å; F113-L157 HydrophobicContact CE2-CD2 3.81Å; F113-L157 HydrophobicContact CZ-CD2 3.89Å; F113-Q160 HydrophobicContact CD2-CB 4.15Å; F113-V161 HydrophobicContact CE2-CG2 3.72Å; F113-I164 HydrophobicContact CD2-CD1 4.25Å; F113-I241 HydrophobicContact CD1-CD1 3.89Å; F113-I241 HydrophobicContact CD1-CG1 4.32Å
114G92.7Very high92Very high14 Ų1434.2 Ų34.214%0.14416%0.164CC..Hα-helixtrans-67-41.2177.200000113.8R110 A111 A112 L116 L117 I118R110-G114 PolarHBondContact O-N 3.26Å; A111-G114 PolarHBondContact O-N 3.38Å; A111-G114 VanDerWaalsContact O-N 3.14Å; A112-G114 VanDerWaalsContact C-N 3.25Å; A112-G114 PolarHBondContact O-N 3.28Å; G114-L116 VanDerWaalsContact C-N 3.32Å; G114-L116 PolarHBondContact O-N 3.35Å; G114-L117 PolarHBondContact O-N 2.78Å; G114-I118 VanDerWaalsContact O-CG1 3.29Å; G114-I118 WeakPolarHBondContact O-CG1 3.35Å; G114-I118 PolarHBondContact O-N 3.49Å
115I93.4Very high92.2Very high57 Ų5735.6 Ų35.629%0.29218%0.179SC..Hα-helixtrans-59.3-46.3174.9-66.7167.4000110L103 A111 A112 I118 G119 F150L103-I115 HydrophobicContact CD1-CD1 4.41Å; A111-I115 WeakPolarHBondContact O-CG1 3.34Å; A111-I115 PolarHBondContact O-N 3.15Å; A112-I115 PolarHBondContact O-N 2.94Å; I115-I118 PolarHBondContact O-N 3.41Å; I115-G119 PolarHBondContact O-N 3.13Å; I115-G119 VanDerWaalsContact O-N 3.11Å; I115-F150 HydrophobicContact CG2-CD1 4.08Å; I115-F150 WeakPolarHBondContact CG2-O 3.32Å
116L94.5Very high92.6Very high2 Ų236.6 Ų36.61%0.0118%0.184CC..Hα-helixtrans-63.8-42.1177.3-67.2171.5000112.4V100 A112 F113 G114 I118 G119 E120 F150 S156 L157 Q160V100-L116 HydrophobicContact CG1-CD1 3.99Å; V100-L116 HydrophobicContact CG1-CD2 4.22Å; V100-L116 HydrophobicContact CG1-CG 4.04Å; V100-L116 HydrophobicContact CG2-CD2 4.31Å; A112-L116 PolarHBondContact O-N 3.35Å; F113-L116 PolarHBondContact O-N 3.3Å; G114-L116 VanDerWaalsContact C-N 3.32Å; G114-L116 PolarHBondContact O-N 3.35Å; L116-I118 VanDerWaalsContact C-N 3.32Å; L116-I118 PolarHBondContact O-N 3.32Å; L116-G119 WeakPolarHBondContact O-CA 3.06Å; L116-G119 PolarHBondContact O-N 3.34Å; L116-G119 VanDerWaalsContact O-N 3.14Å; L116-E120 PolarHBondContact O-N 3.42Å; L116-F150 WeakPolarHBondContact CD2-O 3.48Å; L116-S156 WeakPolarHBondContact CD2-OG 3.37Å; L116-L157 HydrophobicContact CB-CD2 3.52Å; L116-L157 HydrophobicContact CB-CG 3.94Å; L116-L157 HydrophobicContact CD1-CD2 3.9Å; L116-L157 HydrophobicContact CD1-CG 4.11Å; L116-L157 HydrophobicContact CG-CD2 4.36Å; L116-Q160 HydrophobicContact CD1-CB 4.25Å; L116-Q160 HydrophobicContact CD1-CG 3.49Å; L116-Q160 VanDerWaalsContact CD1-CG 3.49Å
117L94.1Very high93.1Very high3 Ų329.8 Ų29.82%0.01616%0.158CC..Hα-helixtrans-63.7-38178.2-175.562.8000112L24 F113 G114 G119 E120 I121 I241L24-L117 HydrophobicContact CD1-CD1 3.67Å; L24-L117 HydrophobicContact CD2-CD1 4.16Å; F113-L117 WeakPolarHBondContact O-CB 3.48Å; F113-L117 PolarHBondContact O-N 2.85Å; G114-L117 PolarHBondContact O-N 2.78Å; L117-G119 VanDerWaalsContact C-N 3.32Å; L117-E120 PolarHBondContact O-N 2.99Å; L117-I121 HydrophobicContact CD1-CD1 4.41Å; L117-I121 HydrophobicContact CG-CD1 3.98Å; L117-I121 VanDerWaalsContact O-CG1 3.25Å; L117-I121 WeakPolarHBondContact O-CG1 3.39Å; L117-I121 PolarHBondContact O-N 3.21Å; L117-I241 HydrophobicContact CB-CD1 4.44Å; L117-I241 HydrophobicContact CD2-CB 4.11Å; L117-I241 HydrophobicContact CD2-CD1 3.85Å; L117-I241 HydrophobicContact CD2-CG2 4.1Å
118I94.4Very high93.5Very high88 Ų8823.7 Ų23.745%0.45113%0.134SC..Hα-helixtrans-61.4-43.9172.7-69.5163.7000110.2G114 I115 L116 E120 I121 L122 F150G114-I118 VanDerWaalsContact O-CG1 3.29Å; G114-I118 WeakPolarHBondContact O-CG1 3.35Å; G114-I118 PolarHBondContact O-N 3.49Å; I115-I118 PolarHBondContact O-N 3.41Å; L116-I118 VanDerWaalsContact C-N 3.32Å; L116-I118 PolarHBondContact O-N 3.32Å; I118-E120 VanDerWaalsContact C-N 3.35Å; I118-E120 PolarHBondContact O-N 3.08Å; I118-I121 PolarHBondContact O-N 3.45Å; I118-L122 HydrophobicContact CG2-CD1 4.03Å; I118-L122 HydrophobicContact CG2-CG 4.4Å; I118-L122 WeakPolarHBondContact O-CG 3.35Å; I118-L122 PolarHBondContact O-N 3.31Å; I118-F150 HydrophobicContact CG2-CD1 4.17Å; I118-F150 HydrophobicContact CG2-CE1 3.93Å; I118-F150 HydrophobicContact CG2-CZ 4.3Å
119G94.8Very high93.8Very high2 Ų227.9 Ų27.92%0.02116%0.156CC..Hα-helixtrans-55.1-47.7174.600000112.9I115 L116 L117 L122 H123 F150I115-G119 PolarHBondContact O-N 3.13Å; I115-G119 VanDerWaalsContact O-N 3.11Å; L116-G119 WeakPolarHBondContact O-CA 3.06Å; L116-G119 PolarHBondContact O-N 3.34Å; L116-G119 VanDerWaalsContact O-N 3.14Å; L117-G119 VanDerWaalsContact C-N 3.32Å; G119-L122 PolarHBondContact O-N 3.48Å; G119-H123 WeakPolarHBondContact O-CB 3.48Å; G119-H123 PolarHBondContact O-N 3.33Å; G119-F150 VanDerWaalsContact CA-CB 3.42Å
120E95.1Very high94Very high0 Ų028 Ų280%016%0.156CC..Hα-helixtrans-68.3-36.6178-66.5-59.8169.700112.9L24 V28 L116 L117 I118 H123 V124 G153 L154 L157L24-E120 HydrophobicContact CD1-CB 4.18Å; L24-E120 HydrophobicContact CD1-CG 4.31Å; V28-E120 HydrophobicContact CG2-CB 4.33Å; V28-E120 HydrophobicContact CG2-CG 4.04Å; V28-E120 VanDerWaalsContact CG2-OE2 3.29Å; V28-E120 WeakPolarHBondContact CG2-OE2 3.42Å; L116-E120 PolarHBondContact O-N 3.42Å; L117-E120 PolarHBondContact O-N 2.99Å; I118-E120 VanDerWaalsContact C-N 3.35Å; I118-E120 PolarHBondContact O-N 3.08Å; E120-H123 WeakPolarHBondContact O-CB 3.47Å; E120-H123 PolarHBondContact O-N 3.47Å; E120-H123 IonicContact OE2-ND1 2.78Å; E120-H123 PolarHBondContact OE2-ND1 3.05Å; E120-V124 WeakPolarHBondContact O-CG2 3.27Å; E120-V124 PolarHBondContact O-N 2.93Å; E120-G153 WeakPolarHBondContact OE1-CA 3.37Å; E120-L154 PolarHBondContact OE1-N 3.19Å; E120-L157 HydrophobicContact CG-CD1 3.66Å
121I94.6Very high94.1Very high53 Ų5323.9 Ų23.927%0.27214%0.142SC..Hα-helixtrans-65-41.7175.7-70.9165.5000110.8L117 I118 G125 L234 L238L117-I121 HydrophobicContact CD1-CD1 4.41Å; L117-I121 HydrophobicContact CG-CD1 3.98Å; L117-I121 VanDerWaalsContact O-CG1 3.25Å; L117-I121 WeakPolarHBondContact O-CG1 3.39Å; L117-I121 PolarHBondContact O-N 3.21Å; I118-I121 PolarHBondContact O-N 3.45Å; I121-G125 WeakPolarHBondContact O-CA 3.5Å; I121-G125 PolarHBondContact O-N 2.81Å; I121-L234 HydrophobicContact CG1-CD1 4.21Å; I121-L238 HydrophobicContact CD1-CB 4.41Å; I121-L238 HydrophobicContact CD1-CD1 3.77Å; I121-L238 HydrophobicContact CD1-CD2 4.37Å; I121-L238 HydrophobicContact CD1-CG 4.41Å
122L94.9Very high94.2Very high58 Ų5824.3 Ų24.330%0.30414%0.137SC..Hα-helixtrans-65-42174.9-70.7173.9000111.1I118 G119 I126 L146 F150I118-L122 HydrophobicContact CG2-CD1 4.03Å; I118-L122 HydrophobicContact CG2-CG 4.4Å; I118-L122 WeakPolarHBondContact O-CG 3.35Å; I118-L122 PolarHBondContact O-N 3.31Å; G119-L122 PolarHBondContact O-N 3.48Å; L122-I126 HydrophobicContact CB-CD1 4.4Å; L122-I126 VanDerWaalsContact O-CB 3.3Å; L122-I126 WeakPolarHBondContact O-CB 3.38Å; L122-I126 WeakPolarHBondContact O-CD1 3.36Å; L122-I126 VanDerWaalsContact O-CG1 3.23Å; L122-I126 WeakPolarHBondContact O-CG1 3.27Å; L122-I126 PolarHBondContact O-N 2.89Å; L122-L146 HydrophobicContact CB-CB 4.42Å; L122-L146 HydrophobicContact CB-CD1 4.49Å; L122-F150 HydrophobicContact CD1-CD2 3.99Å; L122-F150 HydrophobicContact CD1-CE2 3.5Å; L122-F150 VanDerWaalsContact CD1-CE2 3.5Å; L122-F150 HydrophobicContact CD1-CZ 4Å
123H94.8Very high94.3Very high8 Ų829.5 Ų29.54%0.03716%0.164CC..Hα-helixtrans-58.5-57176.8175.9-143.4000111.6G119 E120 T127 E147G119-H123 WeakPolarHBondContact O-CB 3.48Å; G119-H123 PolarHBondContact O-N 3.33Å; E120-H123 WeakPolarHBondContact O-CB 3.47Å; E120-H123 PolarHBondContact O-N 3.47Å; E120-H123 IonicContact OE2-ND1 2.78Å; E120-H123 PolarHBondContact OE2-ND1 3.05Å; H123-T127 VanDerWaalsContact O-CB 3.26Å; H123-T127 WeakPolarHBondContact O-CB 3.41Å; H123-T127 PolarHBondContact O-N 2.81Å; H123-T127 PolarHBondContact O-OG1 2.84Å; H123-E147 HydrophobicContact CB-CB 4.05Å; H123-E147 HydrophobicContact CB-CG 4.49Å; H123-E147 IonicContact CD2-OE2 3.18Å; H123-E147 IonicContact CE1-OE2 3.74Å; H123-E147 PolarHBondContact CE1-OE2 2.94Å; H123-E147 VanDerWaalsContact CE1-OE2 3.22Å; H123-E147 IonicContact CG-OE2 3.21Å; H123-E147 IonicContact ND1-OE2 2.94Å; H123-E147 PolarHBondContact ND1-OE2 3.21Å; H123-E147 IonicContact NE2-OE2 2.65Å
124V95.4Very high94.1Very high0 Ų036.9 Ų36.90%020%0.196CC..Hα-helixtrans-67.5-42.1-179.6-179.40000110.7N31 E120 T127 G128 M227 L231 L234N31-V124 HydrophobicContact CB-CG1 4.28Å; N31-V124 HydrophobicContact CB-CG2 3.81Å; E120-V124 WeakPolarHBondContact O-CG2 3.27Å; E120-V124 PolarHBondContact O-N 2.93Å; V124-T127 PolarHBondContact O-N 3.43Å; V124-G128 PolarHBondContact O-N 3.2Å; V124-M227 HydrophobicContact CB-CE 4.47Å; V124-M227 HydrophobicContact CG1-CE 3.4Å; V124-M227 VanDerWaalsContact CG1-CE 3.4Å; V124-M227 WeakPolarHBondContact O-CE 3.36Å; V124-L231 HydrophobicContact CB-CD2 4.41Å; V124-L231 HydrophobicContact CG1-CD2 3.71Å; V124-L231 HydrophobicContact CG1-CG 4.03Å; V124-L234 HydrophobicContact CB-CD1 3.62Å; V124-L234 HydrophobicContact CG1-CD1 3.83Å; V124-L234 HydrophobicContact CG2-CD1 3.78Å
125G95.2Very high94Very high29 Ų2939.2 Ų39.230%0.29921%0.205SC..Hα-helixtrans-61-4818000000114I121 G128 L129I121-G125 WeakPolarHBondContact O-CA 3.5Å; I121-G125 PolarHBondContact O-N 2.81Å; G125-G128 PolarHBondContact O-N 3.02Å; G125-L129 PolarHBondContact O-N 3.01Å
126I95.7Very high93.9Very high42 Ų4241.3 Ų41.322%0.21522%0.217CC..Hα-helixtrans-74-37-179.2-62.3166.1000110.4L122 G128 L129 I130 I142 P143 L146L122-I126 HydrophobicContact CB-CD1 4.4Å; L122-I126 VanDerWaalsContact O-CB 3.3Å; L122-I126 WeakPolarHBondContact O-CB 3.38Å; L122-I126 WeakPolarHBondContact O-CD1 3.36Å; L122-I126 VanDerWaalsContact O-CG1 3.23Å; L122-I126 WeakPolarHBondContact O-CG1 3.27Å; L122-I126 PolarHBondContact O-N 2.89Å; I126-G128 PolarHBondContact O-N 3.31Å; I126-L129 PolarHBondContact O-N 3.39Å; I126-I130 HydrophobicContact CG2-CD1 4.1Å; I126-I130 VanDerWaalsContact O-CG1 3.29Å; I126-I130 WeakPolarHBondContact O-CG1 3.43Å; I126-I130 PolarHBondContact O-N 3.33Å; I126-I142 HydrophobicContact CG2-CG2 4.44Å; I126-P143 HydrophobicContact CB-CG 4Å; I126-P143 HydrophobicContact CG2-CG 3.73Å; I126-L146 HydrophobicContact CD1-CD1 3.14Å
127T95Very high93.5Very high0 Ų041.7 Ų41.70%022%0.219CC..Hα-helixtrans-55.9-44.7169.7-57.90000110.1N31 H123 V124 L129 I130 V131 I140 P143N31-T127 WeakPolarHBondContact OD1-CG2 3.4Å; H123-T127 VanDerWaalsContact O-CB 3.26Å; H123-T127 WeakPolarHBondContact O-CB 3.41Å; H123-T127 PolarHBondContact O-N 2.81Å; H123-T127 PolarHBondContact O-OG1 2.84Å; V124-T127 PolarHBondContact O-N 3.43Å; T127-L129 PolarHBondContact O-N 3.02Å; T127-I130 PolarHBondContact O-N 3.31Å; T127-V131 HydrophobicContact CG2-CG2 4.43Å; T127-V131 VanDerWaalsContact O-CG2 3.26Å; T127-V131 WeakPolarHBondContact O-CG2 3.47Å; T127-V131 PolarHBondContact O-N 3.46Å; T127-I140 HydrophobicContact CG2-CD1 4.08Å; T127-P143 WeakPolarHBondContact OG1-CB 3.26Å
128G95Very high93.3Very high1 Ų147.8 Ų47.81%0.0124%0.242CC..Hα-helixtrans-62.8-41.3176.200000113.9V124 G125 I126 I130 V131 L132 M227V124-G128 PolarHBondContact O-N 3.2Å; G125-G128 PolarHBondContact O-N 3.02Å; I126-G128 PolarHBondContact O-N 3.31Å; G128-I130 VanDerWaalsContact C-N 3.34Å; G128-I130 PolarHBondContact O-N 2.74Å; G128-V131 PolarHBondContact O-N 3.3Å; G128-L132 VanDerWaalsContact O-CB 3.27Å; G128-L132 WeakPolarHBondContact O-CB 3.33Å; G128-L132 WeakPolarHBondContact O-CG 3.41Å; G128-L132 PolarHBondContact O-N 3.25Å; G128-M227 WeakPolarHBondContact CA-SD 3.31Å
129L95.1Very high93.3Very high90 Ų9046.4 Ų46.447%0.47124%0.235SC..Hα-helixtrans-61.2-43.5175.3-170.967.9000111.8G125 I126 T127 L133 L135G125-L129 PolarHBondContact O-N 3.01Å; I126-L129 PolarHBondContact O-N 3.39Å; T127-L129 PolarHBondContact O-N 3.02Å; L129-L133 HydrophobicContact CD1-CD1 3.42Å; L129-L133 VanDerWaalsContact CD1-CD1 3.42Å; L129-L133 HydrophobicContact CD1-CG 3.93Å; L129-L133 HydrophobicContact CG-CD1 3.88Å; L129-L133 HydrophobicContact CG-CG 4.45Å; L129-L133 WeakPolarHBondContact O-CB 3.43Å; L129-L133 PolarHBondContact O-N 3.19Å; L129-L135 HydrophobicContact CG-CD1 4.47Å
130I94.5Very high93.1Very high3 Ų346.6 Ų46.62%0.01524%0.236CC..Hα-helixtrans-60.3-48.1177.1-67.3162.6000110.4Y38 I126 T127 G128 K134 L135 L139 I140 P143Y38-I130 HydrophobicContact CE1-CG2 4.17Å; I126-I130 HydrophobicContact CG2-CD1 4.1Å; I126-I130 VanDerWaalsContact O-CG1 3.29Å; I126-I130 WeakPolarHBondContact O-CG1 3.43Å; I126-I130 PolarHBondContact O-N 3.33Å; T127-I130 PolarHBondContact O-N 3.31Å; G128-I130 VanDerWaalsContact C-N 3.34Å; G128-I130 PolarHBondContact O-N 2.74Å; I130-K134 WeakPolarHBondContact O-CA 3.43Å; I130-K134 PolarHBondContact O-N 2.92Å; I130-L135 HydrophobicContact CG1-CD1 4.27Å; I130-L135 HydrophobicContact CG2-CB 4.42Å; I130-L135 PolarHBondContact O-N 3.23Å; I130-L135 VanDerWaalsContact O-N 3.08Å; I130-L139 HydrophobicContact CD1-CB 3.89Å; I130-L139 WeakPolarHBondContact CD1-O 3.33Å; I130-L139 HydrophobicContact CG1-CB 4.12Å; I130-I140 HydrophobicContact CD1-CD1 4.3Å; I130-P143 HydrophobicContact CD1-CG 3.79Å
131V93Very high93Very high6 Ų648.4 Ų48.44%0.03625%0.245CC..Hα-helixtrans-65-46.2-179.21720000111.7Y38 T127 G128 F223Y38-V131 HydrophobicContact CD1-CG2 3.87Å; Y38-V131 HydrophobicContact CD2-CB 4.31Å; Y38-V131 HydrophobicContact CD2-CG1 3.95Å; Y38-V131 HydrophobicContact CD2-CG2 3.9Å; Y38-V131 HydrophobicContact CE1-CG2 4.21Å; Y38-V131 HydrophobicContact CE2-CB 4.25Å; Y38-V131 HydrophobicContact CE2-CG1 3.99Å; Y38-V131 HydrophobicContact CE2-CG2 4.23Å; Y38-V131 HydrophobicContact CG-CG2 3.7Å; T127-V131 HydrophobicContact CG2-CG2 4.43Å; T127-V131 VanDerWaalsContact O-CG2 3.26Å; T127-V131 WeakPolarHBondContact O-CG2 3.47Å; T127-V131 PolarHBondContact O-N 3.46Å; G128-V131 PolarHBondContact O-N 3.3Å; V131-F223 HydrophobicContact CG1-CB 3.78Å
132L92.1Very high93Very high53 Ų5349.4 Ų49.428%0.27725%0.25SS..Hα-helixtrans-71.4-41.7-175.3-69.4175.9000112.5G128 K134 Q224 F228G128-L132 VanDerWaalsContact O-CB 3.27Å; G128-L132 WeakPolarHBondContact O-CB 3.33Å; G128-L132 WeakPolarHBondContact O-CG 3.41Å; G128-L132 PolarHBondContact O-N 3.25Å; L132-K134 VanDerWaalsContact C-N 3.35Å; L132-Q224 HydrophobicContact CD2-CB 3.93Å; L132-Q224 HydrophobicContact CD2-CG 3.79Å; L132-F228 HydrophobicContact CD1-CE1 4.22Å; L132-F228 HydrophobicContact CD1-CZ 3.93Å; L132-F228 HydrophobicContact CD2-CE2 4.11Å; L132-F228 HydrophobicContact CD2-CZ 4.23Å
133L93.2Very high92.9Very high110 Ų11046.7 Ų46.758%0.57624%0.236SC*.Hα-helixtrans-89-0.9-179.9-61.3-176.6000113.5L129 L135L129-L133 HydrophobicContact CD1-CD1 3.42Å; L129-L133 VanDerWaalsContact CD1-CD1 3.42Å; L129-L133 HydrophobicContact CD1-CG 3.93Å; L129-L133 HydrophobicContact CG-CD1 3.88Å; L129-L133 HydrophobicContact CG-CG 4.45Å; L129-L133 WeakPolarHBondContact O-CB 3.43Å; L129-L133 PolarHBondContact O-N 3.19Å; L133-L135 VanDerWaalsContact C-N 3.31Å; L133-L135 HydrophobicContact CB-CD1 4.42Å; L133-L135 HydrophobicContact CB-CD2 3.62Å; L133-L135 HydrophobicContact CB-CG 3.78Å; L133-L135 HydrophobicContact CD1-CD2 4.34Å; L133-L135 PolarHBondContact O-N 3.01Å
134K89.7Confident92.8Very high155 Ų15546.4 Ų46.467%0.67424%0.235SC*.THydrogen-bonded Turntrans51.748.1-177.1-57.3-179.2-178.1178.90112.8Y38 I130 L132Y38-K134 WeakPolarHBondContact OH-CA 3.24Å; I130-K134 WeakPolarHBondContact O-CA 3.43Å; I130-K134 PolarHBondContact O-N 2.92Å; L132-K134 VanDerWaalsContact C-N 3.35Å
135L90.8Very high92.7Very high64 Ų6449.2 Ų49.234%0.33525%0.25SS..  trans-73173.5-176.9-53.6179.5000111.8L129 I130 L133 L137 L139L129-L135 HydrophobicContact CG-CD1 4.47Å; I130-L135 HydrophobicContact CG1-CD1 4.27Å; I130-L135 HydrophobicContact CG2-CB 4.42Å; I130-L135 PolarHBondContact O-N 3.23Å; I130-L135 VanDerWaalsContact O-N 3.08Å; L133-L135 VanDerWaalsContact C-N 3.31Å; L133-L135 HydrophobicContact CB-CD1 4.42Å; L133-L135 HydrophobicContact CB-CD2 3.62Å; L133-L135 HydrophobicContact CB-CG 3.78Å; L133-L135 HydrophobicContact CD1-CD2 4.34Å; L133-L135 PolarHBondContact O-N 3.01Å; L135-L137 PolarHBondContact O-N 3.17Å; L135-L139 HydrophobicContact CB-CD1 3.69Å; L135-L139 HydrophobicContact CD1-CD1 4.12Å
136N90.3Very high92.7Very high100 Ų10049.7 Ų49.754%0.53525%0.246SC..  trans-54.9131.2176.2-177.2-5000111.2W138 L139N136-W138 PolarHBondContact O-N 2.67Å; N136-W138 PolarHBondContact OD1-N 3.04Å; N136-L139 HydrophobicContact CB-CD1 4.2Å; N136-L139 HydrophobicContact CB-CG 4.25Å; N136-L139 VanDerWaalsContact O-CB 3.26Å; N136-L139 WeakPolarHBondContact O-CB 3.45Å; N136-L139 WeakPolarHBondContact O-CG 3.5Å; N136-L139 PolarHBondContact O-N 3.03Å
137L86.4Confident92.6Very high11 Ų1147.9 Ų47.96%0.05824%0.236CC..G310 helixtrans-57.4-34.9-176.5-15562.2000113.4Y38 V39 S42 L81 L135 L139 I140Y38-L137 HydrophobicContact CD1-CD1 4.42Å; Y38-L137 HydrophobicContact CE1-CD1 4.33Å; V39-L137 HydrophobicContact CG1-CD2 4.37Å; V39-L137 HydrophobicContact CG2-CD1 4.3Å; S42-L137 VanDerWaalsContact CB-CD1 3.4Å; L81-L137 HydrophobicContact CD2-CB 4.22Å; L81-L137 HydrophobicContact CD2-CD2 3.74Å; L81-L137 HydrophobicContact CD2-CG 3.47Å; L81-L137 VanDerWaalsContact CD2-CG 3.47Å; L135-L137 PolarHBondContact O-N 3.17Å; L137-L139 PolarHBondContact O-N 3.27Å; L137-L139 VanDerWaalsContact O-N 3.13Å; L137-I140 WeakPolarHBondContact O-CB 3.38Å; L137-I140 VanDerWaalsContact O-CG2 3.28Å; L137-I140 WeakPolarHBondContact O-CG2 3.5Å; L137-I140 PolarHBondContact O-N 2.59Å; L137-I140 VanDerWaalsContact O-N 3.08Å
138W89.7Confident92.5Very high130 Ų13047.9 Ų47.949%0.49224%0.236SC..G310 helixtrans-65-14.5178.2-70.199000113.5L81 N136 I140 L141L81-W138 HydrophobicContact CD1-CD2 4.05Å; L81-W138 HydrophobicContact CD1-CE3 3.49Å; L81-W138 VanDerWaalsContact CD1-CE3 3.49Å; L81-W138 HydrophobicContact CD1-CH2 4.48Å; L81-W138 HydrophobicContact CD1-CZ3 3.74Å; N136-W138 PolarHBondContact O-N 2.67Å; N136-W138 PolarHBondContact OD1-N 3.04Å; W138-I140 PolarHBondContact O-N 3.27Å; W138-L141 HydrophobicContact CE3-CD1 3.69Å; W138-L141 HydrophobicContact CZ3-CD1 4.31Å; W138-L141 VanDerWaalsContact O-CD1 3.22Å; W138-L141 WeakPolarHBondContact O-CD1 3.06Å; W138-L141 PolarHBondContact O-N 3.23Å
139L93.6Very high92.4Very high60 Ų6052 Ų5231%0.31426%0.257SS..G310 helixtrans-70.1-13.5173.9-61.8171.4000112.6I130 L135 N136 L137 L141 I142 P143I130-L139 HydrophobicContact CD1-CB 3.89Å; I130-L139 WeakPolarHBondContact CD1-O 3.33Å; I130-L139 HydrophobicContact CG1-CB 4.12Å; L135-L139 HydrophobicContact CB-CD1 3.69Å; L135-L139 HydrophobicContact CD1-CD1 4.12Å; N136-L139 HydrophobicContact CB-CD1 4.2Å; N136-L139 HydrophobicContact CB-CG 4.25Å; N136-L139 VanDerWaalsContact O-CB 3.26Å; N136-L139 WeakPolarHBondContact O-CB 3.45Å; N136-L139 WeakPolarHBondContact O-CG 3.5Å; N136-L139 PolarHBondContact O-N 3.03Å; L137-L139 PolarHBondContact O-N 3.27Å; L137-L139 VanDerWaalsContact O-N 3.13Å; L139-L141 PolarHBondContact O-N 3.38Å; L139-L141 VanDerWaalsContact O-N 3.12Å; L139-I142 HydrophobicContact CB-CD1 4.41Å; L139-I142 HydrophobicContact CD2-CD1 3.62Å; L139-I142 WeakPolarHBondContact O-CB 3.35Å; L139-I142 PolarHBondContact O-N 3.19Å; L139-P143 WeakPolarHBondContact O-CD 3.25Å
140I91.2Very high92.3Very high6 Ų650.8 Ų50.83%0.03125%0.248CC..G310 helixtrans-63.1-16.7176.9-154.265.3000113.2V39 L81 T127 I130 L137 W138 I142 P143V39-I140 HydrophobicContact CG2-CG1 4.18Å; V39-I140 HydrophobicContact CG2-CG2 4.26Å; L81-I140 HydrophobicContact CD1-CG2 4.01Å; L81-I140 HydrophobicContact CD2-CG2 3.67Å; L81-I140 HydrophobicContact CG-CG2 3.75Å; T127-I140 HydrophobicContact CG2-CD1 4.08Å; I130-I140 HydrophobicContact CD1-CD1 4.3Å; L137-I140 WeakPolarHBondContact O-CB 3.38Å; L137-I140 VanDerWaalsContact O-CG2 3.28Å; L137-I140 WeakPolarHBondContact O-CG2 3.5Å; L137-I140 PolarHBondContact O-N 2.59Å; L137-I140 VanDerWaalsContact O-N 3.08Å; W138-I140 PolarHBondContact O-N 3.27Å; I140-I142 VanDerWaalsContact C-N 3.31Å; I140-P143 WeakPolarHBondContact O-CD 3.31Å
141L92.7Very high91.8Very high38 Ų3850.7 Ų50.720%0.19925%0.248CC..Hα-helixtrans-68.3-28.8171.3-75.9125.8000112.6L81 A84 V88 W138 L139 L145L81-L141 HydrophobicContact CD1-CD1 3.68Å; L81-L141 HydrophobicContact CD1-CG 4.44Å; A84-L141 HydrophobicContact CB-CD2 4.19Å; V88-L141 HydrophobicContact CG2-CD2 3.89Å; W138-L141 HydrophobicContact CE3-CD1 3.69Å; W138-L141 HydrophobicContact CZ3-CD1 4.31Å; W138-L141 VanDerWaalsContact O-CD1 3.22Å; W138-L141 WeakPolarHBondContact O-CD1 3.06Å; W138-L141 PolarHBondContact O-N 3.23Å; L139-L141 PolarHBondContact O-N 3.38Å; L139-L141 VanDerWaalsContact O-N 3.12Å; L141-L145 VanDerWaalsContact O-CB 3.26Å; L141-L145 WeakPolarHBondContact O-CB 3.34Å; L141-L145 PolarHBondContact O-N 3.39Å
142I94.5Very high91.2Very high73 Ų7350.4 Ų50.437%0.37425%0.246SC..Hα-helixtrans-66.6-49.9-177-61.4172.9000111.8I126 L139 I140 G144 L145 L146I126-I142 HydrophobicContact CG2-CG2 4.44Å; L139-I142 HydrophobicContact CB-CD1 4.41Å; L139-I142 HydrophobicContact CD2-CD1 3.62Å; L139-I142 WeakPolarHBondContact O-CB 3.35Å; L139-I142 PolarHBondContact O-N 3.19Å; I140-I142 VanDerWaalsContact C-N 3.31Å; I142-G144 PolarHBondContact O-N 2.69Å; I142-L145 WeakPolarHBondContact O-CB 3.47Å; I142-L145 PolarHBondContact O-N 3.27Å; I142-L146 HydrophobicContact CG2-CD1 3.9Å; I142-L146 HydrophobicContact CG2-CG 4.44Å; I142-L146 WeakPolarHBondContact O-CG 3.25Å; I142-L146 PolarHBondContact O-N 3.47Å
143P94.1Very high91Very high1 Ų148 Ų481%0.00623%0.234CC..Hα-helixtrans-51.8-49.3174-26.530.2000113.9I126 T127 I130 L139 I140 L145 L146 E147I126-P143 HydrophobicContact CB-CG 4Å; I126-P143 HydrophobicContact CG2-CG 3.73Å; T127-P143 WeakPolarHBondContact OG1-CB 3.26Å; I130-P143 HydrophobicContact CD1-CG 3.79Å; L139-P143 WeakPolarHBondContact O-CD 3.25Å; I140-P143 WeakPolarHBondContact O-CD 3.31Å; P143-L145 PolarHBondContact O-N 2.91Å; P143-L146 PolarHBondContact O-N 3.5Å; P143-E147 PolarHBondContact O-N 3.27Å
144G92Very high90.7Very high2 Ų243.6 Ų43.62%0.02121%0.211CC..Hα-helixtrans-68.2-33-179.900000113.3I142 A148I142-G144 PolarHBondContact O-N 2.69Å; G144-A148 VanDerWaalsContact O-CB 3.29Å; G144-A148 WeakPolarHBondContact O-CB 3.49Å; G144-A148 PolarHBondContact O-N 3.42Å; G144-A148 VanDerWaalsContact O-N 3.08Å
145L93.5Very high90.6Very high60 Ų6038.4 Ų38.431%0.31419%0.19SC..Hα-helixtrans-63.3-44.8171.8174.462.4000111.4V88 I92 L141 I142 P143 A148 I149V88-L145 HydrophobicContact CG1-CB 4.11Å; V88-L145 HydrophobicContact CG1-CD1 3.97Å; I92-L145 HydrophobicContact CD1-CD1 3.17Å; L141-L145 VanDerWaalsContact O-CB 3.26Å; L141-L145 WeakPolarHBondContact O-CB 3.34Å; L141-L145 PolarHBondContact O-N 3.39Å; I142-L145 WeakPolarHBondContact O-CB 3.47Å; I142-L145 PolarHBondContact O-N 3.27Å; P143-L145 PolarHBondContact O-N 2.91Å; L145-A148 WeakPolarHBondContact O-CB 3.33Å; L145-A148 PolarHBondContact O-N 3.18Å; L145-I149 HydrophobicContact CD1-CD1 3.93Å; L145-I149 HydrophobicContact CD1-CG1 4.27Å; L145-I149 HydrophobicContact CG-CD1 3.89Å; L145-I149 VanDerWaalsContact O-CG1 3.3Å; L145-I149 WeakPolarHBondContact O-CG1 3.48Å; L145-I149 PolarHBondContact O-N 3.14Å
146L93.8Very high90.7Very high39 Ų3935.3 Ų35.320%0.20417%0.174CC..Hα-helixtrans-68.3-45.1179.8-70168.9000111.6L122 I126 I142 P143 A148 I149 F150L122-L146 HydrophobicContact CB-CB 4.42Å; L122-L146 HydrophobicContact CB-CD1 4.49Å; I126-L146 HydrophobicContact CD1-CD1 3.14Å; I142-L146 HydrophobicContact CG2-CD1 3.9Å; I142-L146 HydrophobicContact CG2-CG 4.44Å; I142-L146 WeakPolarHBondContact O-CG 3.25Å; I142-L146 PolarHBondContact O-N 3.47Å; P143-L146 PolarHBondContact O-N 3.5Å; L146-A148 PolarHBondContact O-N 3.15Å; L146-I149 PolarHBondContact O-N 3.34Å; L146-I149 VanDerWaalsContact O-N 3.15Å; L146-F150 HydrophobicContact CD2-CE2 4.48Å; L146-F150 VanDerWaalsContact O-CD2 3.29Å; L146-F150 WeakPolarHBondContact O-CD2 3.03Å; L146-F150 PolarHBondContact O-N 2.86Å
147E94.2Very high90.8Very high4 Ų430.6 Ų30.62%0.01915%0.149CC..Hα-helixtrans-51.1-44171.2-172-157.3131.100111.3R89 H123 P143 G152 G153R89-E147 VanDerWaalsContact CD-OE2 3.24Å; R89-E147 WeakPolarHBondContact CD-OE2 3.1Å; R89-E147 IonicContact NH1-OE1 2.83Å; H123-E147 HydrophobicContact CB-CB 4.05Å; H123-E147 HydrophobicContact CB-CG 4.49Å; H123-E147 IonicContact CD2-OE2 3.18Å; H123-E147 IonicContact CE1-OE2 3.74Å; H123-E147 PolarHBondContact CE1-OE2 2.94Å; H123-E147 VanDerWaalsContact CE1-OE2 3.22Å; H123-E147 IonicContact CG-OE2 3.21Å; H123-E147 IonicContact ND1-OE2 2.94Å; H123-E147 PolarHBondContact ND1-OE2 3.21Å; H123-E147 IonicContact NE2-OE2 2.65Å; P143-E147 PolarHBondContact O-N 3.27Å; E147-G152 PolarHBondContact O-N 2.93Å; E147-G153 WeakPolarHBondContact OE1-CA 3.32Å
148A93Very high91Very high0 Ų031.5 Ų31.50%015%0.152CC..Hα-helixtrans-67.6-44.7179.700000112.4R89 I92 T96 G144 L145 L146 F150 G151 G152R89-A148 WeakPolarHBondContact O-CB 3.4Å; I92-A148 HydrophobicContact CB-CB 3.73Å; I92-A148 HydrophobicContact CG2-CB 3.7Å; T96-A148 VanDerWaalsContact CB-O 3.32Å; T96-A148 WeakPolarHBondContact CB-O 3.38Å; T96-A148 WeakPolarHBondContact CG2-O 3.41Å; T96-A148 PolarHBondContact OG1-O 3.44Å; G144-A148 VanDerWaalsContact O-CB 3.29Å; G144-A148 WeakPolarHBondContact O-CB 3.49Å; G144-A148 PolarHBondContact O-N 3.42Å; G144-A148 VanDerWaalsContact O-N 3.08Å; L145-A148 WeakPolarHBondContact O-CB 3.33Å; L145-A148 PolarHBondContact O-N 3.18Å; L146-A148 PolarHBondContact O-N 3.15Å; A148-F150 VanDerWaalsContact C-N 3.3Å; A148-F150 PolarHBondContact O-N 3.28Å; A148-G151 PolarHBondContact O-N 3.11Å; A148-G152 PolarHBondContact O-N 3.46Å
149I93.6Very high91.2Very high88 Ų8825.4 Ų25.445%0.45113%0.129SC..Hα-helixtrans-60.1-40.5177.6-71.2166.3000111.2I92 T96 L145 L146 G151I92-I149 HydrophobicContact CG2-CG1 4.19Å; T96-I149 WeakPolarHBondContact CG2-O 3.47Å; L145-I149 HydrophobicContact CD1-CD1 3.93Å; L145-I149 HydrophobicContact CD1-CG1 4.27Å; L145-I149 HydrophobicContact CG-CD1 3.89Å; L145-I149 VanDerWaalsContact O-CG1 3.3Å; L145-I149 WeakPolarHBondContact O-CG1 3.48Å; L145-I149 PolarHBondContact O-N 3.14Å; L146-I149 PolarHBondContact O-N 3.34Å; L146-I149 VanDerWaalsContact O-N 3.15Å; I149-G151 PolarHBondContact O-N 2.93Å
150F92.5Very high91.2Very high64 Ų6422.5 Ų22.528%0.28111%0.114SC..THydrogen-bonded Turntrans-81.811.6-177.3-79.6-84.4000114.6I115 L116 I118 G119 L122 L146 A148I115-F150 HydrophobicContact CG2-CD1 4.08Å; I115-F150 WeakPolarHBondContact CG2-O 3.32Å; L116-F150 WeakPolarHBondContact CD2-O 3.48Å; I118-F150 HydrophobicContact CG2-CD1 4.17Å; I118-F150 HydrophobicContact CG2-CE1 3.93Å; I118-F150 HydrophobicContact CG2-CZ 4.3Å; G119-F150 VanDerWaalsContact CA-CB 3.42Å; L122-F150 HydrophobicContact CD1-CD2 3.99Å; L122-F150 HydrophobicContact CD1-CE2 3.5Å; L122-F150 VanDerWaalsContact CD1-CE2 3.5Å; L122-F150 HydrophobicContact CD1-CZ 4Å; L146-F150 HydrophobicContact CD2-CE2 4.48Å; L146-F150 VanDerWaalsContact O-CD2 3.29Å; L146-F150 WeakPolarHBondContact O-CD2 3.03Å; L146-F150 PolarHBondContact O-N 2.86Å; A148-F150 VanDerWaalsContact C-N 3.3Å; A148-F150 PolarHBondContact O-N 3.28Å
151G83.1Confident91.4Very high0 Ų022.4 Ų22.40%011%0.114CC..THydrogen-bonded Turntrans125.114.6168.200000116T96 A148 I149 S156T96-G151 WeakPolarHBondContact OG1-CA 3.35Å; A148-G151 PolarHBondContact O-N 3.11Å; I149-G151 PolarHBondContact O-N 2.93Å; G151-S156 WeakPolarHBondContact O-CB 3.29Å; G151-S156 PolarHBondContact O-OG 3.45Å
152G80.4Confident91.5Very high0 Ų020.7 Ų20.70%011%0.105CC..  trans82.317.5172.200000114.5T96 E147 A148 R471T96-G152 PolarHBondContact OG1-N 3.27Å; E147-G152 PolarHBondContact O-N 2.93Å; A148-G152 PolarHBondContact O-N 3.46Å; G152-R471 PolarHBondContact O-NH1 3.44Å; G152-R471 PolarHBondContact O-NH2 3.44Å
153G87.9Confident91.4Very high2 Ų217.2 Ų17.22%0.0219%0.087CC..THydrogen-bonded Turntrans61-139.3169.600000115.9E120 E147 L155 S156 L157E120-G153 WeakPolarHBondContact OE1-CA 3.37Å; E147-G153 WeakPolarHBondContact OE1-CA 3.32Å; G153-L155 PolarHBondContact O-N 3.34Å; G153-S156 WeakPolarHBondContact O-CB 3.38Å; G153-S156 PolarHBondContact O-N 3.01Å; G153-L157 PolarHBondContact O-N 3.25Å; G153-L157 VanDerWaalsContact O-N 3.07Å
154L87.9Confident91.4Very high19 Ų1917.2 Ų17.210%0.0999%0.087CC..Hα-helixtrans-54.1-41.8-164.5-161.670.7000114.8Y25 V28 E29 E120 S156 L157 F158Y25-L154 HydrophobicContact CD1-CD1 3.35Å; Y25-L154 HydrophobicContact CE1-CD1 3.65Å; Y25-L154 HydrophobicContact CG-CD1 3.91Å; V28-L154 HydrophobicContact CB-CD1 4.28Å; V28-L154 HydrophobicContact CG1-CD1 4.24Å; E29-L154 WeakPolarHBondContact OE1-CD2 3.4Å; E120-L154 PolarHBondContact OE1-N 3.19Å; L154-S156 VanDerWaalsContact C-N 3.3Å; L154-S156 PolarHBondContact O-N 2.98Å; L154-L157 HydrophobicContact CD1-CD1 4.47Å; L154-L157 WeakPolarHBondContact O-CB 3.4Å; L154-L157 PolarHBondContact O-N 2.94Å; L154-F158 HydrophobicContact CD2-CE2 3.9Å; L154-F158 HydrophobicContact CG-CD2 4.14Å; L154-F158 HydrophobicContact CG-CE2 3.71Å; L154-F158 WeakPolarHBondContact O-CD2 3.29Å; L154-F158 PolarHBondContact O-N 3.23Å
155L88.1Confident91.4Very high45 Ų4517.3 Ų17.324%0.2369%0.087CC..Hα-helixtrans-63.3-35.9178.6-96.476.2000112.9G153 F158 A159 R471 L474G153-L155 PolarHBondContact O-N 3.34Å; L155-F158 WeakPolarHBondContact O-CB 3.17Å; L155-F158 PolarHBondContact O-N 3.01Å; L155-A159 PolarHBondContact O-N 3.35Å; L155-R471 HydrophobicContact CD2-CB 3.79Å; L155-R471 HydrophobicContact CD2-CG 4.2Å; L155-L474 HydrophobicContact CD1-CD1 4.4Å; L155-L474 HydrophobicContact CD2-CD1 3.91Å
156S91.4Very high91.3Very high0 Ų014.5 Ų14.50%07%0.072CC..Hα-helixtrans-74.9-35.9177.1-169.30000110.9L116 G151 G153 L154 F158 A159 Q160L116-S156 WeakPolarHBondContact CD2-OG 3.37Å; G151-S156 WeakPolarHBondContact O-CB 3.29Å; G151-S156 PolarHBondContact O-OG 3.45Å; G153-S156 WeakPolarHBondContact O-CB 3.38Å; G153-S156 PolarHBondContact O-N 3.01Å; L154-S156 VanDerWaalsContact C-N 3.3Å; L154-S156 PolarHBondContact O-N 2.98Å; S156-F158 VanDerWaalsContact C-N 3.31Å; S156-F158 PolarHBondContact O-N 3.04Å; S156-A159 WeakPolarHBondContact O-CB 3.19Å; S156-A159 PolarHBondContact O-N 3.02Å; S156-A159 VanDerWaalsContact O-N 3.12Å; S156-Q160 WeakPolarHBondContact O-CG 3.48Å; S156-Q160 PolarHBondContact O-N 3.01Å
157L92.7Very high91.1Very high0 Ų013.2 Ų13.20%07%0.066CC..Hα-helixtrans-57.6-44.9169.2-75.6165.3000111.3L24 Y25 F113 L116 E120 G153 L154 A159 Q160 V161L24-L157 HydrophobicContact CD2-CD1 3.58Å; L24-L157 HydrophobicContact CD2-CD2 3.79Å; L24-L157 HydrophobicContact CD2-CG 4.27Å; L24-L157 HydrophobicContact CG-CD1 4.11Å; Y25-L157 HydrophobicContact CE1-CB 4.11Å; F113-L157 HydrophobicContact CD2-CD2 4.21Å; F113-L157 HydrophobicContact CE1-CD2 4.34Å; F113-L157 HydrophobicContact CE2-CD2 3.81Å; F113-L157 HydrophobicContact CZ-CD2 3.89Å; L116-L157 HydrophobicContact CB-CD2 3.52Å; L116-L157 HydrophobicContact CB-CG 3.94Å; L116-L157 HydrophobicContact CD1-CD2 3.9Å; L116-L157 HydrophobicContact CD1-CG 4.11Å; L116-L157 HydrophobicContact CG-CD2 4.36Å; E120-L157 HydrophobicContact CG-CD1 3.66Å; G153-L157 PolarHBondContact O-N 3.25Å; G153-L157 VanDerWaalsContact O-N 3.07Å; L154-L157 HydrophobicContact CD1-CD1 4.47Å; L154-L157 WeakPolarHBondContact O-CB 3.4Å; L154-L157 PolarHBondContact O-N 2.94Å; L157-A159 VanDerWaalsContact C-N 3.31Å; L157-A159 PolarHBondContact O-N 3.09Å; L157-Q160 PolarHBondContact O-N 3.23Å; L157-Q160 VanDerWaalsContact O-N 3.16Å; L157-V161 WeakPolarHBondContact O-CB 3.29Å; L157-V161 VanDerWaalsContact O-CG2 3.29Å; L157-V161 WeakPolarHBondContact O-CG2 3.25Å; L157-V161 PolarHBondContact O-N 3.36Å
158F92.1Very high90.9Very high30 Ų3013.5 Ų13.513%0.1327%0.068CC..Hα-helixtrans-55.7-44173.2-82.5-70.8000113.1Y25 L154 L155 S156 A162 A203Y25-F158 HydrophobicContact CD2-CE1 4.03Å; Y25-F158 AromaticContact CD2-CZ 3.8Å; Y25-F158 HydrophobicContact CD2-CZ 3.8Å; Y25-F158 AromaticContact CE2-CD1 3.69Å; Y25-F158 HydrophobicContact CE2-CD1 3.69Å; Y25-F158 AromaticContact CE2-CE1 3.14Å; Y25-F158 HydrophobicContact CE2-CE1 3.14Å; Y25-F158 HydrophobicContact CE2-CE2 4.02Å; Y25-F158 HydrophobicContact CE2-CG 4.34Å; Y25-F158 AromaticContact CE2-CZ 3.29Å; Y25-F158 HydrophobicContact CE2-CZ 3.29Å; Y25-F158 AromaticContact CZ-CD1 3.81Å; Y25-F158 AromaticContact CZ-CE1 3.73Å; Y25-F158 AromaticContact CZ-CZ 3.88Å; Y25-F158 WeakPolarHBondContact OH-CA 3.32Å; Y25-F158 WeakPolarHBondContact OH-CD1 3.43Å; Y25-F158 WeakPolarHBondContact OH-CG 3.34Å; Y25-F158 PolarHBondContact OH-N 3.46Å; L154-F158 HydrophobicContact CD2-CE2 3.9Å; L154-F158 HydrophobicContact CG-CD2 4.14Å; L154-F158 HydrophobicContact CG-CE2 3.71Å; L154-F158 WeakPolarHBondContact O-CD2 3.29Å; L154-F158 PolarHBondContact O-N 3.23Å; L155-F158 WeakPolarHBondContact O-CB 3.17Å; L155-F158 PolarHBondContact O-N 3.01Å; S156-F158 VanDerWaalsContact C-N 3.31Å; S156-F158 PolarHBondContact O-N 3.04Å; F158-A162 VanDerWaalsContact O-CB 3.23Å; F158-A162 WeakPolarHBondContact O-CB 3.46Å; F158-A162 PolarHBondContact O-N 2.85Å; F158-A203 HydrophobicContact CE1-CB 3.33Å; F158-A203 HydrophobicContact CZ-CB 3.43Å; F158-A203 VanDerWaalsContact CZ-CB 3.43Å
159A93.6Very high90.6Very high2 Ų213.5 Ų13.52%0.0177%0.068CC..Hα-helixtrans-63.1-41.7177.100000112.2L155 S156 L157 A162 T163 Q463 A467L155-A159 PolarHBondContact O-N 3.35Å; S156-A159 WeakPolarHBondContact O-CB 3.19Å; S156-A159 PolarHBondContact O-N 3.02Å; S156-A159 VanDerWaalsContact O-N 3.12Å; L157-A159 VanDerWaalsContact C-N 3.31Å; L157-A159 PolarHBondContact O-N 3.09Å; A159-A162 WeakPolarHBondContact O-CB 3.27Å; A159-A162 PolarHBondContact O-N 3.04Å; A159-T163 WeakPolarHBondContact O-CB 3.25Å; A159-T163 PolarHBondContact O-N 3.36Å; A159-T163 PolarHBondContact O-OG1 3.45Å; A159-Q463 HydrophobicContact CB-CB 4Å; A159-Q463 WeakPolarHBondContact CB-O 3.26Å; A159-A467 HydrophobicContact CB-CB 3.94Å
160Q93.8Very high90.1Very high0 Ų011.4 Ų11.40%06%0.056CC..Hα-helixtrans-72.1-40.4179.4-61.5-46.8-48.800112.3V100 S104 F113 L116 S156 L157 A162 T163 I164 S464V100-Q160 HydrophobicContact CG1-CG 4.34Å; S104-Q160 PolarHBondContact OG-OE1 3.21Å; F113-Q160 HydrophobicContact CD2-CB 4.15Å; L116-Q160 HydrophobicContact CD1-CB 4.25Å; L116-Q160 HydrophobicContact CD1-CG 3.49Å; L116-Q160 VanDerWaalsContact CD1-CG 3.49Å; S156-Q160 WeakPolarHBondContact O-CG 3.48Å; S156-Q160 PolarHBondContact O-N 3.01Å; L157-Q160 PolarHBondContact O-N 3.23Å; L157-Q160 VanDerWaalsContact O-N 3.16Å; Q160-A162 VanDerWaalsContact C-N 3.3Å; Q160-A162 PolarHBondContact O-N 3.39Å; Q160-T163 WeakPolarHBondContact O-CB 3.17Å; Q160-T163 PolarHBondContact O-N 2.78Å; Q160-I164 VanDerWaalsContact O-CG1 3.32Å; Q160-I164 WeakPolarHBondContact O-CG1 3.36Å; Q160-I164 PolarHBondContact O-N 2.69Å; Q160-S464 PolarHBondContact NE2-OG 3.16Å
161V94.5Very high89.4Confident4 Ų411.9 Ų11.92%0.0246%0.061CC..Hα-helixtrans-57.7-46.2171.3170.70000110L17 F113 L157 T163 I164 Q165 F199L17-V161 HydrophobicContact CD1-CG1 4.36Å; L17-V161 HydrophobicContact CD1-CG2 4.21Å; L17-V161 HydrophobicContact CD2-CG1 4.04Å; L17-V161 HydrophobicContact CG-CG1 4.19Å; F113-V161 HydrophobicContact CE2-CG2 3.72Å; L157-V161 WeakPolarHBondContact O-CB 3.29Å; L157-V161 VanDerWaalsContact O-CG2 3.29Å; L157-V161 WeakPolarHBondContact O-CG2 3.25Å; L157-V161 PolarHBondContact O-N 3.36Å; V161-T163 VanDerWaalsContact C-N 3.34Å; V161-T163 PolarHBondContact O-N 3.31Å; V161-I164 PolarHBondContact O-N 3.06Å; V161-Q165 VanDerWaalsContact CG1-NE2 3.32Å; V161-Q165 VanDerWaalsContact O-CG 3.28Å; V161-Q165 WeakPolarHBondContact O-CG 3.4Å; V161-Q165 PolarHBondContact O-N 2.84Å; V161-F199 HydrophobicContact CG1-CD1 3.7Å; V161-F199 HydrophobicContact CG1-CE1 4.03Å; V161-F199 HydrophobicContact CG1-CG 4.44Å
162A94.3Very high88.9Confident1 Ų114 Ų141%0.0088%0.076CC..Hα-helixtrans-59.6-45176.100000111.7F158 A159 Q160 I164 Q165 V166 F196 Q463F158-A162 VanDerWaalsContact O-CB 3.23Å; F158-A162 WeakPolarHBondContact O-CB 3.46Å; F158-A162 PolarHBondContact O-N 2.85Å; A159-A162 WeakPolarHBondContact O-CB 3.27Å; A159-A162 PolarHBondContact O-N 3.04Å; Q160-A162 VanDerWaalsContact C-N 3.3Å; Q160-A162 PolarHBondContact O-N 3.39Å; A162-I164 PolarHBondContact O-N 3.07Å; A162-Q165 WeakPolarHBondContact O-CB 3.22Å; A162-Q165 PolarHBondContact O-N 2.93Å; A162-Q165 VanDerWaalsContact O-N 3.17Å; A162-V166 VanDerWaalsContact O-CG2 3.32Å; A162-V166 WeakPolarHBondContact O-CG2 3.42Å; A162-V166 PolarHBondContact O-N 3.38Å; A162-F196 HydrophobicContact CB-CD1 4.41Å; A162-F196 HydrophobicContact CB-CE1 3.62Å; A162-F196 HydrophobicContact CB-CZ 4.44Å; A162-Q463 HydrophobicContact CB-CG 4.38Å
163T93.7Very high88.5Confident0 Ų017 Ų170%09%0.089CC..Hα-helixtrans-59.6-44.8177.6-55.80000111.9R109 A159 Q160 V161 Q165 V166 D167 Q459 Q463R109-T163 VanDerWaalsContact NE-CG2 3.25Å; A159-T163 WeakPolarHBondContact O-CB 3.25Å; A159-T163 PolarHBondContact O-N 3.36Å; A159-T163 PolarHBondContact O-OG1 3.45Å; Q160-T163 WeakPolarHBondContact O-CB 3.17Å; Q160-T163 PolarHBondContact O-N 2.78Å; V161-T163 VanDerWaalsContact C-N 3.34Å; V161-T163 PolarHBondContact O-N 3.31Å; T163-Q165 VanDerWaalsContact C-N 3.31Å; T163-Q165 PolarHBondContact O-N 3.13Å; T163-V166 PolarHBondContact O-N 3.37Å; T163-D167 PolarHBondContact O-N 2.84Å; T163-Q459 HydrophobicContact CG2-CB 4.08Å; T163-Q463 WeakPolarHBondContact OG1-CB 3.46Å
164I93.5Very high87.4Confident1 Ų121.9 Ų21.91%0.00511%0.113CC..Hα-helixtrans-62-39.6177.1-66.8163.3000110.8V13 L17 R109 F113 Q160 V161 A162 V166 D167 V168 L244 T247V13-I164 HydrophobicContact CG1-CG2 4.22Å; L17-I164 HydrophobicContact CD1-CD1 4.15Å; L17-I164 HydrophobicContact CD1-CG2 4.43Å; L17-I164 HydrophobicContact CD2-CB 4.31Å; L17-I164 HydrophobicContact CD2-CG2 3.94Å; R109-I164 HydrophobicContact CB-CD1 4.32Å; R109-I164 HydrophobicContact CB-CG1 3.8Å; R109-I164 HydrophobicContact CG-CG1 4.16Å; F113-I164 HydrophobicContact CD2-CD1 4.25Å; Q160-I164 VanDerWaalsContact O-CG1 3.32Å; Q160-I164 WeakPolarHBondContact O-CG1 3.36Å; Q160-I164 PolarHBondContact O-N 2.69Å; V161-I164 PolarHBondContact O-N 3.06Å; A162-I164 PolarHBondContact O-N 3.07Å; I164-V166 VanDerWaalsContact C-N 3.34Å; I164-V166 PolarHBondContact O-N 3.08Å; I164-D167 PolarHBondContact O-N 3.48Å; I164-V168 HydrophobicContact CG2-CG2 4.41Å; I164-V168 WeakPolarHBondContact O-CB 3.26Å; I164-V168 VanDerWaalsContact O-CG2 3.25Å; I164-V168 WeakPolarHBondContact O-CG2 3.41Å; I164-V168 PolarHBondContact O-N 3.23Å; I164-L244 HydrophobicContact CD1-CD2 4.27Å; I164-T247 HydrophobicContact CG2-CG2 4.19Å
165Q92.4Very high86.2Confident5 Ų523.5 Ų23.52%0.02312%0.12CC..Hα-helixtrans-62.4-42.2176.6-67.7164.310.700111.9L17 V161 A162 T163 V168 C169 F196 F199L17-Q165 HydrophobicContact CD2-CG 3.97Å; V161-Q165 VanDerWaalsContact CG1-NE2 3.32Å; V161-Q165 VanDerWaalsContact O-CG 3.28Å; V161-Q165 WeakPolarHBondContact O-CG 3.4Å; V161-Q165 PolarHBondContact O-N 2.84Å; A162-Q165 WeakPolarHBondContact O-CB 3.22Å; A162-Q165 PolarHBondContact O-N 2.93Å; A162-Q165 VanDerWaalsContact O-N 3.17Å; T163-Q165 VanDerWaalsContact C-N 3.31Å; T163-Q165 PolarHBondContact O-N 3.13Å; Q165-V168 PolarHBondContact O-N 3.35Å; Q165-C169 WeakPolarHBondContact O-CB 3.5Å; Q165-C169 PolarHBondContact O-N 2.78Å; Q165-C169 PolarHBondContact O-SG 3.21Å; Q165-C169 VanDerWaalsContact O-SG 3.37Å; Q165-F196 HydrophobicContact CB-CE1 4.44Å; Q165-F196 VanDerWaalsContact OE1-CE1 3.23Å; Q165-F199 HydrophobicContact CG-CE2 4.49Å; Q165-F199 VanDerWaalsContact NE2-CD1 3.31Å
166V91.8Very high84.8Confident0 Ų023.3 Ų23.30%012%0.122CC..Hα-helixtrans-62.3-49.4176.61780000110.2A162 T163 I164 V168 C169 H170 M192 F196 S451 Q459A162-V166 VanDerWaalsContact O-CG2 3.32Å; A162-V166 WeakPolarHBondContact O-CG2 3.42Å; A162-V166 PolarHBondContact O-N 3.38Å; T163-V166 PolarHBondContact O-N 3.37Å; I164-V166 VanDerWaalsContact C-N 3.34Å; I164-V166 PolarHBondContact O-N 3.08Å; V166-V168 VanDerWaalsContact C-N 3.32Å; V166-V168 PolarHBondContact O-N 2.96Å; V166-C169 WeakPolarHBondContact O-CB 3.17Å; V166-C169 PolarHBondContact O-N 2.71Å; V166-C169 VanDerWaalsContact O-N 3.1Å; V166-H170 VanDerWaalsContact CG1-CD2 3.4Å; V166-H170 WeakPolarHBondContact CG1-CD2 3.38Å; V166-H170 PolarHBondContact O-CD2 3.04Å; V166-H170 VanDerWaalsContact O-CD2 3.23Å; V166-H170 PolarHBondContact O-N 3.3Å; V166-M192 HydrophobicContact CB-SD 4.36Å; V166-M192 HydrophobicContact CG1-SD 4.21Å; V166-M192 HydrophobicContact CG2-CG 4.47Å; V166-M192 HydrophobicContact CG2-SD 3.78Å; V166-F196 HydrophobicContact CG2-CE1 4.39Å; V166-F196 HydrophobicContact CG2-CE2 4.36Å; V166-F196 HydrophobicContact CG2-CZ 3.57Å; V166-S451 WeakPolarHBondContact CG2-OG 3.32Å; V166-Q459 HydrophobicContact CG1-CG 3.77Å
167D89.8Confident83.2Confident12 Ų1228.6 Ų28.66%0.06415%0.145CC..Hα-helixtrans-56.7-45.1178.3-73.5-14.5000111.8R109 T163 I164 C169 H170 L171 T247R109-D167 VanDerWaalsContact CG-OD2 3.31Å; R109-D167 WeakPolarHBondContact CG-OD2 3.36Å; R109-D167 IonicContact CZ-OD2 3.7Å; R109-D167 IonicContact NE-OD2 2.85Å; R109-D167 PolarHBondContact NE-OD2 3.38Å; T163-D167 PolarHBondContact O-N 2.84Å; I164-D167 PolarHBondContact O-N 3.48Å; D167-C169 VanDerWaalsContact C-N 3.34Å; D167-C169 PolarHBondContact O-N 2.98Å; D167-H170 PolarHBondContact O-N 3.44Å; D167-L171 WeakPolarHBondContact O-CB 3.35Å; D167-L171 PolarHBondContact O-N 3.38Å; D167-T247 PolarHBondContact OD2-OG1 3.49Å; D167-T247 VanDerWaalsContact OD2-OG1 3.08Å
168V88.9Confident81.5Confident11 Ų1136.2 Ų36.27%0.06718%0.18CC..Hα-helixtrans-63.6-38.5178.1170.50000111.7K10 V13 I14 I164 Q165 V166 S172 T247K10-V168 HydrophobicContact CB-CG1 4.33Å; K10-V168 HydrophobicContact CD-CG1 4.14Å; K10-V168 HydrophobicContact CG-CG1 3.66Å; V13-V168 HydrophobicContact CB-CG2 4.31Å; V13-V168 HydrophobicContact CG1-CG2 3.68Å; I14-V168 HydrophobicContact CD1-CG1 4.23Å; I14-V168 HydrophobicContact CG1-CG1 4.28Å; I164-V168 HydrophobicContact CG2-CG2 4.41Å; I164-V168 WeakPolarHBondContact O-CB 3.26Å; I164-V168 VanDerWaalsContact O-CG2 3.25Å; I164-V168 WeakPolarHBondContact O-CG2 3.41Å; I164-V168 PolarHBondContact O-N 3.23Å; Q165-V168 PolarHBondContact O-N 3.35Å; V166-V168 VanDerWaalsContact C-N 3.32Å; V166-V168 PolarHBondContact O-N 2.96Å; V168-S172 WeakPolarHBondContact O-CB 3.35Å; V168-S172 PolarHBondContact O-N 3.06Å; V168-T247 HydrophobicContact CG2-CG2 4.16Å
169C87.1Confident79.5Confident0 Ų039.8 Ų39.80%020%0.196CC..Hα-helixtrans-67.7-43.2175.8-770000112.3Q165 V166 D167 S172 K173 S188 M192Q165-C169 WeakPolarHBondContact O-CB 3.5Å; Q165-C169 PolarHBondContact O-N 2.78Å; Q165-C169 PolarHBondContact O-SG 3.21Å; Q165-C169 VanDerWaalsContact O-SG 3.37Å; V166-C169 WeakPolarHBondContact O-CB 3.17Å; V166-C169 PolarHBondContact O-N 2.71Å; V166-C169 VanDerWaalsContact O-N 3.1Å; D167-C169 VanDerWaalsContact C-N 3.34Å; D167-C169 PolarHBondContact O-N 2.98Å; C169-S172 WeakPolarHBondContact O-CB 3.18Å; C169-S172 PolarHBondContact O-N 2.96Å; C169-K173 PolarHBondContact O-N 2.94Å; C169-K173 VanDerWaalsContact O-N 3.16Å; C169-S188 PolarHBondContact O-OG 3.37Å; C169-M192 HydrophobicContact CB-CB 4.21Å
170H82.7Confident77.1Confident44 Ų4442.6 Ų42.620%0.20421%0.213CC..Hα-helixtrans-67.9-40.9177.6-80-77.7000112.5V166 D167 S172 K173 M174 S456V166-H170 VanDerWaalsContact CG1-CD2 3.4Å; V166-H170 WeakPolarHBondContact CG1-CD2 3.38Å; V166-H170 PolarHBondContact O-CD2 3.04Å; V166-H170 VanDerWaalsContact O-CD2 3.23Å; V166-H170 PolarHBondContact O-N 3.3Å; D167-H170 PolarHBondContact O-N 3.44Å; H170-S172 PolarHBondContact O-N 3.17Å; H170-K173 WeakPolarHBondContact O-CB 3.49Å; H170-K173 PolarHBondContact O-N 3.4Å; H170-M174 PolarHBondContact O-N 2.86Å; H170-S456 PolarHBondContact CD2-OG 3.42Å; H170-S456 PolarHBondContact CE1-OG 2.74Å; H170-S456 VanDerWaalsContact CE1-OG 3.3Å; H170-S456 VanDerWaalsContact CG-OG 3.28Å; H170-S456 PolarHBondContact ND1-OG 3.34Å; H170-S456 PolarHBondContact NE2-OG 3.36Å
171L77.8Confident74.6Confident73 Ų7350.2 Ų50.238%0.38225%0.254SS..Hα-helixtrans-59.5-38.8175.5-172.265.1000111.2D167 K173 H175D167-L171 WeakPolarHBondContact O-CB 3.35Å; D167-L171 PolarHBondContact O-N 3.38Å; L171-K173 VanDerWaalsContact C-N 3.32Å; L171-K173 PolarHBondContact O-N 3.17Å; L171-H175 PolarHBondContact O-N 2.87Å
172S73.7Confident72.2Confident46 Ų4653.2 Ų53.232%0.32229%0.285SS..Hα-helixtrans-64.5-33.7174.1-167.50000112.9V168 C169 H170 S176V168-S172 WeakPolarHBondContact O-CB 3.35Å; V168-S172 PolarHBondContact O-N 3.06Å; C169-S172 WeakPolarHBondContact O-CB 3.18Å; C169-S172 PolarHBondContact O-N 2.96Å; H170-S172 PolarHBondContact O-N 3.17Å; S172-S176 PolarHBondContact O-N 2.92Å
173K70.6Confident69.5Low62 Ų6262.5 Ų62.527%0.2733%0.326SS..Hα-helixtrans-72.4-45.2179.4-167.2179.7-171.7165.50111.6C169 H170 L171 S176 K177 D189C169-K173 PolarHBondContact O-N 2.94Å; C169-K173 VanDerWaalsContact O-N 3.16Å; H170-K173 WeakPolarHBondContact O-CB 3.49Å; H170-K173 PolarHBondContact O-N 3.4Å; L171-K173 VanDerWaalsContact C-N 3.32Å; L171-K173 PolarHBondContact O-N 3.17Å; K173-S176 PolarHBondContact O-N 3.3Å; K173-K177 PolarHBondContact O-N 2.87Å; K173-D189 IonicContact NZ-OD1 2.7Å; K173-D189 PolarHBondContact NZ-OD1 3.04Å
174M65.9Low66.8Low105 Ų10568.4 Ų68.452%0.51736%0.357SS..Hα-helixtrans-61.3-46.8-176.7-169.5174.8-177.800111.4H170 S176 K177 E178H170-M174 PolarHBondContact O-N 2.86Å; M174-S176 PolarHBondContact O-N 3.26Å; M174-K177 PolarHBondContact O-N 3.06Å; M174-E178 PolarHBondContact O-N 3.48Å
175H62.8Low64.6Low53 Ų5370.7 Ų70.725%0.24537%0.371CS..Hα-helixtrans-72.1-29.2-179.3-62.2166.2000113.7H6 L171 K177 E178H6-H175 AromaticContact CE1-CE1 3.82Å; H6-H175 AromaticContact ND1-CE1 3.95Å; H6-H175 AromaticContact ND1-ND1 3.97Å; L171-H175 PolarHBondContact O-N 2.87Å; H175-K177 VanDerWaalsContact C-N 3.33Å; H175-E178 PolarHBondContact O-N 2.92Å
176S58.9Low62.5Low40 Ų4077.6 Ų77.628%0.2840%0.401SS..Hα-helixtrans-69-32175.5-175.80000112.2S172 K173 M174 T180S172-S176 PolarHBondContact O-N 2.92Å; K173-S176 PolarHBondContact O-N 3.3Å; M174-S176 PolarHBondContact O-N 3.26Å; S176-T180 PolarHBondContact O-N 3.46Å
177K57Low61.2Low111 Ų11178.4 Ų78.448%0.48341%0.406SS..Hα-helixtrans-68.9-34.9176.2-79.2-173173.2-172.60112.7K173 M174 H175 K179K173-K177 PolarHBondContact O-N 2.87Å; M174-K177 PolarHBondContact O-N 3.06Å; H175-K177 VanDerWaalsContact C-N 3.33Å; K177-K179 PolarHBondContact O-N 3.49Å
178E57.1Low60.6Low160 Ų16078 Ų7875%0.74841%0.405SS*.Hα-helixtrans-69.9-20.5-178.1-159.5173.6-170.500112.9M174 H175M174-E178 PolarHBondContact O-N 3.48Å; H175-E178 PolarHBondContact O-N 2.92Å
179K49.7Very low60.4Low105 Ų10578.3 Ų78.346%0.45741%0.406SS..Hα-helixtrans-115-17.8-172.3-71-174.2-177.5179.70116.3T2 D3 K177T2-K179 PolarHBondContact OG1-NZ 3.18Å; D3-K179 IonicContact OD1-NZ 3.94Å; D3-K179 PolarHBondContact OD1-NZ 2.85Å; K177-K179 PolarHBondContact O-N 3.49Å
180T44Very low60.4Low61 Ų6179 Ų7937%0.37441%0.409SS..SBendtrans-132.9119.1-171.5-37.60000111.2S176 G182S176-T180 PolarHBondContact O-N 3.46Å; T180-G182 VanDerWaalsContact C-N 3.34Å; T180-G182 PolarHBondContact O-N 3.49Å
181D41.1Very low60.7Low161 Ų16179.5 Ų79.586%0.86141%0.411SS*.  trans-56.790.2174.5-149.99.1000110.2K183D181-K183 PolarHBondContact O-N 3.44Å
182G43.2Very low61.4Low66 Ų6676.2 Ų76.268%0.6839%0.394SS*.SBendtrans59-28.6164.400000120.9T180T180-G182 VanDerWaalsContact C-N 3.34Å; T180-G182 PolarHBondContact O-N 3.49Å
183K38.4Very low62.4Low197 Ų19774.2 Ų74.286%0.85738%0.38SS*.SBendtrans-88.5-29.9-158-72.9-178.2178.41760115.1D181D181-K183 PolarHBondContact O-N 3.44Å
184N36.7Very low63.5Low123 Ų12373.4 Ų73.466%0.65838%0.377SS*.  trans-114.326.3-172.4-80-14.8000114.8K186N184-K186 PolarHBondContact O-N 2.98Å
185V46.2Very low64.9Low49 Ų4969.2 Ų69.230%0.29736%0.357SS..  trans-66.178.5166.5-173.30000108.1S187V185-S187 PolarHBondContact O-N 3.25Å; V185-S187 VanDerWaalsContact O-N 3.08Å
186K48.7Very low66.5Low151 Ų15166.7 Ų66.766%0.65735%0.346SS*.  trans-51118.6164.1-97-178.5174.4176.40105.5N184 S188N184-K186 PolarHBondContact O-N 2.98Å; K186-S188 PolarHBondContact O-N 2.91Å
187S64Low68.3Low16 Ų1664.8 Ų64.811%0.11233%0.332CS..  trans-55.3109.3-171.5-173.40000109.6V185 D189 K190 Q191 Q392V185-S187 PolarHBondContact O-N 3.25Å; V185-S187 VanDerWaalsContact O-N 3.08Å; S187-D189 PolarHBondContact O-N 2.6Å; S187-D189 VanDerWaalsContact O-N 3.17Å; S187-D189 PolarHBondContact OG-OD2 3.24Å; S187-K190 PolarHBondContact O-N 3.18Å; S187-Q191 PolarHBondContact O-N 2.82Å; S187-Q392 PolarHBondContact OG-NE2 3.45Å; S187-Q392 PolarHBondContact OG-OE1 3.12Å
188S78.2Confident70.2Confident5 Ų562.4 Ų62.44%0.03532%0.324CS..Hα-helixtrans-51.6-36.4176.4176.40000110.7C169 K186 K190 Q191 M192C169-S188 PolarHBondContact O-OG 3.37Å; K186-S188 PolarHBondContact O-N 2.91Å; S188-K190 VanDerWaalsContact C-N 3.34Å; S188-K190 PolarHBondContact O-N 3.41Å; S188-Q191 WeakPolarHBondContact O-CB 3.11Å; S188-Q191 PolarHBondContact O-N 3.2Å; S188-Q191 VanDerWaalsContact O-N 3.08Å; S188-M192 PolarHBondContact O-N 3.02Å
189D84.6Confident72Confident16 Ų1655.2 Ų55.29%0.08629%0.29CS..Hα-helixtrans-64.3-35.4-178.5-31.6-24.6000112.1K173 S187 M192 W193 Q392 I452K173-D189 IonicContact NZ-OD1 2.7Å; K173-D189 PolarHBondContact NZ-OD1 3.04Å; S187-D189 PolarHBondContact O-N 2.6Å; S187-D189 VanDerWaalsContact O-N 3.17Å; S187-D189 PolarHBondContact OG-OD2 3.24Å; D189-M192 WeakPolarHBondContact O-CB 3.49Å; D189-M192 PolarHBondContact O-N 2.98Å; D189-W193 PolarHBondContact O-N 3.49Å; D189-Q392 PolarHBondContact OD2-NE2 3.05Å; D189-I452 HydrophobicContact CB-CD1 3.85Å; D189-I452 HydrophobicContact CB-CG1 4.05Å
190K88Confident74.1Confident16 Ų1651.4 Ų51.47%0.0728%0.275CS..Hα-helixtrans-69.1-36.7173.5-69.7179.7172.5-168.20112.2S187 S188 M192 W193 I194 I364 D367 E368S187-K190 PolarHBondContact O-N 3.18Å; S188-K190 VanDerWaalsContact C-N 3.34Å; S188-K190 PolarHBondContact O-N 3.41Å; K190-M192 VanDerWaalsContact C-N 3.34Å; K190-W193 PolarHBondContact O-N 2.88Å; K190-I194 WeakPolarHBondContact O-CG1 3.41Å; K190-I194 PolarHBondContact O-N 2.9Å; K190-I194 VanDerWaalsContact O-N 3.12Å; K190-I364 HydrophobicContact CB-CD1 4.27Å; K190-I364 HydrophobicContact CB-CG2 4.4Å; K190-I364 HydrophobicContact CD-CG2 4.08Å; K190-D367 VanDerWaalsContact CE-OD2 3.27Å; K190-D367 WeakPolarHBondContact CE-OD2 3.4Å; K190-D367 IonicContact NZ-OD2 2.65Å; K190-D367 PolarHBondContact NZ-OD2 3.08Å; K190-E368 VanDerWaalsContact NZ-CG 3.34Å
191Q88.7Confident76.5Confident54 Ų5448.7 Ų48.725%0.25226%0.259SS..Hα-helixtrans-69.3-38176.2-62.8-178.70.300110.9S187 S188 W193 I194 L195S187-Q191 PolarHBondContact O-N 2.82Å; S188-Q191 WeakPolarHBondContact O-CB 3.11Å; S188-Q191 PolarHBondContact O-N 3.2Å; S188-Q191 VanDerWaalsContact O-N 3.08Å; Q191-W193 VanDerWaalsContact C-N 3.34Å; Q191-I194 PolarHBondContact O-N 3.37Å; Q191-L195 WeakPolarHBondContact O-CG 3.49Å; Q191-L195 PolarHBondContact O-N 3.07Å
192M92Very high79.1Confident3 Ų342.3 Ų42.32%0.01523%0.225CC..Hα-helixtrans-59.5-45173-176.7174.172.300111.1V166 C169 S188 D189 K190 I194 L195 F196 T448 S451 I452V166-M192 HydrophobicContact CB-SD 4.36Å; V166-M192 HydrophobicContact CG1-SD 4.21Å; V166-M192 HydrophobicContact CG2-CG 4.47Å; V166-M192 HydrophobicContact CG2-SD 3.78Å; C169-M192 HydrophobicContact CB-CB 4.21Å; S188-M192 PolarHBondContact O-N 3.02Å; D189-M192 WeakPolarHBondContact O-CB 3.49Å; D189-M192 PolarHBondContact O-N 2.98Å; K190-M192 VanDerWaalsContact C-N 3.34Å; M192-I194 PolarHBondContact O-N 3.5Å; M192-L195 PolarHBondContact O-N 3.23Å; M192-F196 HydrophobicContact CE-CE2 4.38Å; M192-F196 HydrophobicContact CG-CD2 3.82Å; M192-F196 HydrophobicContact CG-CE2 3.37Å; M192-F196 HydrophobicContact CG-CZ 4.02Å; M192-F196 WeakPolarHBondContact O-CD2 3.26Å; M192-F196 PolarHBondContact O-N 2.97Å; M192-F196 HydrophobicContact SD-CE2 3.96Å; M192-F196 HydrophobicContact SD-CZ 4.43Å; M192-T448 HydrophobicContact CE-CG2 3.86Å; M192-S451 VanDerWaalsContact SD-CB 3.53Å; M192-I452 HydrophobicContact CE-CD1 4.35Å; M192-I452 HydrophobicContact CE-CG1 3.45Å; M192-I452 VanDerWaalsContact CE-CG1 3.45Å
193W94.5Very high81.4Confident5 Ų539.4 Ų39.42%0.01919%0.194CC..Hα-helixtrans-58.4-47.5174.1-175.319.3000112.6D189 K190 Q191 L195 F196 T197 T360 I363 I364 L395 L396 V399 I445 T448D189-W193 PolarHBondContact O-N 3.49Å; K190-W193 PolarHBondContact O-N 2.88Å; Q191-W193 VanDerWaalsContact C-N 3.34Å; W193-L195 VanDerWaalsContact C-N 3.32Å; W193-L195 PolarHBondContact O-N 2.98Å; W193-F196 PolarHBondContact O-N 3.38Å; W193-T197 PolarHBondContact O-N 3.36Å; W193-T197 PolarHBondContact O-OG1 3.14Å; W193-T197 VanDerWaalsContact O-OG1 3.05Å; W193-T360 HydrophobicContact CD2-CG2 3.8Å; W193-T360 HydrophobicContact CE3-CG2 4.26Å; W193-T360 HydrophobicContact CG-CG2 4.15Å; W193-T360 HydrophobicContact CH2-CG2 4.43Å; W193-T360 HydrophobicContact CZ2-CG2 4Å; W193-I363 HydrophobicContact CH2-CB 4.36Å; W193-I363 HydrophobicContact CH2-CD1 4.44Å; W193-I363 HydrophobicContact CH2-CG2 3.88Å; W193-I363 HydrophobicContact CZ3-CG2 4.1Å; W193-I364 HydrophobicContact CD2-CD1 4.32Å; W193-I364 HydrophobicContact CE3-CD1 3.7Å; W193-I364 HydrophobicContact CE3-CG1 3.79Å; W193-I364 HydrophobicContact CZ3-CD1 4.2Å; W193-I364 HydrophobicContact CZ3-CG1 3.82Å; W193-L395 HydrophobicContact CZ3-CD2 4.31Å; W193-L396 HydrophobicContact CD2-CD2 3.78Å; W193-L396 HydrophobicContact CE3-CD2 3.87Å; W193-L396 HydrophobicContact CG-CD2 4.22Å; W193-L396 HydrophobicContact CH2-CD2 4.47Å; W193-L396 HydrophobicContact CZ2-CD2 4.38Å; W193-L396 HydrophobicContact CZ3-CD2 4.23Å; W193-V399 HydrophobicContact CH2-CG1 4.48Å; W193-V399 HydrophobicContact CH2-CG2 4.34Å; W193-V399 HydrophobicContact CZ2-CG1 4.34Å; W193-I445 HydrophobicContact CZ2-CD1 4.29Å; W193-I445 HydrophobicContact CZ2-CG1 4Å; W193-T448 WeakPolarHBondContact CA-OG1 3.43Å; W193-T448 HydrophobicContact CB-CG2 3.93Å; W193-T448 HydrophobicContact CG-CG2 4.49Å
194I94.9Very high83.9Confident44 Ų4431.2 Ų31.223%0.22616%0.163CC..Hα-helixtrans-58.8-44.7176.7-67.6167.8000111.2K190 Q191 M192 T197 I198 T360 I364K190-I194 WeakPolarHBondContact O-CG1 3.41Å; K190-I194 PolarHBondContact O-N 2.9Å; K190-I194 VanDerWaalsContact O-N 3.12Å; Q191-I194 PolarHBondContact O-N 3.37Å; M192-I194 PolarHBondContact O-N 3.5Å; I194-T197 PolarHBondContact O-N 3.48Å; I194-I198 HydrophobicContact CG2-CD1 3.64Å; I194-I198 HydrophobicContact CG2-CG1 4.28Å; I194-I198 VanDerWaalsContact O-CG1 3.31Å; I194-I198 WeakPolarHBondContact O-CG1 3.46Å; I194-I198 PolarHBondContact O-N 3.49Å; I194-T360 HydrophobicContact CG1-CG2 4.25Å; I194-I364 HydrophobicContact CD1-CD1 3.6Å; I194-I364 HydrophobicContact CG1-CD1 3.34Å
195L94.5Very high86.5Confident17 Ų1728.5 Ų28.59%0.08915%0.149CC..Hα-helixtrans-63.9-45179.6-73.9173.3000111.4I14 Q191 M192 W193 T197 I198 F199I14-L195 HydrophobicContact CD1-CD1 4.07Å; I14-L195 HydrophobicContact CD1-CD2 3.98Å; I14-L195 HydrophobicContact CG1-CD2 4.38Å; I14-L195 HydrophobicContact CG2-CD2 4.12Å; Q191-L195 WeakPolarHBondContact O-CG 3.49Å; Q191-L195 PolarHBondContact O-N 3.07Å; M192-L195 PolarHBondContact O-N 3.23Å; W193-L195 VanDerWaalsContact C-N 3.32Å; W193-L195 PolarHBondContact O-N 2.98Å; L195-T197 VanDerWaalsContact C-N 3.3Å; L195-T197 PolarHBondContact O-N 3.38Å; L195-I198 PolarHBondContact O-N 2.93Å; L195-F199 HydrophobicContact CD2-CE2 4.41Å; L195-F199 VanDerWaalsContact O-CD2 3.31Å; L195-F199 WeakPolarHBondContact O-CD2 3.3Å; L195-F199 PolarHBondContact O-N 2.94Å
196F96.3Very high88.7Confident1 Ų126.5 Ų26.50%0.00414%0.137CC..Hα-helixtrans-57.6-45174.3-74.3-45.3000111.5A162 Q165 V166 M192 W193 I198 F199 D200 P444 R447 T448 S451A162-F196 HydrophobicContact CB-CD1 4.41Å; A162-F196 HydrophobicContact CB-CE1 3.62Å; A162-F196 HydrophobicContact CB-CZ 4.44Å; Q165-F196 HydrophobicContact CB-CE1 4.44Å; Q165-F196 VanDerWaalsContact OE1-CE1 3.23Å; V166-F196 HydrophobicContact CG2-CE1 4.39Å; V166-F196 HydrophobicContact CG2-CE2 4.36Å; V166-F196 HydrophobicContact CG2-CZ 3.57Å; M192-F196 HydrophobicContact CE-CE2 4.38Å; M192-F196 HydrophobicContact CG-CD2 3.82Å; M192-F196 HydrophobicContact CG-CE2 3.37Å; M192-F196 HydrophobicContact CG-CZ 4.02Å; M192-F196 WeakPolarHBondContact O-CD2 3.26Å; M192-F196 PolarHBondContact O-N 2.97Å; M192-F196 HydrophobicContact SD-CE2 3.96Å; M192-F196 HydrophobicContact SD-CZ 4.43Å; W193-F196 PolarHBondContact O-N 3.38Å; F196-I198 PolarHBondContact O-N 3.37Å; F196-F199 PolarHBondContact O-N 2.94Å; F196-D200 VanDerWaalsContact O-CB 3.24Å; F196-D200 WeakPolarHBondContact O-CB 3.28Å; F196-D200 PolarHBondContact O-N 2.96Å; F196-P444 HydrophobicContact CB-CB 3.93Å; F196-R447 HydrophobicContact CD1-CB 4.28Å; F196-R447 HydrophobicContact CD2-CB 4.06Å; F196-R447 HydrophobicContact CE1-CB 4.32Å; F196-R447 HydrophobicContact CE2-CB 4.02Å; F196-R447 HydrophobicContact CG-CB 4.18Å; F196-R447 HydrophobicContact CZ-CB 4.16Å; F196-T448 WeakPolarHBondContact CD2-OG1 3.4Å; F196-S451 WeakPolarHBondContact CZ-OG 3.38Å
197T96.8Very high90.6Very high0 Ų022.6 Ų22.60%013%0.125CC..Hα-helixtrans-63.9-41.5178.9-54.60000112.4W193 I194 L195 G201 S356 V357 P444W193-T197 PolarHBondContact O-N 3.36Å; W193-T197 PolarHBondContact O-OG1 3.14Å; W193-T197 VanDerWaalsContact O-OG1 3.05Å; I194-T197 PolarHBondContact O-N 3.48Å; L195-T197 VanDerWaalsContact C-N 3.3Å; L195-T197 PolarHBondContact O-N 3.38Å; T197-G201 PolarHBondContact O-N 3.35Å; T197-S356 WeakPolarHBondContact CG2-OG 3.34Å; T197-V357 HydrophobicContact CG2-CG2 3.99Å; T197-P444 WeakPolarHBondContact OG1-CB 3.3Å
198I96Very high91.6Very high61 Ų6123.3 Ų23.331%0.31313%0.13SC..Hα-helixtrans-63.8-46.9178.2-70.8169.2000110.8I194 L195 F196 G201 I202 V357I194-I198 HydrophobicContact CG2-CD1 3.64Å; I194-I198 HydrophobicContact CG2-CG1 4.28Å; I194-I198 VanDerWaalsContact O-CG1 3.31Å; I194-I198 WeakPolarHBondContact O-CG1 3.46Å; I194-I198 PolarHBondContact O-N 3.49Å; L195-I198 PolarHBondContact O-N 2.93Å; F196-I198 PolarHBondContact O-N 3.37Å; I198-G201 PolarHBondContact O-N 3.05Å; I198-I202 HydrophobicContact CG2-CD1 3.92Å; I198-I202 WeakPolarHBondContact O-CG1 3.42Å; I198-I202 PolarHBondContact O-N 3.37Å; I198-V357 HydrophobicContact CG1-CG1 4.24Å; I198-V357 HydrophobicContact CG1-CG2 4.41Å
199F96Very high92.1Very high9 Ų924.7 Ų24.74%0.03914%0.142CC..Hα-helixtrans-72.6-34.4-177.4-84.9-99.9000113.1I14 L17 V18 T21 V161 Q165 L195 F196 G201 I202 A203I14-F199 HydrophobicContact CG2-CE2 4.42Å; L17-F199 HydrophobicContact CB-CE1 4.14Å; L17-F199 HydrophobicContact CB-CZ 3.93Å; L17-F199 HydrophobicContact CD2-CE1 3.89Å; L17-F199 HydrophobicContact CD2-CZ 3.73Å; L17-F199 HydrophobicContact CG-CE1 3.64Å; L17-F199 HydrophobicContact CG-CZ 3.78Å; V18-F199 HydrophobicContact CB-CZ 4.42Å; V18-F199 HydrophobicContact CG2-CE1 4.12Å; V18-F199 HydrophobicContact CG2-CE2 3.93Å; V18-F199 HydrophobicContact CG2-CZ 3.52Å; T21-F199 HydrophobicContact CG2-CD1 4.04Å; T21-F199 HydrophobicContact CG2-CE1 4.49Å; T21-F199 WeakPolarHBondContact OG1-CE1 3.39Å; V161-F199 HydrophobicContact CG1-CD1 3.7Å; V161-F199 HydrophobicContact CG1-CE1 4.03Å; V161-F199 HydrophobicContact CG1-CG 4.44Å; Q165-F199 HydrophobicContact CG-CE2 4.49Å; Q165-F199 VanDerWaalsContact NE2-CD1 3.31Å; L195-F199 HydrophobicContact CD2-CE2 4.41Å; L195-F199 VanDerWaalsContact O-CD2 3.31Å; L195-F199 WeakPolarHBondContact O-CD2 3.3Å; L195-F199 PolarHBondContact O-N 2.94Å; F196-F199 PolarHBondContact O-N 2.94Å; F199-G201 VanDerWaalsContact C-N 3.34Å; F199-I202 PolarHBondContact O-N 2.94Å; F199-A203 WeakPolarHBondContact O-CB 3.31Å; F199-A203 PolarHBondContact O-N 3.5Å
200D94Very high92.4Very high24 Ų2423.9 Ų23.913%0.12814%0.138CC..Hα-helixtrans-65.4-40.6171.3-161.174.1000110.9F196 A203 A204 V443 P444F196-D200 VanDerWaalsContact O-CB 3.24Å; F196-D200 WeakPolarHBondContact O-CB 3.28Å; F196-D200 PolarHBondContact O-N 2.96Å; D200-A203 WeakPolarHBondContact O-CB 3.16Å; D200-A203 PolarHBondContact O-N 2.9Å; D200-A204 PolarHBondContact O-N 3.4Å; D200-V443 WeakPolarHBondContact OD1-CG1 3.36Å; D200-P444 HydrophobicContact CB-CG 3.78Å
201G94.5Very high92.4Very high5 Ų525.6 Ų25.65%0.05215%0.152CC..Hα-helixtrans-61.2-46.1172.500000112.9T197 I198 F199 A203 A204 L205T197-G201 PolarHBondContact O-N 3.35Å; I198-G201 PolarHBondContact O-N 3.05Å; F199-G201 VanDerWaalsContact C-N 3.34Å; G201-A203 VanDerWaalsContact C-N 3.29Å; G201-A203 PolarHBondContact O-N 3.28Å; G201-A204 PolarHBondContact O-N 3.2Å; G201-L205 VanDerWaalsContact O-CG 3.29Å; G201-L205 WeakPolarHBondContact O-CG 3.41Å; G201-L205 PolarHBondContact O-N 3.43Å
202I94.8Very high92.4Very high26 Ų2627 Ų2713%0.13317%0.165CC..Hα-helixtrans-56.5-46.3174.4-74.4165.2000110.7V18 T21 V22 I198 F199 L205 C206V18-I202 HydrophobicContact CG1-CD1 4.05Å; V18-I202 HydrophobicContact CG2-CD1 4.21Å; T21-I202 HydrophobicContact CG2-CG2 4.17Å; V22-I202 HydrophobicContact CG2-CG2 3.5Å; I198-I202 HydrophobicContact CG2-CD1 3.92Å; I198-I202 WeakPolarHBondContact O-CG1 3.42Å; I198-I202 PolarHBondContact O-N 3.37Å; F199-I202 PolarHBondContact O-N 2.94Å; I202-L205 WeakPolarHBondContact O-CB 3.21Å; I202-L205 PolarHBondContact O-N 3.46Å; I202-C206 PolarHBondContact O-N 3.14Å; I202-C206 PolarHBondContact O-SG 3.36Å; I202-C206 VanDerWaalsContact O-SG 3.35Å
203A92.5Very high92.3Very high5 Ų530 Ų304%0.04118%0.181CC..Hα-helixtrans-62.4-45.2178.800000113.2Y25 F158 F199 D200 G201 L205 C206 V207Y25-A203 HydrophobicContact CD2-CB 3.89Å; Y25-A203 HydrophobicContact CE2-CB 3.98Å; F158-A203 HydrophobicContact CE1-CB 3.33Å; F158-A203 HydrophobicContact CZ-CB 3.43Å; F158-A203 VanDerWaalsContact CZ-CB 3.43Å; F199-A203 WeakPolarHBondContact O-CB 3.31Å; F199-A203 PolarHBondContact O-N 3.5Å; D200-A203 WeakPolarHBondContact O-CB 3.16Å; D200-A203 PolarHBondContact O-N 2.9Å; G201-A203 VanDerWaalsContact C-N 3.29Å; G201-A203 PolarHBondContact O-N 3.28Å; A203-L205 PolarHBondContact O-N 2.92Å; A203-C206 WeakPolarHBondContact O-CB 3.32Å; A203-C206 PolarHBondContact O-N 2.89Å; A203-C206 VanDerWaalsContact O-N 3.12Å; A203-V207 WeakPolarHBondContact O-CG2 3.3Å; A203-V207 PolarHBondContact O-N 2.89Å
204A90.1Very high92.2Very high25 Ų2529.8 Ų29.821%0.20718%0.18CC..Hα-helixtrans-58.8-39.1175.300000111.7D200 G201 S208 A353D200-A204 PolarHBondContact O-N 3.4Å; G201-A204 PolarHBondContact O-N 3.2Å; A204-S208 WeakPolarHBondContact O-CB 3.25Å; A204-S208 PolarHBondContact O-N 3.29Å; A204-A353 HydrophobicContact CB-CB 4.17Å
205L91.6Very high91.9Very high66 Ų6629 Ų2935%0.34618%0.183SC..Hα-helixtrans-65.7-42.2174.3-65.9174.8000112.1G201 I202 A203 S208 A209 V350G201-L205 VanDerWaalsContact O-CG 3.29Å; G201-L205 WeakPolarHBondContact O-CG 3.41Å; G201-L205 PolarHBondContact O-N 3.43Å; I202-L205 WeakPolarHBondContact O-CB 3.21Å; I202-L205 PolarHBondContact O-N 3.46Å; A203-L205 PolarHBondContact O-N 2.92Å; L205-S208 PolarHBondContact O-N 2.95Å; L205-A209 WeakPolarHBondContact O-CB 3.32Å; L205-A209 PolarHBondContact O-N 2.84Å; L205-V350 HydrophobicContact CD2-CB 4.19Å; L205-V350 HydrophobicContact CD2-CG1 3.87Å; L205-V350 HydrophobicContact CD2-CG2 3.88Å
206C92.8Very high91.7Very high8 Ų830.5 Ų30.55%0.05420%0.198CC..Hα-helixtrans-60.9-46.5175.9-70.50000111.8I202 A203 A209 G210I202-C206 PolarHBondContact O-N 3.14Å; I202-C206 PolarHBondContact O-SG 3.36Å; I202-C206 VanDerWaalsContact O-SG 3.35Å; A203-C206 WeakPolarHBondContact O-CB 3.32Å; A203-C206 PolarHBondContact O-N 2.89Å; A203-C206 VanDerWaalsContact O-N 3.12Å; C206-A209 PolarHBondContact O-N 2.9Å; C206-G210 PolarHBondContact O-N 3.32Å
207V87.6Confident91.5Very high68 Ų6831.8 Ų31.841%0.41221%0.205SC..Hα-helixtrans-60.2-47176.21750000110.7E29 A203 A209E29-V207 HydrophobicContact CG-CG2 4.05Å; A203-V207 WeakPolarHBondContact O-CG2 3.3Å; A203-V207 PolarHBondContact O-N 2.89Å; V207-A209 VanDerWaalsContact C-N 3.3Å; V207-A209 PolarHBondContact O-N 3.34Å
208S85.7Confident91.2Very high31 Ų3132.6 Ų32.622%0.21721%0.209CC..Hα-helixtrans-67.9-27.7179.7-174.10000113.4A204 L205 P212A204-S208 WeakPolarHBondContact O-CB 3.25Å; A204-S208 PolarHBondContact O-N 3.29Å; L205-S208 PolarHBondContact O-N 2.95Å; S208-P212 WeakPolarHBondContact O-CD 3.33Å; S208-P212 WeakPolarHBondContact O-CG 3.43Å
209A89.2Confident90.7Very high34 Ų3433.8 Ų33.828%0.28121%0.21SC..Hα-helixtrans-89.9-30.6-178.800000113.1L26 L205 C206 V207 S211 P212 I213L26-A209 HydrophobicContact CD1-CB 4.18Å; L205-A209 WeakPolarHBondContact O-CB 3.32Å; L205-A209 PolarHBondContact O-N 2.84Å; C206-A209 PolarHBondContact O-N 2.9Å; V207-A209 VanDerWaalsContact C-N 3.3Å; V207-A209 PolarHBondContact O-N 3.34Å; A209-S211 PolarHBondContact O-N 3.36Å; A209-P212 WeakPolarHBondContact O-CD 3.15Å; A209-I213 HydrophobicContact CB-CD1 3.97Å; A209-I213 WeakPolarHBondContact O-CB 3.18Å; A209-I213 WeakPolarHBondContact O-CD1 3.46Å; A209-I213 WeakPolarHBondContact O-CG1 3.45Å; A209-I213 PolarHBondContact O-N 3.5Å
210G89.3Confident90.2Very high0 Ų039.5 Ų39.50%024%0.237CC..Hα-helixtrans-58.1-48.7-174.400000113.1C206 G214C206-G210 PolarHBondContact O-N 3.32Å; G210-G214 PolarHBondContact O-N 3.34Å
211S87.7Confident89.9Confident51 Ų5146 Ų4636%0.35726%0.26SS..Hα-helixtrans-66.1-49.6-179.7-70.20000113.4F33 A209 I213 G214 G215F33-S211 WeakPolarHBondContact CD2-OG 3.22Å; A209-S211 PolarHBondContact O-N 3.36Å; S211-I213 PolarHBondContact O-N 3.29Å; S211-G214 PolarHBondContact O-N 3.2Å; S211-G215 PolarHBondContact O-N 3.36Å
212P89.1Confident89.7Confident83 Ų8347 Ų4754%0.53927%0.271SS..Hα-helixtrans-59.9-42.2174.8-27.135.1000114.1S208 A209 G215 A216S208-P212 WeakPolarHBondContact O-CD 3.33Å; S208-P212 WeakPolarHBondContact O-CG 3.43Å; A209-P212 WeakPolarHBondContact O-CD 3.15Å; P212-G215 PolarHBondContact O-N 3.11Å; P212-A216 WeakPolarHBondContact O-CB 3.17Å; P212-A216 PolarHBondContact O-N 3.03Å
213I91.4Very high89.5Confident68 Ų6847 Ų4735%0.34927%0.269SS..Hα-helixtrans-64.7-45.5178.1-67.9168.6000109.8L26 L30 A209 S211 A216 L217L26-I213 HydrophobicContact CD1-CD1 4.27Å; L30-I213 HydrophobicContact CD1-CB 4.39Å; L30-I213 HydrophobicContact CD1-CG2 4.06Å; A209-I213 HydrophobicContact CB-CD1 3.97Å; A209-I213 WeakPolarHBondContact O-CB 3.18Å; A209-I213 WeakPolarHBondContact O-CD1 3.46Å; A209-I213 WeakPolarHBondContact O-CG1 3.45Å; A209-I213 PolarHBondContact O-N 3.5Å; S211-I213 PolarHBondContact O-N 3.29Å; I213-A216 PolarHBondContact O-N 2.84Å; I213-L217 HydrophobicContact CG2-CD1 3.79Å; I213-L217 HydrophobicContact CG2-CG 4.36Å; I213-L217 WeakPolarHBondContact O-CB 2.99Å; I213-L217 VanDerWaalsContact O-CG 3.27Å; I213-L217 WeakPolarHBondContact O-CG 3.25Å; I213-L217 PolarHBondContact O-N 2.7Å
214G91.6Very high89.6Confident0 Ų052.2 Ų52.20%029%0.293CS..Hα-helixtrans-59.6-47.2175.700000112.5G210 S211 A216 L217 I218G210-G214 PolarHBondContact O-N 3.34Å; S211-G214 PolarHBondContact O-N 3.2Å; G214-A216 PolarHBondContact O-N 3.3Å; G214-L217 PolarHBondContact O-N 3.15Å; G214-I218 WeakPolarHBondContact O-CB 3.46Å; G214-I218 WeakPolarHBondContact O-CD1 2.88Å; G214-I218 WeakPolarHBondContact O-CG1 3.23Å; G214-I218 PolarHBondContact O-N 3.29Å
215G89.1Confident89.8Confident27 Ų2753.9 Ų53.928%0.27830%0.301SS..Hα-helixtrans-59.9-46177.300000112.4S211 P212 Y219S211-G215 PolarHBondContact O-N 3.36Å; P212-G215 PolarHBondContact O-N 3.11Å; G215-Y219 WeakPolarHBondContact O-CB 3.46Å; G215-Y219 PolarHBondContact O-N 2.91Å
216A90.1Very high89.9Confident49 Ų4950.8 Ų50.841%0.40528%0.284SS..Hα-helixtrans-64.6-44.1178.400000112.3P212 I213 G214 Y219 H220P212-A216 WeakPolarHBondContact O-CB 3.17Å; P212-A216 PolarHBondContact O-N 3.03Å; I213-A216 PolarHBondContact O-N 2.84Å; G214-A216 PolarHBondContact O-N 3.3Å; A216-Y219 PolarHBondContact O-N 3.34Å; A216-H220 WeakPolarHBondContact O-CB 3.5Å; A216-H220 PolarHBondContact O-CD2 3.08Å; A216-H220 VanDerWaalsContact O-CD2 3.32Å; A216-H220 PolarHBondContact O-N 3.24Å
217L92.1Very high90Very high28 Ų2850.4 Ų50.415%0.14728%0.282CS..Hα-helixtrans-62.4-47.2177.8-72.9170.8000111.4L30 I213 G214 Y219 Y221 G222 V225 A226 T229L30-L217 HydrophobicContact CD1-CD1 4.43Å; L30-L217 HydrophobicContact CD2-CD1 4.42Å; I213-L217 HydrophobicContact CG2-CD1 3.79Å; I213-L217 HydrophobicContact CG2-CG 4.36Å; I213-L217 WeakPolarHBondContact O-CB 2.99Å; I213-L217 VanDerWaalsContact O-CG 3.27Å; I213-L217 WeakPolarHBondContact O-CG 3.25Å; I213-L217 PolarHBondContact O-N 2.7Å; G214-L217 PolarHBondContact O-N 3.15Å; L217-Y219 PolarHBondContact O-N 2.99Å; L217-Y221 HydrophobicContact CD2-CD2 4.14Å; L217-Y221 WeakPolarHBondContact O-CA 3.34Å; L217-Y221 WeakPolarHBondContact O-CB 3.38Å; L217-Y221 PolarHBondContact O-N 3.02Å; L217-G222 PolarHBondContact O-N 2.96Å; L217-V225 HydrophobicContact CD2-CG1 4.46Å; L217-A226 HydrophobicContact CB-CB 3.8Å; L217-T229 HydrophobicContact CD1-CG2 3.88Å
218I89.9Confident90.4Very high17 Ų1752.9 Ų52.99%0.08729%0.287CS..Hα-helixtrans-64-43178.2-65.1166.6000110.7F33 I34 Q37 G214 G222 F223 A226F33-I218 HydrophobicContact CD1-CD1 4.25Å; F33-I218 HydrophobicContact CE1-CD1 4.06Å; I34-I218 HydrophobicContact CG1-CD1 4.1Å; Q37-I218 HydrophobicContact CB-CD1 3.94Å; Q37-I218 HydrophobicContact CG-CD1 4.17Å; G214-I218 WeakPolarHBondContact O-CB 3.46Å; G214-I218 WeakPolarHBondContact O-CD1 2.88Å; G214-I218 WeakPolarHBondContact O-CG1 3.23Å; G214-I218 PolarHBondContact O-N 3.29Å; I218-G222 VanDerWaalsContact O-CA 3.23Å; I218-G222 WeakPolarHBondContact O-CA 3.18Å; I218-G222 PolarHBondContact O-N 3.05Å; I218-F223 HydrophobicContact CD1-CD1 4.03Å; I218-F223 HydrophobicContact CD1-CE1 3.78Å; I218-F223 HydrophobicContact CG1-CD1 4.08Å; I218-F223 HydrophobicContact CG1-CE1 4.2Å; I218-F223 HydrophobicContact CG2-CD1 4.26Å; I218-F223 HydrophobicContact CG2-CD2 4.22Å; I218-F223 HydrophobicContact CG2-CE1 3.96Å; I218-F223 HydrophobicContact CG2-CE2 3.91Å; I218-F223 HydrophobicContact CG2-CG 4.39Å; I218-F223 HydrophobicContact CG2-CZ 3.77Å; I218-A226 HydrophobicContact CG1-CB 3.79Å
219Y84.6Confident90.9Very high85 Ų8553.7 Ų53.733%0.33329%0.291SS..Hα-helixtrans-66.5-38.1-177.1-178.3-103.7000113.4K54 G215 A216 L217K54-Y219 HydrophobicContact CB-CE2 4.16Å; K54-Y219 WeakPolarHBondContact CB-OH 3.47Å; K54-Y219 WeakPolarHBondContact CG-OH 3.26Å; G215-Y219 WeakPolarHBondContact O-CB 3.46Å; G215-Y219 PolarHBondContact O-N 2.91Å; A216-Y219 PolarHBondContact O-N 3.34Å; L217-Y219 PolarHBondContact O-N 2.99Å
220H85.8Confident91.1Very high130 Ų13052.1 Ų52.160%0.60228%0.278SS*.Hα-helixtrans-94.7-39.5-176.7-73.1-69.2000114.2A216A216-H220 WeakPolarHBondContact O-CB 3.5Å; A216-H220 PolarHBondContact O-CD2 3.08Å; A216-H220 VanDerWaalsContact O-CD2 3.32Å; A216-H220 PolarHBondContact O-N 3.24Å
221Y89.2Confident91.4Very high161 Ų16154.6 Ų54.663%0.63129%0.291SS*.Hα-helixtrans-118.9-7.7-170.3-56.3-76.3000113.5L217 V225L217-Y221 HydrophobicContact CD2-CD2 4.14Å; L217-Y221 WeakPolarHBondContact O-CA 3.34Å; L217-Y221 WeakPolarHBondContact O-CB 3.38Å; L217-Y221 PolarHBondContact O-N 3.02Å; Y221-V225 HydrophobicContact CG-CG1 4.26Å
222G89.1Confident91.8Very high26 Ų2654 Ų5427%0.26829%0.293SS..Hα-helixtrans82177.2-179.200000114.1L217 I218 Q224 A226L217-G222 PolarHBondContact O-N 2.96Å; I218-G222 VanDerWaalsContact O-CA 3.23Å; I218-G222 WeakPolarHBondContact O-CA 3.18Å; I218-G222 PolarHBondContact O-N 3.05Å; G222-Q224 VanDerWaalsContact C-N 3.33Å; G222-Q224 PolarHBondContact O-N 3.05Å; G222-A226 PolarHBondContact O-N 3.28Å
223F91.7Very high92.1Very high24 Ų2452.1 Ų52.111%0.10528%0.278CS..Hα-helixtrans-63.3-33.7-174.4-72.9-83000114.1I34 Q37 Y38 Y41 Y51 V131 I218 A226 M227I34-F223 HydrophobicContact CG2-CD1 4.28Å; Q37-F223 HydrophobicContact CB-CE1 3.86Å; Q37-F223 HydrophobicContact CB-CZ 4.19Å; Y38-F223 HydrophobicContact CD2-CD1 4.01Å; Y38-F223 HydrophobicContact CD2-CD2 4.49Å; Y38-F223 HydrophobicContact CD2-CE1 4.26Å; Y38-F223 HydrophobicContact CD2-CG 4.14Å; Y41-F223 HydrophobicContact CD1-CE2 4.28Å; Y41-F223 AromaticContact CD2-CE2 3.71Å; Y41-F223 HydrophobicContact CD2-CE2 3.71Å; Y41-F223 HydrophobicContact CD2-CZ 4.41Å; Y41-F223 HydrophobicContact CE2-CE2 4.39Å; Y41-F223 AromaticContact CG-CE2 3.68Å; Y41-F223 HydrophobicContact CG-CE2 3.68Å; Y41-F223 HydrophobicContact CG-CZ 4.09Å; Y51-F223 HydrophobicContact CE1-CZ 4.5Å; V131-F223 HydrophobicContact CG1-CB 3.78Å; I218-F223 HydrophobicContact CD1-CD1 4.03Å; I218-F223 HydrophobicContact CD1-CE1 3.78Å; I218-F223 HydrophobicContact CG1-CD1 4.08Å; I218-F223 HydrophobicContact CG1-CE1 4.2Å; I218-F223 HydrophobicContact CG2-CD1 4.26Å; I218-F223 HydrophobicContact CG2-CD2 4.22Å; I218-F223 HydrophobicContact CG2-CE1 3.96Å; I218-F223 HydrophobicContact CG2-CE2 3.91Å; I218-F223 HydrophobicContact CG2-CG 4.39Å; I218-F223 HydrophobicContact CG2-CZ 3.77Å; F223-A226 PolarHBondContact O-N 3.17Å; F223-M227 WeakPolarHBondContact O-CB 3.35Å; F223-M227 PolarHBondContact O-N 3.45Å
224Q93.5Very high92.3Very high116 Ų11649.2 Ų49.254%0.54226%0.264SS..Hα-helixtrans-63.1-47.7-176.4-58.2-173.4-41.100111.7L132 G222 M227 F228L132-Q224 HydrophobicContact CD2-CB 3.93Å; L132-Q224 HydrophobicContact CD2-CG 3.79Å; G222-Q224 VanDerWaalsContact C-N 3.33Å; G222-Q224 PolarHBondContact O-N 3.05Å; Q224-M227 WeakPolarHBondContact O-CB 3.08Å; Q224-M227 PolarHBondContact O-N 3.2Å; Q224-F228 WeakPolarHBondContact O-CD2 3.43Å; Q224-F228 PolarHBondContact O-N 3.1Å
225V93.6Very high92.4Very high60 Ų6052.8 Ų52.836%0.36429%0.285SS..Hα-helixtrans-67.6-39.6179.8177.20000111.2L217 Y221 M227 F228 T229L217-V225 HydrophobicContact CD2-CG1 4.46Å; Y221-V225 HydrophobicContact CG-CG1 4.26Å; V225-M227 VanDerWaalsContact C-N 3.29Å; V225-M227 PolarHBondContact O-N 3.07Å; V225-F228 PolarHBondContact O-N 2.82Å; V225-T229 WeakPolarHBondContact O-CB 3.38Å; V225-T229 PolarHBondContact O-N 3.26Å; V225-T229 PolarHBondContact O-OG1 3.35Å
226A94.3Very high92.6Very high0 Ų053.6 Ų53.60%029%0.285CS..Hα-helixtrans-59.3-43.6174.400000111.1I34 L217 I218 G222 F223 T229 S230I34-A226 VanDerWaalsContact CD1-C 3.45Å; I34-A226 HydrophobicContact CD1-CB 3.64Å; I34-A226 WeakPolarHBondContact CD1-O 3.28Å; I34-A226 HydrophobicContact CG1-CB 3.9Å; L217-A226 HydrophobicContact CB-CB 3.8Å; I218-A226 HydrophobicContact CG1-CB 3.79Å; G222-A226 PolarHBondContact O-N 3.28Å; F223-A226 PolarHBondContact O-N 3.17Å; A226-T229 WeakPolarHBondContact O-CB 3.44Å; A226-T229 PolarHBondContact O-N 3.48Å; A226-S230 PolarHBondContact O-N 2.63Å
227M95.1Very high92.8Very high0 Ų051.2 Ų51.20%027%0.266CS..Hα-helixtrans-65.2-49178.7-168.264.5-128.800112.6N31 I34 V124 G128 F223 Q224 V225 T229 S230 L231N31-M227 WeakPolarHBondContact OD1-CE 3.36Å; I34-M227 HydrophobicContact CG2-SD 4.44Å; V124-M227 HydrophobicContact CB-CE 4.47Å; V124-M227 HydrophobicContact CG1-CE 3.4Å; V124-M227 VanDerWaalsContact CG1-CE 3.4Å; V124-M227 WeakPolarHBondContact O-CE 3.36Å; G128-M227 WeakPolarHBondContact CA-SD 3.31Å; F223-M227 WeakPolarHBondContact O-CB 3.35Å; F223-M227 PolarHBondContact O-N 3.45Å; Q224-M227 WeakPolarHBondContact O-CB 3.08Å; Q224-M227 PolarHBondContact O-N 3.2Å; V225-M227 VanDerWaalsContact C-N 3.29Å; V225-M227 PolarHBondContact O-N 3.07Å; M227-T229 PolarHBondContact O-N 3.43Å; M227-S230 WeakPolarHBondContact CE-OG 3.38Å; M227-S230 PolarHBondContact O-N 3.21Å; M227-S230 VanDerWaalsContact O-N 3.14Å; M227-S230 PolarHBondContact O-OG 3.09Å; M227-L231 HydrophobicContact CE-CD1 4.17Å; M227-L231 HydrophobicContact CE-CD2 4.41Å; M227-L231 HydrophobicContact CE-CG 3.88Å; M227-L231 PolarHBondContact O-N 3.06Å
228F96Very high92.8Very high121 Ų12153.5 Ų53.553%0.53128%0.278SS..Hα-helixtrans-60.3-32.2175.4-74.8-58.1000112.4L132 Q224 V225 G232L132-F228 HydrophobicContact CD1-CE1 4.22Å; L132-F228 HydrophobicContact CD1-CZ 3.93Å; L132-F228 HydrophobicContact CD2-CE2 4.11Å; L132-F228 HydrophobicContact CD2-CZ 4.23Å; Q224-F228 WeakPolarHBondContact O-CD2 3.43Å; Q224-F228 PolarHBondContact O-N 3.1Å; V225-F228 PolarHBondContact O-N 2.82Å; F228-G232 PolarHBondContact O-N 3.33Å
229T95.5Very high93Very high48 Ų4857.4 Ų57.429%0.29430%0.298SS..Hα-helixtrans-66.1-46.3174.7-57.70000111.2L30 L217 V225 A226 M227 L231 G232 L233L30-T229 HydrophobicContact CD2-CG2 4.02Å; L217-T229 HydrophobicContact CD1-CG2 3.88Å; V225-T229 WeakPolarHBondContact O-CB 3.38Å; V225-T229 PolarHBondContact O-N 3.26Å; V225-T229 PolarHBondContact O-OG1 3.35Å; A226-T229 WeakPolarHBondContact O-CB 3.44Å; A226-T229 PolarHBondContact O-N 3.48Å; M227-T229 PolarHBondContact O-N 3.43Å; T229-L231 PolarHBondContact O-N 2.76Å; T229-G232 PolarHBondContact O-N 3.01Å; T229-L233 HydrophobicContact CG2-CD1 4.33Å; T229-L233 WeakPolarHBondContact O-CG 3.36Å; T229-L233 PolarHBondContact O-N 2.9Å
230S95.2Very high93.3Very high0 Ų054.8 Ų54.80%029%0.29CS..Hα-helixtrans-62.2-40.4176.568.40000112.5A27 A226 M227 L233 L234A27-S230 WeakPolarHBondContact CB-O 3.25Å; A226-S230 PolarHBondContact O-N 2.63Å; M227-S230 WeakPolarHBondContact CE-OG 3.38Å; M227-S230 PolarHBondContact O-N 3.21Å; M227-S230 VanDerWaalsContact O-N 3.14Å; M227-S230 PolarHBondContact O-OG 3.09Å; S230-L233 PolarHBondContact O-N 3.39Å; S230-L234 PolarHBondContact O-N 2.83Å
231L95Very high93.6Very high52 Ų5249.2 Ų49.227%0.27226%0.264SS..Hα-helixtrans-65.1-43.2173.5-74.2167.9000112.1V124 M227 T229 L233 L234V124-L231 HydrophobicContact CB-CD2 4.41Å; V124-L231 HydrophobicContact CG1-CD2 3.71Å; V124-L231 HydrophobicContact CG1-CG 4.03Å; M227-L231 HydrophobicContact CE-CD1 4.17Å; M227-L231 HydrophobicContact CE-CD2 4.41Å; M227-L231 HydrophobicContact CE-CG 3.88Å; M227-L231 PolarHBondContact O-N 3.06Å; T229-L231 PolarHBondContact O-N 2.76Å; L231-L233 VanDerWaalsContact C-N 3.28Å; L231-L233 PolarHBondContact O-N 3.2Å; L231-L234 WeakPolarHBondContact O-CB 3.18Å; L231-L234 PolarHBondContact O-N 3.01Å; L231-L234 VanDerWaalsContact O-N 3.08Å
232G95.4Very high93.6Very high40 Ų4048 Ų4841%0.41226%0.262SS..Hα-helixtrans-60.5-37.1176.600000112.7F228 T229 L234 V235 P236F228-G232 PolarHBondContact O-N 3.33Å; T229-G232 PolarHBondContact O-N 3.01Å; G232-L234 VanDerWaalsContact C-N 3.26Å; G232-L234 PolarHBondContact O-N 3.07Å; G232-V235 WeakPolarHBondContact O-CB 2.97Å; G232-V235 PolarHBondContact O-N 2.85Å; G232-P236 WeakPolarHBondContact O-CD 3.37Å
233L96Very high93.7Very high43 Ų4349.6 Ų49.623%0.22527%0.268CS..Hα-helixtrans-68.5-19.1175.7-73.2170000113.3T23 L26 A27 L30 T229 S230 L231 P236T23-L233 CarbonylContact C-O 3.57Å; T23-L233 VanDerWaalsContact CB-O 3.27Å; T23-L233 WeakPolarHBondContact CB-O 3.32Å; L26-L233 HydrophobicContact CD2-CD1 4.09Å; L26-L233 HydrophobicContact CD2-CD2 4.49Å; L26-L233 HydrophobicContact CG-CD1 4.06Å; A27-L233 HydrophobicContact CB-CB 3.68Å; L30-L233 HydrophobicContact CD2-CD1 4.04Å; T229-L233 HydrophobicContact CG2-CD1 4.33Å; T229-L233 WeakPolarHBondContact O-CG 3.36Å; T229-L233 PolarHBondContact O-N 2.9Å; S230-L233 PolarHBondContact O-N 3.39Å; L231-L233 VanDerWaalsContact C-N 3.28Å; L231-L233 PolarHBondContact O-N 3.2Å; L233-P236 WeakPolarHBondContact O-CD 3.16Å
234L94.9Very high93.5Very high7 Ų748.6 Ų48.64%0.03726%0.264CS..Hα-helixtrans-80-25.1174-68.6177.7000113.5L24 A27 I121 V124 S230 L231 G232 S237 L238L24-L234 HydrophobicContact CD1-CD2 3.44Å; L24-L234 VanDerWaalsContact CD1-CD2 3.44Å; A27-L234 HydrophobicContact CB-CD2 3.55Å; A27-L234 HydrophobicContact CB-CG 3.78Å; I121-L234 HydrophobicContact CG1-CD1 4.21Å; V124-L234 HydrophobicContact CB-CD1 3.62Å; V124-L234 HydrophobicContact CG1-CD1 3.83Å; V124-L234 HydrophobicContact CG2-CD1 3.78Å; S230-L234 PolarHBondContact O-N 2.83Å; L231-L234 WeakPolarHBondContact O-CB 3.18Å; L231-L234 PolarHBondContact O-N 3.01Å; L231-L234 VanDerWaalsContact O-N 3.08Å; G232-L234 VanDerWaalsContact C-N 3.26Å; G232-L234 PolarHBondContact O-N 3.07Å; L234-S237 PolarHBondContact O-N 3.32Å; L234-S237 VanDerWaalsContact O-N 3.09Å; L234-L238 PolarHBondContact O-N 3.28Å
235V94Very high93.1Very high74 Ų7445.1 Ų45.145%0.44825%0.252SS..Hα-helixtrans-56.7-45.5-174.9176.60000112.6G232 S237 L238 I239G232-V235 WeakPolarHBondContact O-CB 2.97Å; G232-V235 PolarHBondContact O-N 2.85Å; V235-S237 VanDerWaalsContact C-N 3.33Å; V235-S237 PolarHBondContact O-N 3.24Å; V235-L238 PolarHBondContact O-N 2.93Å; V235-I239 HydrophobicContact CG1-CD1 3.73Å; V235-I239 HydrophobicContact CG1-CG1 4.38Å; V235-I239 WeakPolarHBondContact O-CG1 3.47Å; V235-I239 PolarHBondContact O-N 3.2Å
236P94.3Very high92.8Very high44 Ų4445 Ų4529%0.28625%0.247SC..Hα-helixtrans-57.5-44.5175.5-25.335.1000112.4T23 G232 L233 L238 I239 L240T23-P236 HydrophobicContact CG2-CB 4Å; T23-P236 HydrophobicContact CG2-CG 4.04Å; G232-P236 WeakPolarHBondContact O-CD 3.37Å; L233-P236 WeakPolarHBondContact O-CD 3.16Å; P236-L238 VanDerWaalsContact C-N 3.31Å; P236-L238 PolarHBondContact O-N 3.46Å; P236-I239 PolarHBondContact O-N 3Å; P236-L240 VanDerWaalsContact O-CB 3.27Å; P236-L240 WeakPolarHBondContact O-CB 3.49Å; P236-L240 WeakPolarHBondContact O-CG 3.41Å; P236-L240 PolarHBondContact O-N 3.41Å
237S93.6Very high92.2Very high0 Ų046.3 Ų46.30%026%0.255CS..Hα-helixtrans-63.5-37.9179.3-58.20000112.1M20 T23 L24 L234 V235 I241M20-S237 PolarHBondContact O-OG 3.16Å; T23-S237 PolarHBondContact OG1-OG 2.83Å; L24-S237 PolarHBondContact N-OG 3.47Å; L234-S237 PolarHBondContact O-N 3.32Å; L234-S237 VanDerWaalsContact O-N 3.09Å; V235-S237 VanDerWaalsContact C-N 3.33Å; V235-S237 PolarHBondContact O-N 3.24Å; S237-I241 PolarHBondContact O-N 3.19Å; S237-I241 VanDerWaalsContact O-N 3.11Å
238L92Very high91.4Very high76 Ų7647.2 Ų47.240%0.39826%0.259SS..Hα-helixtrans-66.5-36.3175.6-177.861.7000113I121 L234 V235 P236 I241 F242I121-L238 HydrophobicContact CD1-CB 4.41Å; I121-L238 HydrophobicContact CD1-CD1 3.77Å; I121-L238 HydrophobicContact CD1-CD2 4.37Å; I121-L238 HydrophobicContact CD1-CG 4.41Å; L234-L238 PolarHBondContact O-N 3.28Å; V235-L238 PolarHBondContact O-N 2.93Å; P236-L238 VanDerWaalsContact C-N 3.31Å; P236-L238 PolarHBondContact O-N 3.46Å; L238-I241 VanDerWaalsContact O-CG2 3.26Å; L238-I241 WeakPolarHBondContact O-CG2 3.38Å; L238-F242 HydrophobicContact CD1-CE2 4.5Å; L238-F242 WeakPolarHBondContact O-CD2 3.45Å; L238-F242 VanDerWaalsContact O-CE2 3.25Å; L238-F242 WeakPolarHBondContact O-CE2 3.27Å
239I93.4Very high89.8Confident99 Ų9948.3 Ų48.351%0.50826%0.264SS..Hα-helixtrans-76.8-46177.4-64.6168.2000110.1V235 P236 I241 F242V235-I239 HydrophobicContact CG1-CD1 3.73Å; V235-I239 HydrophobicContact CG1-CG1 4.38Å; V235-I239 WeakPolarHBondContact O-CG1 3.47Å; V235-I239 PolarHBondContact O-N 3.2Å; P236-I239 PolarHBondContact O-N 3Å; I239-I241 VanDerWaalsContact C-N 3.3Å; I239-I241 PolarHBondContact O-N 3.46Å; I239-F242 PolarHBondContact O-N 3.17Å
240L92.3Very high87.8Confident30 Ų3049.9 Ų49.916%0.15727%0.271CS..Hα-helixtrans-71.2-22.7-172.6-66.4-176.2000113.3L16 I19 M20 P236 F242 C243 L244L16-L240 HydrophobicContact CD2-CB 4.46Å; L16-L240 HydrophobicContact CD2-CD1 4.33Å; L16-L240 HydrophobicContact CD2-CD2 3.69Å; L16-L240 HydrophobicContact CD2-CG 4.37Å; I19-L240 HydrophobicContact CB-CD1 3.79Å; I19-L240 HydrophobicContact CD1-CD1 4.46Å; I19-L240 HydrophobicContact CG2-CD1 3.49Å; I19-L240 VanDerWaalsContact CG2-CD1 3.49Å; M20-L240 HydrophobicContact CG-CB 3.59Å; M20-L240 HydrophobicContact CG-CD1 3.92Å; M20-L240 HydrophobicContact CG-CG 4.41Å; M20-L240 HydrophobicContact SD-CB 3.77Å; P236-L240 VanDerWaalsContact O-CB 3.27Å; P236-L240 WeakPolarHBondContact O-CB 3.49Å; P236-L240 WeakPolarHBondContact O-CG 3.41Å; P236-L240 PolarHBondContact O-N 3.41Å; L240-F242 PolarHBondContact O-N 2.85Å; L240-C243 CarbonylContact O-C 3.09Å; L240-C243 WeakPolarHBondContact O-CA 3.13Å; L240-C243 WeakPolarHBondContact O-CB 3.17Å; L240-C243 PolarHBondContact O-N 3.41Å; L240-L244 PolarHBondContact O-N 2.84Å
241I91.3Very high85.3Confident13 Ų1356.9 Ų56.97%0.06730%0.297CS..Hα-helixtrans-60.9-32.3173.2-161.4174.2000112.2M20 R110 F113 L117 S237 L238 I239 C243 L244M20-I241 HydrophobicContact CE-CB 3.9Å; M20-I241 HydrophobicContact CE-CG1 4.28Å; R110-I241 PolarHBondContact NE-O 2.93Å; F113-I241 HydrophobicContact CD1-CD1 3.89Å; F113-I241 HydrophobicContact CD1-CG1 4.32Å; L117-I241 HydrophobicContact CB-CD1 4.44Å; L117-I241 HydrophobicContact CD2-CB 4.11Å; L117-I241 HydrophobicContact CD2-CD1 3.85Å; L117-I241 HydrophobicContact CD2-CG2 4.1Å; S237-I241 PolarHBondContact O-N 3.19Å; S237-I241 VanDerWaalsContact O-N 3.11Å; L238-I241 VanDerWaalsContact O-CG2 3.26Å; L238-I241 WeakPolarHBondContact O-CG2 3.38Å; I239-I241 VanDerWaalsContact C-N 3.3Å; I239-I241 PolarHBondContact O-N 3.46Å; I241-C243 VanDerWaalsContact C-N 3.29Å; I241-C243 PolarHBondContact O-N 3.42Å; I241-L244 PolarHBondContact O-N 2.85Å
242F89.9Confident82.7Confident135 Ų13565 Ų6559%0.59232%0.324SS*.Hα-helixtrans-71.6-29.7176.1-64.9-78000112.2R110 L238 I239 L240R110-F242 PolarHBondContact NH1-O 3.45Å; R110-F242 PolarHBondContact NH2-O 3.08Å; L238-F242 HydrophobicContact CD1-CE2 4.5Å; L238-F242 WeakPolarHBondContact O-CD2 3.45Å; L238-F242 VanDerWaalsContact O-CE2 3.25Å; L238-F242 WeakPolarHBondContact O-CE2 3.27Å; I239-F242 PolarHBondContact O-N 3.17Å; L240-F242 PolarHBondContact O-N 2.85Å
243C89.8Confident79.9Confident59 Ų5971.1 Ų71.140%0.39934%0.339SS..Hα-helixtrans-81.8-16.6175.9-66.30000113.5L16 L240 I241 P245L16-C243 HydrophobicContact CD1-CB 4.46Å; L16-C243 HydrophobicContact CD2-CB 4.44Å; L240-C243 CarbonylContact O-C 3.09Å; L240-C243 WeakPolarHBondContact O-CA 3.13Å; L240-C243 WeakPolarHBondContact O-CB 3.17Å; L240-C243 PolarHBondContact O-N 3.41Å; I241-C243 VanDerWaalsContact C-N 3.29Å; I241-C243 PolarHBondContact O-N 3.42Å; C243-P245 WeakPolarHBondContact O-CD 3.25Å
244L88.4Confident77.1Confident3 Ų374.9 Ų74.92%0.01636%0.359CS..PPolyproline II helixtrans-70.9118.8-179.9-167.370.1000109.4V13 L16 R110 I164 L240 I241V13-L244 HydrophobicContact CG1-CD1 4.36Å; L16-L244 HydrophobicContact CB-CD1 4.39Å; R110-L244 WeakPolarHBondContact CD-O 3.35Å; R110-L244 PolarHBondContact NH1-O 2.89Å; R110-L244 VanDerWaalsContact NH1-O 3.15Å; I164-L244 HydrophobicContact CD1-CD2 4.27Å; L240-L244 PolarHBondContact O-N 2.84Å; I241-L244 PolarHBondContact O-N 2.85Å
245P85.7Confident74.3Confident44 Ų4480.8 Ų80.829%0.28639%0.387SS..PPolyproline II helixtrans-74149.5175.831.3-33.8000110.5L9 V13 C243 T247L9-P245 HydrophobicContact CD1-CG 4.19Å; V13-P245 HydrophobicContact CG2-CG 3.38Å; C243-P245 WeakPolarHBondContact O-CD 3.25Å; P245-T247 PolarHBondContact O-N 2.8Å
246E85.6Confident71.4Confident56 Ų5680.7 Ų80.726%0.26240%0.395SS..PPolyproline II helixtrans-68.1125.7173.7-176.751.7-110.600110.1G108 R109 R110 H248G108-E246 WeakPolarHBondContact CA-OE2 3.29Å; R109-E246 VanDerWaalsContact N-CD 3.33Å; R109-E246 PolarHBondContact N-OE1 3.38Å; R109-E246 PolarHBondContact N-OE2 2.94Å; R109-E246 VanDerWaalsContact N-OE2 3.16Å; R110-E246 WeakPolarHBondContact CB-OE2 2.89Å; R110-E246 PolarHBondContact N-OE2 2.88Å; E246-H248 WeakPolarHBondContact OE1-CB 2.82Å; E246-H248 PolarHBondContact OE1-N 2.67Å
247T83.3Confident68.3Low28 Ų2884.6 Ų84.617%0.17242%0.417CS..  trans-96.7-19.8-177.656.80000112.9V13 R109 I164 D167 V168 P245V13-T247 HydrophobicContact CG1-CG2 4.44Å; R109-T247 VanDerWaalsContact CG-OG1 3.23Å; R109-T247 WeakPolarHBondContact CG-OG1 3.48Å; I164-T247 HydrophobicContact CG2-CG2 4.19Å; D167-T247 PolarHBondContact OD2-OG1 3.49Å; D167-T247 VanDerWaalsContact OD2-OG1 3.08Å; V168-T247 HydrophobicContact CG2-CG2 4.16Å; P245-T247 PolarHBondContact O-N 2.8Å
248H78.2Confident65.5Low19 Ų1988.9 Ų88.99%0.08845%0.445CS..  trans-80.3125.5-178-168.5-126.8000112.5D105 R109 E246 N250D105-H248 PolarHBondContact O-CE1 3.18Å; D105-H248 PolarHBondContact O-ND1 2.7Å; R109-H248 HydrophobicContact CG-CB 4.19Å; E246-H248 WeakPolarHBondContact OE1-CB 2.82Å; E246-H248 PolarHBondContact OE1-N 2.67Å; H248-N250 PolarHBondContact O-N 3.42Å
249K62.7Low62.5Low144 Ų14492.2 Ų92.263%0.62646%0.464SS*.THydrogen-bonded Turntrans-65.6-32.1-172-169.3177.3179-178.40114.1R251 R252K249-R251 PolarHBondContact O-N 2.65Å; K249-R251 VanDerWaalsContact O-N 3.08Å; K249-R252 PolarHBondContact O-N 2.82Å; K249-R252 VanDerWaalsContact O-N 3.09Å
250N52.9Low59.3Low81 Ų8196.9 Ų96.943%0.43348%0.48SS..Hα-helixtrans-63.2-20.6-169.6-93.5-6.7000114.5H248 R252 K253 I254H248-N250 PolarHBondContact O-N 3.42Å; N250-R252 VanDerWaalsContact C-N 3.28Å; N250-R252 PolarHBondContact O-N 3.04Å; N250-K253 PolarHBondContact O-N 3.16Å; N250-I254 PolarHBondContact O-N 3.25Å
251R41.5Very low56.2Low147 Ų147104.3 Ų104.356%0.55551%0.514SS*.Hα-helixtrans-65.1-31.2176-161.3174.5-175.2-130-1.1113K249 K253 I254 M255K249-R251 PolarHBondContact O-N 2.65Å; K249-R251 VanDerWaalsContact O-N 3.08Å; R251-K253 VanDerWaalsContact C-N 3.29Å; R251-K253 PolarHBondContact O-N 3.47Å; R251-I254 PolarHBondContact O-N 3.25Å; R251-M255 PolarHBondContact O-N 2.71Å
252R41Very low53.5Low224 Ų224109.1 Ų109.185%0.84555%0.546SS*.Hα-helixtrans-66.2-29.3176.6-91.5-173.8177.5174.5-1.2112.9K249 N250K249-R252 PolarHBondContact O-N 2.82Å; K249-R252 VanDerWaalsContact O-N 3.09Å; N250-R252 VanDerWaalsContact C-N 3.28Å; N250-R252 PolarHBondContact O-N 3.04Å
253K36.4Very low50.8Low167 Ų167110.2 Ų110.273%0.72656%0.556SS**Hα-helixtrans-76.6-38.5175.6-97.9-172.6174.2-172.70112.1N250 R251 M255 A256N250-K253 PolarHBondContact O-N 3.16Å; R251-K253 VanDerWaalsContact C-N 3.29Å; R251-K253 PolarHBondContact O-N 3.47Å; K253-M255 PolarHBondContact O-N 3.03Å; K253-A256 PolarHBondContact O-N 3.17Å
254I37.9Very low48Very low123 Ų123114.7 Ų114.763%0.63158%0.577SS**Hα-helixtrans-68.7-35.5-178.5-61.7171.8000111.6N250 R251 A256N250-I254 PolarHBondContact O-N 3.25Å; R251-I254 PolarHBondContact O-N 3.25Å; I254-A256 VanDerWaalsContact C-N 3.3Å; I254-A256 PolarHBondContact O-N 2.89Å
255M36.1Very low45.1Very low130 Ų130123 Ų12364%0.6462%0.615SS**THydrogen-bonded Turntrans-78.5-11176.6-65.5-173.974.100114.1R251 K253 V257R251-M255 PolarHBondContact O-N 2.71Å; K253-M255 PolarHBondContact O-N 3.03Å; M255-V257 PolarHBondContact O-N 3.18Å
256A32.5Very low42.5Very low73 Ų73129.8 Ų129.860%0.60364%0.643SS**THydrogen-bonded Turntrans-85.611.6178.200000113.2K253 I254 P258K253-A256 PolarHBondContact O-N 3.17Å; I254-A256 VanDerWaalsContact C-N 3.3Å; I254-A256 PolarHBondContact O-N 2.89Å; A256-P258 VanDerWaalsContact C-CD 3.4Å
257V29.7Very low39.7Very low125 Ų125135.3 Ų135.376%0.75867%0.666SS**  trans-115.382.6166.5-170.50000109.6M255M255-V257 PolarHBondContact O-N 3.18Å
258P34.8Very low37.3Very low91 Ų91141.5 Ų141.559%0.59170%0.698SS**  trans-100.8145.2150.627.8-15000110.4A256A256-P258 VanDerWaalsContact C-CD 3.4Å
259D28.5Very low35.1Very low146 Ų146147.8 Ų147.878%0.78173%0.733SS**  trans77.391.6162.6-63.9-18.6000118.5
260K27.7Very low33.7Very low197 Ų197148.1 Ų148.186%0.85774%0.741SS**  155.292.3110.2-83.7169.6-176.2-177.50110.5
261Q26.7Very low33.2Very low185 Ų185149.1 Ų149.186%0.86475%0.752SS**  trans-131.6116.5143.6-75.9-169.1-30.500106.7I263Q261-I263 PolarHBondContact O-N 3.46Å
262P33.6Very low32.9Very low115 Ų115149.9 Ų149.975%0.74777%0.767SS**  trans-61.7132174.1-12.726.8000108.7D264P262-D264 PolarHBondContact O-N 3.35Å
263I32.9Very low32.7Very low157 Ų157144.4 Ų144.481%0.80576%0.755SS**  trans-71.7104.1171-64.4162.2000105.6Q261 E265Q261-I263 PolarHBondContact O-N 3.46Å; I263-E265 PolarHBondContact O-N 2.95Å
264D31.5Very low33.1Very low154 Ų154142.4 Ų142.482%0.82475%0.752SS**  trans-75.3113.6161.4-73.7-33.9000107.2P262 E266P262-D264 PolarHBondContact O-N 3.35Å; D264-E266 PolarHBondContact O-N 3.18Å
265E28.2Very low33.3Very low176 Ų176142.7 Ų142.782%0.82276%0.759SS**  trans-62.6111.6175.2-65.5177.1151.900109.9I263I263-E265 PolarHBondContact O-N 2.95Å
266E31.2Very low33.4Very low188 Ų188145.7 Ų145.788%0.87976%0.764SS**  trans-124.495.4157.9-136.3173.2-165.400108.9D264D264-E266 PolarHBondContact O-N 3.18Å
267K27.4Very low33.9Very low172 Ų172144.4 Ų144.475%0.74875%0.751SS**  trans-59.8126.4168.1-75.8173.1173.1173.20109.3
268N32.9Very low34.6Very low158 Ų158144 Ų14485%0.84574%0.743SS**  trans-145.993.5145.9-84.2-43.3000107.4D270N268-D270 PolarHBondContact O-N 3.45Å
269D30.9Very low35Very low151 Ų151146 Ų14681%0.80774%0.744SS**  trans-68.1115.8169-71.2-49.5000108.8
270D33Very low35.5Very low151 Ų151144.2 Ų144.281%0.80773%0.733SS**  trans-128.399.4158.8-155.3-4.5000108.9N268 N272N268-D270 PolarHBondContact O-N 3.45Å; D270-N272 PolarHBondContact O-N 2.94Å
271P42Very low36.3Very low102 Ų102141.3 Ų141.366%0.66272%0.722SS**THydrogen-bonded Turntrans-91.387.7-172.233.9-28.9000109.4
272N37.1Very low37.2Very low162 Ų162138.4 Ų138.487%0.86671%0.707SS**THydrogen-bonded Turntrans-16812.2153.8-107.4-19.8000118.9D270D270-N272 PolarHBondContact O-N 2.94Å
273D36.2Very low38.1Very low110 Ų110138.5 Ų138.559%0.58870%0.697SS**  trans-119.411-176.1-150.419.1000116.4T275 R276 S277D273-T275 VanDerWaalsContact C-N 3.28Å; D273-T275 PolarHBondContact O-N 3.3Å; D273-T275 VanDerWaalsContact O-N 3.16Å; D273-R276 PolarHBondContact O-N 3.26Å; D273-S277 PolarHBondContact O-N 2.85Å; D273-S277 PolarHBondContact O-OG 2.88Å
274D43.7Very low39Very low124 Ų124137.9 Ų137.966%0.66369%0.689SS**Hα-helixtrans-69.3-17.6-170.5-76.6-19.4000115.4S277 I278D274-S277 PolarHBondContact O-OG 3.02Å; D274-I278 VanDerWaalsContact O-CD1 3.27Å; D274-I278 WeakPolarHBondContact O-CD1 3.49Å; D274-I278 WeakPolarHBondContact O-CG1 3.14Å
275T42.1Very low40.4Very low129 Ų129132.9 Ų132.979%0.79166%0.664SS**Hα-helixtrans-88.9-25.8-179-37.30000112.8D273D273-T275 VanDerWaalsContact C-N 3.28Å; D273-T275 PolarHBondContact O-N 3.3Å; D273-T275 VanDerWaalsContact O-N 3.16Å
276R38.3Very low41.9Very low193 Ų193127.5 Ų127.573%0.72864%0.64SS**Hα-helixtrans-90.3-30.2179-87-177.9173.2173-0.5113.1D273 M280D273-R276 PolarHBondContact O-N 3.26Å; R276-M280 PolarHBondContact O-N 3.48Å
277S44Very low43.5Very low47 Ų47122.7 Ų122.733%0.32962%0.624SS.*Hα-helixtrans-63.8-43.2178.559.90000112.6D273 D274 Q279 M280 E281D273-S277 PolarHBondContact O-N 2.85Å; D273-S277 PolarHBondContact O-OG 2.88Å; D274-S277 PolarHBondContact O-OG 3.02Å; S277-Q279 PolarHBondContact O-N 2.98Å; S277-M280 PolarHBondContact O-N 3.33Å; S277-E281 PolarHBondContact O-N 3.49Å
278I44.7Very low45.5Very low115 Ų115116.9 Ų116.959%0.5961%0.605SS**Hα-helixtrans-62.4-41.7-177.3-62.7172.9000112D274 F282D274-I278 VanDerWaalsContact O-CD1 3.27Å; D274-I278 WeakPolarHBondContact O-CD1 3.49Å; D274-I278 WeakPolarHBondContact O-CG1 3.14Å; I278-F282 WeakPolarHBondContact O-CB 3.42Å; I278-F282 PolarHBondContact O-N 3.34Å
279Q42Very low47.1Very low133 Ų133112.7 Ų112.762%0.62158%0.577SS**Hα-helixtrans-70.7-38.4-177.8-160.7170.4-7.500111.3S277 F282 E283S277-Q279 PolarHBondContact O-N 2.98Å; Q279-F282 PolarHBondContact O-N 3.38Å; Q279-E283 PolarHBondContact O-N 3.26Å; Q279-E283 VanDerWaalsContact O-N 3.07Å
280M38.5Very low48.8Very low110 Ų110107.3 Ų107.354%0.54255%0.55SS..Hα-helixtrans-72.8-35.2178.5-128-179.9-78.800112.5R276 S277 K284R276-M280 PolarHBondContact O-N 3.48Å; S277-M280 PolarHBondContact O-N 3.33Å; M280-K284 WeakPolarHBondContact O-CB 3.47Å; M280-K284 WeakPolarHBondContact O-CG 3.2Å; M280-K284 PolarHBondContact O-N 3.19Å
281E46Very low50.7Low135 Ų135103.6 Ų103.663%0.63153%0.533SS*.Hα-helixtrans-66.2-41171.5-83.3-164.7150.400111.9S277 T285S277-E281 PolarHBondContact O-N 3.49Å; E281-T285 VanDerWaalsContact O-CB 3.26Å; E281-T285 WeakPolarHBondContact O-CB 3.24Å; E281-T285 VanDerWaalsContact O-CG2 3.25Å; E281-T285 WeakPolarHBondContact O-CG2 3.47Å; E281-T285 PolarHBondContact O-N 3.34Å; E281-T285 PolarHBondContact O-OG1 2.83Å
282F45.6Very low52Low124 Ų124102.4 Ų102.454%0.54452%0.518SS..Hα-helixtrans-65.4-42.2178.2-169.1-98000111.9I278 Q279 T285 L286I278-F282 WeakPolarHBondContact O-CB 3.42Å; I278-F282 PolarHBondContact O-N 3.34Å; Q279-F282 PolarHBondContact O-N 3.38Å; F282-T285 WeakPolarHBondContact CA-OG1 3.45Å; F282-T285 PolarHBondContact O-N 3.45Å; F282-T285 PolarHBondContact O-OG1 3.16Å; F282-L286 HydrophobicContact CE1-CD2 4.41Å; F282-L286 VanDerWaalsContact O-CB 3.25Å; F282-L286 WeakPolarHBondContact O-CB 3.39Å; F282-L286 PolarHBondContact O-N 2.96Å
283E51.5Low53.3Low117 Ų11794.9 Ų94.955%0.54748%0.478SS..Hα-helixtrans-67-45176.2-75.7-172.8169.700112.6Q279 T285 L286 T287Q279-E283 PolarHBondContact O-N 3.26Å; Q279-E283 VanDerWaalsContact O-N 3.07Å; E283-T285 VanDerWaalsContact C-N 3.31Å; E283-T285 PolarHBondContact O-N 2.62Å; E283-L286 PolarHBondContact O-N 3.35Å; E283-T287 WeakPolarHBondContact O-CB 3.43Å; E283-T287 WeakPolarHBondContact O-CG2 3.34Å; E283-T287 PolarHBondContact O-N 3.12Å; E283-T287 PolarHBondContact O-OG1 3.35Å
284K51.7Low54.9Low145 Ų14595 Ų9563%0.6347%0.474SS*.Hα-helixtrans-62.8-38.9175.7-75.8-179.1-179.21760111.7M280 T287 S288M280-K284 WeakPolarHBondContact O-CB 3.47Å; M280-K284 WeakPolarHBondContact O-CG 3.2Å; M280-K284 PolarHBondContact O-N 3.19Å; K284-T287 WeakPolarHBondContact CA-OG1 3.25Å; K284-T287 PolarHBondContact O-OG1 2.84Å; K284-T287 VanDerWaalsContact O-OG1 3.05Å; K284-S288 WeakPolarHBondContact O-CB 3.48Å; K284-S288 PolarHBondContact O-N 3.3Å; K284-S288 PolarHBondContact O-OG 2.84Å
285T61.8Low56.3Low48 Ų4894.8 Ų94.829%0.29447%0.469SS..Hα-helixtrans-73.8-33.3176.952.60000112.6E281 F282 E283 S288 R289E281-T285 VanDerWaalsContact O-CB 3.26Å; E281-T285 WeakPolarHBondContact O-CB 3.24Å; E281-T285 VanDerWaalsContact O-CG2 3.25Å; E281-T285 WeakPolarHBondContact O-CG2 3.47Å; E281-T285 PolarHBondContact O-N 3.34Å; E281-T285 PolarHBondContact O-OG1 2.83Å; F282-T285 WeakPolarHBondContact CA-OG1 3.45Å; F282-T285 PolarHBondContact O-N 3.45Å; F282-T285 PolarHBondContact O-OG1 3.16Å; E283-T285 VanDerWaalsContact C-N 3.31Å; E283-T285 PolarHBondContact O-N 2.62Å; T285-S288 PolarHBondContact O-OG 2.92Å; T285-S288 VanDerWaalsContact O-OG 3.06Å; T285-R289 VanDerWaalsContact O-CB 3.25Å; T285-R289 WeakPolarHBondContact O-CB 3.48Å; T285-R289 WeakPolarHBondContact O-CD 3.36Å; T285-R289 WeakPolarHBondContact O-CG 3.45Å; T285-R289 PolarHBondContact O-N 3.35Å
286L58.6Low57.6Low64 Ų6493.5 Ų93.534%0.33545%0.45SS..Hα-helixtrans-71.4-46.2176.4-170.668.6000110.7L99 F282 E283 S288 R289 V290L99-L286 HydrophobicContact CD1-CD1 3.94Å; L99-L286 HydrophobicContact CD2-CD1 4.22Å; F282-L286 HydrophobicContact CE1-CD2 4.41Å; F282-L286 VanDerWaalsContact O-CB 3.25Å; F282-L286 WeakPolarHBondContact O-CB 3.39Å; F282-L286 PolarHBondContact O-N 2.96Å; E283-L286 PolarHBondContact O-N 3.35Å; L286-S288 PolarHBondContact O-N 3.3Å; L286-R289 PolarHBondContact O-N 3.12Å; L286-V290 HydrophobicContact CG-CG2 4.47Å; L286-V290 WeakPolarHBondContact O-CB 3.26Å; L286-V290 VanDerWaalsContact O-CG2 3.25Å; L286-V290 WeakPolarHBondContact O-CG2 3.41Å; L286-V290 PolarHBondContact O-N 2.98Å
287T66.4Low59.1Low86 Ų8687 Ų8753%0.52843%0.431SS..Hα-helixtrans-62.3-41.7177.852.10000111.7E283 K284 V290 T291E283-T287 WeakPolarHBondContact O-CB 3.43Å; E283-T287 WeakPolarHBondContact O-CG2 3.34Å; E283-T287 PolarHBondContact O-N 3.12Å; E283-T287 PolarHBondContact O-OG1 3.35Å; K284-T287 WeakPolarHBondContact CA-OG1 3.25Å; K284-T287 PolarHBondContact O-OG1 2.84Å; K284-T287 VanDerWaalsContact O-OG1 3.05Å; T287-V290 PolarHBondContact O-N 2.92Å; T287-T291 WeakPolarHBondContact O-CB 3.44Å; T287-T291 PolarHBondContact O-N 3.42Å; T287-T291 PolarHBondContact O-OG1 3.01Å
288S67.6Low60.4Low50 Ų5093.8 Ų93.835%0.3546%0.455SS..Hα-helixtrans-64-44.3174.571.30000111.8K284 T285 L286 V290 T291 E292K284-S288 WeakPolarHBondContact O-CB 3.48Å; K284-S288 PolarHBondContact O-N 3.3Å; K284-S288 PolarHBondContact O-OG 2.84Å; T285-S288 PolarHBondContact O-OG 2.92Å; T285-S288 VanDerWaalsContact O-OG 3.06Å; L286-S288 PolarHBondContact O-N 3.3Å; S288-V290 PolarHBondContact O-N 3.47Å; S288-T291 PolarHBondContact O-N 3.38Å; S288-E292 WeakPolarHBondContact O-CG 3.4Å; S288-E292 PolarHBondContact O-N 3.13Å
289R67.4Low62Low70 Ų7092.9 Ų92.926%0.26446%0.455SS..Hα-helixtrans-63-41.4177.8-74167.4-164.1-173.78.5112.8T285 L286 T291 A293T285-R289 VanDerWaalsContact O-CB 3.25Å; T285-R289 WeakPolarHBondContact O-CB 3.48Å; T285-R289 WeakPolarHBondContact O-CD 3.36Å; T285-R289 WeakPolarHBondContact O-CG 3.45Å; T285-R289 PolarHBondContact O-N 3.35Å; L286-R289 PolarHBondContact O-N 3.12Å; R289-T291 VanDerWaalsContact C-N 3.35Å; R289-A293 WeakPolarHBondContact O-CB 3.27Å; R289-A293 PolarHBondContact O-N 3.16Å
290V66.9Low63.9Low39 Ų3988.2 Ų88.224%0.23643%0.434CS..Hα-helixtrans-63.9-45.4174.7171.60000109.4L99 L286 T287 S288 E292 A293 F294L99-V290 HydrophobicContact CD2-CG2 3.99Å; L286-V290 HydrophobicContact CG-CG2 4.47Å; L286-V290 WeakPolarHBondContact O-CB 3.26Å; L286-V290 VanDerWaalsContact O-CG2 3.25Å; L286-V290 WeakPolarHBondContact O-CG2 3.41Å; L286-V290 PolarHBondContact O-N 2.98Å; T287-V290 PolarHBondContact O-N 2.92Å; S288-V290 PolarHBondContact O-N 3.47Å; V290-E292 PolarHBondContact O-N 2.81Å; V290-A293 WeakPolarHBondContact O-CB 3.42Å; V290-A293 PolarHBondContact O-N 3.49Å; V290-F294 HydrophobicContact CG1-CD2 3.63Å; V290-F294 HydrophobicContact CG1-CE2 3.65Å; V290-F294 VanDerWaalsContact O-CD2 3.26Å; V290-F294 WeakPolarHBondContact O-CD2 3.45Å; V290-F294 PolarHBondContact O-N 2.85Å
291T72.5Confident66.1Low73 Ų7385.9 Ų85.945%0.44842%0.424SS..Hα-helixtrans-62.4-43.8179.3-55.40000112T287 S288 R289 A293 F294 Q295T287-T291 WeakPolarHBondContact O-CB 3.44Å; T287-T291 PolarHBondContact O-N 3.42Å; T287-T291 PolarHBondContact O-OG1 3.01Å; S288-T291 PolarHBondContact O-N 3.38Å; R289-T291 VanDerWaalsContact C-N 3.35Å; T291-A293 VanDerWaalsContact C-N 3.35Å; T291-A293 PolarHBondContact O-N 3.48Å; T291-F294 PolarHBondContact O-N 2.7Å; T291-Q295 HydrophobicContact CG2-CG 4.47Å; T291-Q295 WeakPolarHBondContact O-CB 3.5Å; T291-Q295 WeakPolarHBondContact O-CG 3.45Å; T291-Q295 PolarHBondContact O-N 3.4Å
292E69.7Low68.1Low76 Ų7682.7 Ų82.736%0.35542%0.415SS..Hα-helixtrans-59.9-43.9173.6-77.3177.1-161.400111.7S288 V290 F294 Q295 R296S288-E292 WeakPolarHBondContact O-CG 3.4Å; S288-E292 PolarHBondContact O-N 3.13Å; V290-E292 PolarHBondContact O-N 2.81Å; E292-F294 VanDerWaalsContact C-N 3.34Å; E292-F294 PolarHBondContact O-N 3.11Å; E292-Q295 PolarHBondContact O-N 3.24Å; E292-R296 WeakPolarHBondContact O-CG 3.42Å; E292-R296 PolarHBondContact O-N 2.85Å
293A65Low70.3Confident4 Ų477.1 Ų77.13%0.03339%0.391CS..Hα-helixtrans-60.4-44.6176.500000111.2R289 V290 T291 R296 V297 F461R289-A293 WeakPolarHBondContact O-CB 3.27Å; R289-A293 PolarHBondContact O-N 3.16Å; V290-A293 WeakPolarHBondContact O-CB 3.42Å; V290-A293 PolarHBondContact O-N 3.49Å; T291-A293 VanDerWaalsContact C-N 3.35Å; T291-A293 PolarHBondContact O-N 3.48Å; A293-R296 PolarHBondContact O-N 3.5Å; A293-V297 VanDerWaalsContact O-CG2 3.31Å; A293-V297 WeakPolarHBondContact O-CG2 3.43Å; A293-V297 PolarHBondContact O-N 3.27Å; A293-F461 HydrophobicContact CB-CE2 3.95Å; A293-F461 HydrophobicContact CB-CZ 4.04Å
294F69.7Low72.3Confident114 Ų11471.8 Ų71.850%0.537%0.366SS..Hα-helixtrans-67.8-37.3176.6-87.1-77.8000113.3V290 T291 E292 R296 V297 K298V290-F294 HydrophobicContact CG1-CD2 3.63Å; V290-F294 HydrophobicContact CG1-CE2 3.65Å; V290-F294 VanDerWaalsContact O-CD2 3.26Å; V290-F294 WeakPolarHBondContact O-CD2 3.45Å; V290-F294 PolarHBondContact O-N 2.85Å; T291-F294 PolarHBondContact O-N 2.7Å; E292-F294 VanDerWaalsContact C-N 3.34Å; E292-F294 PolarHBondContact O-N 3.11Å; F294-R296 VanDerWaalsContact C-N 3.34Å; F294-V297 WeakPolarHBondContact O-CB 3.45Å; F294-V297 PolarHBondContact O-N 3.5Å; F294-K298 PolarHBondContact O-N 3Å
295Q72.4Confident74.2Confident118 Ų11867.9 Ų67.955%0.55135%0.354SS*.Hα-helixtrans-62.7-42175-78.9176.4-10.700111.2T291 E292 V297 K298 T299T291-Q295 HydrophobicContact CG2-CG 4.47Å; T291-Q295 WeakPolarHBondContact O-CB 3.5Å; T291-Q295 WeakPolarHBondContact O-CG 3.45Å; T291-Q295 PolarHBondContact O-N 3.4Å; E292-Q295 PolarHBondContact O-N 3.24Å; Q295-V297 PolarHBondContact O-N 3.02Å; Q295-K298 WeakPolarHBondContact O-CB 3.39Å; Q295-K298 PolarHBondContact O-N 3.06Å; Q295-T299 PolarHBondContact O-N 2.66Å
296R68.7Low75.8Confident102 Ų10267 Ų6739%0.38535%0.348SS..Hα-helixtrans-62-28.8174.8-73.2-179.7-178.81792.5113.5E292 A293 F294 K298 T299 F461E292-R296 WeakPolarHBondContact O-CG 3.42Å; E292-R296 PolarHBondContact O-N 2.85Å; A293-R296 PolarHBondContact O-N 3.5Å; F294-R296 VanDerWaalsContact C-N 3.34Å; R296-K298 VanDerWaalsContact C-N 3.32Å; R296-T299 PolarHBondContact O-OG1 3.48Å; R296-F461 HydrophobicContact CB-CE1 3.72Å; R296-F461 HydrophobicContact CB-CZ 4.22Å; R296-F461 HydrophobicContact CG-CE1 4.46Å
297V71.2Confident77.6Confident56 Ų5664 Ų6434%0.33933%0.332SS..Hα-helixtrans-69.3-32.8174.1-178.90000111.3A293 F294 Q295 T299 L300 I465A293-V297 VanDerWaalsContact O-CG2 3.31Å; A293-V297 WeakPolarHBondContact O-CG2 3.43Å; A293-V297 PolarHBondContact O-N 3.27Å; F294-V297 WeakPolarHBondContact O-CB 3.45Å; F294-V297 PolarHBondContact O-N 3.5Å; Q295-V297 PolarHBondContact O-N 3.02Å; V297-T299 VanDerWaalsContact C-N 3.33Å; V297-T299 PolarHBondContact O-N 2.93Å; V297-L300 HydrophobicContact CG1-CD1 4.13Å; V297-L300 WeakPolarHBondContact O-CD1 3.35Å; V297-L300 VanDerWaalsContact O-CG 3.31Å; V297-L300 WeakPolarHBondContact O-CG 3.41Å; V297-I465 HydrophobicContact CG2-CD1 3.87Å
298K71.4Confident79Confident190 Ų19060.5 Ų60.583%0.82631%0.31SS*.Hα-helixtrans-72.6-25.2179.3-73.1-174.1175.2-177.70113.5F294 Q295 R296F294-K298 PolarHBondContact O-N 3Å; Q295-K298 WeakPolarHBondContact O-CB 3.39Å; Q295-K298 PolarHBondContact O-N 3.06Å; R296-K298 VanDerWaalsContact C-N 3.32Å
299T76.7Confident80.3Confident96 Ų9660.3 Ų60.359%0.58931%0.308SS*.THydrogen-bonded Turntrans-99.122.7-176.759.90000112.9Q295 R296 V297Q295-T299 PolarHBondContact O-N 2.66Å; R296-T299 PolarHBondContact O-OG1 3.48Å; V297-T299 VanDerWaalsContact C-N 3.33Å; V297-T299 PolarHBondContact O-N 2.93Å
300L82.1Confident81.7Confident35 Ų3557 Ų5718%0.18330%0.296CS..  trans-72.5142.5-178.4-71.1172.7000112V297 V304 L308 M462V297-L300 HydrophobicContact CG1-CD1 4.13Å; V297-L300 WeakPolarHBondContact O-CD1 3.35Å; V297-L300 VanDerWaalsContact O-CG 3.31Å; V297-L300 WeakPolarHBondContact O-CG 3.41Å; L300-V304 HydrophobicContact CD2-CG1 4.2Å; L300-L308 HydrophobicContact CD1-CD1 3.72Å; L300-M462 HydrophobicContact CD2-CE 4.02Å; L300-M462 HydrophobicContact CD2-SD 3.82Å
301D85Confident83.1Confident62 Ų6255.9 Ų55.933%0.33229%0.289SS..  trans-55.9143.1172.1-74.6-51.1000111.4V303 V304 T305D301-V303 PolarHBondContact O-N 3.44Å; D301-V304 HydrophobicContact CB-CB 4.36Å; D301-V304 HydrophobicContact CB-CG2 4.11Å; D301-V304 PolarHBondContact O-N 2.86Å; D301-V304 VanDerWaalsContact O-N 3.1Å; D301-T305 PolarHBondContact O-N 2.87Å; D301-T305 PolarHBondContact O-OG1 3.27Å
302P88.9Confident84.2Confident68 Ų6855 Ų5544%0.44228%0.281SS..Hα-helixtrans-49.6-41.8174.5-3032.1000113.9T305 M306 V517P302-T305 PolarHBondContact O-N 3.15Å; P302-M306 WeakPolarHBondContact O-CG 3.41Å; P302-M306 PolarHBondContact O-N 3.43Å; P302-V517 HydrophobicContact CB-CG1 4.08Å
303V91.3Very high85.5Confident6 Ų653.1 Ų53.14%0.03627%0.274CS..Hα-helixtrans-65.7-45.3179.3168.90000111.5D301 T305 M306 I307 L514 V517 M518D301-V303 PolarHBondContact O-N 3.44Å; V303-T305 VanDerWaalsContact C-N 3.31Å; V303-T305 PolarHBondContact O-N 3.28Å; V303-M306 PolarHBondContact O-N 2.87Å; V303-I307 HydrophobicContact CG1-CD1 4.03Å; V303-I307 WeakPolarHBondContact O-CG1 3.31Å; V303-I307 PolarHBondContact O-N 3.41Å; V303-L514 HydrophobicContact CB-CD1 4.47Å; V303-L514 HydrophobicContact CG1-CD1 4.05Å; V303-L514 HydrophobicContact CG2-CD1 4.47Å; V303-V517 HydrophobicContact CG2-CG1 4.16Å; V303-M518 HydrophobicContact CG1-CG 4.27Å; V303-M518 HydrophobicContact CG2-CG 3.63Å
304V92.6Very high86.9Confident5 Ų553.3 Ų53.33%0.0328%0.276CS..Hα-helixtrans-64.4-40.3177.4177.60000110.3L300 D301 M306 I307 L308 L450 I454 M462L300-V304 HydrophobicContact CD2-CG1 4.2Å; D301-V304 HydrophobicContact CB-CB 4.36Å; D301-V304 HydrophobicContact CB-CG2 4.11Å; D301-V304 PolarHBondContact O-N 2.86Å; D301-V304 VanDerWaalsContact O-N 3.1Å; V304-M306 PolarHBondContact O-N 3.42Å; V304-I307 PolarHBondContact O-N 3.39Å; V304-L308 HydrophobicContact CG1-CD1 4.05Å; V304-L308 HydrophobicContact CG1-CG 4.34Å; V304-L308 WeakPolarHBondContact O-CB 3.48Å; V304-L308 WeakPolarHBondContact O-CG 2.98Å; V304-L308 PolarHBondContact O-N 2.94Å; V304-L450 HydrophobicContact CG1-CD1 4.08Å; V304-I454 HydrophobicContact CG1-CD1 4.45Å; V304-I454 HydrophobicContact CG2-CG1 4.19Å; V304-M462 HydrophobicContact CG1-SD 4.43Å
305T92.8Very high88Confident63 Ų6348.1 Ų48.139%0.38725%0.254SS..Hα-helixtrans-62.1-41.3176.4-55.70000111.9D301 P302 V303 L308 S309D301-T305 PolarHBondContact O-N 2.87Å; D301-T305 PolarHBondContact O-OG1 3.27Å; P302-T305 PolarHBondContact O-N 3.15Å; V303-T305 VanDerWaalsContact C-N 3.31Å; V303-T305 PolarHBondContact O-N 3.28Å; T305-L308 PolarHBondContact O-N 3.15Å; T305-S309 WeakPolarHBondContact O-CB 3.06Å; T305-S309 PolarHBondContact O-N 3.37Å; T305-S309 PolarHBondContact O-OG 3.31Å
306M95Very high89.1Confident31 Ų3143 Ų4315%0.15323%0.231CC..Hα-helixtrans-63.3-45.5173.7-72.8178.172.600111.9P302 V303 V304 L308 S309 M310 I510 V513 L514 V517P302-M306 WeakPolarHBondContact O-CG 3.41Å; P302-M306 PolarHBondContact O-N 3.43Å; V303-M306 PolarHBondContact O-N 2.87Å; V304-M306 PolarHBondContact O-N 3.42Å; M306-L308 PolarHBondContact O-N 2.9Å; M306-S309 WeakPolarHBondContact O-CB 3.09Å; M306-S309 PolarHBondContact O-N 3.2Å; M306-S309 VanDerWaalsContact O-N 3.17Å; M306-M310 WeakPolarHBondContact O-CG 3.36Å; M306-M310 PolarHBondContact O-N 3.12Å; M306-I510 HydrophobicContact CB-CG2 4.05Å; M306-I510 HydrophobicContact CE-CG2 3.84Å; M306-I510 WeakPolarHBondContact CE-O 3.19Å; M306-I510 HydrophobicContact CG-CG2 4.41Å; M306-V513 HydrophobicContact CE-CB 4.11Å; M306-V513 HydrophobicContact CE-CG1 3.99Å; M306-L514 HydrophobicContact CB-CD1 3.74Å; M306-L514 HydrophobicContact CE-CB 4.15Å; M306-L514 HydrophobicContact CE-CD1 3.96Å; M306-L514 HydrophobicContact CG-CD1 4.41Å; M306-L514 HydrophobicContact SD-CD1 3.83Å; M306-V517 HydrophobicContact CE-CG2 4.33Å; M306-V517 HydrophobicContact SD-CB 4.01Å; M306-V517 HydrophobicContact SD-CG1 4.19Å; M306-V517 HydrophobicContact SD-CG2 3.68Å
307I95.9Very high90.1Very high0 Ų038.2 Ų38.20%021%0.213CC..Hα-helixtrans-62.7-43178-65.5167.5000110.9V303 V304 S309 M310 V311 I446 M449 L450 L514V303-I307 HydrophobicContact CG1-CD1 4.03Å; V303-I307 WeakPolarHBondContact O-CG1 3.31Å; V303-I307 PolarHBondContact O-N 3.41Å; V304-I307 PolarHBondContact O-N 3.39Å; I307-S309 VanDerWaalsContact C-N 3.31Å; I307-S309 PolarHBondContact O-N 3.11Å; I307-M310 CarbonylContact O-C 3.59Å; I307-M310 WeakPolarHBondContact O-CA 2.98Å; I307-M310 WeakPolarHBondContact O-CB 3.44Å; I307-M310 PolarHBondContact O-N 3.35Å; I307-M310 VanDerWaalsContact O-N 3.13Å; I307-V311 WeakPolarHBondContact O-CG2 3.39Å; I307-V311 PolarHBondContact O-N 2.98Å; I307-I446 HydrophobicContact CG2-CG2 3.97Å; I307-M449 HydrophobicContact CD1-CB 4.13Å; I307-L450 HydrophobicContact CG2-CB 3.92Å; I307-L450 HydrophobicContact CG2-CD1 4.07Å; I307-L514 HydrophobicContact CG1-CD1 4.46Å; I307-L514 HydrophobicContact CG1-CD2 4.15Å
308L95.8Very high90.6Very high12 Ų1235.6 Ų35.66%0.06320%0.197CC..Hα-helixtrans-64.8-35.2175.2-71.3174.1000112.2L300 V304 T305 M306 M310 V311 L312 L450 I465 A466 V469L300-L308 HydrophobicContact CD1-CD1 3.72Å; V304-L308 HydrophobicContact CG1-CD1 4.05Å; V304-L308 HydrophobicContact CG1-CG 4.34Å; V304-L308 WeakPolarHBondContact O-CB 3.48Å; V304-L308 WeakPolarHBondContact O-CG 2.98Å; V304-L308 PolarHBondContact O-N 2.94Å; T305-L308 PolarHBondContact O-N 3.15Å; M306-L308 PolarHBondContact O-N 2.9Å; L308-M310 VanDerWaalsContact C-N 3.3Å; L308-M310 PolarHBondContact O-N 3.44Å; L308-V311 WeakPolarHBondContact O-CB 3.25Å; L308-V311 PolarHBondContact O-N 2.91Å; L308-L312 PolarHBondContact O-N 2.97Å; L308-L450 HydrophobicContact CD2-CD1 4.44Å; L308-I465 HydrophobicContact CD1-CG2 3.7Å; L308-I465 HydrophobicContact CD2-CG2 3.96Å; L308-I465 HydrophobicContact CG-CG2 4.49Å; L308-A466 HydrophobicContact CD2-CB 4.04Å; L308-V469 WeakPolarHBondContact O-CG1 3.43Å
309S95.7Very high90.9Very high46 Ų4629.3 Ų29.332%0.32217%0.172SC..Hα-helixtrans-63.4-38.9172.1-57.20000111.2T305 M306 I307 L312 L313T305-S309 WeakPolarHBondContact O-CB 3.06Å; T305-S309 PolarHBondContact O-N 3.37Å; T305-S309 PolarHBondContact O-OG 3.31Å; M306-S309 WeakPolarHBondContact O-CB 3.09Å; M306-S309 PolarHBondContact O-N 3.2Å; M306-S309 VanDerWaalsContact O-N 3.17Å; I307-S309 VanDerWaalsContact C-N 3.31Å; I307-S309 PolarHBondContact O-N 3.11Å; S309-L312 WeakPolarHBondContact O-CB 3.41Å; S309-L312 PolarHBondContact O-N 2.87Å; S309-L313 VanDerWaalsContact O-CG 3.31Å; S309-L313 WeakPolarHBondContact O-CG 3.41Å; S309-L313 PolarHBondContact O-N 2.93Å
310M96.5Very high90.9Very high0 Ų025.1 Ų25.10%015%0.147CC..Hα-helixtrans-65.3-39.4172.2-63.3161.160.800112.1M306 I307 L308 L312 G314 F400 I446 M449 T507 I510 D511M306-M310 WeakPolarHBondContact O-CG 3.36Å; M306-M310 PolarHBondContact O-N 3.12Å; I307-M310 CarbonylContact O-C 3.59Å; I307-M310 WeakPolarHBondContact O-CA 2.98Å; I307-M310 WeakPolarHBondContact O-CB 3.44Å; I307-M310 PolarHBondContact O-N 3.35Å; I307-M310 VanDerWaalsContact O-N 3.13Å; L308-M310 VanDerWaalsContact C-N 3.3Å; L308-M310 PolarHBondContact O-N 3.44Å; M310-L312 VanDerWaalsContact C-N 3.32Å; M310-L312 PolarHBondContact O-N 3.43Å; M310-G314 WeakPolarHBondContact O-CA 3.34Å; M310-G314 PolarHBondContact O-N 2.99Å; M310-F400 HydrophobicContact CE-CD1 3.78Å; M310-F400 HydrophobicContact CE-CE1 3.5Å; M310-F400 HydrophobicContact CE-CG 4.49Å; M310-F400 HydrophobicContact CE-CZ 4.03Å; M310-I446 HydrophobicContact CB-CD1 4.4Å; M310-M449 HydrophobicContact CE-CE 4.34Å; M310-T507 HydrophobicContact CB-CG2 4.25Å; M310-T507 HydrophobicContact CG-CG2 4.29Å; M310-I510 HydrophobicContact CG-CB 4.24Å; M310-I510 HydrophobicContact CG-CG2 3.69Å; M310-I510 HydrophobicContact SD-CG2 4.06Å; M310-D511 HydrophobicContact CE-CB 3.8Å; M310-D511 WeakPolarHBondContact CE-OD1 3.39Å; M310-D511 HydrophobicContact SD-CB 4.34Å
311V96.1Very high90.9Very high16 Ų1623.5 Ų23.510%0.09714%0.139CC..Hα-helixtrans-57.6-46.7172.51750000110.3I307 L308 S315 I446 A466 V469I307-V311 WeakPolarHBondContact O-CG2 3.39Å; I307-V311 PolarHBondContact O-N 2.98Å; L308-V311 WeakPolarHBondContact O-CB 3.25Å; L308-V311 PolarHBondContact O-N 2.91Å; V311-S315 VanDerWaalsContact O-CB 3.25Å; V311-S315 WeakPolarHBondContact O-CB 3.32Å; V311-S315 PolarHBondContact O-N 3.4Å; V311-S315 PolarHBondContact O-OG 3.27Å; V311-I446 HydrophobicContact CG2-CG2 3.36Å; V311-A466 WeakPolarHBondContact CG1-O 3.25Å; V311-V469 HydrophobicContact CB-CG1 4.42Å; V311-V469 HydrophobicContact CG1-CG1 4.31Å
312L96.2Very high90.8Very high54 Ų5424.4 Ų24.428%0.28314%0.143SC..Hα-helixtrans-60.2-59.3179.6-177.261.4000110.8L308 S309 M310 G314 S315 V316 V469 I472L308-L312 PolarHBondContact O-N 2.97Å; S309-L312 WeakPolarHBondContact O-CB 3.41Å; S309-L312 PolarHBondContact O-N 2.87Å; M310-L312 VanDerWaalsContact C-N 3.32Å; M310-L312 PolarHBondContact O-N 3.43Å; L312-G314 VanDerWaalsContact C-N 3.34Å; L312-G314 PolarHBondContact O-N 3.35Å; L312-S315 WeakPolarHBondContact O-CB 3.39Å; L312-S315 PolarHBondContact O-N 3.39Å; L312-S315 VanDerWaalsContact O-N 3.11Å; L312-V316 WeakPolarHBondContact O-CG2 3.42Å; L312-V316 PolarHBondContact O-N 3.34Å; L312-V469 HydrophobicContact CB-CG1 3.49Å; L312-V469 VanDerWaalsContact CB-CG1 3.49Å; L312-V469 HydrophobicContact CD1-CG1 4.03Å; L312-V469 WeakPolarHBondContact CD1-O 3.26Å; L312-V469 HydrophobicContact CG-CG1 4.27Å; L312-I472 HydrophobicContact CD1-CB 4.22Å; L312-I472 HydrophobicContact CD1-CG2 3.99Å
313L96.6Very high90.6Very high37 Ų3725.4 Ų25.419%0.19414%0.142CC..Hα-helixtrans-63.1-41.7-175-63.2172.1000111.4S309 S315 V316 S317 I503 I506 T507 I510S309-L313 VanDerWaalsContact O-CG 3.31Å; S309-L313 WeakPolarHBondContact O-CG 3.41Å; S309-L313 PolarHBondContact O-N 2.93Å; L313-S315 VanDerWaalsContact C-N 3.31Å; L313-S315 PolarHBondContact O-N 3Å; L313-V316 PolarHBondContact O-N 3.19Å; L313-S317 PolarHBondContact O-N 3.49Å; L313-S317 PolarHBondContact O-OG 3.29Å; L313-S317 VanDerWaalsContact O-OG 3.05Å; L313-I503 HydrophobicContact CB-CG2 4.06Å; L313-I503 HydrophobicContact CD2-CG2 4.08Å; L313-I506 HydrophobicContact CD1-CB 4.5Å; L313-I506 HydrophobicContact CD1-CG2 3.82Å; L313-T507 WeakPolarHBondContact CB-OG1 3.44Å; L313-I510 HydrophobicContact CD1-CD1 3.6Å
314G94.2Very high90.5Very high9 Ų925.3 Ų25.39%0.09314%0.141CC..Hα-helixtrans-63.4-35174.800000113M310 L312 A318 L319M310-G314 WeakPolarHBondContact O-CA 3.34Å; M310-G314 PolarHBondContact O-N 2.99Å; L312-G314 VanDerWaalsContact C-N 3.34Å; L312-G314 PolarHBondContact O-N 3.35Å; G314-A318 WeakPolarHBondContact O-CA 3.49Å; G314-A318 VanDerWaalsContact O-CB 3.28Å; G314-A318 WeakPolarHBondContact O-CB 3.36Å; G314-A318 PolarHBondContact O-N 3.48Å; G314-L319 PolarHBondContact O-N 3.21Å
315S93.4Very high90.4Very high4 Ų425.3 Ų25.33%0.02814%0.141CC..Iπ-helixtrans-69.6-35.8174.7-590000112.2V311 L312 L313 L319 S470V311-S315 VanDerWaalsContact O-CB 3.25Å; V311-S315 WeakPolarHBondContact O-CB 3.32Å; V311-S315 PolarHBondContact O-N 3.4Å; V311-S315 PolarHBondContact O-OG 3.27Å; L312-S315 WeakPolarHBondContact O-CB 3.39Å; L312-S315 PolarHBondContact O-N 3.39Å; L312-S315 VanDerWaalsContact O-N 3.11Å; L313-S315 VanDerWaalsContact C-N 3.31Å; L313-S315 PolarHBondContact O-N 3Å; S315-L319 WeakPolarHBondContact OG-CD1 3.43Å; S315-S470 WeakPolarHBondContact CB-O 3.32Å; S315-S470 VanDerWaalsContact OG-CA 3.31Å; S315-S470 WeakPolarHBondContact OG-CA 3.34Å; S315-S470 WeakPolarHBondContact OG-CB 3.3Å; S315-S470 PolarHBondContact OG-OG 3.46Å
316V94Very high90.2Very high11 Ų1123.1 Ų23.17%0.06713%0.129CC..Iπ-helixtrans-65.9-46.1174.2178.40000111.4L312 L313 G473 I476 S477 L481 I503L312-V316 WeakPolarHBondContact O-CG2 3.42Å; L312-V316 PolarHBondContact O-N 3.34Å; L313-V316 PolarHBondContact O-N 3.19Å; V316-G473 WeakPolarHBondContact CA-O 3.43Å; V316-G473 WeakPolarHBondContact CG2-O 3.45Å; V316-I476 HydrophobicContact CG1-CG2 4.04Å; V316-I476 HydrophobicContact CG2-CB 4.12Å; V316-I476 HydrophobicContact CG2-CD1 4.4Å; V316-I476 HydrophobicContact CG2-CG2 4.13Å; V316-S477 WeakPolarHBondContact O-CB 3.47Å; V316-S477 PolarHBondContact O-OG 3.48Å; V316-L481 WeakPolarHBondContact O-CD1 3.42Å; V316-I503 HydrophobicContact CG1-CD1 3.97Å
317S91.1Very high89.9Confident1 Ų125.4 Ų25.41%0.00715%0.145CC..Iπ-helixtrans-96.3-32.4-166.667.60000115.2L313 V500 M504L313-S317 PolarHBondContact O-N 3.49Å; L313-S317 PolarHBondContact O-OG 3.29Å; L313-S317 VanDerWaalsContact O-OG 3.05Å; S317-V500 WeakPolarHBondContact O-CG1 3.3Å; S317-M504 WeakPolarHBondContact OG-CG 3.23Å
318A80.8Confident89.7Confident1 Ų125.6 Ų25.61%0.00815%0.146CC..Iπ-helixtrans-109-43.2-168.100000113.4G314 L407 K439 L442G314-A318 WeakPolarHBondContact O-CA 3.49Å; G314-A318 VanDerWaalsContact O-CB 3.28Å; G314-A318 WeakPolarHBondContact O-CB 3.36Å; G314-A318 PolarHBondContact O-N 3.48Å; A318-L407 HydrophobicContact CB-CD2 3.58Å; A318-K439 WeakPolarHBondContact O-CE 3.46Å; A318-K439 PolarHBondContact O-NZ 2.89Å; A318-K439 VanDerWaalsContact O-NZ 3.16Å; A318-L442 HydrophobicContact CB-CD1 3.79Å
319L78.9Confident89.6Confident59 Ų5925 Ų2531%0.30914%0.143SC..Iπ-helixtrans-71.9-36.5-168-62.1-175.4000113.7G314 S315 K439 V443 L474G314-L319 PolarHBondContact O-N 3.21Å; S315-L319 WeakPolarHBondContact OG-CD1 3.43Å; L319-K439 PolarHBondContact O-NZ 3.45Å; L319-V443 HydrophobicContact CD1-CG2 4.44Å; L319-V443 HydrophobicContact CD2-CG2 3.53Å; L319-L474 HydrophobicContact CB-CD2 3.79Å; L319-L474 HydrophobicContact CD1-CD2 4.47Å
320A76.3Confident89.3Confident7 Ų726.4 Ų26.46%0.05815%0.145CC..THydrogen-bonded Turntrans-112.237.4-164.700000114.7L474 S477 F478A320-L474 HydrophobicContact CB-CD2 3.69Å; A320-S477 VanDerWaalsContact CB-OG 3.27Å; A320-S477 WeakPolarHBondContact CB-OG 3.44Å; A320-F478 HydrophobicContact CB-CD1 3.7Å; A320-F478 HydrophobicContact CB-CE1 3.18Å; A320-F478 HydrophobicContact CB-CZ 3.82Å
321D82.4Confident88.8Confident1 Ų127.1 Ų27.11%0.00515%0.152CC..  trans-80-21.8-172.266.1-43.2000115.9Q323 Y324 V325 R411 K439D321-Q323 PolarHBondContact O-N 2.92Å; D321-Q323 VanDerWaalsContact O-N 3.17Å; D321-Y324 VanDerWaalsContact CA-CE1 3.46Å; D321-Y324 HydrophobicContact CB-CE1 3.95Å; D321-Y324 WeakPolarHBondContact CB-OH 3.22Å; D321-V325 HydrophobicContact CB-CG2 4.17Å; D321-V325 VanDerWaalsContact O-CB 3.28Å; D321-V325 WeakPolarHBondContact O-CB 3.42Å; D321-V325 WeakPolarHBondContact O-CG2 3.34Å; D321-V325 PolarHBondContact O-N 3.42Å; D321-R411 IonicContact OD1-NH2 2.67Å; D321-R411 IonicContact OD2-CZ 3.42Å; D321-R411 IonicContact OD2-NH1 2.6Å; D321-R411 PolarHBondContact OD2-NH1 2.66Å; D321-R411 IonicContact OD2-NH2 3.87Å; D321-R411 PolarHBondContact OD2-NH2 2.97Å; D321-K439 IonicContact OD1-NZ 3.69Å; D321-K439 PolarHBondContact OD1-NZ 3.43Å
322L83.4Confident88.4Confident82 Ų8231.4 Ų31.443%0.42918%0.18SC..Hα-helixtrans-57.1-37-172.5-176.660.8000112.9A326 S345L322-A326 WeakPolarHBondContact O-CB 3.45Å; L322-A326 PolarHBondContact O-N 3.47Å; L322-S345 WeakPolarHBondContact CD1-OG 3.29Å
323Q83.6Confident88.1Confident89 Ų8930.3 Ų30.342%0.41618%0.177SC..Hα-helixtrans-63.3-51.6-173.9-68.8-177.9-0.800112.7D321 V327 F478 P482D321-Q323 PolarHBondContact O-N 2.92Å; D321-Q323 VanDerWaalsContact O-N 3.17Å; Q323-V327 WeakPolarHBondContact O-CG2 3.42Å; Q323-F478 HydrophobicContact CG-CD1 4.28Å; Q323-F478 HydrophobicContact CG-CE1 4.39Å; Q323-F478 VanDerWaalsContact NE2-CE1 3.34Å; Q323-P482 HydrophobicContact CB-CG 4.46Å
324Y88.7Confident87.9Confident3 Ų329 Ų291%0.01217%0.169CC..Hα-helixtrans-81.9-30.5-18068.2-96000112.2D321 V327 Y328 L481 V496 F497D321-Y324 VanDerWaalsContact CA-CE1 3.46Å; D321-Y324 HydrophobicContact CB-CE1 3.95Å; D321-Y324 WeakPolarHBondContact CB-OH 3.22Å; Y324-V327 PolarHBondContact O-N 3.42Å; Y324-Y328 VanDerWaalsContact O-CB 3.31Å; Y324-Y328 WeakPolarHBondContact O-CB 3.47Å; Y324-Y328 PolarHBondContact O-N 3.11Å; Y324-L481 HydrophobicContact CD1-CB 3.96Å; Y324-L481 HydrophobicContact CD1-CD1 4.2Å; Y324-L481 HydrophobicContact CE1-CB 4.3Å; Y324-L481 HydrophobicContact CE1-CD1 3.71Å; Y324-V496 HydrophobicContact CD2-CG1 3.98Å; Y324-V496 HydrophobicContact CD2-CG2 4.06Å; Y324-V496 HydrophobicContact CE2-CG1 4.37Å; Y324-V496 HydrophobicContact CE2-CG2 4.36Å; Y324-V496 HydrophobicContact CG-CG2 4.25Å; Y324-F497 HydrophobicContact CD2-CE1 4.24Å; Y324-F497 HydrophobicContact CD2-CZ 4.24Å; Y324-F497 HydrophobicContact CE2-CD1 4.1Å; Y324-F497 AromaticContact CE2-CE1 3.65Å; Y324-F497 HydrophobicContact CE2-CE1 3.65Å; Y324-F497 HydrophobicContact CE2-CZ 4.11Å
325V91.1Very high87.6Confident5 Ų534.3 Ų34.33%0.0320%0.195CC..Hα-helixtrans-65.3-40.4175.41730000110.8D321 Y328 L329 F497D321-V325 HydrophobicContact CB-CG2 4.17Å; D321-V325 VanDerWaalsContact O-CB 3.28Å; D321-V325 WeakPolarHBondContact O-CB 3.42Å; D321-V325 WeakPolarHBondContact O-CG2 3.34Å; D321-V325 PolarHBondContact O-N 3.42Å; V325-Y328 PolarHBondContact O-N 2.88Å; V325-L329 HydrophobicContact CG1-CD1 3.74Å; V325-L329 HydrophobicContact CG1-CG 4.18Å; V325-L329 WeakPolarHBondContact O-CG 3.24Å; V325-L329 PolarHBondContact O-N 3.38Å; V325-F497 HydrophobicContact CG2-CE1 4.06Å; V325-F497 HydrophobicContact CG2-CZ 4.48Å
326A89.5Confident87.4Confident17 Ų1735.1 Ų35.114%0.1420%0.197CC..Hα-helixtrans-60.5-49.3177.400000111.3L322 Y328 L329 M330 V341L322-A326 WeakPolarHBondContact O-CB 3.45Å; L322-A326 PolarHBondContact O-N 3.47Å; A326-Y328 VanDerWaalsContact C-N 3.31Å; A326-Y328 PolarHBondContact O-N 3.31Å; A326-L329 PolarHBondContact O-N 3.05Å; A326-M330 HydrophobicContact CB-CE 4.39Å; A326-M330 VanDerWaalsContact O-CG 3.24Å; A326-M330 WeakPolarHBondContact O-CG 3.35Å; A326-M330 PolarHBondContact O-N 2.98Å; A326-V341 HydrophobicContact CB-CG1 3.69Å
327V87.7Confident87.2Confident80 Ų8037 Ų3749%0.48521%0.211SC..Hα-helixtrans-62.3-40.7177.5-176.90000111Q323 Y324 M330 G331 Y485Q323-V327 WeakPolarHBondContact O-CG2 3.42Å; Y324-V327 PolarHBondContact O-N 3.42Å; V327-M330 PolarHBondContact O-N 2.94Å; V327-G331 PolarHBondContact O-N 2.86Å; V327-G331 VanDerWaalsContact O-N 3.13Å; V327-Y485 HydrophobicContact CB-CE1 4.22Å; V327-Y485 HydrophobicContact CG1-CD1 4.23Å; V327-Y485 HydrophobicContact CG1-CE1 3.62Å
328Y92.6Very high86.6Confident3 Ų341.3 Ų41.31%0.01224%0.239CC..Hα-helixtrans-60.2-45.8176.4174.6-106000113.2Y324 V325 A326 M330 G331 F334 V414 Y418 I429 Y485 P493 F497Y324-Y328 VanDerWaalsContact O-CB 3.31Å; Y324-Y328 WeakPolarHBondContact O-CB 3.47Å; Y324-Y328 PolarHBondContact O-N 3.11Å; V325-Y328 PolarHBondContact O-N 2.88Å; A326-Y328 VanDerWaalsContact C-N 3.31Å; A326-Y328 PolarHBondContact O-N 3.31Å; Y328-M330 VanDerWaalsContact C-N 3.34Å; Y328-G331 PolarHBondContact O-N 2.95Å; Y328-F334 HydrophobicContact CD1-CE2 4.23Å; Y328-F334 HydrophobicContact CE1-CD2 4.4Å; Y328-F334 AromaticContact CE1-CE2 3.55Å; Y328-F334 HydrophobicContact CE1-CE2 3.55Å; Y328-F334 AromaticContact CE1-CZ 3.91Å; Y328-F334 HydrophobicContact CE1-CZ 3.91Å; Y328-F334 HydrophobicContact CE2-CE2 4.14Å; Y328-F334 AromaticContact CZ-CE2 3.52Å; Y328-F334 AromaticContact CZ-CZ 3.97Å; Y328-V414 HydrophobicContact CD1-CG1 4.14Å; Y328-V414 HydrophobicContact CE1-CG1 3.71Å; Y328-V414 WeakPolarHBondContact CE1-O 3.32Å; Y328-V414 PolarHBondContact OH-O 3.37Å; Y328-Y418 HydrophobicContact CE2-CD1 4.29Å; Y328-Y418 HydrophobicContact CE2-CG 4.45Å; Y328-Y418 WeakPolarHBondContact OH-CB 3.46Å; Y328-Y418 PolarHBondContact OH-N 3.34Å; Y328-I429 HydrophobicContact CE1-CD1 4.45Å; Y328-Y485 WeakPolarHBondContact CA-OH 3.5Å; Y328-Y485 AromaticContact CD2-CE2 3.88Å; Y328-Y485 HydrophobicContact CD2-CE2 3.88Å; Y328-P493 HydrophobicContact CD2-CB 4.44Å; Y328-P493 HydrophobicContact CE2-CB 4.17Å; Y328-F497 AromaticContact CD1-CE2 3.92Å; Y328-F497 HydrophobicContact CD1-CE2 3.92Å; Y328-F497 AromaticContact CD1-CZ 3.61Å; Y328-F497 HydrophobicContact CD1-CZ 3.61Å; Y328-F497 AromaticContact CD2-CE2 3.75Å; Y328-F497 HydrophobicContact CD2-CE2 3.75Å; Y328-F497 HydrophobicContact CD2-CZ 4.22Å; Y328-F497 HydrophobicContact CE1-CE2 4.02Å; Y328-F497 AromaticContact CE1-CZ 3.96Å; Y328-F497 HydrophobicContact CE1-CZ 3.96Å; Y328-F497 AromaticContact CE2-CE2 3.87Å; Y328-F497 HydrophobicContact CE2-CE2 3.87Å; Y328-F497 AromaticContact CG-CE2 3.75Å; Y328-F497 HydrophobicContact CG-CE2 3.75Å; Y328-F497 AromaticContact CG-CZ 3.73Å; Y328-F497 HydrophobicContact CG-CZ 3.73Å; Y328-F497 AromaticContact CZ-CE2 3.98Å
329L93.4Very high86.8Confident1 Ų148.3 Ų48.31%0.00527%0.272CS..Hα-helixtrans-73.3-25.5179.6-66.1174.6000112.8V325 A326 G331 F334 L335 W336 V341 Y344 I429V325-L329 HydrophobicContact CG1-CD1 3.74Å; V325-L329 HydrophobicContact CG1-CG 4.18Å; V325-L329 WeakPolarHBondContact O-CG 3.24Å; V325-L329 PolarHBondContact O-N 3.38Å; A326-L329 PolarHBondContact O-N 3.05Å; L329-G331 VanDerWaalsContact C-N 3.28Å; L329-F334 HydrophobicContact CD2-CD1 4.38Å; L329-F334 HydrophobicContact CD2-CD2 4.45Å; L329-F334 HydrophobicContact CD2-CG 4.28Å; L329-F334 WeakPolarHBondContact O-CB 3.3Å; L329-L335 PolarHBondContact O-N 3.45Å; L329-W336 HydrophobicContact CB-CB 4.39Å; L329-W336 HydrophobicContact CB-CD2 4.35Å; L329-W336 HydrophobicContact CB-CE3 4.18Å; L329-W336 HydrophobicContact CB-CG 4.47Å; L329-W336 HydrophobicContact CD1-CE3 3.88Å; L329-W336 HydrophobicContact CD1-CZ3 3.84Å; L329-W336 HydrophobicContact CG-CE3 4.44Å; L329-W336 WeakPolarHBondContact O-CB 3.47Å; L329-W336 PolarHBondContact O-N 3.13Å; L329-V341 HydrophobicContact CB-CG2 3.98Å; L329-Y344 HydrophobicContact CD1-CD1 4.1Å; L329-Y344 HydrophobicContact CD1-CE1 4.13Å; L329-I429 HydrophobicContact CD2-CD1 3.95Å; L329-I429 HydrophobicContact CD2-CG1 3.9Å; L329-I429 HydrophobicContact CD2-CG2 4.05Å
330M89.9Confident87.3Confident75 Ų7548.1 Ų48.137%0.36927%0.273SS..Hα-helixtrans-75.5-18.6171.5-68.4-178.7-16300112.6A326 V327 Y328 W336 P338 V341A326-M330 HydrophobicContact CB-CE 4.39Å; A326-M330 VanDerWaalsContact O-CG 3.24Å; A326-M330 WeakPolarHBondContact O-CG 3.35Å; A326-M330 PolarHBondContact O-N 2.98Å; V327-M330 PolarHBondContact O-N 2.94Å; Y328-M330 VanDerWaalsContact C-N 3.34Å; M330-W336 WeakPolarHBondContact CG-O 3.21Å; M330-P338 HydrophobicContact CE-CB 3.81Å; M330-P338 HydrophobicContact CE-CG 3.8Å; M330-P338 HydrophobicContact SD-CG 4.13Å; M330-V341 HydrophobicContact CE-CB 4.23Å; M330-V341 HydrophobicContact CE-CG1 4.47Å; M330-V341 HydrophobicContact CE-CG2 4.08Å; M330-V341 HydrophobicContact CG-CG2 4.21Å
331G86Confident87.9Confident14 Ų1448 Ų4814%0.14427%0.272CS..SBendtrans-79.5165.2176.700000113.9V327 Y328 L329 F334 L335V327-G331 PolarHBondContact O-N 2.86Å; V327-G331 VanDerWaalsContact O-N 3.13Å; Y328-G331 PolarHBondContact O-N 2.95Å; L329-G331 VanDerWaalsContact C-N 3.28Å; G331-F334 PolarHBondContact O-N 3.45Å; G331-F334 VanDerWaalsContact O-N 3.08Å; G331-L335 PolarHBondContact O-N 2.94Å
332P86Confident88.1Confident106 Ų10650.1 Ų50.169%0.68829%0.293SS*.THydrogen-bonded Turntrans-61146.9168.8-18.230.4000111.8L335P332-L335 HydrophobicContact CG-CD2 4.1Å
333P90.6Very high88.3Confident32 Ų3251.3 Ų51.321%0.20830%0.299CS..THydrogen-bonded Turncis-84.5-3.11.134.7-36.5000114.4L422 A425P333-L422 VanDerWaalsContact O-CD1 3.3Å; P333-L422 WeakPolarHBondContact O-CD1 3.38Å; P333-A425 HydrophobicContact CG-CB 4.1Å
334F91.9Very high88.7Confident8 Ų848 Ų484%0.03528%0.283CS..THydrogen-bonded Turntrans-74.5-47.1-170.4-52.9-78.9000113Y328 L329 G331 W336 A417 A425 I429Y328-F334 HydrophobicContact CD1-CE2 4.23Å; Y328-F334 HydrophobicContact CE1-CD2 4.4Å; Y328-F334 AromaticContact CE1-CE2 3.55Å; Y328-F334 HydrophobicContact CE1-CE2 3.55Å; Y328-F334 AromaticContact CE1-CZ 3.91Å; Y328-F334 HydrophobicContact CE1-CZ 3.91Å; Y328-F334 HydrophobicContact CE2-CE2 4.14Å; Y328-F334 AromaticContact CZ-CE2 3.52Å; Y328-F334 AromaticContact CZ-CZ 3.97Å; L329-F334 HydrophobicContact CD2-CD1 4.38Å; L329-F334 HydrophobicContact CD2-CD2 4.45Å; L329-F334 HydrophobicContact CD2-CG 4.28Å; L329-F334 WeakPolarHBondContact O-CB 3.3Å; G331-F334 PolarHBondContact O-N 3.45Å; G331-F334 VanDerWaalsContact O-N 3.08Å; F334-W336 HydrophobicContact CB-CG 4.45Å; F334-W336 VanDerWaalsContact O-CD1 3.32Å; F334-W336 PolarHBondContact O-N 2.84Å; F334-A417 HydrophobicContact CE1-CB 4.08Å; F334-A417 HydrophobicContact CZ-CB 3.73Å; F334-A425 HydrophobicContact CD1-CB 4.1Å; F334-A425 HydrophobicContact CE1-CB 3.66Å; F334-A425 HydrophobicContact CZ-CB 4.36Å; F334-I429 HydrophobicContact CD1-CG1 4.05Å; F334-I429 HydrophobicContact CE1-CD1 3.89Å; F334-I429 HydrophobicContact CE1-CG1 3.5Å; F334-I429 HydrophobicContact CZ-CD1 4.04Å; F334-I429 HydrophobicContact CZ-CG1 4.18Å
335L88.9Confident88.7Confident122 Ų12248.2 Ų48.264%0.63929%0.285SS*.  trans50.736.7-179.4-59.5174.4000113.5L329 G331 P332L329-L335 PolarHBondContact O-N 3.45Å; G331-L335 PolarHBondContact O-N 2.94Å; P332-L335 HydrophobicContact CG-CD2 4.1Å
336W89.7Confident88.6Confident21 Ų2148.8 Ų48.88%0.0829%0.292CS..  trans-65.2143.7178.2-74.917.7000110.5L329 M330 F334 T340 V341 Y344 N426 I429 Y430L329-W336 HydrophobicContact CB-CB 4.39Å; L329-W336 HydrophobicContact CB-CD2 4.35Å; L329-W336 HydrophobicContact CB-CE3 4.18Å; L329-W336 HydrophobicContact CB-CG 4.47Å; L329-W336 HydrophobicContact CD1-CE3 3.88Å; L329-W336 HydrophobicContact CD1-CZ3 3.84Å; L329-W336 HydrophobicContact CG-CE3 4.44Å; L329-W336 WeakPolarHBondContact O-CB 3.47Å; L329-W336 PolarHBondContact O-N 3.13Å; M330-W336 WeakPolarHBondContact CG-O 3.21Å; F334-W336 HydrophobicContact CB-CG 4.45Å; F334-W336 VanDerWaalsContact O-CD1 3.32Å; F334-W336 PolarHBondContact O-N 2.84Å; W336-T340 WeakPolarHBondContact CB-OG1 3.46Å; W336-V341 HydrophobicContact CB-CG2 3.85Å; W336-V341 HydrophobicContact CE3-CG2 4.07Å; W336-Y344 HydrophobicContact CH2-CD2 4.15Å; W336-Y344 HydrophobicContact CH2-CG 4.2Å; W336-Y344 AromaticContact CZ3-CD1 3.96Å; W336-Y344 HydrophobicContact CZ3-CD1 3.96Å; W336-Y344 HydrophobicContact CZ3-CD2 4.03Å; W336-Y344 AromaticContact CZ3-CG 3.62Å; W336-Y344 HydrophobicContact CZ3-CG 3.62Å; W336-N426 PolarHBondContact NE1-OD1 2.97Å; W336-I429 HydrophobicContact CH2-CB 4.43Å; W336-I429 HydrophobicContact CH2-CG2 3.73Å; W336-I429 HydrophobicContact CZ2-CB 4.46Å; W336-I429 HydrophobicContact CZ2-CG2 4.21Å; W336-I429 HydrophobicContact CZ3-CG2 4.45Å; W336-Y430 HydrophobicContact CH2-CE1 4.11Å; W336-Y430 HydrophobicContact CZ2-CE2 4.29Å
337S88Confident88.7Confident49 Ų4952.4 Ų52.434%0.34331%0.312SS..  trans-75.3156.3171.273.40000110.5E339 T340 V341S337-E339 PolarHBondContact O-N 3.44Å; S337-T340 PolarHBondContact N-OG1 3.11Å; S337-T340 PolarHBondContact O-N 2.99Å; S337-T340 PolarHBondContact O-OG1 3.16Å; S337-T340 PolarHBondContact OG-N 3.07Å; S337-T340 PolarHBondContact OG-OG1 2.74Å; S337-V341 PolarHBondContact O-N 3.36Å
338P79.6Confident88.9Confident93 Ų9349.1 Ų49.160%0.60429%0.292SS*.Hα-helixtrans-53.4-34.2172-26.234.2000113.9M330 G342M330-P338 HydrophobicContact CE-CB 3.81Å; M330-P338 HydrophobicContact CE-CG 3.8Å; M330-P338 HydrophobicContact SD-CG 4.13Å; P338-G342 PolarHBondContact O-N 3.22Å
339E84.1Confident88.8Confident148 Ų14851 Ų5169%0.69230%0.302SS*.Hα-helixtrans-63.5-47.7174.7-178178.1-17400111.7S337 V341 G342 L343S337-E339 PolarHBondContact O-N 3.44Å; E339-V341 PolarHBondContact O-N 2.98Å; E339-G342 PolarHBondContact O-N 3.38Å; E339-L343 HydrophobicContact CG-CD1 4.21Å; E339-L343 WeakPolarHBondContact O-CB 3.45Å; E339-L343 WeakPolarHBondContact O-CG 3.22Å; E339-L343 PolarHBondContact O-N 2.94Å
340T89.3Confident88.7Confident55 Ų5553.1 Ų53.134%0.33732%0.316SS..Hα-helixtrans-65.9-38.5178.452.50000112.6W336 S337 L343 Y344W336-T340 WeakPolarHBondContact CB-OG1 3.46Å; S337-T340 PolarHBondContact N-OG1 3.11Å; S337-T340 PolarHBondContact O-N 2.99Å; S337-T340 PolarHBondContact O-OG1 3.16Å; S337-T340 PolarHBondContact OG-N 3.07Å; S337-T340 PolarHBondContact OG-OG1 2.74Å; T340-L343 PolarHBondContact O-N 3.39Å; T340-Y344 WeakPolarHBondContact O-CB 3.29Å; T340-Y344 PolarHBondContact O-N 3.38Å
341V89.4Confident89Confident5 Ų552.3 Ų52.33%0.0332%0.315CS..Hα-helixtrans-64.4-40.8174173.90000111.4A326 L329 M330 W336 S337 E339 S345A326-V341 HydrophobicContact CB-CG1 3.69Å; L329-V341 HydrophobicContact CB-CG2 3.98Å; M330-V341 HydrophobicContact CE-CB 4.23Å; M330-V341 HydrophobicContact CE-CG1 4.47Å; M330-V341 HydrophobicContact CE-CG2 4.08Å; M330-V341 HydrophobicContact CG-CG2 4.21Å; W336-V341 HydrophobicContact CB-CG2 3.85Å; W336-V341 HydrophobicContact CE3-CG2 4.07Å; S337-V341 PolarHBondContact O-N 3.36Å; E339-V341 PolarHBondContact O-N 2.98Å; V341-S345 WeakPolarHBondContact O-CB 3.46Å; V341-S345 PolarHBondContact O-N 3.31Å; V341-S345 PolarHBondContact O-OG 3.38Å
342G86.2Confident89.4Confident44 Ų4451.7 Ų51.745%0.45431%0.309SS..Hα-helixtrans-64.2-48.5175.900000112.3P338 E339 S345 G346P338-G342 PolarHBondContact O-N 3.22Å; E339-G342 PolarHBondContact O-N 3.38Å; G342-S345 PolarHBondContact O-N 2.87Å; G342-G346 PolarHBondContact O-N 3.09Å
343L89.2Confident89.7Confident107 Ų10746.8 Ų46.856%0.5628%0.277SS*.Hα-helixtrans-60.4-46.4176.1-75.8171.5000111.7E339 T340 S345 V347E339-L343 HydrophobicContact CG-CD1 4.21Å; E339-L343 WeakPolarHBondContact O-CB 3.45Å; E339-L343 WeakPolarHBondContact O-CG 3.22Å; E339-L343 PolarHBondContact O-N 2.94Å; T340-L343 PolarHBondContact O-N 3.39Å; L343-S345 PolarHBondContact O-N 3.27Å; L343-V347 WeakPolarHBondContact O-CB 3.41Å; L343-V347 VanDerWaalsContact O-CG2 3.25Å; L343-V347 WeakPolarHBondContact O-CG2 3.4Å; L343-V347 PolarHBondContact O-N 3.49Å
344Y91.7Very high89.9Confident21 Ų2149.9 Ų49.98%0.08229%0.291CS..Hα-helixtrans-54.1-54.9175.3169.1-111.7000111.5L329 W336 T340 T348 I429 S433 R436L329-Y344 HydrophobicContact CD1-CD1 4.1Å; L329-Y344 HydrophobicContact CD1-CE1 4.13Å; W336-Y344 HydrophobicContact CH2-CD2 4.15Å; W336-Y344 HydrophobicContact CH2-CG 4.2Å; W336-Y344 AromaticContact CZ3-CD1 3.96Å; W336-Y344 HydrophobicContact CZ3-CD1 3.96Å; W336-Y344 HydrophobicContact CZ3-CD2 4.03Å; W336-Y344 AromaticContact CZ3-CG 3.62Å; W336-Y344 HydrophobicContact CZ3-CG 3.62Å; T340-Y344 WeakPolarHBondContact O-CB 3.29Å; T340-Y344 PolarHBondContact O-N 3.38Å; Y344-T348 HydrophobicContact CD2-CG2 4.13Å; Y344-T348 HydrophobicContact CE2-CG2 3.74Å; Y344-T348 WeakPolarHBondContact O-CG2 3.23Å; Y344-T348 PolarHBondContact O-N 2.76Å; Y344-T348 PolarHBondContact O-OG1 2.95Å; Y344-I429 HydrophobicContact CE2-CG2 4.27Å; Y344-S433 WeakPolarHBondContact CE2-OG 3.31Å; Y344-S433 PolarHBondContact OH-OG 3.48Å; Y344-R436 PolarHBondContact OH-NH1 3.29Å
345S88.3Confident90.1Very high6 Ų652.7 Ų52.74%0.04231%0.306CS..Hα-helixtrans-65.4-47-175.3-55.40000111.4L322 V341 G342 L343 V347 T348 D349L322-S345 WeakPolarHBondContact CD1-OG 3.29Å; V341-S345 WeakPolarHBondContact O-CB 3.46Å; V341-S345 PolarHBondContact O-N 3.31Å; V341-S345 PolarHBondContact O-OG 3.38Å; G342-S345 PolarHBondContact O-N 2.87Å; L343-S345 PolarHBondContact O-N 3.27Å; S345-V347 PolarHBondContact O-N 3.35Å; S345-T348 WeakPolarHBondContact CA-OG1 3.32Å; S345-T348 PolarHBondContact O-N 3.15Å; S345-T348 PolarHBondContact O-OG1 3.18Å; S345-D349 WeakPolarHBondContact O-CB 3.24Å; S345-D349 PolarHBondContact O-N 2.92Å
346G88.9Confident90.4Very high18 Ų1846.9 Ų46.919%0.18628%0.276CS..Hα-helixtrans-60.1-47178.500000112.7G342 T348 D349 V350G342-G346 PolarHBondContact O-N 3.09Å; G346-T348 PolarHBondContact O-N 3.22Å; G346-D349 PolarHBondContact O-N 3.36Å; G346-V350 WeakPolarHBondContact O-CB 3.46Å; G346-V350 WeakPolarHBondContact O-CG2 3.39Å; G346-V350 PolarHBondContact O-N 2.9Å
347V91.2Very high90.7Very high93 Ų9348 Ų4856%0.56429%0.285SS*.Hα-helixtrans-63.1-44.3177.1172.90000110.8L343 S345 D349 T351L343-V347 WeakPolarHBondContact O-CB 3.41Å; L343-V347 VanDerWaalsContact O-CG2 3.25Å; L343-V347 WeakPolarHBondContact O-CG2 3.4Å; L343-V347 PolarHBondContact O-N 3.49Å; S345-V347 PolarHBondContact O-N 3.35Å; V347-D349 PolarHBondContact O-N 2.87Å; V347-T351 HydrophobicContact CG1-CG2 4.34Å; V347-T351 WeakPolarHBondContact O-CB 3.36Å; V347-T351 VanDerWaalsContact O-CG2 3.24Å; V347-T351 WeakPolarHBondContact O-CG2 3.47Å; V347-T351 PolarHBondContact O-N 3.25Å; V347-T351 PolarHBondContact O-OG1 3.13Å
348T91.9Very high91.1Very high10 Ų1050.4 Ų50.46%0.06129%0.293CS..Hα-helixtrans-64.7-38.1178.954.20000113Y344 S345 G346 T351 A352 R436Y344-T348 HydrophobicContact CD2-CG2 4.13Å; Y344-T348 HydrophobicContact CE2-CG2 3.74Å; Y344-T348 WeakPolarHBondContact O-CG2 3.23Å; Y344-T348 PolarHBondContact O-N 2.76Å; Y344-T348 PolarHBondContact O-OG1 2.95Å; S345-T348 WeakPolarHBondContact CA-OG1 3.32Å; S345-T348 PolarHBondContact O-N 3.15Å; S345-T348 PolarHBondContact O-OG1 3.18Å; G346-T348 PolarHBondContact O-N 3.22Å; T348-T351 WeakPolarHBondContact CA-OG1 3.37Å; T348-T351 PolarHBondContact O-OG1 3Å; T348-A352 WeakPolarHBondContact O-CB 3.34Å; T348-A352 PolarHBondContact O-N 2.73Å; T348-R436 PolarHBondContact OG1-NH2 3.47Å
349D90.1Very high91.9Very high42 Ų4247.6 Ų47.623%0.22528%0.275CS..Hα-helixtrans-77.9-38.3-176.1-64.7-17.6000111.2S345 G346 V347 A352 A353 R436S345-D349 WeakPolarHBondContact O-CB 3.24Å; S345-D349 PolarHBondContact O-N 2.92Å; G346-D349 PolarHBondContact O-N 3.36Å; V347-D349 PolarHBondContact O-N 2.87Å; D349-A352 PolarHBondContact O-N 2.89Å; D349-A353 WeakPolarHBondContact O-CB 3.31Å; D349-A353 PolarHBondContact O-N 3.28Å; D349-R436 IonicContact OD1-CZ 3.22Å; D349-R436 IonicContact OD1-NE 3.28Å; D349-R436 IonicContact OD1-NH2 3.74Å; D349-R436 PolarHBondContact OD1-NH2 3.33Å; D349-R436 IonicContact OD2-NH2 3.93Å
350V92.3Very high92.4Very high47 Ų4740.7 Ų40.729%0.28524%0.243SC..Hα-helixtrans-63.2-45.5172.4170.80000111.1L205 G346 A353 L354L205-V350 HydrophobicContact CD2-CB 4.19Å; L205-V350 HydrophobicContact CD2-CG1 3.87Å; L205-V350 HydrophobicContact CD2-CG2 3.88Å; G346-V350 WeakPolarHBondContact O-CB 3.46Å; G346-V350 WeakPolarHBondContact O-CG2 3.39Å; G346-V350 PolarHBondContact O-N 2.9Å; V350-A353 PolarHBondContact O-N 2.95Å; V350-L354 HydrophobicContact CG1-CD1 4.35Å; V350-L354 WeakPolarHBondContact O-CG 3.42Å; V350-L354 PolarHBondContact O-N 3.37Å; V350-L354 VanDerWaalsContact O-N 3.1Å
351T94.8Very high92.7Very high57 Ų5740.1 Ų40.135%0.3524%0.239SC..Hα-helixtrans-66.8-39.2178.551.50000111.8V347 T348 L354 L355 L437V347-T351 HydrophobicContact CG1-CG2 4.34Å; V347-T351 WeakPolarHBondContact O-CB 3.36Å; V347-T351 VanDerWaalsContact O-CG2 3.24Å; V347-T351 WeakPolarHBondContact O-CG2 3.47Å; V347-T351 PolarHBondContact O-N 3.25Å; V347-T351 PolarHBondContact O-OG1 3.13Å; T348-T351 WeakPolarHBondContact CA-OG1 3.37Å; T348-T351 PolarHBondContact O-OG1 3Å; T351-L354 PolarHBondContact O-N 2.83Å; T351-L355 VanDerWaalsContact O-CB 3.22Å; T351-L355 WeakPolarHBondContact O-CB 3.31Å; T351-L355 PolarHBondContact O-N 2.67Å; T351-L437 WeakPolarHBondContact OG1-CD2 3.44Å
352A94.4Very high93Very high2 Ų244.4 Ų44.42%0.01726%0.261CS..Hα-helixtrans-61.2-43.5173.900000111.9T348 D349 L355 S356 L437 S440T348-A352 WeakPolarHBondContact O-CB 3.34Å; T348-A352 PolarHBondContact O-N 2.73Å; D349-A352 PolarHBondContact O-N 2.89Å; A352-L355 PolarHBondContact O-N 3.42Å; A352-S356 VanDerWaalsContact O-CB 3.29Å; A352-S356 WeakPolarHBondContact O-CB 3.46Å; A352-S356 PolarHBondContact O-N 3.01Å; A352-L437 HydrophobicContact CB-CB 4.41Å; A352-L437 HydrophobicContact CB-CD2 4.16Å; A352-L437 WeakPolarHBondContact CB-O 3.5Å; A352-S440 VanDerWaalsContact CB-OG 3.29Å; A352-S440 WeakPolarHBondContact CB-OG 3.31Å
353A93.9Very high93.4Very high2 Ų244.5 Ų44.52%0.01725%0.251CS..Hα-helixtrans-60.2-50176.700000111.9A204 D349 V350 S356 V357A204-A353 HydrophobicContact CB-CB 4.17Å; D349-A353 WeakPolarHBondContact O-CB 3.31Å; D349-A353 PolarHBondContact O-N 3.28Å; V350-A353 PolarHBondContact O-N 2.95Å; A353-S356 PolarHBondContact O-N 3.25Å; A353-S356 PolarHBondContact O-OG 3.08Å; A353-V357 PolarHBondContact O-N 3.43Å
354L95Very high93.5Very high98 Ų9839.7 Ų39.751%0.51323%0.226SC..Hα-helixtrans-64.3-44.4178.8-66.8175.4000112.3V350 T351 S356 V357 I358V350-L354 HydrophobicContact CG1-CD1 4.35Å; V350-L354 WeakPolarHBondContact O-CG 3.42Å; V350-L354 PolarHBondContact O-N 3.37Å; V350-L354 VanDerWaalsContact O-N 3.1Å; T351-L354 PolarHBondContact O-N 2.83Å; L354-S356 VanDerWaalsContact C-N 3.3Å; L354-S356 PolarHBondContact O-N 2.91Å; L354-V357 PolarHBondContact O-N 3.31Å; L354-I358 WeakPolarHBondContact O-CG1 3.3Å; L354-I358 PolarHBondContact O-N 3.44Å
355L95.7Very high93.5Very high67 Ų6744 Ų4435%0.35125%0.245SC..Hα-helixtrans-62.6-39.5178.4-174.964.1000111.2T351 A352 V357 I358 C359 L437T351-L355 VanDerWaalsContact O-CB 3.22Å; T351-L355 WeakPolarHBondContact O-CB 3.31Å; T351-L355 PolarHBondContact O-N 2.67Å; A352-L355 PolarHBondContact O-N 3.42Å; L355-V357 VanDerWaalsContact C-N 3.34Å; L355-V357 PolarHBondContact O-N 2.93Å; L355-I358 PolarHBondContact O-N 2.92Å; L355-C359 VanDerWaalsContact CD1-SG 3.54Å; L355-C359 VanDerWaalsContact O-CB 3.26Å; L355-C359 WeakPolarHBondContact O-CB 3.46Å; L355-C359 PolarHBondContact O-N 3.45Å; L355-C359 PolarHBondContact O-SG 3.01Å; L355-L437 HydrophobicContact CD2-CB 3.9Å; L355-L437 HydrophobicContact CD2-CD1 3.96Å
356S95.7Very high93.6Very high0 Ų047 Ų470%027%0.265CS..Hα-helixtrans-58.9-43.617976.80000112.4T197 A352 A353 L354 T360 F441T197-S356 WeakPolarHBondContact CG2-OG 3.34Å; A352-S356 VanDerWaalsContact O-CB 3.29Å; A352-S356 WeakPolarHBondContact O-CB 3.46Å; A352-S356 PolarHBondContact O-N 3.01Å; A353-S356 PolarHBondContact O-N 3.25Å; A353-S356 PolarHBondContact O-OG 3.08Å; L354-S356 VanDerWaalsContact C-N 3.3Å; L354-S356 PolarHBondContact O-N 2.91Å; S356-T360 WeakPolarHBondContact O-CB 3.31Å; S356-T360 PolarHBondContact O-N 3.17Å; S356-T360 PolarHBondContact O-OG1 3.2Å; S356-F441 VanDerWaalsContact CA-CZ 3.49Å
357V95.7Very high93.6Very high45 Ų4547 Ų4727%0.27326%0.261SS..Hα-helixtrans-66.1-49178.11770000110.6T197 I198 A353 L354 L355 T360 V361T197-V357 HydrophobicContact CG2-CG2 3.99Å; I198-V357 HydrophobicContact CG1-CG1 4.24Å; I198-V357 HydrophobicContact CG1-CG2 4.41Å; A353-V357 PolarHBondContact O-N 3.43Å; L354-V357 PolarHBondContact O-N 3.31Å; L355-V357 VanDerWaalsContact C-N 3.34Å; L355-V357 PolarHBondContact O-N 2.93Å; V357-T360 PolarHBondContact O-N 3.05Å; V357-V361 WeakPolarHBondContact O-CG2 3.39Å; V357-V361 PolarHBondContact O-N 3.05Å
358I96.1Very high93.3Very high99 Ų9946.3 Ų46.351%0.50825%0.252SS..Hα-helixtrans-60.8-52.1-178.7-65167.7000110.3L354 L355 T360 V361 L362L354-I358 WeakPolarHBondContact O-CG1 3.3Å; L354-I358 PolarHBondContact O-N 3.44Å; L355-I358 PolarHBondContact O-N 2.92Å; I358-T360 PolarHBondContact O-N 3.46Å; I358-V361 PolarHBondContact O-N 3.45Å; I358-L362 HydrophobicContact CG2-CD1 3.91Å; I358-L362 HydrophobicContact CG2-CG 4.42Å; I358-L362 VanDerWaalsContact O-CG 3.3Å; I358-L362 WeakPolarHBondContact O-CG 3.31Å; I358-L362 PolarHBondContact O-N 2.94Å
359C95.8Very high93Very high34 Ų3454.5 Ų54.523%0.2328%0.281CS..Hα-helixtrans-63.9-40.7-179.9-73.60000112.2L355 V361 L362 I363 F441L355-C359 VanDerWaalsContact CD1-SG 3.54Å; L355-C359 VanDerWaalsContact O-CB 3.26Å; L355-C359 WeakPolarHBondContact O-CB 3.46Å; L355-C359 PolarHBondContact O-N 3.45Å; L355-C359 PolarHBondContact O-SG 3.01Å; C359-V361 VanDerWaalsContact C-N 3.34Å; C359-V361 PolarHBondContact O-N 2.98Å; C359-L362 PolarHBondContact O-N 3.23Å; C359-I363 WeakPolarHBondContact O-CB 3.16Å; C359-I363 WeakPolarHBondContact O-CD1 3.47Å; C359-I363 WeakPolarHBondContact O-CG1 3.49Å; C359-I363 PolarHBondContact O-N 3.41Å; C359-F441 HydrophobicContact CB-CE1 3.6Å; C359-F441 HydrophobicContact CB-CZ 3.46Å; C359-F441 VanDerWaalsContact CB-CZ 3.46Å
360T95.9Very high92.7Very high2 Ų261.3 Ų61.31%0.01230%0.304CS..Hα-helixtrans-58.8-46.4176.3-62.90000110.9W193 I194 S356 V357 I358 L362 I363 I364W193-T360 HydrophobicContact CD2-CG2 3.8Å; W193-T360 HydrophobicContact CE3-CG2 4.26Å; W193-T360 HydrophobicContact CG-CG2 4.15Å; W193-T360 HydrophobicContact CH2-CG2 4.43Å; W193-T360 HydrophobicContact CZ2-CG2 4Å; I194-T360 HydrophobicContact CG1-CG2 4.25Å; S356-T360 WeakPolarHBondContact O-CB 3.31Å; S356-T360 PolarHBondContact O-N 3.17Å; S356-T360 PolarHBondContact O-OG1 3.2Å; V357-T360 PolarHBondContact O-N 3.05Å; I358-T360 PolarHBondContact O-N 3.46Å; T360-L362 PolarHBondContact O-N 3.35Å; T360-I363 PolarHBondContact O-N 3Å; T360-I364 HydrophobicContact CG2-CD1 3.92Å; T360-I364 WeakPolarHBondContact O-CB 3.45Å; T360-I364 WeakPolarHBondContact O-CG1 3.5Å; T360-I364 PolarHBondContact O-N 3.46Å
361V94.9Very high92Very high44 Ų4462.9 Ų62.927%0.26731%0.307SS..Hα-helixtrans-63.4-41176.8172.20000111.5V357 I358 C359 K365V357-V361 WeakPolarHBondContact O-CG2 3.39Å; V357-V361 PolarHBondContact O-N 3.05Å; I358-V361 PolarHBondContact O-N 3.45Å; C359-V361 VanDerWaalsContact C-N 3.34Å; C359-V361 PolarHBondContact O-N 2.98Å; V361-K365 HydrophobicContact CG1-CD 4.07Å; V361-K365 WeakPolarHBondContact O-CB 3.3Å; V361-K365 VanDerWaalsContact O-CG 3.29Å; V361-K365 WeakPolarHBondContact O-CG 3.43Å; V361-K365 PolarHBondContact O-N 3.37Å
362L95Very high91.3Very high94 Ų9463 Ų6349%0.49231%0.313SS..Hα-helixtrans-65.3-46.2177-70.6175000112I358 C359 T360 I364 K365 C366I358-L362 HydrophobicContact CG2-CD1 3.91Å; I358-L362 HydrophobicContact CG2-CG 4.42Å; I358-L362 VanDerWaalsContact O-CG 3.3Å; I358-L362 WeakPolarHBondContact O-CG 3.31Å; I358-L362 PolarHBondContact O-N 2.94Å; C359-L362 PolarHBondContact O-N 3.23Å; T360-L362 PolarHBondContact O-N 3.35Å; L362-I364 VanDerWaalsContact C-N 3.32Å; L362-I364 PolarHBondContact O-N 3.25Å; L362-K365 PolarHBondContact O-N 3.34Å; L362-C366 WeakPolarHBondContact O-CB 3.39Å; L362-C366 PolarHBondContact O-N 2.93Å; L362-C366 PolarHBondContact O-SG 3.45Å
363I94.7Very high90.5Very high46 Ų4670.3 Ų70.324%0.23635%0.345CS..Hα-helixtrans-58.9-46.2178-69.3163.1000110.1W193 C359 T360 C366 D367 L395 V399W193-I363 HydrophobicContact CH2-CB 4.36Å; W193-I363 HydrophobicContact CH2-CD1 4.44Å; W193-I363 HydrophobicContact CH2-CG2 3.88Å; W193-I363 HydrophobicContact CZ3-CG2 4.1Å; C359-I363 WeakPolarHBondContact O-CB 3.16Å; C359-I363 WeakPolarHBondContact O-CD1 3.47Å; C359-I363 WeakPolarHBondContact O-CG1 3.49Å; C359-I363 PolarHBondContact O-N 3.41Å; T360-I363 PolarHBondContact O-N 3Å; I363-C366 PolarHBondContact O-N 2.88Å; I363-D367 PolarHBondContact O-N 3.1Å; I363-L395 HydrophobicContact CG2-CD1 4.2Å; I363-L395 HydrophobicContact CG2-CD2 4.47Å; I363-V399 HydrophobicContact CD1-CG1 4.24Å; I363-V399 HydrophobicContact CD1-CG2 4.34Å; I363-V399 HydrophobicContact CG2-CG2 4.4Å
364I92Very high89.6Confident6 Ų672.4 Ų72.43%0.03136%0.362CS..Hα-helixtrans-62.2-46.8178-74.8168.2000111.3K190 W193 I194 T360 L362 C366 D367 E368K190-I364 HydrophobicContact CB-CD1 4.27Å; K190-I364 HydrophobicContact CB-CG2 4.4Å; K190-I364 HydrophobicContact CD-CG2 4.08Å; W193-I364 HydrophobicContact CD2-CD1 4.32Å; W193-I364 HydrophobicContact CE3-CD1 3.7Å; W193-I364 HydrophobicContact CE3-CG1 3.79Å; W193-I364 HydrophobicContact CZ3-CD1 4.2Å; W193-I364 HydrophobicContact CZ3-CG1 3.82Å; I194-I364 HydrophobicContact CD1-CD1 3.6Å; I194-I364 HydrophobicContact CG1-CD1 3.34Å; T360-I364 HydrophobicContact CG2-CD1 3.92Å; T360-I364 WeakPolarHBondContact O-CB 3.45Å; T360-I364 WeakPolarHBondContact O-CG1 3.5Å; T360-I364 PolarHBondContact O-N 3.46Å; L362-I364 VanDerWaalsContact C-N 3.32Å; L362-I364 PolarHBondContact O-N 3.25Å; I364-C366 VanDerWaalsContact C-N 3.33Å; I364-C366 PolarHBondContact O-N 3.49Å; I364-D367 PolarHBondContact O-N 3.22Å; I364-E368 WeakPolarHBondContact O-CG 3.23Å; I364-E368 PolarHBondContact O-N 3.38Å
365K90.8Very high88.4Confident113 Ų11373.2 Ų73.249%0.49137%0.366SS..Hα-helixtrans-61.5-40.4176.6-76.7177.3177.91790111.9V361 L362 E368 R369V361-K365 HydrophobicContact CG1-CD 4.07Å; V361-K365 WeakPolarHBondContact O-CB 3.3Å; V361-K365 VanDerWaalsContact O-CG 3.29Å; V361-K365 WeakPolarHBondContact O-CG 3.43Å; V361-K365 PolarHBondContact O-N 3.37Å; L362-K365 PolarHBondContact O-N 3.34Å; K365-E368 PolarHBondContact O-N 3Å; K365-R369 VanDerWaalsContact O-CG 3.31Å; K365-R369 WeakPolarHBondContact O-CG 3.37Å; K365-R369 PolarHBondContact O-N 3.34Å
366C91Very high87.1Confident68 Ų6875.7 Ų75.746%0.45938%0.384SS..Hα-helixtrans-64.6-44176.5-75.80000111.8L362 I363 I364 R369 R370L362-C366 WeakPolarHBondContact O-CB 3.39Å; L362-C366 PolarHBondContact O-N 2.93Å; L362-C366 PolarHBondContact O-SG 3.45Å; I363-C366 PolarHBondContact O-N 2.88Å; I364-C366 VanDerWaalsContact C-N 3.33Å; I364-C366 PolarHBondContact O-N 3.49Å; C366-R369 PolarHBondContact O-N 3.4Å; C366-R370 WeakPolarHBondContact O-CG 3.3Å; C366-R370 PolarHBondContact O-N 2.96Å
367D87.7Confident85.8Confident19 Ų1982 Ų8210%0.10242%0.419CS..Hα-helixtrans-66.1-39.4176.3179.464.6000112.2K190 I363 I364 R370 K371 R391 L395K190-D367 VanDerWaalsContact CE-OD2 3.27Å; K190-D367 WeakPolarHBondContact CE-OD2 3.4Å; K190-D367 IonicContact NZ-OD2 2.65Å; K190-D367 PolarHBondContact NZ-OD2 3.08Å; I363-D367 PolarHBondContact O-N 3.1Å; I364-D367 PolarHBondContact O-N 3.22Å; D367-R370 PolarHBondContact O-N 3.09Å; D367-K371 WeakPolarHBondContact O-CB 3.4Å; D367-K371 PolarHBondContact O-N 3.38Å; D367-R391 IonicContact OD1-CZ 3.57Å; D367-R391 IonicContact OD1-NE 3.48Å; D367-R391 PolarHBondContact OD1-NE 3.39Å; D367-R391 IonicContact OD1-NH2 2.78Å; D367-R391 PolarHBondContact OD1-NH2 3.2Å; D367-R391 IonicContact OD2-NH2 4Å; D367-L395 HydrophobicContact CB-CD2 4.2Å
368E85.6Confident84.1Confident78 Ų7886.4 Ų86.436%0.36444%0.436SS..Hα-helixtrans-61.8-42.8173.9-73.8-177.4168.700112.1K190 I364 K365 K371 A372K190-E368 VanDerWaalsContact NZ-CG 3.34Å; I364-E368 WeakPolarHBondContact O-CG 3.23Å; I364-E368 PolarHBondContact O-N 3.38Å; K365-E368 PolarHBondContact O-N 3Å; E368-K371 PolarHBondContact O-N 3.48Å; E368-A372 PolarHBondContact O-N 2.84Å
369R85.6Confident82Confident182 Ų18290 Ų9069%0.68746%0.456SS*.Hα-helixtrans-63.2-42.3174.6-74.5176.1179.2-167.6-0.5112.2K365 C366 K371 A372 K373K365-R369 VanDerWaalsContact O-CG 3.31Å; K365-R369 WeakPolarHBondContact O-CG 3.37Å; K365-R369 PolarHBondContact O-N 3.34Å; C366-R369 PolarHBondContact O-N 3.4Å; R369-K371 VanDerWaalsContact C-N 3.32Å; R369-K371 PolarHBondContact O-N 3.34Å; R369-A372 PolarHBondContact O-N 2.92Å; R369-K373 PolarHBondContact O-N 3.4Å; R369-K373 VanDerWaalsContact O-N 3.13Å
370R84.4Confident80Confident185 Ų18591.6 Ų91.670%0.69847%0.472SS*.Hα-helixtrans-62-41.2175.2-74.9179.3-177.9-174.31111.3C366 D367 A374C366-R370 WeakPolarHBondContact O-CG 3.3Å; C366-R370 PolarHBondContact O-N 2.96Å; D367-R370 PolarHBondContact O-N 3.09Å; R370-A374 PolarHBondContact O-N 3.23Å; R370-A374 VanDerWaalsContact O-N 3.13Å
371K78.1Confident77.8Confident79 Ų7997.1 Ų97.134%0.34351%0.506SS..Hα-helixtrans-63.5-44.7175.6-172.6-178.7177.9-176.30111.9D367 E368 R369 K373 A374 L375D367-K371 WeakPolarHBondContact O-CB 3.4Å; D367-K371 PolarHBondContact O-N 3.38Å; E368-K371 PolarHBondContact O-N 3.48Å; R369-K371 VanDerWaalsContact C-N 3.32Å; R369-K371 PolarHBondContact O-N 3.34Å; K371-K373 VanDerWaalsContact C-N 3.33Å; K371-K373 PolarHBondContact O-N 2.88Å; K371-A374 PolarHBondContact O-N 2.99Å; K371-L375 PolarHBondContact O-N 3.47Å
372A78.4Confident75.7Confident59 Ų59105.2 Ų105.249%0.48854%0.537SS..Hα-helixtrans-60.6-41.4179.500000112.1E368 R369 T376E368-A372 PolarHBondContact O-N 2.84Å; R369-A372 PolarHBondContact O-N 2.92Å; A372-T376 PolarHBondContact O-N 3.37Å; A372-T376 PolarHBondContact O-OG1 3.5Å
373K78.9Confident73.4Confident156 Ų156108.2 Ų108.268%0.67855%0.549SS*.Hα-helixtrans-64.2-49.3175.3-70.2-175.9176.9-168.30112.5R369 K371 L375 T376 D377R369-K373 PolarHBondContact O-N 3.4Å; R369-K373 VanDerWaalsContact O-N 3.13Å; K371-K373 VanDerWaalsContact C-N 3.33Å; K371-K373 PolarHBondContact O-N 2.88Å; K373-L375 PolarHBondContact O-N 3.37Å; K373-T376 WeakPolarHBondContact O-CB 3.4Å; K373-T376 PolarHBondContact O-N 2.98Å; K373-T376 VanDerWaalsContact O-N 3.1Å; K373-D377 PolarHBondContact O-N 2.85Å
374A74.9Confident71.5Confident47 Ų47109.5 Ų109.539%0.38856%0.562SS.*Hα-helixtrans-62.9-29.8-179.500000113.6R370 K371 D377 Q378R370-A374 PolarHBondContact O-N 3.23Å; R370-A374 VanDerWaalsContact O-N 3.13Å; K371-A374 PolarHBondContact O-N 2.99Å; A374-D377 PolarHBondContact O-N 2.83Å; A374-Q378 PolarHBondContact O-N 3.19Å
375L70Confident69.8Low114 Ų114114.4 Ų114.460%0.59758%0.584SS**Hα-helixtrans-74-27.4176.8-150.199000112.7K371 K373 D377K371-L375 PolarHBondContact O-N 3.47Å; K373-L375 PolarHBondContact O-N 3.37Å; L375-D377 VanDerWaalsContact C-N 3.35Å
376T68.5Low68.3Low119 Ų119111.7 Ų111.773%0.7358%0.583SS**Hα-helixtrans-71.9-34173.3-53.50000111.1A372 K373A372-T376 PolarHBondContact O-N 3.37Å; A372-T376 PolarHBondContact O-OG1 3.5Å; K373-T376 WeakPolarHBondContact O-CB 3.4Å; K373-T376 PolarHBondContact O-N 2.98Å; K373-T376 VanDerWaalsContact O-N 3.1Å
377D68.7Low67.1Low134 Ų134113.6 Ų113.672%0.71759%0.588SS**Hα-helixtrans-80.6-19.9-177.3-62.5-23000113.4K373 A374 L375K373-D377 PolarHBondContact O-N 2.85Å; A374-D377 PolarHBondContact O-N 2.83Å; L375-D377 VanDerWaalsContact C-N 3.35Å
378Q58.1Low66.1Low137 Ų137115.1 Ų115.164%0.6460%0.596SS**  trans-132.6123.8-179.2-70.3-174.1-11.900111.3A374 A380A374-Q378 PolarHBondContact O-N 3.19Å; Q378-A380 HydrophobicContact CB-CB 4.3Å; Q378-A380 PolarHBondContact O-N 3.43Å
379N53.7Low65.5Low174 Ų174112.5 Ų112.593%0.9358%0.583SS**  trans-65.853.5165.9-83-20.7000111.7T381N379-T381 PolarHBondContact O-N 2.83Å
380A53.7Low65.1Low67 Ų67106.1 Ų106.155%0.55457%0.565SS**  trans-67.6115.1-162.200000112.8Q378Q378-A380 HydrophobicContact CB-CB 4.3Å; Q378-A380 PolarHBondContact O-N 3.43Å
381T49.8Very low65Low118 Ų118101.9 Ų101.972%0.72455%0.549SS*.  trans-63.8164.3176.3310000114N379 H383N379-T381 PolarHBondContact O-N 2.83Å; T381-H383 PolarHBondContact O-N 3.31Å
382K51Low65.4Low214 Ų21498.8 Ų98.893%0.9354%0.535SS*.SBendtrans-46.1-3.5-167.7-87.2175.4171.6177.40120.1S384K382-S384 PolarHBondContact O-N 2.75Å
383H45.9Very low65.9Low158 Ų15896 Ų9673%0.73151%0.512SS*.THydrogen-bonded Turntrans-72.619177-81.2-68.4000115.2T381 Q385 N387T381-H383 PolarHBondContact O-N 3.31Å; H383-Q385 PolarHBondContact O-N 2.97Å; H383-N387 PolarHBondContact O-ND2 2.89Å
384S55.4Low66.5Low73 Ų7391.6 Ų91.651%0.5150%0.496SS..Hα-helixtrans-70.2-33.3-163.9-170.60000114.9K382 L388K382-S384 PolarHBondContact O-N 2.75Å; S384-L388 VanDerWaalsContact O-CB 3.26Å; S384-L388 WeakPolarHBondContact O-CB 3.28Å; S384-L388 PolarHBondContact O-N 3.46Å; S384-L388 VanDerWaalsContact O-N 3.12Å
385Q54.9Low67.4Low108 Ų10891.2 Ų91.251%0.50549%0.488SS..Hα-helixtrans-76.7-48.2-169.2-70.2-174.86.700114.2H383 N387 L388 Y389 Y554H383-Q385 PolarHBondContact O-N 2.97Å; Q385-N387 VanDerWaalsContact C-N 3.31Å; Q385-N387 PolarHBondContact O-N 3.39Å; Q385-L388 WeakPolarHBondContact O-CB 3.5Å; Q385-L388 PolarHBondContact O-N 3.32Å; Q385-L388 VanDerWaalsContact O-N 3.08Å; Q385-Y389 PolarHBondContact O-N 2.78Å; Q385-Y554 PolarHBondContact O-OH 2.72Å
386A59.6Low68.6Low56 Ų5686.1 Ų86.146%0.46346%0.461SS..Hα-helixtrans-65.6-37-179.600000111.9L388 Y389 T390 Y554A386-L388 VanDerWaalsContact C-N 3.28Å; A386-L388 PolarHBondContact O-N 3.34Å; A386-Y389 PolarHBondContact O-N 2.96Å; A386-T390 PolarHBondContact O-N 3.45Å; A386-T390 PolarHBondContact O-OG1 3Å; A386-Y554 VanDerWaalsContact CA-OH 3.23Å; A386-Y554 WeakPolarHBondContact CA-OH 3.46Å; A386-Y554 PolarHBondContact N-OH 3.29Å; A386-Y554 VanDerWaalsContact N-OH 3.1Å
387N65.9Low69.8Low108 Ų10880.8 Ų80.858%0.57843%0.428SS*.Hα-helixtrans-66.2-31.6174.2-70.6-10.6000111.8H383 Q385 R391H383-N387 PolarHBondContact O-ND2 2.89Å; Q385-N387 VanDerWaalsContact C-N 3.31Å; Q385-N387 PolarHBondContact O-N 3.39Å; N387-R391 WeakPolarHBondContact O-CB 3.43Å; N387-R391 PolarHBondContact O-N 3.25Å
388L68Low71.1Confident51 Ų5178.5 Ų78.527%0.26742%0.419SS..Hα-helixtrans-70.5-42.9178.6-172.973.1000112.3S384 Q385 A386 Q392S384-L388 VanDerWaalsContact O-CB 3.26Å; S384-L388 WeakPolarHBondContact O-CB 3.28Å; S384-L388 PolarHBondContact O-N 3.46Å; S384-L388 VanDerWaalsContact O-N 3.12Å; Q385-L388 WeakPolarHBondContact O-CB 3.5Å; Q385-L388 PolarHBondContact O-N 3.32Å; Q385-L388 VanDerWaalsContact O-N 3.08Å; A386-L388 VanDerWaalsContact C-N 3.28Å; A386-L388 PolarHBondContact O-N 3.34Å; L388-Q392 WeakPolarHBondContact O-CG 3.47Å; L388-Q392 PolarHBondContact O-N 3.48Å; L388-Q392 VanDerWaalsContact O-N 3.07Å
389Y72.1Confident72.9Confident23 Ų2373 Ų739%0.0939%0.394CS..Hα-helixtrans-61.2-52.2175.9171.4-98.5000110.7Q385 A386 R391 Q392 M393 I452 M518 Y554Q385-Y389 PolarHBondContact O-N 2.78Å; A386-Y389 PolarHBondContact O-N 2.96Å; Y389-R391 VanDerWaalsContact C-N 3.3Å; Y389-R391 PolarHBondContact O-N 3.17Å; Y389-Q392 PolarHBondContact O-N 2.92Å; Y389-Q392 VanDerWaalsContact O-N 3.16Å; Y389-M393 PolarHBondContact O-N 2.82Å; Y389-I452 HydrophobicContact CD2-CG2 3.59Å; Y389-I452 HydrophobicContact CE2-CB 4.4Å; Y389-I452 HydrophobicContact CE2-CG2 3.29Å; Y389-M518 HydrophobicContact CD1-CE 4.2Å; Y389-M518 HydrophobicContact CE1-CE 3.21Å; Y389-M518 WeakPolarHBondContact OH-CE 3.32Å; Y389-Y554 HydrophobicContact CG-CE1 4.26Å
390T77.9Confident75Confident49 Ų4964.7 Ų64.730%0.30135%0.35SS..Hα-helixtrans-58.6-42.6-179.7-51.50000111.4A386 N394A386-T390 PolarHBondContact O-N 3.45Å; A386-T390 PolarHBondContact O-OG1 3Å; T390-N394 WeakPolarHBondContact O-CB 3.3Å; T390-N394 PolarHBondContact O-N 3.4Å; T390-N394 PolarHBondContact O-ND2 3.33Å; T390-N394 PolarHBondContact O-OD1 2.91Å
391R82.7Confident77.1Confident96 Ų9662 Ų6236%0.36233%0.327SS..Hα-helixtrans-64.7-41.9177.9179.6176.5161.9167.6-3.4112.7D367 N387 Y389 N394 L395D367-R391 IonicContact OD1-CZ 3.57Å; D367-R391 IonicContact OD1-NE 3.48Å; D367-R391 PolarHBondContact OD1-NE 3.39Å; D367-R391 IonicContact OD1-NH2 2.78Å; D367-R391 PolarHBondContact OD1-NH2 3.2Å; D367-R391 IonicContact OD2-NH2 4Å; N387-R391 WeakPolarHBondContact O-CB 3.43Å; N387-R391 PolarHBondContact O-N 3.25Å; Y389-R391 VanDerWaalsContact C-N 3.3Å; Y389-R391 PolarHBondContact O-N 3.17Å; R391-N394 PolarHBondContact O-N 3.21Å; R391-L395 PolarHBondContact O-N 2.68Å
392Q85.2Confident79.3Confident13 Ų1360 Ų606%0.06132%0.315CS..Hα-helixtrans-69-42.6179.3-75.3-17677.300111.9S187 D189 L388 Y389 N394 L395 L396S187-Q392 PolarHBondContact OG-NE2 3.45Å; S187-Q392 PolarHBondContact OG-OE1 3.12Å; D189-Q392 PolarHBondContact OD2-NE2 3.05Å; L388-Q392 WeakPolarHBondContact O-CG 3.47Å; L388-Q392 PolarHBondContact O-N 3.48Å; L388-Q392 VanDerWaalsContact O-N 3.07Å; Y389-Q392 PolarHBondContact O-N 2.92Å; Y389-Q392 VanDerWaalsContact O-N 3.16Å; Q392-N394 VanDerWaalsContact C-N 3.34Å; Q392-N394 PolarHBondContact O-N 2.94Å; Q392-L395 WeakPolarHBondContact O-CB 3.34Å; Q392-L395 PolarHBondContact O-N 3.49Å; Q392-L396 WeakPolarHBondContact O-CG 3.31Å; Q392-L396 PolarHBondContact O-N 3.13Å
393M89.4Confident81.5Confident1 Ų150 Ų501%0.00527%0.272CS..Hα-helixtrans-60.9-45.3174.1-170.267.687.600110.9Y389 L395 L396 I397 M449 S453 M518Y389-M393 PolarHBondContact O-N 2.82Å; M393-L395 VanDerWaalsContact C-N 3.28Å; M393-L395 PolarHBondContact O-N 3.16Å; M393-L396 WeakPolarHBondContact O-CB 3.19Å; M393-L396 PolarHBondContact O-N 2.98Å; M393-L396 VanDerWaalsContact O-N 3.09Å; M393-I397 HydrophobicContact CG-CD1 3.8Å; M393-I397 HydrophobicContact CG-CG1 4.31Å; M393-I397 VanDerWaalsContact O-CG1 3.29Å; M393-I397 WeakPolarHBondContact O-CG1 3.13Å; M393-I397 PolarHBondContact O-N 2.85Å; M393-M449 HydrophobicContact CE-CB 4.39Å; M393-M449 HydrophobicContact SD-CB 3.94Å; M393-M449 HydrophobicContact SD-CE 3.88Å; M393-M449 HydrophobicContact SD-CG 3.68Å; M393-S453 WeakPolarHBondContact CE-OG 3.4Å; M393-M518 HydrophobicContact CB-CE 4.07Å; M393-M518 HydrophobicContact CE-CE 4.07Å; M393-M518 HydrophobicContact CE-SD 4.37Å; M393-M518 HydrophobicContact CG-CE 3.75Å; M393-M518 HydrophobicContact CG-SD 3.69Å
394N91.3Very high83.9Confident63 Ų6342.5 Ų42.534%0.33724%0.238SC..Hα-helixtrans-61.2-34.9177-71.1-8.4000112.9T390 R391 Q392 T398T390-N394 WeakPolarHBondContact O-CB 3.3Å; T390-N394 PolarHBondContact O-N 3.4Å; T390-N394 PolarHBondContact O-ND2 3.33Å; T390-N394 PolarHBondContact O-OD1 2.91Å; R391-N394 PolarHBondContact O-N 3.21Å; Q392-N394 VanDerWaalsContact C-N 3.34Å; Q392-N394 PolarHBondContact O-N 2.94Å; N394-T398 WeakPolarHBondContact O-CB 3.37Å; N394-T398 PolarHBondContact O-N 3.43Å; N394-T398 PolarHBondContact O-OG1 2.73Å
395L93Very high85.9Confident40 Ų4043.1 Ų43.121%0.20923%0.234CC..Hα-helixtrans-62.9-47.9172.8177.167.7000110.9W193 I363 D367 R391 Q392 M393 T398 V399W193-L395 HydrophobicContact CZ3-CD2 4.31Å; I363-L395 HydrophobicContact CG2-CD1 4.2Å; I363-L395 HydrophobicContact CG2-CD2 4.47Å; D367-L395 HydrophobicContact CB-CD2 4.2Å; R391-L395 PolarHBondContact O-N 2.68Å; Q392-L395 WeakPolarHBondContact O-CB 3.34Å; Q392-L395 PolarHBondContact O-N 3.49Å; M393-L395 VanDerWaalsContact C-N 3.28Å; M393-L395 PolarHBondContact O-N 3.16Å; L395-T398 PolarHBondContact O-N 3.28Å; L395-V399 HydrophobicContact CD1-CG2 4.31Å; L395-V399 VanDerWaalsContact O-CG2 3.3Å; L395-V399 WeakPolarHBondContact O-CG2 3.3Å; L395-V399 PolarHBondContact O-N 3.22Å
396L95.1Very high87.9Confident6 Ų641.9 Ų41.93%0.03123%0.229CC..Hα-helixtrans-60.8-47.2178.8-68.2172.5000111.4W193 Q392 M393 T398 V399 F400 I445 T448 M449 I452W193-L396 HydrophobicContact CD2-CD2 3.78Å; W193-L396 HydrophobicContact CE3-CD2 3.87Å; W193-L396 HydrophobicContact CG-CD2 4.22Å; W193-L396 HydrophobicContact CH2-CD2 4.47Å; W193-L396 HydrophobicContact CZ2-CD2 4.38Å; W193-L396 HydrophobicContact CZ3-CD2 4.23Å; Q392-L396 WeakPolarHBondContact O-CG 3.31Å; Q392-L396 PolarHBondContact O-N 3.13Å; M393-L396 WeakPolarHBondContact O-CB 3.19Å; M393-L396 PolarHBondContact O-N 2.98Å; M393-L396 VanDerWaalsContact O-N 3.09Å; L396-T398 PolarHBondContact O-N 2.96Å; L396-V399 PolarHBondContact O-N 3.21Å; L396-F400 VanDerWaalsContact O-CB 3.28Å; L396-F400 WeakPolarHBondContact O-CB 3.36Å; L396-F400 PolarHBondContact O-N 3.31Å; L396-I445 HydrophobicContact CB-CG2 4.03Å; L396-I445 HydrophobicContact CD2-CG2 4.22Å; L396-T448 HydrophobicContact CD1-CG2 3.62Å; L396-T448 HydrophobicContact CD2-CG2 4.24Å; L396-M449 HydrophobicContact CB-CG 3.86Å; L396-M449 HydrophobicContact CB-SD 4.24Å; L396-M449 HydrophobicContact CD1-CG 3.86Å; L396-M449 HydrophobicContact CG-CG 4.47Å; L396-I452 HydrophobicContact CD1-CD1 3.81Å
397I95.5Very high89.7Confident7 Ų739.2 Ų39.24%0.03621%0.207CC..Hα-helixtrans-57-47.7175.3-68.5170.7000110.6M393 V399 F400 A401 M449 D511 L514 P515M393-I397 HydrophobicContact CG-CD1 3.8Å; M393-I397 HydrophobicContact CG-CG1 4.31Å; M393-I397 VanDerWaalsContact O-CG1 3.29Å; M393-I397 WeakPolarHBondContact O-CG1 3.13Å; M393-I397 PolarHBondContact O-N 2.85Å; I397-V399 PolarHBondContact O-N 2.88Å; I397-F400 PolarHBondContact O-N 3.19Å; I397-A401 VanDerWaalsContact O-CB 3.32Å; I397-A401 WeakPolarHBondContact O-CB 3.4Å; I397-A401 PolarHBondContact O-N 2.93Å; I397-M449 HydrophobicContact CD1-CE 4.33Å; I397-M449 HydrophobicContact CG1-CE 3.56Å; I397-D511 VanDerWaalsContact O-OD2 3.11Å; I397-L514 HydrophobicContact CD1-CB 4.27Å; I397-L514 HydrophobicContact CD1-CD2 4.05Å; I397-L514 HydrophobicContact CD1-CG 4.44Å; I397-L514 HydrophobicContact CG1-CD2 4.38Å; I397-P515 HydrophobicContact CD1-CG 3.63Å; I397-P515 HydrophobicContact CG2-CG 4.43Å
398T95.5Very high91.2Very high86 Ų8635.6 Ų35.653%0.52819%0.187SC..Hα-helixtrans-62.2-43.6-179.8-54.50000111.8N394 L395 L396 F400 V402N394-T398 WeakPolarHBondContact O-CB 3.37Å; N394-T398 PolarHBondContact O-N 3.43Å; N394-T398 PolarHBondContact O-OG1 2.73Å; L395-T398 PolarHBondContact O-N 3.28Å; L396-T398 PolarHBondContact O-N 2.96Å; T398-F400 VanDerWaalsContact C-N 3.35Å; T398-V402 VanDerWaalsContact O-CG2 3.29Å; T398-V402 WeakPolarHBondContact O-CG2 3.24Å; T398-V402 PolarHBondContact O-N 3.47Å
399V96.2Very high92.6Very high21 Ų2136.4 Ų36.413%0.12719%0.194CC..Hα-helixtrans-69.3-36.5178.8-179.70000110.8W193 I363 L395 L396 I397 S403 I445W193-V399 HydrophobicContact CH2-CG1 4.48Å; W193-V399 HydrophobicContact CH2-CG2 4.34Å; W193-V399 HydrophobicContact CZ2-CG1 4.34Å; I363-V399 HydrophobicContact CD1-CG1 4.24Å; I363-V399 HydrophobicContact CD1-CG2 4.34Å; I363-V399 HydrophobicContact CG2-CG2 4.4Å; L395-V399 HydrophobicContact CD1-CG2 4.31Å; L395-V399 VanDerWaalsContact O-CG2 3.3Å; L395-V399 WeakPolarHBondContact O-CG2 3.3Å; L395-V399 PolarHBondContact O-N 3.22Å; L396-V399 PolarHBondContact O-N 3.21Å; I397-V399 PolarHBondContact O-N 2.88Å; V399-S403 WeakPolarHBondContact O-CB 3.4Å; V399-S403 PolarHBondContact O-N 3.13Å; V399-S403 PolarHBondContact O-OG 3.31Å; V399-I445 HydrophobicContact CB-CD1 4.06Å; V399-I445 HydrophobicContact CG1-CD1 3.55Å
400F96.9Very high93.7Very high1 Ų135.4 Ų35.40%0.00419%0.19CC..Hα-helixtrans-64-50.5175.5-169.7-99.2000111.2M310 L396 I397 T398 V402 S403 I404 L442 I445 I446 T507 D511M310-F400 HydrophobicContact CE-CD1 3.78Å; M310-F400 HydrophobicContact CE-CE1 3.5Å; M310-F400 HydrophobicContact CE-CG 4.49Å; M310-F400 HydrophobicContact CE-CZ 4.03Å; L396-F400 VanDerWaalsContact O-CB 3.28Å; L396-F400 WeakPolarHBondContact O-CB 3.36Å; L396-F400 PolarHBondContact O-N 3.31Å; I397-F400 PolarHBondContact O-N 3.19Å; T398-F400 VanDerWaalsContact C-N 3.35Å; F400-V402 PolarHBondContact O-N 3.49Å; F400-S403 CarbonylContact O-C 3.17Å; F400-S403 WeakPolarHBondContact O-CA 3.32Å; F400-S403 WeakPolarHBondContact O-CB 3.28Å; F400-S403 PolarHBondContact O-N 2.67Å; F400-I404 HydrophobicContact CD1-CG1 3.94Å; F400-I404 HydrophobicContact CE1-CD1 4.04Å; F400-I404 HydrophobicContact CE1-CG1 3.51Å; F400-I404 HydrophobicContact CE2-CG1 4.43Å; F400-I404 HydrophobicContact CZ-CD1 3.84Å; F400-I404 HydrophobicContact CZ-CG1 3.77Å; F400-I404 PolarHBondContact O-N 3.37Å; F400-L442 HydrophobicContact CD2-CD2 3.79Å; F400-L442 HydrophobicContact CE2-CB 4.03Å; F400-L442 HydrophobicContact CE2-CD2 3.42Å; F400-L442 VanDerWaalsContact CE2-CD2 3.42Å; F400-L442 HydrophobicContact CE2-CG 4.31Å; F400-L442 HydrophobicContact CZ-CD2 4.01Å; F400-I445 HydrophobicContact CB-CG2 3.86Å; F400-I445 HydrophobicContact CD2-CB 4.21Å; F400-I445 HydrophobicContact CD2-CG2 3.96Å; F400-I445 HydrophobicContact CG-CG2 4.3Å; F400-I446 HydrophobicContact CD2-CG1 3.96Å; F400-I446 HydrophobicContact CE2-CD1 3.45Å; F400-I446 VanDerWaalsContact CE2-CD1 3.45Å; F400-I446 HydrophobicContact CE2-CG1 3.34Å; F400-I446 HydrophobicContact CZ-CD1 3.58Å; F400-I446 HydrophobicContact CZ-CG1 3.83Å; F400-T507 HydrophobicContact CE1-CG2 4.12Å; F400-T507 HydrophobicContact CZ-CG2 4.29Å; F400-D511 HydrophobicContact CD1-CB 4Å; F400-D511 VanDerWaalsContact CD1-CG 3.48Å; F400-D511 HydrophobicContact CE1-CB 4.31Å
401A97.3Very high94.6Very high9 Ų933.2 Ų33.27%0.07418%0.177CC..Hα-helixtrans-55.4-46.8176.200000112.2I397 S403 I404 I405 L508 L512I397-A401 VanDerWaalsContact O-CB 3.32Å; I397-A401 WeakPolarHBondContact O-CB 3.4Å; I397-A401 PolarHBondContact O-N 2.93Å; A401-S403 VanDerWaalsContact C-N 3.3Å; A401-S403 PolarHBondContact O-N 3.42Å; A401-I404 PolarHBondContact O-N 3.27Å; A401-I405 WeakPolarHBondContact O-CB 3.27Å; A401-I405 WeakPolarHBondContact O-CD1 3.45Å; A401-I405 WeakPolarHBondContact O-CG1 3.47Å; A401-I405 PolarHBondContact O-N 3.37Å; A401-L508 HydrophobicContact CB-CD1 3.66Å; A401-L512 HydrophobicContact CB-CD2 4.35Å
402V97.1Very high95.2Very high78 Ų7831.3 Ų31.347%0.47318%0.178SC..Hα-helixtrans-60.9-41.1175.5170.40000111.1T398 F400 I405 M406T398-V402 VanDerWaalsContact O-CG2 3.29Å; T398-V402 WeakPolarHBondContact O-CG2 3.24Å; T398-V402 PolarHBondContact O-N 3.47Å; F400-V402 PolarHBondContact O-N 3.49Å; V402-I405 PolarHBondContact O-N 3.35Å; V402-M406 WeakPolarHBondContact O-CB 3.46Å; V402-M406 VanDerWaalsContact O-CG 3.3Å; V402-M406 WeakPolarHBondContact O-CG 3.29Å; V402-M406 PolarHBondContact O-N 3.09Å
403S96.4Very high95.7Very high4 Ų432.6 Ų32.63%0.02819%0.187CC..Hα-helixtrans-65.7-42.3178.5-55.20000111.9V399 F400 A401 M406 L407 T438V399-S403 WeakPolarHBondContact O-CB 3.4Å; V399-S403 PolarHBondContact O-N 3.13Å; V399-S403 PolarHBondContact O-OG 3.31Å; F400-S403 CarbonylContact O-C 3.17Å; F400-S403 WeakPolarHBondContact O-CA 3.32Å; F400-S403 WeakPolarHBondContact O-CB 3.28Å; F400-S403 PolarHBondContact O-N 2.67Å; A401-S403 VanDerWaalsContact C-N 3.3Å; A401-S403 PolarHBondContact O-N 3.42Å; S403-M406 PolarHBondContact O-N 3.07Å; S403-L407 PolarHBondContact O-N 2.94Å; S403-T438 PolarHBondContact O-OG1 2.97Å
404I96.8Very high96Very high0 Ų032.8 Ų32.80%019%0.188CC..Hα-helixtrans-66.2-43176-68.4-66.9000111.2F400 A401 M406 L407 M408 L442 M504 L508F400-I404 HydrophobicContact CD1-CG1 3.94Å; F400-I404 HydrophobicContact CE1-CD1 4.04Å; F400-I404 HydrophobicContact CE1-CG1 3.51Å; F400-I404 HydrophobicContact CE2-CG1 4.43Å; F400-I404 HydrophobicContact CZ-CD1 3.84Å; F400-I404 HydrophobicContact CZ-CG1 3.77Å; F400-I404 PolarHBondContact O-N 3.37Å; A401-I404 PolarHBondContact O-N 3.27Å; I404-M406 VanDerWaalsContact C-N 3.33Å; I404-M406 PolarHBondContact O-N 2.87Å; I404-L407 CarbonylContact O-C 3.49Å; I404-L407 PolarHBondContact O-N 3.49Å; I404-L407 VanDerWaalsContact O-N 3.12Å; I404-M408 HydrophobicContact CG2-CG 4.38Å; I404-M408 HydrophobicContact CG2-SD 4.1Å; I404-M408 VanDerWaalsContact O-CG 3.31Å; I404-M408 WeakPolarHBondContact O-CG 3.22Å; I404-M408 PolarHBondContact O-N 3Å; I404-L442 HydrophobicContact CD1-CD1 4.02Å; I404-L442 HydrophobicContact CD1-CD2 3.6Å; I404-L442 HydrophobicContact CD1-CG 4.49Å; I404-L442 HydrophobicContact CG1-CD2 3.88Å; I404-M504 HydrophobicContact CG2-CB 4.18Å; I404-L508 HydrophobicContact CB-CD1 4.49Å; I404-L508 HydrophobicContact CG2-CB 3.95Å; I404-L508 HydrophobicContact CG2-CD1 4.4Å
405I97.8Very high96.2Very high85 Ų8530 Ų3044%0.43618%0.175SC..Hα-helixtrans-60.2-45.2176.4-69.6164.4000110.4A401 V402 L407 M408 V409 L508A401-I405 WeakPolarHBondContact O-CB 3.27Å; A401-I405 WeakPolarHBondContact O-CD1 3.45Å; A401-I405 WeakPolarHBondContact O-CG1 3.47Å; A401-I405 PolarHBondContact O-N 3.37Å; V402-I405 PolarHBondContact O-N 3.35Å; I405-L407 VanDerWaalsContact C-N 3.32Å; I405-L407 PolarHBondContact O-N 3.17Å; I405-M408 WeakPolarHBondContact O-CB 3.17Å; I405-M408 PolarHBondContact O-N 2.82Å; I405-V409 WeakPolarHBondContact O-CG2 3.42Å; I405-V409 PolarHBondContact O-N 2.96Å; I405-L508 HydrophobicContact CD1-CD2 4.36Å; I405-L508 HydrophobicContact CG1-CD1 4.31Å; I405-L508 HydrophobicContact CG1-CD2 3.84Å
406M96.9Very high96.3Very high83 Ų8332 Ų3241%0.40919%0.188SC..Hα-helixtrans-58.7-44.7174-75-66.9-151.100111.1V402 S403 I404 M408 V409 N410 P435 T438V402-M406 WeakPolarHBondContact O-CB 3.46Å; V402-M406 VanDerWaalsContact O-CG 3.3Å; V402-M406 WeakPolarHBondContact O-CG 3.29Å; V402-M406 PolarHBondContact O-N 3.09Å; S403-M406 PolarHBondContact O-N 3.07Å; I404-M406 VanDerWaalsContact C-N 3.33Å; I404-M406 PolarHBondContact O-N 2.87Å; M406-M408 VanDerWaalsContact C-N 3.32Å; M406-M408 PolarHBondContact O-N 3.04Å; M406-V409 WeakPolarHBondContact O-CB 3.48Å; M406-V409 PolarHBondContact O-N 3.3Å; M406-V409 VanDerWaalsContact O-N 3.16Å; M406-N410 PolarHBondContact O-N 3.45Å; M406-P435 HydrophobicContact CB-CB 4.09Å; M406-P435 WeakPolarHBondContact O-CB 3.24Å; M406-P435 HydrophobicContact SD-CB 4.1Å; M406-T438 HydrophobicContact CB-CG2 3.85Å; M406-T438 WeakPolarHBondContact CB-OG1 3.42Å; M406-T438 HydrophobicContact CG-CG2 3.98Å
407L96.2Very high96.3Very high0 Ų031.7 Ų31.70%019%0.187CC..Hα-helixtrans-65.2-34.5177.8-148.473.2000112.8A318 S403 I404 I405 N410 R411 K439 L442 M504A318-L407 HydrophobicContact CB-CD2 3.58Å; S403-L407 PolarHBondContact O-N 2.94Å; I404-L407 CarbonylContact O-C 3.49Å; I404-L407 PolarHBondContact O-N 3.49Å; I404-L407 VanDerWaalsContact O-N 3.12Å; I405-L407 VanDerWaalsContact C-N 3.32Å; I405-L407 PolarHBondContact O-N 3.17Å; L407-N410 WeakPolarHBondContact O-CB 3.43Å; L407-N410 PolarHBondContact O-N 3.2Å; L407-R411 WeakPolarHBondContact O-CG 3.23Å; L407-R411 PolarHBondContact O-N 2.89Å; L407-K439 HydrophobicContact CD1-CB 3.95Å; L407-L442 HydrophobicContact CD2-CD1 4Å; L407-M504 HydrophobicContact CB-SD 3.91Å; L407-M504 HydrophobicContact CD2-SD 3.66Å; L407-M504 HydrophobicContact CG-SD 3.92Å
408M97.3Very high96.2Very high31 Ų3133 Ų3315%0.15319%0.191CC..Hα-helixtrans-63.1-42.8171.6-69.7170.568.400111.8I404 I405 M406 R411 S412 V501 M504 L505 L508I404-M408 HydrophobicContact CG2-CG 4.38Å; I404-M408 HydrophobicContact CG2-SD 4.1Å; I404-M408 VanDerWaalsContact O-CG 3.31Å; I404-M408 WeakPolarHBondContact O-CG 3.22Å; I404-M408 PolarHBondContact O-N 3Å; I405-M408 WeakPolarHBondContact O-CB 3.17Å; I405-M408 PolarHBondContact O-N 2.82Å; M406-M408 VanDerWaalsContact C-N 3.32Å; M406-M408 PolarHBondContact O-N 3.04Å; M408-R411 PolarHBondContact O-N 2.94Å; M408-S412 WeakPolarHBondContact O-CB 3.31Å; M408-S412 PolarHBondContact O-N 3.05Å; M408-S412 PolarHBondContact O-OG 3.43Å; M408-V501 HydrophobicContact CE-CG1 4.01Å; M408-M504 HydrophobicContact CB-CE 4.27Å; M408-M504 HydrophobicContact CG-CB 3.75Å; M408-M504 HydrophobicContact CG-CE 3.8Å; M408-M504 HydrophobicContact CG-SD 4.41Å; M408-M504 HydrophobicContact SD-CB 4.4Å; M408-L505 HydrophobicContact CE-CB 3.96Å; M408-L505 HydrophobicContact CE-CD1 4.05Å; M408-L508 HydrophobicContact SD-CD2 4.21Å
409V97.4Very high96.1Very high69 Ų6936.8 Ų36.842%0.41820%0.196SC..Hα-helixtrans-61.2-46.1173.9174.20000110.2I405 M406 R411 S412 V413 P435I405-V409 WeakPolarHBondContact O-CG2 3.42Å; I405-V409 PolarHBondContact O-N 2.96Å; M406-V409 WeakPolarHBondContact O-CB 3.48Å; M406-V409 PolarHBondContact O-N 3.3Å; M406-V409 VanDerWaalsContact O-N 3.16Å; V409-R411 PolarHBondContact O-N 2.96Å; V409-S412 PolarHBondContact O-N 3.49Å; V409-V413 HydrophobicContact CG1-CG2 4.3Å; V409-V413 VanDerWaalsContact O-CG2 3.31Å; V409-V413 WeakPolarHBondContact O-CG2 3.45Å; V409-V413 PolarHBondContact O-N 2.7Å; V409-P435 HydrophobicContact CG1-CG 4.34Å
410N95.7Very high96Very high1 Ų140.2 Ų40.21%0.00521%0.209CC..Hα-helixtrans-53.2-54.9174.5163.7-98000111.5M406 L407 S412 V413 V414 A432 P435 R436M406-N410 PolarHBondContact O-N 3.45Å; L407-N410 WeakPolarHBondContact O-CB 3.43Å; L407-N410 PolarHBondContact O-N 3.2Å; N410-S412 VanDerWaalsContact C-N 3.31Å; N410-S412 PolarHBondContact O-N 2.91Å; N410-V413 PolarHBondContact O-N 2.88Å; N410-V414 VanDerWaalsContact O-CG2 3.3Å; N410-V414 WeakPolarHBondContact O-CG2 3.4Å; N410-V414 PolarHBondContact O-N 3.43Å; N410-A432 PolarHBondContact ND2-O 2.89Å; N410-P435 HydrophobicContact CB-CB 4.14Å; N410-P435 HydrophobicContact CB-CG 4.07Å; N410-R436 HydrophobicContact CB-CB 4.49Å
411R95.9Very high95.8Very high3 Ų348.1 Ų48.11%0.01125%0.246CC..Hα-helixtrans-65.3-35.5-176.3-65.9-58.5-178.8-145-13.7112.8D321 L407 M408 V409 G415 V500 V501 M504D321-R411 IonicContact OD1-NH2 2.67Å; D321-R411 IonicContact OD2-CZ 3.42Å; D321-R411 IonicContact OD2-NH1 2.6Å; D321-R411 PolarHBondContact OD2-NH1 2.66Å; D321-R411 IonicContact OD2-NH2 3.87Å; D321-R411 PolarHBondContact OD2-NH2 2.97Å; L407-R411 WeakPolarHBondContact O-CG 3.23Å; L407-R411 PolarHBondContact O-N 2.89Å; M408-R411 PolarHBondContact O-N 2.94Å; V409-R411 PolarHBondContact O-N 2.96Å; R411-G415 PolarHBondContact O-N 3.32Å; R411-V500 HydrophobicContact CG-CG1 3.99Å; R411-V501 HydrophobicContact CB-CG2 3.6Å; R411-M504 HydrophobicContact CB-CE 3.92Å; R411-M504 HydrophobicContact CG-CE 3.53Å
412S96.2Very high95.5Very high56 Ų5652 Ų5239%0.39227%0.265SS..Hα-helixtrans-65.6-47.3176.4-56.60000111.3M408 V409 N410 G415 V416M408-S412 WeakPolarHBondContact O-CB 3.31Å; M408-S412 PolarHBondContact O-N 3.05Å; M408-S412 PolarHBondContact O-OG 3.43Å; V409-S412 PolarHBondContact O-N 3.49Å; N410-S412 VanDerWaalsContact C-N 3.31Å; N410-S412 PolarHBondContact O-N 2.91Å; S412-G415 PolarHBondContact O-N 3.4Å; S412-V416 WeakPolarHBondContact O-CG2 3.31Å; S412-V416 PolarHBondContact O-N 3.39Å; S412-V416 VanDerWaalsContact O-N 3.11Å
413V96.7Very high95.3Very high41 Ų4152.5 Ų52.525%0.24827%0.27CS..Hα-helixtrans-64.5-46178.6177.50000110.9V409 N410 G415 V416 A417 L428 A432V409-V413 HydrophobicContact CG1-CG2 4.3Å; V409-V413 VanDerWaalsContact O-CG2 3.31Å; V409-V413 WeakPolarHBondContact O-CG2 3.45Å; V409-V413 PolarHBondContact O-N 2.7Å; N410-V413 PolarHBondContact O-N 2.88Å; V413-G415 VanDerWaalsContact C-N 3.33Å; V413-G415 PolarHBondContact O-N 3.48Å; V413-V416 PolarHBondContact O-N 3.23Å; V413-A417 WeakPolarHBondContact O-CB 3.33Å; V413-A417 PolarHBondContact O-N 2.91Å; V413-L428 HydrophobicContact CG1-CB 4.15Å; V413-L428 HydrophobicContact CG1-CD2 4.25Å; V413-A432 HydrophobicContact CB-CB 3.93Å; V413-A432 HydrophobicContact CG1-CB 3.79Å
414V95.6Very high95.2Very high4 Ų455.4 Ų55.42%0.02429%0.288CS..Hα-helixtrans-60.5-43.8176.7174.60000110.9Y328 N410 V416 A417 I429 A432 F497Y328-V414 HydrophobicContact CD1-CG1 4.14Å; Y328-V414 HydrophobicContact CE1-CG1 3.71Å; Y328-V414 WeakPolarHBondContact CE1-O 3.32Å; Y328-V414 PolarHBondContact OH-O 3.37Å; N410-V414 VanDerWaalsContact O-CG2 3.3Å; N410-V414 WeakPolarHBondContact O-CG2 3.4Å; N410-V414 PolarHBondContact O-N 3.43Å; V414-V416 VanDerWaalsContact C-N 3.29Å; V414-V416 PolarHBondContact O-N 3.44Å; V414-A417 WeakPolarHBondContact O-CB 3.28Å; V414-A417 PolarHBondContact O-N 2.85Å; V414-I429 HydrophobicContact CB-CD1 4.3Å; V414-I429 HydrophobicContact CG1-CD1 4Å; V414-I429 HydrophobicContact CG2-CD1 4.12Å; V414-A432 HydrophobicContact CG2-CB 3.7Å; V414-F497 HydrophobicContact CB-CD1 4.38Å; V414-F497 HydrophobicContact CB-CE1 4.21Å; V414-F497 HydrophobicContact CG1-CD1 4.01Å; V414-F497 HydrophobicContact CG1-CE1 3.39Å; V414-F497 HydrophobicContact CG1-CE2 4.4Å; V414-F497 HydrophobicContact CG1-CZ 3.63Å
415G94.4Very high95.1Very high6 Ų655.4 Ų55.46%0.06229%0.288CS..Hα-helixtrans-67-24.6-178.700000114.7R411 S412 V413 Y418R411-G415 PolarHBondContact O-N 3.32Å; S412-G415 PolarHBondContact O-N 3.4Å; V413-G415 VanDerWaalsContact C-N 3.33Å; V413-G415 PolarHBondContact O-N 3.48Å; G415-Y418 VanDerWaalsContact O-CD1 3.24Å; G415-Y418 WeakPolarHBondContact O-CD1 3.26Å; G415-Y418 WeakPolarHBondContact O-CE1 3.31Å
416V95.3Very high94.9Very high81 Ų8153.2 Ų53.249%0.49128%0.277SS..Hα-helixtrans-94.3-19.9176.2-178.60000112S412 V413 V414 Y418 R419 F420S412-V416 WeakPolarHBondContact O-CG2 3.31Å; S412-V416 PolarHBondContact O-N 3.39Å; S412-V416 VanDerWaalsContact O-N 3.11Å; V413-V416 PolarHBondContact O-N 3.23Å; V414-V416 VanDerWaalsContact C-N 3.29Å; V414-V416 PolarHBondContact O-N 3.44Å; V416-Y418 PolarHBondContact O-N 3.1Å; V416-Y418 VanDerWaalsContact O-N 3.07Å; V416-R419 WeakPolarHBondContact O-CB 3.37Å; V416-R419 PolarHBondContact O-N 3.37Å; V416-F420 HydrophobicContact CG1-CE2 4.03Å
417A95.8Very high94.9Very high0 Ų053.4 Ų53.40%028%0.279CS..Hα-helixtrans-55.2-32.3-173.200000114.5F334 V413 V414 R419 F420 L428 I429F334-A417 HydrophobicContact CE1-CB 4.08Å; F334-A417 HydrophobicContact CZ-CB 3.73Å; V413-A417 WeakPolarHBondContact O-CB 3.33Å; V413-A417 PolarHBondContact O-N 2.91Å; V414-A417 WeakPolarHBondContact O-CB 3.28Å; V414-A417 PolarHBondContact O-N 2.85Å; A417-R419 PolarHBondContact O-N 3.03Å; A417-F420 PolarHBondContact O-N 3.45Å; A417-L428 HydrophobicContact CB-CB 3.96Å; A417-L428 HydrophobicContact CB-CD1 4.27Å; A417-I429 HydrophobicContact CB-CD1 3.69Å; A417-I429 HydrophobicContact CB-CG1 4.35Å
418Y92.9Very high94.9Very high35 Ų3555.1 Ų55.114%0.13729%0.288CS..THydrogen-bonded Turntrans-65.9-15.8178.581-83.9000114.1Y328 G415 V416 F420 F492 P493Y328-Y418 HydrophobicContact CE2-CD1 4.29Å; Y328-Y418 HydrophobicContact CE2-CG 4.45Å; Y328-Y418 WeakPolarHBondContact OH-CB 3.46Å; Y328-Y418 PolarHBondContact OH-N 3.34Å; G415-Y418 VanDerWaalsContact O-CD1 3.24Å; G415-Y418 WeakPolarHBondContact O-CD1 3.26Å; G415-Y418 WeakPolarHBondContact O-CE1 3.31Å; V416-Y418 PolarHBondContact O-N 3.1Å; V416-Y418 VanDerWaalsContact O-N 3.07Å; Y418-F420 PolarHBondContact O-N 3.49Å; Y418-F492 HydrophobicContact CE1-CE2 4.3Å; Y418-F492 WeakPolarHBondContact OH-CD2 3.49Å; Y418-F492 WeakPolarHBondContact OH-CE2 3.48Å; Y418-P493 HydrophobicContact CD1-CB 4.42Å; Y418-P493 HydrophobicContact CD2-CG 4.07Å; Y418-P493 HydrophobicContact CE2-CG 4.03Å; Y418-P493 HydrophobicContact CG-CB 4.43Å; Y418-P493 HydrophobicContact CG-CG 4.45Å
419R93.8Very high94.8Very high165 Ų16553.7 Ų53.762%0.62328%0.281SS*.THydrogen-bonded Turntrans-73.8-16.2177.3-68.6-71.5-173.9158.9-0.9113V416 A417V416-R419 WeakPolarHBondContact O-CB 3.37Å; V416-R419 PolarHBondContact O-N 3.37Å; A417-R419 PolarHBondContact O-N 3.03Å
420F94.4Very high94.7Very high93 Ų9357 Ų5741%0.40829%0.286SS..SBendtrans-96.9153-179.3-62.8-88.3000110.9V416 A417 Y418 T424 A425 L428V416-F420 HydrophobicContact CG1-CE2 4.03Å; A417-F420 PolarHBondContact O-N 3.45Å; Y418-F420 PolarHBondContact O-N 3.49Å; F420-T424 HydrophobicContact CB-CG2 4.08Å; F420-T424 HydrophobicContact CD1-CG2 4Å; F420-T424 HydrophobicContact CG-CG2 4.15Å; F420-A425 HydrophobicContact CB-CB 4.45Å; F420-L428 HydrophobicContact CB-CD1 4.38Å; F420-L428 HydrophobicContact CD2-CD1 3.22Å; F420-L428 HydrophobicContact CE2-CD1 3.48Å; F420-L428 VanDerWaalsContact CE2-CD1 3.48Å; F420-L428 HydrophobicContact CG-CD1 3.83Å; F420-L428 HydrophobicContact CZ-CD1 4.3Å
421Q92.1Very high94.7Very high167 Ų16761.3 Ų61.378%0.7831%0.309SS*.PPolyproline II helixtrans-80.3162171.9-66178.5-8.500110.9T424 A425Q421-T424 WeakPolarHBondContact O-CB 3.32Å; Q421-T424 PolarHBondContact O-N 2.9Å; Q421-A425 PolarHBondContact O-N 3.3Å; Q421-A425 VanDerWaalsContact O-N 3.1Å
422L90.8Very high94.7Very high89 Ų8961.2 Ų61.247%0.46631%0.309SS..THydrogen-bonded Turntrans-67.1141.2169.9-69.9171.3000109.8P333 A425 N426P333-L422 VanDerWaalsContact O-CD1 3.3Å; P333-L422 WeakPolarHBondContact O-CD1 3.38Å; L422-A425 HydrophobicContact CD2-CB 4.43Å; L422-N426 HydrophobicContact CD2-CB 4.43Å; L422-N426 WeakPolarHBondContact CD2-ND2 3.11Å
423P93.2Very high94.6Very high89 Ų8959.2 Ų59.258%0.57829%0.294SS*.THydrogen-bonded Turncis-88.2-8.46.734.8-35.8000114.8A425 N426 I427P423-A425 VanDerWaalsContact C-N 3.28Å; P423-A425 PolarHBondContact O-N 3.24Å; P423-N426 PolarHBondContact O-N 3.47Å; P423-I427 HydrophobicContact CB-CD1 4.49Å; P423-I427 PolarHBondContact O-N 3.27Å; P423-I427 VanDerWaalsContact O-N 3.16Å
424T94.8Very high94.6Very high66 Ų6663.1 Ų63.141%0.40531%0.313SS..Hα-helixtrans-56-40-174-52.20000112.8F420 Q421 N426 I427 L428F420-T424 HydrophobicContact CB-CG2 4.08Å; F420-T424 HydrophobicContact CD1-CG2 4Å; F420-T424 HydrophobicContact CG-CG2 4.15Å; Q421-T424 WeakPolarHBondContact O-CB 3.32Å; Q421-T424 PolarHBondContact O-N 2.9Å; T424-N426 VanDerWaalsContact C-N 3.35Å; T424-N426 PolarHBondContact O-N 2.91Å; T424-I427 PolarHBondContact O-N 3.38Å; T424-L428 HydrophobicContact CG2-CD1 4.44Å; T424-L428 WeakPolarHBondContact O-CG 3.46Å; T424-L428 PolarHBondContact O-N 3.37Å
425A93.7Very high94.6Very high0 Ų063.6 Ų63.60%032%0.316CS..Hα-helixtrans-55-48176.100000112.2P333 F334 F420 Q421 L422 P423 L428 I429P333-A425 HydrophobicContact CG-CB 4.1Å; F334-A425 HydrophobicContact CD1-CB 4.1Å; F334-A425 HydrophobicContact CE1-CB 3.66Å; F334-A425 HydrophobicContact CZ-CB 4.36Å; F420-A425 HydrophobicContact CB-CB 4.45Å; Q421-A425 PolarHBondContact O-N 3.3Å; Q421-A425 VanDerWaalsContact O-N 3.1Å; L422-A425 HydrophobicContact CD2-CB 4.43Å; P423-A425 VanDerWaalsContact C-N 3.28Å; P423-A425 PolarHBondContact O-N 3.24Å; A425-L428 PolarHBondContact O-N 2.93Å; A425-I429 PolarHBondContact O-N 3.39Å
426N94.6Very high94.6Very high38 Ų3863.6 Ų63.620%0.20331%0.314CS..Hα-helixtrans-66.2-41.1178.6-75-12.1000111.9W336 L422 P423 T424 L428 I429 Y430W336-N426 PolarHBondContact NE1-OD1 2.97Å; L422-N426 HydrophobicContact CD2-CB 4.43Å; L422-N426 WeakPolarHBondContact CD2-ND2 3.11Å; P423-N426 PolarHBondContact O-N 3.47Å; T424-N426 VanDerWaalsContact C-N 3.35Å; T424-N426 PolarHBondContact O-N 2.91Å; N426-L428 VanDerWaalsContact C-N 3.26Å; N426-L428 PolarHBondContact O-N 3.37Å; N426-I429 PolarHBondContact O-N 2.9Å; N426-I429 VanDerWaalsContact O-N 3.13Å; N426-Y430 HydrophobicContact CB-CE2 4.3Å; N426-Y430 WeakPolarHBondContact O-CD2 3.47Å; N426-Y430 PolarHBondContact O-N 3.29Å
427I95.7Very high94.5Very high87 Ų8761.3 Ų61.345%0.44630%0.299SS..Hα-helixtrans-58.2-41.9177.4-65.2169.8000110.3P423 T424 I429 Y430 I431P423-I427 HydrophobicContact CB-CD1 4.49Å; P423-I427 PolarHBondContact O-N 3.27Å; P423-I427 VanDerWaalsContact O-N 3.16Å; T424-I427 PolarHBondContact O-N 3.38Å; I427-I429 PolarHBondContact O-N 3.44Å; I427-Y430 PolarHBondContact O-N 2.98Å; I427-I431 HydrophobicContact CG2-CD1 3.7Å; I427-I431 HydrophobicContact CG2-CG1 4.27Å; I427-I431 VanDerWaalsContact O-CG1 3.31Å; I427-I431 WeakPolarHBondContact O-CG1 3.38Å; I427-I431 PolarHBondContact O-N 3.41Å
428L96.7Very high94.4Very high37 Ų3762.4 Ų62.419%0.19431%0.306CS..Hα-helixtrans-62.6-39.1176.6-70.2172.4000112.7V413 A417 F420 T424 A425 N426 I431 A432V413-L428 HydrophobicContact CG1-CB 4.15Å; V413-L428 HydrophobicContact CG1-CD2 4.25Å; A417-L428 HydrophobicContact CB-CB 3.96Å; A417-L428 HydrophobicContact CB-CD1 4.27Å; F420-L428 HydrophobicContact CB-CD1 4.38Å; F420-L428 HydrophobicContact CD2-CD1 3.22Å; F420-L428 HydrophobicContact CE2-CD1 3.48Å; F420-L428 VanDerWaalsContact CE2-CD1 3.48Å; F420-L428 HydrophobicContact CG-CD1 3.83Å; F420-L428 HydrophobicContact CZ-CD1 4.3Å; T424-L428 HydrophobicContact CG2-CD1 4.44Å; T424-L428 WeakPolarHBondContact O-CG 3.46Å; T424-L428 PolarHBondContact O-N 3.37Å; A425-L428 PolarHBondContact O-N 2.93Å; N426-L428 VanDerWaalsContact C-N 3.26Å; N426-L428 PolarHBondContact O-N 3.37Å; L428-I431 PolarHBondContact O-N 3.18Å; L428-A432 VanDerWaalsContact O-CB 3.23Å; L428-A432 WeakPolarHBondContact O-CB 3.44Å; L428-A432 PolarHBondContact O-N 3Å
429I95.9Very high94.4Very high1 Ų162.2 Ų62.21%0.00531%0.306CS..Hα-helixtrans-63.9-44.5175.2-58.9-57000110.9Y328 L329 F334 W336 Y344 V414 A417 A425 N426 I427 A432 S433Y328-I429 HydrophobicContact CE1-CD1 4.45Å; L329-I429 HydrophobicContact CD2-CD1 3.95Å; L329-I429 HydrophobicContact CD2-CG1 3.9Å; L329-I429 HydrophobicContact CD2-CG2 4.05Å; F334-I429 HydrophobicContact CD1-CG1 4.05Å; F334-I429 HydrophobicContact CE1-CD1 3.89Å; F334-I429 HydrophobicContact CE1-CG1 3.5Å; F334-I429 HydrophobicContact CZ-CD1 4.04Å; F334-I429 HydrophobicContact CZ-CG1 4.18Å; W336-I429 HydrophobicContact CH2-CB 4.43Å; W336-I429 HydrophobicContact CH2-CG2 3.73Å; W336-I429 HydrophobicContact CZ2-CB 4.46Å; W336-I429 HydrophobicContact CZ2-CG2 4.21Å; W336-I429 HydrophobicContact CZ3-CG2 4.45Å; Y344-I429 HydrophobicContact CE2-CG2 4.27Å; V414-I429 HydrophobicContact CB-CD1 4.3Å; V414-I429 HydrophobicContact CG1-CD1 4Å; V414-I429 HydrophobicContact CG2-CD1 4.12Å; A417-I429 HydrophobicContact CB-CD1 3.69Å; A417-I429 HydrophobicContact CB-CG1 4.35Å; A425-I429 PolarHBondContact O-N 3.39Å; N426-I429 PolarHBondContact O-N 2.9Å; N426-I429 VanDerWaalsContact O-N 3.13Å; I427-I429 PolarHBondContact O-N 3.44Å; I429-A432 PolarHBondContact O-N 3.42Å; I429-S433 PolarHBondContact O-N 3.43Å; I429-S433 VanDerWaalsContact O-N 3.16Å; I429-S433 PolarHBondContact O-OG 3.03Å
430Y95.1Very high94.3Very high137 Ų13755 Ų5554%0.53728%0.281SS..Hα-helixtrans-64.2-42.8176.7-68.8-59.2000112.1W336 N426 I427 A432 S433W336-Y430 HydrophobicContact CH2-CE1 4.11Å; W336-Y430 HydrophobicContact CZ2-CE2 4.29Å; N426-Y430 HydrophobicContact CB-CE2 4.3Å; N426-Y430 WeakPolarHBondContact O-CD2 3.47Å; N426-Y430 PolarHBondContact O-N 3.29Å; I427-Y430 PolarHBondContact O-N 2.98Å; Y430-A432 PolarHBondContact O-N 3.28Å; Y430-S433 WeakPolarHBondContact O-CB 3.39Å; Y430-S433 PolarHBondContact O-N 2.88Å; Y430-S433 VanDerWaalsContact O-N 3.11Å; Y430-S433 PolarHBondContact O-OG 3.25Å
431I95.5Very high94.3Very high93 Ų9351.2 Ų51.248%0.47726%0.264SS..Hα-helixtrans-61.4-44.5174.1-69.4170.7000110.8I427 L428 S433 I434 P435I427-I431 HydrophobicContact CG2-CD1 3.7Å; I427-I431 HydrophobicContact CG2-CG1 4.27Å; I427-I431 VanDerWaalsContact O-CG1 3.31Å; I427-I431 WeakPolarHBondContact O-CG1 3.38Å; I427-I431 PolarHBondContact O-N 3.41Å; L428-I431 PolarHBondContact O-N 3.18Å; I431-S433 PolarHBondContact O-N 3.48Å; I431-I434 PolarHBondContact O-N 2.92Å; I431-P435 WeakPolarHBondContact O-CD 3.48Å
432A96Very high94.4Very high1 Ų143.7 Ų43.71%0.00823%0.229CC..Hα-helixtrans-62.5-16.317800000112.9N410 V413 V414 L428 I429 Y430 I434 P435 R436N410-A432 PolarHBondContact ND2-O 2.89Å; V413-A432 HydrophobicContact CB-CB 3.93Å; V413-A432 HydrophobicContact CG1-CB 3.79Å; V414-A432 HydrophobicContact CG2-CB 3.7Å; L428-A432 VanDerWaalsContact O-CB 3.23Å; L428-A432 WeakPolarHBondContact O-CB 3.44Å; L428-A432 PolarHBondContact O-N 3Å; I429-A432 PolarHBondContact O-N 3.42Å; Y430-A432 PolarHBondContact O-N 3.28Å; A432-I434 VanDerWaalsContact C-N 3.31Å; A432-I434 PolarHBondContact O-N 2.83Å; A432-P435 VanDerWaalsContact O-CD 3.3Å; A432-P435 WeakPolarHBondContact O-CD 3.36Å; A432-P435 VanDerWaalsContact O-CG 3.3Å; A432-P435 WeakPolarHBondContact O-CG 3.35Å; A432-R436 PolarHBondContact O-N 3.13Å
433S94.5Very high94.5Very high13 Ų1340.7 Ų40.79%0.09121%0.214CC..Hα-helixtrans-73.6-24.8179.8-54.40000112.8Y344 I429 Y430 I431 R436 L437Y344-S433 WeakPolarHBondContact CE2-OG 3.31Å; Y344-S433 PolarHBondContact OH-OG 3.48Å; I429-S433 PolarHBondContact O-N 3.43Å; I429-S433 VanDerWaalsContact O-N 3.16Å; I429-S433 PolarHBondContact O-OG 3.03Å; Y430-S433 WeakPolarHBondContact O-CB 3.39Å; Y430-S433 PolarHBondContact O-N 2.88Å; Y430-S433 VanDerWaalsContact O-N 3.11Å; Y430-S433 PolarHBondContact O-OG 3.25Å; I431-S433 PolarHBondContact O-N 3.48Å; S433-R436 WeakPolarHBondContact O-CB 3.38Å; S433-R436 PolarHBondContact O-N 3.26Å; S433-L437 WeakPolarHBondContact O-CG 3.44Å; S433-L437 PolarHBondContact O-N 3.38Å
434I95.4Very high94.7Very high123 Ų12336.5 Ų36.563%0.63119%0.187SC*.Hα-helixtrans-61.7-55.5175.3-60171.7000111.1I431 A432 R436 L437I431-I434 PolarHBondContact O-N 2.92Å; A432-I434 VanDerWaalsContact C-N 3.31Å; A432-I434 PolarHBondContact O-N 2.83Å; I434-R436 PolarHBondContact O-N 3.18Å; I434-L437 WeakPolarHBondContact O-CB 3.35Å; I434-L437 WeakPolarHBondContact O-CG 3.31Å; I434-L437 PolarHBondContact O-N 3.05Å
435P95.4Very high94.8Very high15 Ų1533.3 Ų33.310%0.09717%0.168CC..Hα-helixtrans-63-29.7175.614.9-24000113.3M406 V409 N410 I431 A432 L437 T438M406-P435 HydrophobicContact CB-CB 4.09Å; M406-P435 WeakPolarHBondContact O-CB 3.24Å; M406-P435 HydrophobicContact SD-CB 4.1Å; V409-P435 HydrophobicContact CG1-CG 4.34Å; N410-P435 HydrophobicContact CB-CB 4.14Å; N410-P435 HydrophobicContact CB-CG 4.07Å; I431-P435 WeakPolarHBondContact O-CD 3.48Å; A432-P435 VanDerWaalsContact O-CD 3.3Å; A432-P435 WeakPolarHBondContact O-CD 3.36Å; A432-P435 VanDerWaalsContact O-CG 3.3Å; A432-P435 WeakPolarHBondContact O-CG 3.35Å; P435-L437 PolarHBondContact O-N 2.94Å; P435-T438 PolarHBondContact O-N 3.42Å; P435-T438 PolarHBondContact O-OG1 3.07Å
436R94.3Very high94.8Very high5 Ų534 Ų342%0.01917%0.171CC..Hα-helixtrans-57.9-30.2176.2-174.8-178.4162.4172.1-3.1112.6Y344 T348 D349 N410 A432 S433 I434 T438 K439Y344-R436 PolarHBondContact OH-NH1 3.29Å; T348-R436 PolarHBondContact OG1-NH2 3.47Å; D349-R436 IonicContact OD1-CZ 3.22Å; D349-R436 IonicContact OD1-NE 3.28Å; D349-R436 IonicContact OD1-NH2 3.74Å; D349-R436 PolarHBondContact OD1-NH2 3.33Å; D349-R436 IonicContact OD2-NH2 3.93Å; N410-R436 HydrophobicContact CB-CB 4.49Å; A432-R436 PolarHBondContact O-N 3.13Å; S433-R436 WeakPolarHBondContact O-CB 3.38Å; S433-R436 PolarHBondContact O-N 3.26Å; I434-R436 PolarHBondContact O-N 3.18Å; R436-T438 PolarHBondContact O-N 2.94Å; R436-K439 VanDerWaalsContact O-CB 3.24Å; R436-K439 WeakPolarHBondContact O-CB 3.21Å; R436-K439 PolarHBondContact O-N 3.1Å
437L94.3Very high94.9Very high34 Ų3434.6 Ų34.618%0.17817%0.17CC..THydrogen-bonded Turntrans-60-17.5-178.7-56.9-178.7000113.5T351 A352 L355 S433 I434 P435 K439T351-L437 WeakPolarHBondContact OG1-CD2 3.44Å; A352-L437 HydrophobicContact CB-CB 4.41Å; A352-L437 HydrophobicContact CB-CD2 4.16Å; A352-L437 WeakPolarHBondContact CB-O 3.5Å; L355-L437 HydrophobicContact CD2-CB 3.9Å; L355-L437 HydrophobicContact CD2-CD1 3.96Å; S433-L437 WeakPolarHBondContact O-CG 3.44Å; S433-L437 PolarHBondContact O-N 3.38Å; I434-L437 WeakPolarHBondContact O-CB 3.35Å; I434-L437 WeakPolarHBondContact O-CG 3.31Å; I434-L437 PolarHBondContact O-N 3.05Å; P435-L437 PolarHBondContact O-N 2.94Å; L437-K439 VanDerWaalsContact C-N 3.27Å; L437-K439 PolarHBondContact O-N 3.27Å
438T93.5Very high94.8Very high22 Ų2230.5 Ų30.514%0.13515%0.15CC..THydrogen-bonded Turntrans-76-10.2175.362.50000114.1S403 M406 P435 R436 S440 F441S403-T438 PolarHBondContact O-OG1 2.97Å; M406-T438 HydrophobicContact CB-CG2 3.85Å; M406-T438 WeakPolarHBondContact CB-OG1 3.42Å; M406-T438 HydrophobicContact CG-CG2 3.98Å; P435-T438 PolarHBondContact O-N 3.42Å; P435-T438 PolarHBondContact O-OG1 3.07Å; R436-T438 PolarHBondContact O-N 2.94Å; T438-S440 VanDerWaalsContact C-N 3.29Å; T438-S440 PolarHBondContact O-N 2.88Å; T438-F441 WeakPolarHBondContact O-CB 3.35Å; T438-F441 WeakPolarHBondContact O-CD2 3.38Å; T438-F441 PolarHBondContact O-N 2.81Å; T438-F441 VanDerWaalsContact O-N 3.09Å
439K92.8Very high94.7Very high31 Ų3128.7 Ų28.714%0.13514%0.14CC..Hα-helixtrans-53.5-42.8179179.3-179.2167.2176.60112.5A318 L319 D321 L407 R436 L437 F441 L442A318-K439 WeakPolarHBondContact O-CE 3.46Å; A318-K439 PolarHBondContact O-NZ 2.89Å; A318-K439 VanDerWaalsContact O-NZ 3.16Å; L319-K439 PolarHBondContact O-NZ 3.45Å; D321-K439 IonicContact OD1-NZ 3.69Å; D321-K439 PolarHBondContact OD1-NZ 3.43Å; L407-K439 HydrophobicContact CD1-CB 3.95Å; R436-K439 VanDerWaalsContact O-CB 3.24Å; R436-K439 WeakPolarHBondContact O-CB 3.21Å; R436-K439 PolarHBondContact O-N 3.1Å; L437-K439 VanDerWaalsContact C-N 3.27Å; L437-K439 PolarHBondContact O-N 3.27Å; K439-F441 PolarHBondContact O-N 3.46Å; K439-F441 VanDerWaalsContact O-N 3.13Å; K439-L442 WeakPolarHBondContact O-CG 3.32Å; K439-L442 PolarHBondContact O-N 2.98Å
440S92.4Very high94.7Very high15 Ų1528.7 Ų28.711%0.10514%0.14CC..Hα-helixtrans-69.1-6.4-177.6-59.80000114.6A352 T438 P444A352-S440 VanDerWaalsContact CB-OG 3.29Å; A352-S440 WeakPolarHBondContact CB-OG 3.31Å; T438-S440 VanDerWaalsContact C-N 3.29Å; T438-S440 PolarHBondContact O-N 2.88Å; S440-P444 WeakPolarHBondContact O-CD 3.29Å
441F93Very high94.6Very high13 Ų1322.2 Ų22.26%0.05712%0.115CC..Hα-helixtrans-84.7-24.5175.4-68.2-106.5000112.4S356 C359 T438 K439 P444 I445S356-F441 VanDerWaalsContact CA-CZ 3.49Å; C359-F441 HydrophobicContact CB-CE1 3.6Å; C359-F441 HydrophobicContact CB-CZ 3.46Å; C359-F441 VanDerWaalsContact CB-CZ 3.46Å; T438-F441 WeakPolarHBondContact O-CB 3.35Å; T438-F441 WeakPolarHBondContact O-CD2 3.38Å; T438-F441 PolarHBondContact O-N 2.81Å; T438-F441 VanDerWaalsContact O-N 3.09Å; K439-F441 PolarHBondContact O-N 3.46Å; K439-F441 VanDerWaalsContact O-N 3.13Å; F441-P444 WeakPolarHBondContact O-CD 3.41Å; F441-I445 HydrophobicContact CB-CD1 3.95Å; F441-I445 WeakPolarHBondContact O-CB 3.47Å; F441-I445 VanDerWaalsContact O-CD1 3.29Å; F441-I445 WeakPolarHBondContact O-CD1 3.35Å; F441-I445 WeakPolarHBondContact O-CG1 3.34Å; F441-I445 PolarHBondContact O-N 3.32Å; F441-I445 VanDerWaalsContact O-N 3.17Å
442L94.7Very high94.3Very high8 Ų819.2 Ų19.24%0.04210%0.1CC..Hα-helixtrans-64.6-52-168.4-61.7177.4000112.4A318 F400 I404 L407 K439 I445 I446A318-L442 HydrophobicContact CB-CD1 3.79Å; F400-L442 HydrophobicContact CD2-CD2 3.79Å; F400-L442 HydrophobicContact CE2-CB 4.03Å; F400-L442 HydrophobicContact CE2-CD2 3.42Å; F400-L442 VanDerWaalsContact CE2-CD2 3.42Å; F400-L442 HydrophobicContact CE2-CG 4.31Å; F400-L442 HydrophobicContact CZ-CD2 4.01Å; I404-L442 HydrophobicContact CD1-CD1 4.02Å; I404-L442 HydrophobicContact CD1-CD2 3.6Å; I404-L442 HydrophobicContact CD1-CG 4.49Å; I404-L442 HydrophobicContact CG1-CD2 3.88Å; L407-L442 HydrophobicContact CD2-CD1 4Å; K439-L442 WeakPolarHBondContact O-CG 3.32Å; K439-L442 PolarHBondContact O-N 2.98Å; L442-I445 PolarHBondContact O-N 2.85Å; L442-I446 WeakPolarHBondContact O-CG1 3.47Å; L442-I446 PolarHBondContact O-N 3.41Å
443V94.2Very high93.9Very high26 Ų2620 Ų2016%0.15811%0.105CC..Hα-helixtrans-63.5-49-176.4176.70000111.6D200 L319 I445 I446 R447D200-V443 WeakPolarHBondContact OD1-CG1 3.36Å; L319-V443 HydrophobicContact CD1-CG2 4.44Å; L319-V443 HydrophobicContact CD2-CG2 3.53Å; V443-I445 VanDerWaalsContact C-N 3.32Å; V443-I445 PolarHBondContact O-N 3.23Å; V443-I446 PolarHBondContact O-N 3.03Å; V443-R447 HydrophobicContact CG1-CG 4.34Å; V443-R447 WeakPolarHBondContact O-CB 3.4Å; V443-R447 WeakPolarHBondContact O-CG 3.48Å; V443-R447 PolarHBondContact O-N 2.73Å
444P96Very high93.5Very high1 Ų120.2 Ų20.21%0.00611%0.105CC..Hα-helixtrans-59-40.3176.3-27.235.9000113.9F196 T197 D200 S440 F441 T448F196-P444 HydrophobicContact CB-CB 3.93Å; T197-P444 WeakPolarHBondContact OG1-CB 3.3Å; D200-P444 HydrophobicContact CB-CG 3.78Å; S440-P444 WeakPolarHBondContact O-CD 3.29Å; F441-P444 WeakPolarHBondContact O-CD 3.41Å; P444-T448 WeakPolarHBondContact O-CB 3.36Å; P444-T448 PolarHBondContact O-N 3.37Å; P444-T448 PolarHBondContact O-OG1 2.81Å
445I96.3Very high92.8Very high0 Ų019.5 Ų19.50%010%0.099CC..Hα-helixtrans-67.4-51.3-178.9-68.6167000110.6W193 L396 V399 F400 F441 L442 V443 R447 T448 M449W193-I445 HydrophobicContact CZ2-CD1 4.29Å; W193-I445 HydrophobicContact CZ2-CG1 4Å; L396-I445 HydrophobicContact CB-CG2 4.03Å; L396-I445 HydrophobicContact CD2-CG2 4.22Å; V399-I445 HydrophobicContact CB-CD1 4.06Å; V399-I445 HydrophobicContact CG1-CD1 3.55Å; F400-I445 HydrophobicContact CB-CG2 3.86Å; F400-I445 HydrophobicContact CD2-CB 4.21Å; F400-I445 HydrophobicContact CD2-CG2 3.96Å; F400-I445 HydrophobicContact CG-CG2 4.3Å; F441-I445 HydrophobicContact CB-CD1 3.95Å; F441-I445 WeakPolarHBondContact O-CB 3.47Å; F441-I445 VanDerWaalsContact O-CD1 3.29Å; F441-I445 WeakPolarHBondContact O-CD1 3.35Å; F441-I445 WeakPolarHBondContact O-CG1 3.34Å; F441-I445 PolarHBondContact O-N 3.32Å; F441-I445 VanDerWaalsContact O-N 3.17Å; L442-I445 PolarHBondContact O-N 2.85Å; V443-I445 VanDerWaalsContact C-N 3.32Å; V443-I445 PolarHBondContact O-N 3.23Å; I445-R447 VanDerWaalsContact C-N 3.31Å; I445-R447 PolarHBondContact O-N 2.96Å; I445-T448 WeakPolarHBondContact O-CA 3.15Å; I445-T448 WeakPolarHBondContact O-CB 3.41Å; I445-T448 PolarHBondContact O-N 3.14Å; I445-T448 VanDerWaalsContact O-N 3.07Å; I445-M449 HydrophobicContact CG2-CG 4.31Å; I445-M449 HydrophobicContact CG2-SD 3.82Å; I445-M449 WeakPolarHBondContact O-CG 3.4Å; I445-M449 PolarHBondContact O-N 3.36Å
446I95.6Very high91.9Very high13 Ų1320.4 Ų20.47%0.06711%0.105CC..Hα-helixtrans-60.1-42.7179.1-67.5176.2000110.9I307 M310 V311 F400 L442 V443 T448 M449 L450I307-I446 HydrophobicContact CG2-CG2 3.97Å; M310-I446 HydrophobicContact CB-CD1 4.4Å; V311-I446 HydrophobicContact CG2-CG2 3.36Å; F400-I446 HydrophobicContact CD2-CG1 3.96Å; F400-I446 HydrophobicContact CE2-CD1 3.45Å; F400-I446 VanDerWaalsContact CE2-CD1 3.45Å; F400-I446 HydrophobicContact CE2-CG1 3.34Å; F400-I446 HydrophobicContact CZ-CD1 3.58Å; F400-I446 HydrophobicContact CZ-CG1 3.83Å; L442-I446 WeakPolarHBondContact O-CG1 3.47Å; L442-I446 PolarHBondContact O-N 3.41Å; V443-I446 PolarHBondContact O-N 3.03Å; I446-T448 VanDerWaalsContact C-N 3.29Å; I446-T448 PolarHBondContact O-N 3.1Å; I446-M449 PolarHBondContact O-N 3Å; I446-L450 WeakPolarHBondContact O-CB 3.42Å; I446-L450 PolarHBondContact O-N 3.38Å
447R94.6Very high91.1Very high51 Ų5122.4 Ų22.419%0.19212%0.12CC..Hα-helixtrans-62.5-38176.2-77.3-175.7176.7163.15.4112.1F196 V443 I445 S451F196-R447 HydrophobicContact CD1-CB 4.28Å; F196-R447 HydrophobicContact CD2-CB 4.06Å; F196-R447 HydrophobicContact CE1-CB 4.32Å; F196-R447 HydrophobicContact CE2-CB 4.02Å; F196-R447 HydrophobicContact CG-CB 4.18Å; F196-R447 HydrophobicContact CZ-CB 4.16Å; V443-R447 HydrophobicContact CG1-CG 4.34Å; V443-R447 WeakPolarHBondContact O-CB 3.4Å; V443-R447 WeakPolarHBondContact O-CG 3.48Å; V443-R447 PolarHBondContact O-N 2.73Å; I445-R447 VanDerWaalsContact C-N 3.31Å; I445-R447 PolarHBondContact O-N 2.96Å; R447-S451 VanDerWaalsContact O-CB 3.3Å; R447-S451 WeakPolarHBondContact O-CB 3.44Å; R447-S451 PolarHBondContact O-N 2.86Å; R447-S451 PolarHBondContact O-OG 3.39Å
448T95.3Very high90.7Very high1 Ų125 Ų251%0.00613%0.13CC..Hα-helixtrans-63.1-52.1174.1-54.50000109.9M192 W193 F196 L396 P444 I445 I446 L450 S451 I452M192-T448 HydrophobicContact CE-CG2 3.86Å; W193-T448 WeakPolarHBondContact CA-OG1 3.43Å; W193-T448 HydrophobicContact CB-CG2 3.93Å; W193-T448 HydrophobicContact CG-CG2 4.49Å; F196-T448 WeakPolarHBondContact CD2-OG1 3.4Å; L396-T448 HydrophobicContact CD1-CG2 3.62Å; L396-T448 HydrophobicContact CD2-CG2 4.24Å; P444-T448 WeakPolarHBondContact O-CB 3.36Å; P444-T448 PolarHBondContact O-N 3.37Å; P444-T448 PolarHBondContact O-OG1 2.81Å; I445-T448 WeakPolarHBondContact O-CA 3.15Å; I445-T448 WeakPolarHBondContact O-CB 3.41Å; I445-T448 PolarHBondContact O-N 3.14Å; I445-T448 VanDerWaalsContact O-N 3.07Å; I446-T448 VanDerWaalsContact C-N 3.29Å; I446-T448 PolarHBondContact O-N 3.1Å; T448-L450 VanDerWaalsContact C-N 3.32Å; T448-L450 PolarHBondContact O-N 3.42Å; T448-S451 PolarHBondContact O-N 2.68Å; T448-S451 VanDerWaalsContact O-N 3.13Å; T448-I452 HydrophobicContact CG2-CD1 3.75Å; T448-I452 HydrophobicContact CG2-CG1 4.22Å; T448-I452 VanDerWaalsContact O-CG1 3.23Å; T448-I452 WeakPolarHBondContact O-CG1 3.41Å; T448-I452 PolarHBondContact O-N 3.15Å
449M94.6Very high90.4Very high0 Ų024 Ų240%012%0.123CC..Hα-helixtrans-55.1-48.6179.1-65.5171.569.300111.2I307 M310 M393 L396 I397 I445 I446 S451 I452 S453 L514I307-M449 HydrophobicContact CD1-CB 4.13Å; M310-M449 HydrophobicContact CE-CE 4.34Å; M393-M449 HydrophobicContact CE-CB 4.39Å; M393-M449 HydrophobicContact SD-CB 3.94Å; M393-M449 HydrophobicContact SD-CE 3.88Å; M393-M449 HydrophobicContact SD-CG 3.68Å; L396-M449 HydrophobicContact CB-CG 3.86Å; L396-M449 HydrophobicContact CB-SD 4.24Å; L396-M449 HydrophobicContact CD1-CG 3.86Å; L396-M449 HydrophobicContact CG-CG 4.47Å; I397-M449 HydrophobicContact CD1-CE 4.33Å; I397-M449 HydrophobicContact CG1-CE 3.56Å; I445-M449 HydrophobicContact CG2-CG 4.31Å; I445-M449 HydrophobicContact CG2-SD 3.82Å; I445-M449 WeakPolarHBondContact O-CG 3.4Å; I445-M449 PolarHBondContact O-N 3.36Å; I446-M449 PolarHBondContact O-N 3Å; M449-S451 PolarHBondContact O-N 2.91Å; M449-I452 PolarHBondContact O-N 3.36Å; M449-S453 PolarHBondContact O-N 3.42Å; M449-S453 VanDerWaalsContact O-N 3.15Å; M449-S453 PolarHBondContact O-OG 3.42Å; M449-S453 VanDerWaalsContact O-OG 3.14Å; M449-L514 HydrophobicContact CE-CD2 3.27Å
450L94.5Very high90.1Very high1 Ų122.5 Ų22.51%0.00512%0.117CC..Hα-helixtrans-56.6-51.4175.8-175.365.8000111.3V304 I307 L308 I446 T448 I452 S453 I454 A466V304-L450 HydrophobicContact CG1-CD1 4.08Å; I307-L450 HydrophobicContact CG2-CB 3.92Å; I307-L450 HydrophobicContact CG2-CD1 4.07Å; L308-L450 HydrophobicContact CD2-CD1 4.44Å; I446-L450 WeakPolarHBondContact O-CB 3.42Å; I446-L450 PolarHBondContact O-N 3.38Å; T448-L450 VanDerWaalsContact C-N 3.32Å; T448-L450 PolarHBondContact O-N 3.42Å; L450-I452 VanDerWaalsContact C-N 3.33Å; L450-I452 PolarHBondContact O-N 2.96Å; L450-S453 PolarHBondContact O-N 3.48Å; L450-S453 VanDerWaalsContact O-N 3.1Å; L450-I454 HydrophobicContact CD1-CD1 3.42Å; L450-I454 VanDerWaalsContact CD1-CD1 3.42Å; L450-I454 HydrophobicContact CG-CD1 3.65Å; L450-I454 WeakPolarHBondContact O-CD1 3.32Å; L450-I454 PolarHBondContact O-N 3.3Å; L450-A466 HydrophobicContact CD2-CB 3.59Å
451S93Very high89.9Confident0 Ų022 Ų220%011%0.113CC..Hα-helixtrans-65.7-34.1-174.9-54.90000112.9V166 M192 F196 R447 T448 M449 S453 Q459 Q463V166-S451 WeakPolarHBondContact CG2-OG 3.32Å; M192-S451 VanDerWaalsContact SD-CB 3.53Å; F196-S451 WeakPolarHBondContact CZ-OG 3.38Å; R447-S451 VanDerWaalsContact O-CB 3.3Å; R447-S451 WeakPolarHBondContact O-CB 3.44Å; R447-S451 PolarHBondContact O-N 2.86Å; R447-S451 PolarHBondContact O-OG 3.39Å; T448-S451 PolarHBondContact O-N 2.68Å; T448-S451 VanDerWaalsContact O-N 3.13Å; M449-S451 PolarHBondContact O-N 2.91Å; S451-S453 VanDerWaalsContact C-N 3.34Å; S451-Q459 PolarHBondContact O-NE2 3.3Å; S451-Q463 PolarHBondContact OG-NE2 3.36Å
452I90.8Very high89.8Confident31 Ų3121.9 Ų21.916%0.15911%0.113CC..Hα-helixtrans-71.4-32.1175.9-55.4169.6000110.5D189 M192 Y389 L396 T448 M449 L450 I454D189-I452 HydrophobicContact CB-CD1 3.85Å; D189-I452 HydrophobicContact CB-CG1 4.05Å; M192-I452 HydrophobicContact CE-CD1 4.35Å; M192-I452 HydrophobicContact CE-CG1 3.45Å; M192-I452 VanDerWaalsContact CE-CG1 3.45Å; Y389-I452 HydrophobicContact CD2-CG2 3.59Å; Y389-I452 HydrophobicContact CE2-CB 4.4Å; Y389-I452 HydrophobicContact CE2-CG2 3.29Å; L396-I452 HydrophobicContact CD1-CD1 3.81Å; T448-I452 HydrophobicContact CG2-CD1 3.75Å; T448-I452 HydrophobicContact CG2-CG1 4.22Å; T448-I452 VanDerWaalsContact O-CG1 3.23Å; T448-I452 WeakPolarHBondContact O-CG1 3.41Å; T448-I452 PolarHBondContact O-N 3.15Å; M449-I452 PolarHBondContact O-N 3.36Å; L450-I452 VanDerWaalsContact C-N 3.33Å; L450-I452 PolarHBondContact O-N 2.96Å; I452-I454 VanDerWaalsContact C-N 3.27Å; I452-I454 PolarHBondContact O-N 3.21Å
453S87.1Confident89.7Confident17 Ų1721.6 Ų21.612%0.11911%0.111CC..THydrogen-bonded Turntrans-78.9-2.7180-630000114.7M393 M449 L450 S451M393-S453 WeakPolarHBondContact CE-OG 3.4Å; M449-S453 PolarHBondContact O-N 3.42Å; M449-S453 VanDerWaalsContact O-N 3.15Å; M449-S453 PolarHBondContact O-OG 3.42Å; M449-S453 VanDerWaalsContact O-OG 3.14Å; L450-S453 PolarHBondContact O-N 3.48Å; L450-S453 VanDerWaalsContact O-N 3.1Å; S451-S453 VanDerWaalsContact C-N 3.34Å
454I86.6Confident89.6Confident17 Ų1720.4 Ų20.49%0.08710%0.104CC..SBendtrans-122.8138.7-173.9-71.6154000111V304 L450 I452 K458 Q459 M462V304-I454 HydrophobicContact CG1-CD1 4.45Å; V304-I454 HydrophobicContact CG2-CG1 4.19Å; L450-I454 HydrophobicContact CD1-CD1 3.42Å; L450-I454 VanDerWaalsContact CD1-CD1 3.42Å; L450-I454 HydrophobicContact CG-CD1 3.65Å; L450-I454 WeakPolarHBondContact O-CD1 3.32Å; L450-I454 PolarHBondContact O-N 3.3Å; I452-I454 VanDerWaalsContact C-N 3.27Å; I452-I454 PolarHBondContact O-N 3.21Å; I454-K458 HydrophobicContact CG2-CB 4.21Å; I454-Q459 HydrophobicContact CG2-CG 4.4Å; I454-Q459 PolarHBondContact O-NE2 3.42Å; I454-M462 HydrophobicContact CB-CG 4.48Å; I454-M462 HydrophobicContact CD1-CB 3.33Å; I454-M462 HydrophobicContact CD1-CG 3.35Å; I454-M462 HydrophobicContact CD1-SD 4.14Å; I454-M462 HydrophobicContact CG1-CB 4.32Å; I454-M462 HydrophobicContact CG1-CG 3.87Å; I454-M462 HydrophobicContact CG2-CB 4.26Å; I454-M462 HydrophobicContact CG2-CG 3.81Å
455H79.6Confident89.4Confident109 Ų10920.5 Ų20.551%0.50510%0.104SC..  trans-64.8142.3174-174.2-98.6000112S457 K458H455-S457 PolarHBondContact ND1-N 3.08Å; H455-S457 PolarHBondContact ND1-OG 3.43Å; H455-S457 PolarHBondContact O-N 2.88Å; H455-K458 PolarHBondContact O-N 3.01Å
456S76.7Confident89.3Confident34 Ų3421 Ų2124%0.23811%0.108CC..G310 helixtrans-57.5-22-172.8-500000114.7H170H170-S456 PolarHBondContact CD2-OG 3.42Å; H170-S456 PolarHBondContact CE1-OG 2.74Å; H170-S456 VanDerWaalsContact CE1-OG 3.3Å; H170-S456 VanDerWaalsContact CG-OG 3.28Å; H170-S456 PolarHBondContact ND1-OG 3.34Å; H170-S456 PolarHBondContact NE2-OG 3.36Å
457S77.8Confident89.2Confident46 Ų4620.9 Ų20.932%0.32211%0.11SC..G310 helixtrans-76.9-19.3178.461.30000115.1H455H455-S457 PolarHBondContact ND1-N 3.08Å; H455-S457 PolarHBondContact ND1-OG 3.43Å; H455-S457 PolarHBondContact O-N 2.88Å
458K84.7Confident89.1Confident89 Ų8920.5 Ų20.539%0.38711%0.109SC..G310 helixtrans-110.310.9-175.4-63.5-179.3176.5178.60112.6I454 H455 G460 M462 F559I454-K458 HydrophobicContact CG2-CB 4.21Å; H455-K458 PolarHBondContact O-N 3.01Å; K458-G460 PolarHBondContact O-N 3.41Å; K458-M462 WeakPolarHBondContact O-CG 3.35Å; K458-M462 PolarHBondContact O-N 3.32Å; K458-M462 VanDerWaalsContact O-N 3.09Å; K458-F559 PolarHBondContact NZ-O 3.1Å
459Q88.1Confident88.9Confident0 Ų021.5 Ų21.50%012%0.115CC..Hα-helixtrans-65.9-39.4-171.8-72.3-72.6-1800113T163 V166 S451 I454 M462 Q463T163-Q459 HydrophobicContact CG2-CB 4.08Å; V166-Q459 HydrophobicContact CG1-CG 3.77Å; S451-Q459 PolarHBondContact O-NE2 3.3Å; I454-Q459 HydrophobicContact CG2-CG 4.4Å; I454-Q459 PolarHBondContact O-NE2 3.42Å; Q459-M462 PolarHBondContact O-N 2.95Å; Q459-Q463 WeakPolarHBondContact O-CB 3.29Å; Q459-Q463 VanDerWaalsContact O-CG 3.27Å; Q459-Q463 WeakPolarHBondContact O-CG 3.4Å; Q459-Q463 PolarHBondContact O-N 3.33Å
460G86.5Confident88.9Confident0 Ų022.3 Ų22.30%012%0.121CC..Hα-helixtrans-65.3-44.7-178.300000112.1D105 K458 S464D105-G460 VanDerWaalsContact OD1-CA 3.28Å; D105-G460 WeakPolarHBondContact OD1-CA 3.29Å; D105-G460 PolarHBondContact OD1-N 3.12Å; K458-G460 PolarHBondContact O-N 3.41Å; G460-S464 WeakPolarHBondContact O-CB 3.46Å; G460-S464 PolarHBondContact O-N 3.2Å; G460-S464 PolarHBondContact O-OG 3.35Å
461F88.8Confident88.7Confident4 Ų422.8 Ų22.82%0.01812%0.123CC..Hα-helixtrans-64.7-45.5175.5-175.6-121.1000111.6G101 D105 A293 R296 S464 I465G101-F461 PolarHBondContact O-N 3.28Å; D105-F461 WeakPolarHBondContact OD2-CB 3.37Å; D105-F461 PolarHBondContact OD2-N 3.06Å; A293-F461 HydrophobicContact CB-CE2 3.95Å; A293-F461 HydrophobicContact CB-CZ 4.04Å; R296-F461 HydrophobicContact CB-CE1 3.72Å; R296-F461 HydrophobicContact CB-CZ 4.22Å; R296-F461 HydrophobicContact CG-CE1 4.46Å; F461-S464 WeakPolarHBondContact O-CB 3.48Å; F461-S464 PolarHBondContact O-N 3.46Å; F461-S464 VanDerWaalsContact O-N 3.15Å; F461-I465 HydrophobicContact CD1-CD1 4.14Å; F461-I465 HydrophobicContact CE1-CD1 3.61Å; F461-I465 HydrophobicContact CE1-CG1 4.32Å; F461-I465 HydrophobicContact CE2-CD1 4.47Å; F461-I465 HydrophobicContact CE2-CG1 4.37Å; F461-I465 HydrophobicContact CZ-CD1 3.79Å; F461-I465 HydrophobicContact CZ-CG1 4.15Å; F461-I465 WeakPolarHBondContact O-CG1 3.35Å; F461-I465 PolarHBondContact O-N 3.12Å
462M91.3Very high88.6Confident12 Ų1225.3 Ų25.36%0.05914%0.136CC..Hα-helixtrans-67.3-40.4-179-72-59.6112.400114.3L300 V304 I454 K458 Q459 S464 I465 A466L300-M462 HydrophobicContact CD2-CE 4.02Å; L300-M462 HydrophobicContact CD2-SD 3.82Å; V304-M462 HydrophobicContact CG1-SD 4.43Å; I454-M462 HydrophobicContact CB-CG 4.48Å; I454-M462 HydrophobicContact CD1-CB 3.33Å; I454-M462 HydrophobicContact CD1-CG 3.35Å; I454-M462 HydrophobicContact CD1-SD 4.14Å; I454-M462 HydrophobicContact CG1-CB 4.32Å; I454-M462 HydrophobicContact CG1-CG 3.87Å; I454-M462 HydrophobicContact CG2-CB 4.26Å; I454-M462 HydrophobicContact CG2-CG 3.81Å; K458-M462 WeakPolarHBondContact O-CG 3.35Å; K458-M462 PolarHBondContact O-N 3.32Å; K458-M462 VanDerWaalsContact O-N 3.09Å; Q459-M462 PolarHBondContact O-N 2.95Å; M462-S464 PolarHBondContact O-N 3.44Å; M462-I465 HydrophobicContact CE-CD1 3.4Å; M462-I465 VanDerWaalsContact CE-CD1 3.4Å; M462-I465 HydrophobicContact CE-CG1 4.44Å; M462-I465 PolarHBondContact O-N 3.42Å; M462-I465 HydrophobicContact SD-CD1 4.03Å; M462-A466 PolarHBondContact O-N 2.91Å
463Q92.1Very high88.7Confident2 Ų223.9 Ų23.91%0.00913%0.128CC..Hα-helixtrans-63.1-32.5173.4-68.9-64.1-22.200111.3A159 A162 T163 S451 Q459 A466 A467A159-Q463 HydrophobicContact CB-CB 4Å; A159-Q463 WeakPolarHBondContact CB-O 3.26Å; A162-Q463 HydrophobicContact CB-CG 4.38Å; T163-Q463 WeakPolarHBondContact OG1-CB 3.46Å; S451-Q463 PolarHBondContact OG-NE2 3.36Å; Q459-Q463 WeakPolarHBondContact O-CB 3.29Å; Q459-Q463 VanDerWaalsContact O-CG 3.27Å; Q459-Q463 WeakPolarHBondContact O-CG 3.4Å; Q459-Q463 PolarHBondContact O-N 3.33Å; Q463-A466 PolarHBondContact O-N 3.44Å; Q463-A467 PolarHBondContact O-N 2.99Å
464S91.9Very high88.9Confident0 Ų024.3 Ų24.30%013%0.129CC..Hα-helixtrans-74.1-35.5176.3-54.60000112.4T97 G101 Q160 G460 F461 M462 A466 A467 F468T97-S464 WeakPolarHBondContact O-CB 3.47Å; G101-S464 WeakPolarHBondContact CA-OG 3.31Å; G101-S464 PolarHBondContact N-OG 2.99Å; Q160-S464 PolarHBondContact NE2-OG 3.16Å; G460-S464 WeakPolarHBondContact O-CB 3.46Å; G460-S464 PolarHBondContact O-N 3.2Å; G460-S464 PolarHBondContact O-OG 3.35Å; F461-S464 WeakPolarHBondContact O-CB 3.48Å; F461-S464 PolarHBondContact O-N 3.46Å; F461-S464 VanDerWaalsContact O-N 3.15Å; M462-S464 PolarHBondContact O-N 3.44Å; S464-A466 VanDerWaalsContact C-N 3.33Å; S464-A467 PolarHBondContact O-N 3.01Å; S464-F468 WeakPolarHBondContact O-CB 3.49Å; S464-F468 PolarHBondContact O-N 3.49Å
465I92.1Very high88.9Confident4 Ų426.7 Ų26.72%0.02114%0.142CC..Hα-helixtrans-61-44.8168.2-66.8-179.3000110.1L98 V297 L308 F461 M462 A467 F468 V469L98-I465 HydrophobicContact CD2-CB 4.49Å; L98-I465 HydrophobicContact CD2-CG1 3.88Å; V297-I465 HydrophobicContact CG2-CD1 3.87Å; L308-I465 HydrophobicContact CD1-CG2 3.7Å; L308-I465 HydrophobicContact CD2-CG2 3.96Å; L308-I465 HydrophobicContact CG-CG2 4.49Å; F461-I465 HydrophobicContact CD1-CD1 4.14Å; F461-I465 HydrophobicContact CE1-CD1 3.61Å; F461-I465 HydrophobicContact CE1-CG1 4.32Å; F461-I465 HydrophobicContact CE2-CD1 4.47Å; F461-I465 HydrophobicContact CE2-CG1 4.37Å; F461-I465 HydrophobicContact CZ-CD1 3.79Å; F461-I465 HydrophobicContact CZ-CG1 4.15Å; F461-I465 WeakPolarHBondContact O-CG1 3.35Å; F461-I465 PolarHBondContact O-N 3.12Å; M462-I465 HydrophobicContact CE-CD1 3.4Å; M462-I465 VanDerWaalsContact CE-CD1 3.4Å; M462-I465 HydrophobicContact CE-CG1 4.44Å; M462-I465 PolarHBondContact O-N 3.42Å; M462-I465 HydrophobicContact SD-CD1 4.03Å; I465-A467 VanDerWaalsContact C-N 3.32Å; I465-A467 PolarHBondContact O-N 3.37Å; I465-F468 WeakPolarHBondContact O-CB 3.31Å; I465-F468 PolarHBondContact O-N 3.27Å; I465-V469 HydrophobicContact CG2-CG2 4.1Å; I465-V469 WeakPolarHBondContact O-CB 3.38Å; I465-V469 VanDerWaalsContact O-CG2 3.3Å; I465-V469 WeakPolarHBondContact O-CG2 2.97Å; I465-V469 PolarHBondContact O-N 3.46Å
466A93.8Very high89.5Confident10 Ų1025 Ų258%0.08314%0.136CC..Hα-helixtrans-61.1-41.2177.400000111.9L308 V311 L450 M462 Q463 S464 S470L308-A466 HydrophobicContact CD2-CB 4.04Å; V311-A466 WeakPolarHBondContact CG1-O 3.25Å; L450-A466 HydrophobicContact CD2-CB 3.59Å; M462-A466 PolarHBondContact O-N 2.91Å; Q463-A466 PolarHBondContact O-N 3.44Å; S464-A466 VanDerWaalsContact C-N 3.33Å; A466-S470 WeakPolarHBondContact O-CB 3.46Å; A466-S470 PolarHBondContact O-N 3.28Å
467A93Very high90.2Very high11 Ų1123.4 Ų23.49%0.09113%0.125CC..Hα-helixtrans-64.9-41173.500000112.6T97 A159 Q463 S464 I465 S470 R471T97-A467 HydrophobicContact CG2-CB 4.04Å; A159-A467 HydrophobicContact CB-CB 3.94Å; Q463-A467 PolarHBondContact O-N 2.99Å; S464-A467 PolarHBondContact O-N 3.01Å; I465-A467 VanDerWaalsContact C-N 3.32Å; I465-A467 PolarHBondContact O-N 3.37Å; A467-S470 PolarHBondContact O-N 2.98Å; A467-R471 WeakPolarHBondContact O-CB 3.19Å; A467-R471 PolarHBondContact O-N 3.35Å
468F92Very high90.6Very high42 Ų4225 Ų2518%0.18413%0.126CC..Hα-helixtrans-59.4-51.5174.7173.1-95.1000111.6L94 T97 L98 S464 I465 S470 R471 I472L94-F468 HydrophobicContact CB-CD2 4.13Å; L94-F468 HydrophobicContact CB-CE2 3.82Å; L94-F468 HydrophobicContact CD2-CD2 3.65Å; L94-F468 HydrophobicContact CD2-CE2 3.76Å; L94-F468 HydrophobicContact CD2-CG 4.35Å; L94-F468 HydrophobicContact CG-CE2 4.36Å; L94-F468 WeakPolarHBondContact O-CD2 3.47Å; L94-F468 WeakPolarHBondContact O-CE2 3.45Å; T97-F468 HydrophobicContact CG2-CB 4.49Å; L98-F468 HydrophobicContact CD1-CD1 4.48Å; L98-F468 HydrophobicContact CD1-CD2 3.95Å; L98-F468 HydrophobicContact CD1-CE2 3.96Å; L98-F468 HydrophobicContact CD1-CG 4.2Å; L98-F468 HydrophobicContact CD1-CZ 4.27Å; L98-F468 HydrophobicContact CD2-CB 3.72Å; L98-F468 HydrophobicContact CD2-CD1 4.38Å; L98-F468 HydrophobicContact CD2-CD2 4.25Å; L98-F468 HydrophobicContact CD2-CG 3.88Å; L98-F468 HydrophobicContact CG-CB 4.2Å; L98-F468 HydrophobicContact CG-CD2 3.85Å; L98-F468 HydrophobicContact CG-CE2 4.35Å; L98-F468 HydrophobicContact CG-CG 4.01Å; S464-F468 WeakPolarHBondContact O-CB 3.49Å; S464-F468 PolarHBondContact O-N 3.49Å; I465-F468 WeakPolarHBondContact O-CB 3.31Å; I465-F468 PolarHBondContact O-N 3.27Å; F468-S470 VanDerWaalsContact C-N 3.34Å; F468-S470 PolarHBondContact O-N 3.3Å; F468-R471 WeakPolarHBondContact O-CB 3.28Å; F468-R471 PolarHBondContact O-N 2.98Å; F468-I472 HydrophobicContact CD1-CD1 3.97Å; F468-I472 HydrophobicContact CE1-CD1 3.39Å; F468-I472 HydrophobicContact CE1-CG1 4.45Å; F468-I472 HydrophobicContact CZ-CD1 3.73Å; F468-I472 PolarHBondContact O-N 3.32Å
469V93.1Very high90.7Very high22 Ų2225 Ų2513%0.13313%0.134CC..Hα-helixtrans-62.2-42.3178.1172.10000111L308 V311 L312 I465 R471 I472 G473L308-V469 WeakPolarHBondContact O-CG1 3.43Å; V311-V469 HydrophobicContact CB-CG1 4.42Å; V311-V469 HydrophobicContact CG1-CG1 4.31Å; L312-V469 HydrophobicContact CB-CG1 3.49Å; L312-V469 VanDerWaalsContact CB-CG1 3.49Å; L312-V469 HydrophobicContact CD1-CG1 4.03Å; L312-V469 WeakPolarHBondContact CD1-O 3.26Å; L312-V469 HydrophobicContact CG-CG1 4.27Å; I465-V469 HydrophobicContact CG2-CG2 4.1Å; I465-V469 WeakPolarHBondContact O-CB 3.38Å; I465-V469 VanDerWaalsContact O-CG2 3.3Å; I465-V469 WeakPolarHBondContact O-CG2 2.97Å; I465-V469 PolarHBondContact O-N 3.46Å; V469-R471 VanDerWaalsContact C-N 3.31Å; V469-R471 PolarHBondContact O-N 3.23Å; V469-I472 PolarHBondContact O-N 3.38Å; V469-G473 PolarHBondContact O-N 3.27Å
470S93Very high90.9Very high18 Ų1826.7 Ų26.713%0.12615%0.148CC..Hα-helixtrans-60.8-41.4175.3-176.50000111.6S315 A466 A467 F468 I472 G473 L474S315-S470 WeakPolarHBondContact CB-O 3.32Å; S315-S470 VanDerWaalsContact OG-CA 3.31Å; S315-S470 WeakPolarHBondContact OG-CA 3.34Å; S315-S470 WeakPolarHBondContact OG-CB 3.3Å; S315-S470 PolarHBondContact OG-OG 3.46Å; A466-S470 WeakPolarHBondContact O-CB 3.46Å; A466-S470 PolarHBondContact O-N 3.28Å; A467-S470 PolarHBondContact O-N 2.98Å; F468-S470 VanDerWaalsContact C-N 3.34Å; F468-S470 PolarHBondContact O-N 3.3Å; S470-I472 PolarHBondContact O-N 2.89Å; S470-G473 CarbonylContact O-C 3.6Å; S470-G473 WeakPolarHBondContact O-CA 3.21Å; S470-G473 PolarHBondContact O-N 3.45Å; S470-G473 VanDerWaalsContact O-N 3.09Å; S470-L474 WeakPolarHBondContact O-CG 3.34Å; S470-L474 PolarHBondContact O-N 3.3Å
471R90.4Very high91.1Very high10 Ų1026.9 Ų26.94%0.03815%0.149CC..Hα-helixtrans-64.4-38.9177.8-165.8173-163.6144.46.1112.7R89 I90 L94 G152 L155 A467 F468 V469 G473 L474 L475R89-R471 PolarHBondContact O-NH2 2.84Å; I90-R471 HydrophobicContact CG2-CG 4.38Å; L94-R471 HydrophobicContact CD2-CB 3.78Å; L94-R471 HydrophobicContact CD2-CG 3.88Å; L94-R471 HydrophobicContact CG-CG 4.36Å; G152-R471 PolarHBondContact O-NH1 3.44Å; G152-R471 PolarHBondContact O-NH2 3.44Å; L155-R471 HydrophobicContact CD2-CB 3.79Å; L155-R471 HydrophobicContact CD2-CG 4.2Å; A467-R471 WeakPolarHBondContact O-CB 3.19Å; A467-R471 PolarHBondContact O-N 3.35Å; F468-R471 WeakPolarHBondContact O-CB 3.28Å; F468-R471 PolarHBondContact O-N 2.98Å; V469-R471 VanDerWaalsContact C-N 3.31Å; V469-R471 PolarHBondContact O-N 3.23Å; R471-G473 VanDerWaalsContact C-N 3.32Å; R471-L474 PolarHBondContact O-N 2.96Å; R471-L475 WeakPolarHBondContact O-CB 3.28Å; R471-L475 PolarHBondContact O-N 3.09Å
472I91.8Very high91.1Very high54 Ų5428.5 Ų28.528%0.27716%0.16SC..Hα-helixtrans-60.3-46.1170.5-66.4172.9000109.9L94 L312 F468 V469 S470 L474 L475 I476L94-I472 HydrophobicContact CD1-CG1 4.5Å; L94-I472 HydrophobicContact CD2-CG1 3.82Å; L312-I472 HydrophobicContact CD1-CB 4.22Å; L312-I472 HydrophobicContact CD1-CG2 3.99Å; F468-I472 HydrophobicContact CD1-CD1 3.97Å; F468-I472 HydrophobicContact CE1-CD1 3.39Å; F468-I472 HydrophobicContact CE1-CG1 4.45Å; F468-I472 HydrophobicContact CZ-CD1 3.73Å; F468-I472 PolarHBondContact O-N 3.32Å; V469-I472 PolarHBondContact O-N 3.38Å; S470-I472 PolarHBondContact O-N 2.89Å; I472-L474 PolarHBondContact O-N 3.06Å; I472-L475 WeakPolarHBondContact O-CB 3.38Å; I472-L475 PolarHBondContact O-N 2.95Å; I472-I476 HydrophobicContact CG2-CD1 3.91Å; I472-I476 WeakPolarHBondContact O-CG1 3.43Å; I472-I476 PolarHBondContact O-N 3.23Å
473G92.9Very high91Very high0 Ų030.9 Ų30.90%018%0.181CC..Hα-helixtrans-60.4-42.7177.800000113.1V316 V469 S470 R471 I476 S477V316-G473 WeakPolarHBondContact CA-O 3.43Å; V316-G473 WeakPolarHBondContact CG2-O 3.45Å; V469-G473 PolarHBondContact O-N 3.27Å; S470-G473 CarbonylContact O-C 3.6Å; S470-G473 WeakPolarHBondContact O-CA 3.21Å; S470-G473 PolarHBondContact O-N 3.45Å; S470-G473 VanDerWaalsContact O-N 3.09Å; R471-G473 VanDerWaalsContact C-N 3.32Å; G473-I476 PolarHBondContact O-N 3.49Å; G473-S477 WeakPolarHBondContact O-CB 3.3Å; G473-S477 PolarHBondContact O-N 3.27Å
474L90.6Very high91Very high26 Ų2633.3 Ų33.314%0.13619%0.193CC..Hα-helixtrans-64.1-41.1174.9-68.3175.8000112.1L155 L319 A320 S470 R471 I472 I476 S477 F478L155-L474 HydrophobicContact CD1-CD1 4.4Å; L155-L474 HydrophobicContact CD2-CD1 3.91Å; L319-L474 HydrophobicContact CB-CD2 3.79Å; L319-L474 HydrophobicContact CD1-CD2 4.47Å; A320-L474 HydrophobicContact CB-CD2 3.69Å; S470-L474 WeakPolarHBondContact O-CG 3.34Å; S470-L474 PolarHBondContact O-N 3.3Å; R471-L474 PolarHBondContact O-N 2.96Å; I472-L474 PolarHBondContact O-N 3.06Å; L474-I476 VanDerWaalsContact C-N 3.35Å; L474-I476 PolarHBondContact O-N 3.05Å; L474-S477 WeakPolarHBondContact O-CB 3.47Å; L474-S477 PolarHBondContact O-N 3.02Å; L474-F478 HydrophobicContact CB-CD2 4.46Å; L474-F478 HydrophobicContact CB-CE2 4.13Å; L474-F478 HydrophobicContact CD2-CZ 4.42Å; L474-F478 WeakPolarHBondContact O-CB 3.23Å; L474-F478 VanDerWaalsContact O-CD2 3.3Å; L474-F478 WeakPolarHBondContact O-CD2 3.33Å; L474-F478 VanDerWaalsContact O-CG 3.26Å; L474-F478 WeakPolarHBondContact O-CG 3.36Å; L474-F478 PolarHBondContact O-N 3.44Å
475L87.8Confident91Very high67 Ų6734.1 Ų34.135%0.35120%0.197SC..Hα-helixtrans-60.6-45.3176177.362.9000111.4I90 R471 I472 S477 T479I90-L475 HydrophobicContact CD1-CD1 4.35Å; I90-L475 HydrophobicContact CG2-CB 4.45Å; I90-L475 HydrophobicContact CG2-CD1 4.25Å; I90-L475 HydrophobicContact CG2-CD2 4.22Å; R471-L475 WeakPolarHBondContact O-CB 3.28Å; R471-L475 PolarHBondContact O-N 3.09Å; I472-L475 WeakPolarHBondContact O-CB 3.38Å; I472-L475 PolarHBondContact O-N 2.95Å; L475-S477 VanDerWaalsContact C-N 3.32Å; L475-T479 VanDerWaalsContact O-CB 3.31Å; L475-T479 WeakPolarHBondContact O-CB 3.48Å; L475-T479 PolarHBondContact O-N 3.47Å; L475-T479 VanDerWaalsContact O-N 3.08Å; L475-T479 PolarHBondContact O-OG1 3.43Å
476I91Very high90.9Very high74 Ų7437.2 Ų37.238%0.37922%0.223SC..Hα-helixtrans-61.5-44174.2-65165.7000109.9V316 I472 G473 L474 T479 A480V316-I476 HydrophobicContact CG1-CG2 4.04Å; V316-I476 HydrophobicContact CG2-CB 4.12Å; V316-I476 HydrophobicContact CG2-CD1 4.4Å; V316-I476 HydrophobicContact CG2-CG2 4.13Å; I472-I476 HydrophobicContact CG2-CD1 3.91Å; I472-I476 WeakPolarHBondContact O-CG1 3.43Å; I472-I476 PolarHBondContact O-N 3.23Å; G473-I476 PolarHBondContact O-N 3.49Å; L474-I476 VanDerWaalsContact C-N 3.35Å; L474-I476 PolarHBondContact O-N 3.05Å; I476-T479 PolarHBondContact O-N 2.71Å; I476-A480 HydrophobicContact CG2-CB 4.27Å; I476-A480 WeakPolarHBondContact O-CA 3.41Å; I476-A480 WeakPolarHBondContact O-CB 3.17Å; I476-A480 PolarHBondContact O-N 3.42Å
477S90.9Very high90.8Very high1 Ų139.8 Ų39.81%0.00725%0.251CS..Hα-helixtrans-59.7-53179.7-1610000112.1V316 A320 G473 L474 L475 T479 L481 P482V316-S477 WeakPolarHBondContact O-CB 3.47Å; V316-S477 PolarHBondContact O-OG 3.48Å; A320-S477 VanDerWaalsContact CB-OG 3.27Å; A320-S477 WeakPolarHBondContact CB-OG 3.44Å; G473-S477 WeakPolarHBondContact O-CB 3.3Å; G473-S477 PolarHBondContact O-N 3.27Å; L474-S477 WeakPolarHBondContact O-CB 3.47Å; L474-S477 PolarHBondContact O-N 3.02Å; L475-S477 VanDerWaalsContact C-N 3.32Å; S477-T479 VanDerWaalsContact C-N 3.27Å; S477-T479 PolarHBondContact O-N 2.8Å; S477-L481 WeakPolarHBondContact O-CB 3.44Å; S477-L481 PolarHBondContact O-N 3.17Å; S477-L481 WeakPolarHBondContact OG-CD1 3.41Å; S477-P482 WeakPolarHBondContact O-CD 3.43Å
478F87.1Confident90.7Very high79 Ų7940.5 Ų40.535%0.34625%0.254SS..Hα-helixtrans-68.3-23.9-177.7-62.8-31.5000113.6A320 Q323 L474 P482A320-F478 HydrophobicContact CB-CD1 3.7Å; A320-F478 HydrophobicContact CB-CE1 3.18Å; A320-F478 HydrophobicContact CB-CZ 3.82Å; Q323-F478 HydrophobicContact CG-CD1 4.28Å; Q323-F478 HydrophobicContact CG-CE1 4.39Å; Q323-F478 VanDerWaalsContact NE2-CE1 3.34Å; L474-F478 HydrophobicContact CB-CD2 4.46Å; L474-F478 HydrophobicContact CB-CE2 4.13Å; L474-F478 HydrophobicContact CD2-CZ 4.42Å; L474-F478 WeakPolarHBondContact O-CB 3.23Å; L474-F478 VanDerWaalsContact O-CD2 3.3Å; L474-F478 WeakPolarHBondContact O-CD2 3.33Å; L474-F478 VanDerWaalsContact O-CG 3.26Å; L474-F478 WeakPolarHBondContact O-CG 3.36Å; L474-F478 PolarHBondContact O-N 3.44Å; F478-P482 WeakPolarHBondContact O-CG 3.33Å
479T87.8Confident90.7Very high89 Ų8941 Ų4155%0.54626%0.26SS..Hα-helixtrans-94-54.3179.8-49.70000111.5L475 I476 S477 A483L475-T479 VanDerWaalsContact O-CB 3.31Å; L475-T479 WeakPolarHBondContact O-CB 3.48Å; L475-T479 PolarHBondContact O-N 3.47Å; L475-T479 VanDerWaalsContact O-N 3.08Å; L475-T479 PolarHBondContact O-OG1 3.43Å; I476-T479 PolarHBondContact O-N 2.71Å; S477-T479 VanDerWaalsContact C-N 3.27Å; S477-T479 PolarHBondContact O-N 2.8Å; T479-A483 VanDerWaalsContact O-CB 3.27Å; T479-A483 WeakPolarHBondContact O-CB 3.35Å; T479-A483 PolarHBondContact O-N 3.21Å
480A91.1Very high90.5Very high36 Ų3648 Ų4830%0.29830%0.296SS..Hα-helixtrans-79.4-43.4-169.400000112.7I476 A483 I484I476-A480 HydrophobicContact CG2-CB 4.27Å; I476-A480 WeakPolarHBondContact O-CA 3.41Å; I476-A480 WeakPolarHBondContact O-CB 3.17Å; I476-A480 PolarHBondContact O-N 3.42Å; A480-A483 PolarHBondContact O-N 2.91Å; A480-I484 HydrophobicContact CB-CD1 4.48Å; A480-I484 WeakPolarHBondContact O-CB 3.3Å; A480-I484 WeakPolarHBondContact O-CD1 3.41Å; A480-I484 WeakPolarHBondContact O-CG1 3.36Å; A480-I484 PolarHBondContact O-N 3.42Å
481L91.5Very high90.3Very high4 Ų452.7 Ų52.72%0.02132%0.324CS..Hα-helixtrans-69.1-45.3-173.8-59.9-178.8000112.8V316 Y324 S477 A483 I484 Y485 V496 V500V316-L481 WeakPolarHBondContact O-CD1 3.42Å; Y324-L481 HydrophobicContact CD1-CB 3.96Å; Y324-L481 HydrophobicContact CD1-CD1 4.2Å; Y324-L481 HydrophobicContact CE1-CB 4.3Å; Y324-L481 HydrophobicContact CE1-CD1 3.71Å; S477-L481 WeakPolarHBondContact O-CB 3.44Å; S477-L481 PolarHBondContact O-N 3.17Å; S477-L481 WeakPolarHBondContact OG-CD1 3.41Å; L481-A483 VanDerWaalsContact C-N 3.32Å; L481-A483 PolarHBondContact O-N 3.06Å; L481-I484 HydrophobicContact CD2-CD1 4.36Å; L481-I484 PolarHBondContact O-N 3.02Å; L481-Y485 PolarHBondContact O-N 3.42Å; L481-V496 HydrophobicContact CB-CG2 3.97Å; L481-V496 HydrophobicContact CD2-CG2 4.19Å; L481-V500 HydrophobicContact CD1-CG2 3.78Å; L481-V500 HydrophobicContact CD2-CG2 3.99Å
482P89.1Confident90.4Very high38 Ų3855.6 Ų55.625%0.24734%0.337CS..Hα-helixtrans-60.5-38.6171-26.937.2000113.1Q323 S477 F478 Y485 A486Q323-P482 HydrophobicContact CB-CG 4.46Å; S477-P482 WeakPolarHBondContact O-CD 3.43Å; F478-P482 WeakPolarHBondContact O-CG 3.33Å; P482-Y485 PolarHBondContact O-N 2.83Å; P482-A486 WeakPolarHBondContact O-CB 3.3Å; P482-A486 PolarHBondContact O-N 3.47Å
483A88.9Confident90.2Very high62 Ų6254 Ų5451%0.51233%0.33SS..Hα-helixtrans-65.6-42.2177.200000112.4T479 A480 L481 A486 G487T479-A483 VanDerWaalsContact O-CB 3.27Å; T479-A483 WeakPolarHBondContact O-CB 3.35Å; T479-A483 PolarHBondContact O-N 3.21Å; A480-A483 PolarHBondContact O-N 2.91Å; L481-A483 VanDerWaalsContact C-N 3.32Å; L481-A483 PolarHBondContact O-N 3.06Å; A483-A486 PolarHBondContact O-N 3.25Å; A483-G487 PolarHBondContact O-N 3Å
484I92.3Very high90.1Very high52 Ų5254 Ų5427%0.26733%0.331SS..Hα-helixtrans-60.9-45.9173.7-73163.5000110.2A480 L481 G487 T488 V496 I499A480-I484 HydrophobicContact CB-CD1 4.48Å; A480-I484 WeakPolarHBondContact O-CB 3.3Å; A480-I484 WeakPolarHBondContact O-CD1 3.41Å; A480-I484 WeakPolarHBondContact O-CG1 3.36Å; A480-I484 PolarHBondContact O-N 3.42Å; L481-I484 HydrophobicContact CD2-CD1 4.36Å; L481-I484 PolarHBondContact O-N 3.02Å; I484-G487 PolarHBondContact O-N 3.47Å; I484-T488 WeakPolarHBondContact O-CB 3.24Å; I484-T488 WeakPolarHBondContact O-CG2 3.3Å; I484-T488 PolarHBondContact O-N 3.48Å; I484-T488 PolarHBondContact O-OG1 3.38Å; I484-V496 HydrophobicContact CG2-CB 4.29Å; I484-I499 HydrophobicContact CD1-CD1 4.13Å; I484-I499 HydrophobicContact CG2-CD1 3.68Å
485Y90.4Very high90.3Very high18 Ų1854.3 Ų54.37%0.07133%0.333CS..Hα-helixtrans-60.7-48.3176.7178.6-100.6000111V327 Y328 L481 P482 G487 T488 V489 P493 V496V327-Y485 HydrophobicContact CB-CE1 4.22Å; V327-Y485 HydrophobicContact CG1-CD1 4.23Å; V327-Y485 HydrophobicContact CG1-CE1 3.62Å; Y328-Y485 WeakPolarHBondContact CA-OH 3.5Å; Y328-Y485 AromaticContact CD2-CE2 3.88Å; Y328-Y485 HydrophobicContact CD2-CE2 3.88Å; L481-Y485 PolarHBondContact O-N 3.42Å; P482-Y485 PolarHBondContact O-N 2.83Å; Y485-G487 VanDerWaalsContact C-N 3.29Å; Y485-G487 PolarHBondContact O-N 3.35Å; Y485-T488 PolarHBondContact O-N 3.25Å; Y485-T488 PolarHBondContact O-OG1 3.45Å; Y485-V489 HydrophobicContact CE1-CB 4.26Å; Y485-V489 HydrophobicContact CE1-CG2 4.03Å; Y485-V489 HydrophobicContact CE2-CB 4.48Å; Y485-V489 HydrophobicContact CE2-CG2 4.26Å; Y485-V489 WeakPolarHBondContact O-CB 3.37Å; Y485-V489 PolarHBondContact O-N 3.3Å; Y485-V489 WeakPolarHBondContact OH-CG2 3.44Å; Y485-P493 HydrophobicContact CE2-CB 4.28Å; Y485-V496 HydrophobicContact CD2-CG1 3.81Å; Y485-V496 HydrophobicContact CG-CG1 4.44Å
486A90.2Very high90.6Very high68 Ų6851.1 Ų51.156%0.56232%0.317SS*.Hα-helixtrans-58.2-38.9178.200000112.7P482 A483P482-A486 WeakPolarHBondContact O-CB 3.3Å; P482-A486 PolarHBondContact O-N 3.47Å; A483-A486 PolarHBondContact O-N 3.25Å
487G91.3Very high90.8Very high65 Ų6547.7 Ų47.767%0.6730%0.299SS*.Hα-helixtrans-74.8-19.8176.900000114.9A483 I484 Y485A483-G487 PolarHBondContact O-N 3Å; I484-G487 PolarHBondContact O-N 3.47Å; Y485-G487 VanDerWaalsContact C-N 3.29Å; Y485-G487 PolarHBondContact O-N 3.35Å
488T92.9Very high91Very high25 Ų2551.6 Ų51.615%0.15332%0.319CS..Hα-helixtrans-114.8-7.9-173.658.10000114.2I484 Y485 L490 T491 F492 T495I484-T488 WeakPolarHBondContact O-CB 3.24Å; I484-T488 WeakPolarHBondContact O-CG2 3.3Å; I484-T488 PolarHBondContact O-N 3.48Å; I484-T488 PolarHBondContact O-OG1 3.38Å; Y485-T488 PolarHBondContact O-N 3.25Å; Y485-T488 PolarHBondContact O-OG1 3.45Å; T488-L490 PolarHBondContact O-N 3.48Å; T488-L490 VanDerWaalsContact O-N 3.15Å; T488-T491 PolarHBondContact O-N 2.8Å; T488-T491 VanDerWaalsContact O-N 3.13Å; T488-T491 PolarHBondContact O-OG1 2.95Å; T488-F492 CarbonylContact O-C 3.56Å; T488-F492 WeakPolarHBondContact O-CA 3.46Å; T488-F492 PolarHBondContact O-N 3.08Å; T488-T495 HydrophobicContact CG2-CG2 3.95Å
489V90Very high91.4Very high53 Ų5350.4 Ų50.432%0.32132%0.316SS..THydrogen-bonded Turntrans-58.2-30.6-176.868.50000113.7Y485 P493Y485-V489 HydrophobicContact CE1-CB 4.26Å; Y485-V489 HydrophobicContact CE1-CG2 4.03Å; Y485-V489 HydrophobicContact CE2-CB 4.48Å; Y485-V489 HydrophobicContact CE2-CG2 4.26Å; Y485-V489 WeakPolarHBondContact O-CB 3.37Å; Y485-V489 PolarHBondContact O-N 3.3Å; Y485-V489 WeakPolarHBondContact OH-CG2 3.44Å; V489-P493 WeakPolarHBondContact O-CG 3.29Å
490L89.1Confident91.8Very high169 Ų16946.2 Ų46.289%0.88529%0.29SS*.THydrogen-bonded Turntrans-80.5-28.3179.9-63179.1000113.6T488T488-L490 PolarHBondContact O-N 3.48Å; T488-L490 VanDerWaalsContact O-N 3.15Å
491T89.6Confident92.1Very high116 Ų11645.7 Ų45.771%0.71228%0.283SS*.THydrogen-bonded Turntrans-102.1-50.1-175.451.60000111.4T488T488-T491 PolarHBondContact O-N 2.8Å; T488-T491 VanDerWaalsContact O-N 3.13Å; T488-T491 PolarHBondContact O-OG1 2.95Å
492F91.5Very high92.4Very high71 Ų7149.7 Ų49.731%0.31130%0.304SS..  trans-153.486.3-176.3-169.1-135.9000110.8Y418 T488 G494 T495 I498Y418-F492 HydrophobicContact CE1-CE2 4.3Å; Y418-F492 WeakPolarHBondContact OH-CD2 3.49Å; Y418-F492 WeakPolarHBondContact OH-CE2 3.48Å; T488-F492 CarbonylContact O-C 3.56Å; T488-F492 WeakPolarHBondContact O-CA 3.46Å; T488-F492 PolarHBondContact O-N 3.08Å; F492-G494 PolarHBondContact O-N 3.34Å; F492-T495 WeakPolarHBondContact CB-OG1 3.27Å; F492-T495 WeakPolarHBondContact CD1-OG1 3.47Å; F492-T495 WeakPolarHBondContact O-CB 3.41Å; F492-T495 PolarHBondContact O-N 3.22Å; F492-T495 PolarHBondContact O-OG1 2.92Å; F492-I498 HydrophobicContact CE1-CD1 3.42Å; F492-I498 VanDerWaalsContact CE1-CD1 3.42Å; F492-I498 HydrophobicContact CZ-CD1 3.86Å
493P88.5Confident92.7Very high21 Ų2149.3 Ų49.314%0.13630%0.299CS..THydrogen-bonded Turntrans-53.9-27.3179.1-23.327.4000114.2Y328 Y418 Y485 V489 T495Y328-P493 HydrophobicContact CD2-CB 4.44Å; Y328-P493 HydrophobicContact CE2-CB 4.17Å; Y418-P493 HydrophobicContact CD1-CB 4.42Å; Y418-P493 HydrophobicContact CD2-CG 4.07Å; Y418-P493 HydrophobicContact CE2-CG 4.03Å; Y418-P493 HydrophobicContact CG-CB 4.43Å; Y418-P493 HydrophobicContact CG-CG 4.45Å; Y485-P493 HydrophobicContact CE2-CB 4.28Å; V489-P493 WeakPolarHBondContact O-CG 3.29Å; P493-T495 PolarHBondContact O-N 2.92Å
494G91Very high93.1Very high1 Ų146.3 Ų46.31%0.0127%0.274CS..THydrogen-bonded Turntrans-69.2-12.9178.400000115.1F492 V496 F497 I498F492-G494 PolarHBondContact O-N 3.34Å; G494-V496 VanDerWaalsContact C-N 3.34Å; G494-V496 PolarHBondContact O-N 3.45Å; G494-F497 WeakPolarHBondContact O-CB 3.32Å; G494-F497 PolarHBondContact O-N 3.29Å; G494-F497 VanDerWaalsContact O-N 3.08Å; G494-I498 PolarHBondContact O-N 3.35Å
495T93.9Very high93.3Very high32 Ų3247.6 Ų47.620%0.19628%0.281CS..Hα-helixtrans-57.7-43.7-171.9-53.40000112.8T488 F492 P493 F497 I498 I499T488-T495 HydrophobicContact CG2-CG2 3.95Å; F492-T495 WeakPolarHBondContact CB-OG1 3.27Å; F492-T495 WeakPolarHBondContact CD1-OG1 3.47Å; F492-T495 WeakPolarHBondContact O-CB 3.41Å; F492-T495 PolarHBondContact O-N 3.22Å; F492-T495 PolarHBondContact O-OG1 2.92Å; P493-T495 PolarHBondContact O-N 2.92Å; T495-F497 PolarHBondContact O-N 2.98Å; T495-I498 PolarHBondContact O-N 3.43Å; T495-I498 VanDerWaalsContact O-N 3.15Å; T495-I499 HydrophobicContact CG2-CD1 3.99Å; T495-I499 PolarHBondContact O-N 3.34Å
496V93.7Very high93.7Very high0 Ų050.6 Ų50.60%030%0.298CS..Hα-helixtrans-58.7-38.9179.767.50000111.4Y324 L481 I484 Y485 G494 I499 V500Y324-V496 HydrophobicContact CD2-CG1 3.98Å; Y324-V496 HydrophobicContact CD2-CG2 4.06Å; Y324-V496 HydrophobicContact CE2-CG1 4.37Å; Y324-V496 HydrophobicContact CE2-CG2 4.36Å; Y324-V496 HydrophobicContact CG-CG2 4.25Å; L481-V496 HydrophobicContact CB-CG2 3.97Å; L481-V496 HydrophobicContact CD2-CG2 4.19Å; I484-V496 HydrophobicContact CG2-CB 4.29Å; Y485-V496 HydrophobicContact CD2-CG1 3.81Å; Y485-V496 HydrophobicContact CG-CG1 4.44Å; G494-V496 VanDerWaalsContact C-N 3.34Å; G494-V496 PolarHBondContact O-N 3.45Å; V496-I499 PolarHBondContact O-N 2.93Å; V496-V500 VanDerWaalsContact O-CG2 3.25Å; V496-V500 WeakPolarHBondContact O-CG2 3.48Å; V496-V500 PolarHBondContact O-N 3.18Å
497F95.5Very high94Very high1 Ų147.3 Ų47.30%0.00427%0.271CS..Hα-helixtrans-69.7-37.1179.4-61.1-81.7000112Y324 V325 Y328 V414 G494 T495 V500 V501Y324-F497 HydrophobicContact CD2-CE1 4.24Å; Y324-F497 HydrophobicContact CD2-CZ 4.24Å; Y324-F497 HydrophobicContact CE2-CD1 4.1Å; Y324-F497 AromaticContact CE2-CE1 3.65Å; Y324-F497 HydrophobicContact CE2-CE1 3.65Å; Y324-F497 HydrophobicContact CE2-CZ 4.11Å; V325-F497 HydrophobicContact CG2-CE1 4.06Å; V325-F497 HydrophobicContact CG2-CZ 4.48Å; Y328-F497 AromaticContact CD1-CE2 3.92Å; Y328-F497 HydrophobicContact CD1-CE2 3.92Å; Y328-F497 AromaticContact CD1-CZ 3.61Å; Y328-F497 HydrophobicContact CD1-CZ 3.61Å; Y328-F497 AromaticContact CD2-CE2 3.75Å; Y328-F497 HydrophobicContact CD2-CE2 3.75Å; Y328-F497 HydrophobicContact CD2-CZ 4.22Å; Y328-F497 HydrophobicContact CE1-CE2 4.02Å; Y328-F497 AromaticContact CE1-CZ 3.96Å; Y328-F497 HydrophobicContact CE1-CZ 3.96Å; Y328-F497 AromaticContact CE2-CE2 3.87Å; Y328-F497 HydrophobicContact CE2-CE2 3.87Å; Y328-F497 AromaticContact CG-CE2 3.75Å; Y328-F497 HydrophobicContact CG-CE2 3.75Å; Y328-F497 AromaticContact CG-CZ 3.73Å; Y328-F497 HydrophobicContact CG-CZ 3.73Å; Y328-F497 AromaticContact CZ-CE2 3.98Å; V414-F497 HydrophobicContact CB-CD1 4.38Å; V414-F497 HydrophobicContact CB-CE1 4.21Å; V414-F497 HydrophobicContact CG1-CD1 4.01Å; V414-F497 HydrophobicContact CG1-CE1 3.39Å; V414-F497 HydrophobicContact CG1-CE2 4.4Å; V414-F497 HydrophobicContact CG1-CZ 3.63Å; G494-F497 WeakPolarHBondContact O-CB 3.32Å; G494-F497 PolarHBondContact O-N 3.29Å; G494-F497 VanDerWaalsContact O-N 3.08Å; T495-F497 PolarHBondContact O-N 2.98Å; F497-V500 PolarHBondContact O-N 3.41Å; F497-V501 VanDerWaalsContact O-CG2 3.3Å; F497-V501 WeakPolarHBondContact O-CG2 3.29Å; F497-V501 PolarHBondContact O-N 2.73Å
498I95.7Very high94.3Very high84 Ų8445 Ų4543%0.43124%0.243SC..Hα-helixtrans-64.7-44.4175.6-65.1177.6000110.7F492 G494 T495 V500 V501 I502F492-I498 HydrophobicContact CE1-CD1 3.42Å; F492-I498 VanDerWaalsContact CE1-CD1 3.42Å; F492-I498 HydrophobicContact CZ-CD1 3.86Å; G494-I498 PolarHBondContact O-N 3.35Å; T495-I498 PolarHBondContact O-N 3.43Å; T495-I498 VanDerWaalsContact O-N 3.15Å; I498-V500 VanDerWaalsContact C-N 3.3Å; I498-V500 PolarHBondContact O-N 3.04Å; I498-V501 WeakPolarHBondContact O-CB 3.44Å; I498-V501 PolarHBondContact O-N 3.44Å; I498-V501 VanDerWaalsContact O-N 3.12Å; I498-I502 HydrophobicContact CG2-CD1 3.98Å; I498-I502 HydrophobicContact CG2-CG1 4.48Å; I498-I502 WeakPolarHBondContact O-CG1 3.49Å; I498-I502 PolarHBondContact O-N 3.41Å
499I95.7Very high94.6Very high54 Ų5448.2 Ų48.228%0.27726%0.258SS..Hα-helixtrans-60.4-43.5177.1-70.2167.9000110.4I484 T495 V496 V501 I502 I503I484-I499 HydrophobicContact CD1-CD1 4.13Å; I484-I499 HydrophobicContact CG2-CD1 3.68Å; T495-I499 HydrophobicContact CG2-CD1 3.99Å; T495-I499 PolarHBondContact O-N 3.34Å; V496-I499 PolarHBondContact O-N 2.93Å; I499-V501 VanDerWaalsContact C-N 3.33Å; I499-V501 PolarHBondContact O-N 2.97Å; I499-I502 PolarHBondContact O-N 3.45Å; I499-I503 HydrophobicContact CG2-CD1 4.01Å; I499-I503 WeakPolarHBondContact O-CG1 3.42Å; I499-I503 PolarHBondContact O-N 3.32Å
500V96.1Very high94.9Very high0 Ų047.4 Ų47.40%025%0.252CS..Hα-helixtrans-61.8-39.9175.3172.40000111.4S317 R411 L481 V496 F497 I498 I503 M504S317-V500 WeakPolarHBondContact O-CG1 3.3Å; R411-V500 HydrophobicContact CG-CG1 3.99Å; L481-V500 HydrophobicContact CD1-CG2 3.78Å; L481-V500 HydrophobicContact CD2-CG2 3.99Å; V496-V500 VanDerWaalsContact O-CG2 3.25Å; V496-V500 WeakPolarHBondContact O-CG2 3.48Å; V496-V500 PolarHBondContact O-N 3.18Å; F497-V500 PolarHBondContact O-N 3.41Å; I498-V500 VanDerWaalsContact C-N 3.3Å; I498-V500 PolarHBondContact O-N 3.04Å; V500-I503 PolarHBondContact O-N 3.01Å; V500-M504 HydrophobicContact CG1-CE 4.04Å; V500-M504 HydrophobicContact CG1-SD 4.44Å; V500-M504 VanDerWaalsContact O-CG 3.31Å; V500-M504 WeakPolarHBondContact O-CG 3.43Å; V500-M504 PolarHBondContact O-N 3.42Å
501V97.1Very high95.3Very high25 Ų2539.3 Ų39.315%0.15221%0.209CC..Hα-helixtrans-63.4-40.8173.9170.50000111.9M408 R411 F497 I498 I499 M504 L505M408-V501 HydrophobicContact CE-CG1 4.01Å; R411-V501 HydrophobicContact CB-CG2 3.6Å; F497-V501 VanDerWaalsContact O-CG2 3.3Å; F497-V501 WeakPolarHBondContact O-CG2 3.29Å; F497-V501 PolarHBondContact O-N 2.73Å; I498-V501 WeakPolarHBondContact O-CB 3.44Å; I498-V501 PolarHBondContact O-N 3.44Å; I498-V501 VanDerWaalsContact O-N 3.12Å; I499-V501 VanDerWaalsContact C-N 3.33Å; I499-V501 PolarHBondContact O-N 2.97Å; V501-M504 HydrophobicContact CB-CE 4.46Å; V501-M504 HydrophobicContact CG2-CE 4Å; V501-M504 PolarHBondContact O-N 2.93Å; V501-L505 WeakPolarHBondContact O-CB 3.36Å; V501-L505 PolarHBondContact O-N 3.02Å
502I97Very high95.6Very high89 Ų8938.5 Ų38.546%0.45620%0.2SC..Hα-helixtrans-63.2-44.9176.6-67165.4000110.6I498 I499 M504 L505 I506I498-I502 HydrophobicContact CG2-CD1 3.98Å; I498-I502 HydrophobicContact CG2-CG1 4.48Å; I498-I502 WeakPolarHBondContact O-CG1 3.49Å; I498-I502 PolarHBondContact O-N 3.41Å; I499-I502 PolarHBondContact O-N 3.45Å; I502-M504 VanDerWaalsContact C-N 3.32Å; I502-M504 PolarHBondContact O-N 3.22Å; I502-L505 WeakPolarHBondContact O-CB 3.19Å; I502-L505 PolarHBondContact O-N 3.16Å; I502-I506 HydrophobicContact CG2-CD1 4.23Å; I502-I506 WeakPolarHBondContact O-CG1 3.29Å; I502-I506 PolarHBondContact O-N 3.1Å
503I96.8Very high95.8Very high29 Ų2937.9 Ų37.915%0.14920%0.202CC..Hα-helixtrans-61.8-41.6176.8-65.1166.8000110.8L313 V316 I499 V500 I506 T507L313-I503 HydrophobicContact CB-CG2 4.06Å; L313-I503 HydrophobicContact CD2-CG2 4.08Å; V316-I503 HydrophobicContact CG1-CD1 3.97Å; I499-I503 HydrophobicContact CG2-CD1 4.01Å; I499-I503 WeakPolarHBondContact O-CG1 3.42Å; I499-I503 PolarHBondContact O-N 3.32Å; V500-I503 PolarHBondContact O-N 3.01Å; I503-I506 PolarHBondContact O-N 3.28Å; I503-T507 PolarHBondContact O-N 3.19Å; I503-T507 PolarHBondContact O-OG1 3.49Å
504M96.8Very high96Very high0 Ų036.9 Ų36.90%020%0.196CC..Hα-helixtrans-66.4-36.5175.4-72.2-173.5-57.100112.5S317 I404 L407 M408 R411 V500 V501 I502 T507 L508S317-M504 WeakPolarHBondContact OG-CG 3.23Å; I404-M504 HydrophobicContact CG2-CB 4.18Å; L407-M504 HydrophobicContact CB-SD 3.91Å; L407-M504 HydrophobicContact CD2-SD 3.66Å; L407-M504 HydrophobicContact CG-SD 3.92Å; M408-M504 HydrophobicContact CB-CE 4.27Å; M408-M504 HydrophobicContact CG-CB 3.75Å; M408-M504 HydrophobicContact CG-CE 3.8Å; M408-M504 HydrophobicContact CG-SD 4.41Å; M408-M504 HydrophobicContact SD-CB 4.4Å; R411-M504 HydrophobicContact CB-CE 3.92Å; R411-M504 HydrophobicContact CG-CE 3.53Å; V500-M504 HydrophobicContact CG1-CE 4.04Å; V500-M504 HydrophobicContact CG1-SD 4.44Å; V500-M504 VanDerWaalsContact O-CG 3.31Å; V500-M504 WeakPolarHBondContact O-CG 3.43Å; V500-M504 PolarHBondContact O-N 3.42Å; V501-M504 HydrophobicContact CB-CE 4.46Å; V501-M504 HydrophobicContact CG2-CE 4Å; V501-M504 PolarHBondContact O-N 2.93Å; I502-M504 VanDerWaalsContact C-N 3.32Å; I502-M504 PolarHBondContact O-N 3.22Å; M504-T507 WeakPolarHBondContact O-CB 3.38Å; M504-T507 PolarHBondContact O-N 2.65Å; M504-L508 WeakPolarHBondContact O-CB 3.46Å; M504-L508 PolarHBondContact O-N 3.07Å
505L97.6Very high96Very high78 Ų7838.7 Ų38.741%0.40821%0.207SC..Hα-helixtrans-63.9-42.4174.7179.462.9000111.3M408 V501 I502 T507 L508 I509M408-L505 HydrophobicContact CE-CB 3.96Å; M408-L505 HydrophobicContact CE-CD1 4.05Å; V501-L505 WeakPolarHBondContact O-CB 3.36Å; V501-L505 PolarHBondContact O-N 3.02Å; I502-L505 WeakPolarHBondContact O-CB 3.19Å; I502-L505 PolarHBondContact O-N 3.16Å; L505-T507 VanDerWaalsContact C-N 3.3Å; L505-T507 PolarHBondContact O-N 2.78Å; L505-L508 WeakPolarHBondContact O-CB 3.42Å; L505-L508 PolarHBondContact O-N 2.95Å; L505-I509 HydrophobicContact CD1-CD1 4.47Å; L505-I509 HydrophobicContact CG-CD1 4.18Å; L505-I509 VanDerWaalsContact O-CG1 3.3Å; L505-I509 WeakPolarHBondContact O-CG1 3.46Å; L505-I509 PolarHBondContact O-N 2.9Å
506I97.8Very high95.9Very high81 Ų8142.7 Ų42.742%0.41523%0.227SC..Hα-helixtrans-60.9-43.6173.6-64.1165.4000110.1L313 I502 I503 L508 I509 I510L313-I506 HydrophobicContact CD1-CB 4.5Å; L313-I506 HydrophobicContact CD1-CG2 3.82Å; I502-I506 HydrophobicContact CG2-CD1 4.23Å; I502-I506 WeakPolarHBondContact O-CG1 3.29Å; I502-I506 PolarHBondContact O-N 3.1Å; I503-I506 PolarHBondContact O-N 3.28Å; I506-L508 VanDerWaalsContact C-N 3.32Å; I506-L508 PolarHBondContact O-N 2.89Å; I506-I509 PolarHBondContact O-N 3.3Å; I506-I510 HydrophobicContact CG2-CD1 4.04Å; I506-I510 WeakPolarHBondContact O-CG1 3.47Å; I506-I510 PolarHBondContact O-N 3.48Å
507T97.2Very high95.6Very high0 Ų044.4 Ų44.40%024%0.237CC..Hα-helixtrans-60.3-42.2176.8-51.10000111.7M310 L313 F400 I503 M504 L505 I510 D511M310-T507 HydrophobicContact CB-CG2 4.25Å; M310-T507 HydrophobicContact CG-CG2 4.29Å; L313-T507 WeakPolarHBondContact CB-OG1 3.44Å; F400-T507 HydrophobicContact CE1-CG2 4.12Å; F400-T507 HydrophobicContact CZ-CG2 4.29Å; I503-T507 PolarHBondContact O-N 3.19Å; I503-T507 PolarHBondContact O-OG1 3.49Å; M504-T507 WeakPolarHBondContact O-CB 3.38Å; M504-T507 PolarHBondContact O-N 2.65Å; L505-T507 VanDerWaalsContact C-N 3.3Å; L505-T507 PolarHBondContact O-N 2.78Å; T507-I510 PolarHBondContact O-N 3.31Å; T507-D511 PolarHBondContact O-N 3.32Å
508L97.6Very high95.2Very high16 Ų1644.8 Ų44.88%0.08424%0.239CC..Hα-helixtrans-63.6-42.8176.4-178.264.6000111.8A401 I404 I405 M408 M504 L505 I506 I510 D511 L512A401-L508 HydrophobicContact CB-CD1 3.66Å; I404-L508 HydrophobicContact CB-CD1 4.49Å; I404-L508 HydrophobicContact CG2-CB 3.95Å; I404-L508 HydrophobicContact CG2-CD1 4.4Å; I405-L508 HydrophobicContact CD1-CD2 4.36Å; I405-L508 HydrophobicContact CG1-CD1 4.31Å; I405-L508 HydrophobicContact CG1-CD2 3.84Å; M408-L508 HydrophobicContact SD-CD2 4.21Å; M504-L508 WeakPolarHBondContact O-CB 3.46Å; M504-L508 PolarHBondContact O-N 3.07Å; L505-L508 WeakPolarHBondContact O-CB 3.42Å; L505-L508 PolarHBondContact O-N 2.95Å; I506-L508 VanDerWaalsContact C-N 3.32Å; I506-L508 PolarHBondContact O-N 2.89Å; L508-I510 VanDerWaalsContact C-N 3.34Å; L508-I510 PolarHBondContact O-N 3.45Å; L508-D511 PolarHBondContact O-N 2.89Å; L508-L512 HydrophobicContact CD1-CD1 4.27Å; L508-L512 HydrophobicContact CD1-CG 4.35Å; L508-L512 HydrophobicContact CG-CD1 4.06Å; L508-L512 HydrophobicContact CG-CG 4.5Å; L508-L512 VanDerWaalsContact O-CG 3.28Å; L508-L512 WeakPolarHBondContact O-CG 3.33Å; L508-L512 PolarHBondContact O-N 3.48Å
509I97.8Very high94.7Very high93 Ų9348.5 Ų48.548%0.47725%0.252SS..Hα-helixtrans-62-43.7177.3-67.9164000110.3L505 I506 D511 L512 V513L505-I509 HydrophobicContact CD1-CD1 4.47Å; L505-I509 HydrophobicContact CG-CD1 4.18Å; L505-I509 VanDerWaalsContact O-CG1 3.3Å; L505-I509 WeakPolarHBondContact O-CG1 3.46Å; L505-I509 PolarHBondContact O-N 2.9Å; I506-I509 PolarHBondContact O-N 3.3Å; I509-D511 PolarHBondContact O-N 3.19Å; I509-L512 PolarHBondContact O-N 3.08Å; I509-V513 HydrophobicContact CG2-CG2 4.35Å; I509-V513 WeakPolarHBondContact O-CB 3.33Å; I509-V513 VanDerWaalsContact O-CG2 3.24Å; I509-V513 WeakPolarHBondContact O-CG2 3.42Å; I509-V513 PolarHBondContact O-N 2.91Å
510I97.4Very high94.2Very high35 Ų3552.4 Ų52.418%0.17927%0.267CS..Hα-helixtrans-60.9-45.8177.4-65.4165.9000110.7M306 M310 L313 I506 T507 L508 L512 V513 L514M306-I510 HydrophobicContact CB-CG2 4.05Å; M306-I510 HydrophobicContact CE-CG2 3.84Å; M306-I510 WeakPolarHBondContact CE-O 3.19Å; M306-I510 HydrophobicContact CG-CG2 4.41Å; M310-I510 HydrophobicContact CG-CB 4.24Å; M310-I510 HydrophobicContact CG-CG2 3.69Å; M310-I510 HydrophobicContact SD-CG2 4.06Å; L313-I510 HydrophobicContact CD1-CD1 3.6Å; I506-I510 HydrophobicContact CG2-CD1 4.04Å; I506-I510 WeakPolarHBondContact O-CG1 3.47Å; I506-I510 PolarHBondContact O-N 3.48Å; T507-I510 PolarHBondContact O-N 3.31Å; L508-I510 VanDerWaalsContact C-N 3.34Å; L508-I510 PolarHBondContact O-N 3.45Å; I510-L512 PolarHBondContact O-N 2.98Å; I510-V513 PolarHBondContact O-N 2.69Å; I510-L514 PolarHBondContact O-N 3.34Å; I510-L514 VanDerWaalsContact O-N 3.07Å
511D96.9Very high93.4Very high0 Ų053.9 Ų53.90%027%0.274CS..Hα-helixtrans-59.8-43.7177.7-175.357.3000112.3M310 I397 F400 T507 L508 I509 V513 L514 P515M310-D511 HydrophobicContact CE-CB 3.8Å; M310-D511 WeakPolarHBondContact CE-OD1 3.39Å; M310-D511 HydrophobicContact SD-CB 4.34Å; I397-D511 VanDerWaalsContact O-OD2 3.11Å; F400-D511 HydrophobicContact CD1-CB 4Å; F400-D511 VanDerWaalsContact CD1-CG 3.48Å; F400-D511 HydrophobicContact CE1-CB 4.31Å; T507-D511 PolarHBondContact O-N 3.32Å; L508-D511 PolarHBondContact O-N 2.89Å; I509-D511 PolarHBondContact O-N 3.19Å; D511-V513 VanDerWaalsContact C-N 3.34Å; D511-V513 PolarHBondContact O-N 3.5Å; D511-L514 VanDerWaalsContact O-CB 3.27Å; D511-L514 WeakPolarHBondContact O-CB 3.27Å; D511-L514 PolarHBondContact O-N 2.94Å; D511-P515 WeakPolarHBondContact O-CD 3.31Å
512L96.2Very high92.4Very high99 Ų9955.1 Ų55.152%0.51828%0.279SS..Hα-helixtrans-71.7-25.4179-67.1175.5000113.7A401 L508 I509 I510 P515A401-L512 HydrophobicContact CB-CD2 4.35Å; L508-L512 HydrophobicContact CD1-CD1 4.27Å; L508-L512 HydrophobicContact CD1-CG 4.35Å; L508-L512 HydrophobicContact CG-CD1 4.06Å; L508-L512 HydrophobicContact CG-CG 4.5Å; L508-L512 VanDerWaalsContact O-CG 3.28Å; L508-L512 WeakPolarHBondContact O-CG 3.33Å; L508-L512 PolarHBondContact O-N 3.48Å; I509-L512 PolarHBondContact O-N 3.08Å; I510-L512 PolarHBondContact O-N 2.98Å; L512-P515 WeakPolarHBondContact O-CD 3.29Å
513V95.7Very high91.4Very high58 Ų5853.3 Ų53.335%0.35228%0.275SS..Hα-helixtrans-81.7-22.7175.2171.70000111.6M306 I509 I510 D511 P515 L516 V517M306-V513 HydrophobicContact CE-CB 4.11Å; M306-V513 HydrophobicContact CE-CG1 3.99Å; I509-V513 HydrophobicContact CG2-CG2 4.35Å; I509-V513 WeakPolarHBondContact O-CB 3.33Å; I509-V513 VanDerWaalsContact O-CG2 3.24Å; I509-V513 WeakPolarHBondContact O-CG2 3.42Å; I509-V513 PolarHBondContact O-N 2.91Å; I510-V513 PolarHBondContact O-N 2.69Å; D511-V513 VanDerWaalsContact C-N 3.34Å; D511-V513 PolarHBondContact O-N 3.5Å; V513-P515 VanDerWaalsContact C-CD 3.46Å; V513-L516 WeakPolarHBondContact O-CB 3.43Å; V513-L516 PolarHBondContact O-N 2.89Å; V513-V517 HydrophobicContact CG1-CG2 4.07Å; V513-V517 PolarHBondContact O-N 3.19Å
514L93.4Very high90.3Very high0 Ų057.6 Ų57.60%029%0.292CS..Hα-helixtrans-52-45.6-177.3-166.967.9000113.9V303 M306 I307 I397 M449 I510 D511 L516 V517 M518V303-L514 HydrophobicContact CB-CD1 4.47Å; V303-L514 HydrophobicContact CG1-CD1 4.05Å; V303-L514 HydrophobicContact CG2-CD1 4.47Å; M306-L514 HydrophobicContact CB-CD1 3.74Å; M306-L514 HydrophobicContact CE-CB 4.15Å; M306-L514 HydrophobicContact CE-CD1 3.96Å; M306-L514 HydrophobicContact CG-CD1 4.41Å; M306-L514 HydrophobicContact SD-CD1 3.83Å; I307-L514 HydrophobicContact CG1-CD1 4.46Å; I307-L514 HydrophobicContact CG1-CD2 4.15Å; I397-L514 HydrophobicContact CD1-CB 4.27Å; I397-L514 HydrophobicContact CD1-CD2 4.05Å; I397-L514 HydrophobicContact CD1-CG 4.44Å; I397-L514 HydrophobicContact CG1-CD2 4.38Å; M449-L514 HydrophobicContact CE-CD2 3.27Å; I510-L514 PolarHBondContact O-N 3.34Å; I510-L514 VanDerWaalsContact O-N 3.07Å; D511-L514 VanDerWaalsContact O-CB 3.27Å; D511-L514 WeakPolarHBondContact O-CB 3.27Å; D511-L514 PolarHBondContact O-N 2.94Å; L514-L516 VanDerWaalsContact C-N 3.26Å; L514-L516 PolarHBondContact O-N 3.38Å; L514-V517 PolarHBondContact O-N 3.04Å; L514-M518 HydrophobicContact CG-SD 4.2Å; L514-M518 VanDerWaalsContact O-CG 3.3Å; L514-M518 WeakPolarHBondContact O-CG 3.34Å; L514-M518 PolarHBondContact O-N 3.04Å
515P90.5Very high89Confident38 Ų3860.6 Ų60.625%0.24731%0.308CS..Hα-helixtrans-60.5-33.4177-20.932000113.6I397 D511 L512 V513 K519I397-P515 HydrophobicContact CD1-CG 3.63Å; I397-P515 HydrophobicContact CG2-CG 4.43Å; D511-P515 WeakPolarHBondContact O-CD 3.31Å; L512-P515 WeakPolarHBondContact O-CD 3.29Å; V513-P515 VanDerWaalsContact C-CD 3.46Å; P515-K519 WeakPolarHBondContact O-CB 3.3Å; P515-K519 PolarHBondContact O-N 2.84Å
516L90.5Very high87.7Confident117 Ų11763.4 Ų63.461%0.61332%0.317SS*.Hα-helixtrans-68.2-42.3180-58.7175.9000110.6V513 L514 K519 K520V513-L516 WeakPolarHBondContact O-CB 3.43Å; V513-L516 PolarHBondContact O-N 2.89Å; L514-L516 VanDerWaalsContact C-N 3.26Å; L514-L516 PolarHBondContact O-N 3.38Å; L516-K519 PolarHBondContact O-N 2.86Å; L516-K520 PolarHBondContact O-N 2.91Å
517V89.1Confident86.3Confident36 Ų3664 Ų6422%0.21832%0.321CS..Hα-helixtrans-67.8-42.7177.2179.40000110.7P302 V303 M306 V513 L514 K519 K520 Q521P302-V517 HydrophobicContact CB-CG1 4.08Å; V303-V517 HydrophobicContact CG2-CG1 4.16Å; M306-V517 HydrophobicContact CE-CG2 4.33Å; M306-V517 HydrophobicContact SD-CB 4.01Å; M306-V517 HydrophobicContact SD-CG1 4.19Å; M306-V517 HydrophobicContact SD-CG2 3.68Å; V513-V517 HydrophobicContact CG1-CG2 4.07Å; V513-V517 PolarHBondContact O-N 3.19Å; L514-V517 PolarHBondContact O-N 3.04Å; V517-K519 VanDerWaalsContact C-N 3.34Å; V517-K519 PolarHBondContact O-N 3.05Å; V517-K520 PolarHBondContact O-N 3.39Å; V517-Q521 PolarHBondContact O-N 3.42Å
518M86.4Confident84.9Confident8 Ų868.2 Ų68.24%0.03934%0.344CS..Hα-helixtrans-60-43174.7-68.7175.670.700112V303 Y389 M393 L514 K520 Q521 N522V303-M518 HydrophobicContact CG1-CG 4.27Å; V303-M518 HydrophobicContact CG2-CG 3.63Å; Y389-M518 HydrophobicContact CD1-CE 4.2Å; Y389-M518 HydrophobicContact CE1-CE 3.21Å; Y389-M518 WeakPolarHBondContact OH-CE 3.32Å; M393-M518 HydrophobicContact CB-CE 4.07Å; M393-M518 HydrophobicContact CE-CE 4.07Å; M393-M518 HydrophobicContact CE-SD 4.37Å; M393-M518 HydrophobicContact CG-CE 3.75Å; M393-M518 HydrophobicContact CG-SD 3.69Å; L514-M518 HydrophobicContact CG-SD 4.2Å; L514-M518 VanDerWaalsContact O-CG 3.3Å; L514-M518 WeakPolarHBondContact O-CG 3.34Å; L514-M518 PolarHBondContact O-N 3.04Å; M518-K520 VanDerWaalsContact C-N 3.32Å; M518-K520 PolarHBondContact O-N 2.91Å; M518-Q521 PolarHBondContact O-N 3.43Å; M518-N522 WeakPolarHBondContact O-CB 3.47Å; M518-N522 VanDerWaalsContact O-CG 3.28Å; M518-N522 PolarHBondContact O-N 3.08Å
519K84.8Confident83.4Confident163 Ų16372 Ų7271%0.70936%0.364SS*.Hα-helixtrans-62.1-40.5176.1-172.4179.5178.4-175.30111.7P515 L516 V517 N522 S523P515-K519 WeakPolarHBondContact O-CB 3.3Å; P515-K519 PolarHBondContact O-N 2.84Å; L516-K519 PolarHBondContact O-N 2.86Å; V517-K519 VanDerWaalsContact C-N 3.34Å; V517-K519 PolarHBondContact O-N 3.05Å; K519-N522 PolarHBondContact O-N 3.44Å; K519-S523 PolarHBondContact O-N 3.12Å
520K84.9Confident81.8Confident135 Ų13573.5 Ų73.559%0.58737%0.369SS*.Hα-helixtrans-67.3-37.5177.2-174.1178-178.5178.50112.8L516 V517 M518 S523 K524L516-K520 PolarHBondContact O-N 2.91Å; V517-K520 PolarHBondContact O-N 3.39Å; M518-K520 VanDerWaalsContact C-N 3.32Å; M518-K520 PolarHBondContact O-N 2.91Å; K520-S523 PolarHBondContact O-OG 2.86Å; K520-K524 WeakPolarHBondContact O-CG 3.35Å; K520-K524 PolarHBondContact O-N 3.42Å
521Q79.9Confident79.4Confident31 Ų3177.1 Ų77.115%0.14539%0.388CS..Hα-helixtrans-68.3-41.9174.1-74.8-169.7-52.700111.6V517 M518 S523 K524 L525 F555V517-Q521 PolarHBondContact O-N 3.42Å; M518-Q521 PolarHBondContact O-N 3.43Å; Q521-S523 VanDerWaalsContact C-N 3.27Å; Q521-S523 PolarHBondContact O-N 3.49Å; Q521-K524 PolarHBondContact O-N 3.49Å; Q521-L525 PolarHBondContact O-N 3.35Å; Q521-L525 VanDerWaalsContact O-N 3.08Å; Q521-F555 HydrophobicContact CB-CE1 4.16Å
522N76.2Confident77.4Confident51 Ų5181.6 Ų81.627%0.27341%0.412SS..Hα-helixtrans-65-28.9177.1-71.7-11.8000113M518 K519 K526 F555M518-N522 WeakPolarHBondContact O-CB 3.47Å; M518-N522 VanDerWaalsContact O-CG 3.28Å; M518-N522 PolarHBondContact O-N 3.08Å; K519-N522 PolarHBondContact O-N 3.44Å; N522-K526 WeakPolarHBondContact O-CG 3.23Å; N522-K526 PolarHBondContact O-N 2.91Å; N522-F555 WeakPolarHBondContact OD1-CZ 3.47Å
523S76.3Confident75.5Confident51 Ų5181.6 Ų81.636%0.35741%0.413SS..Hα-helixtrans-73.2-44.8173.8670000111.5K519 K520 Q521 L525 K526 D527K519-S523 PolarHBondContact O-N 3.12Å; K520-S523 PolarHBondContact O-OG 2.86Å; Q521-S523 VanDerWaalsContact C-N 3.27Å; Q521-S523 PolarHBondContact O-N 3.49Å; S523-L525 VanDerWaalsContact C-N 3.31Å; S523-L525 PolarHBondContact O-N 3.29Å; S523-K526 WeakPolarHBondContact O-CB 3.36Å; S523-K526 PolarHBondContact O-N 3.08Å; S523-D527 VanDerWaalsContact O-CG 3.22Å; S523-D527 PolarHBondContact O-N 3.38Å
524K73.8Confident73.4Confident120 Ų12083.6 Ų83.652%0.52242%0.42SS..Hα-helixtrans-56.5-44.7176.6-74.1-176171.6-160.30112.7K520 Q521 K526 D527 D528K520-K524 WeakPolarHBondContact O-CG 3.35Å; K520-K524 PolarHBondContact O-N 3.42Å; Q521-K524 PolarHBondContact O-N 3.49Å; K524-K526 VanDerWaalsContact C-N 3.28Å; K524-K526 PolarHBondContact O-N 2.91Å; K524-D527 PolarHBondContact O-N 3.32Å; K524-D528 VanDerWaalsContact O-CG 3.26Å; K524-D528 PolarHBondContact O-N 2.83Å
525L70Confident71.3Confident62 Ų6289 Ų8933%0.32545%0.445SS..Hα-helixtrans-61.2-37.4176.9-74.1166.5000112.3Q521 S523 D529 F555Q521-L525 PolarHBondContact O-N 3.35Å; Q521-L525 VanDerWaalsContact O-N 3.08Å; S523-L525 VanDerWaalsContact C-N 3.31Å; S523-L525 PolarHBondContact O-N 3.29Å; L525-D529 WeakPolarHBondContact O-CB 3.22Å; L525-D529 PolarHBondContact O-N 2.69Å; L525-F555 HydrophobicContact CD1-CD1 4.26Å; L525-F555 HydrophobicContact CD1-CE1 4.03Å; L525-F555 HydrophobicContact CD1-CZ 4.46Å
526K69.2Low69.2Low137 Ų13791.2 Ų91.260%0.59646%0.455SS*.Hα-helixtrans-68.5-40.7175.1-73.8179.2176.4-167.40112.1N522 S523 K524 D528 D529 E530N522-K526 WeakPolarHBondContact O-CG 3.23Å; N522-K526 PolarHBondContact O-N 2.91Å; S523-K526 WeakPolarHBondContact O-CB 3.36Å; S523-K526 PolarHBondContact O-N 3.08Å; K524-K526 VanDerWaalsContact C-N 3.28Å; K524-K526 PolarHBondContact O-N 2.91Å; K526-D528 VanDerWaalsContact C-N 3.32Å; K526-D529 PolarHBondContact O-N 2.95Å; K526-E530 WeakPolarHBondContact O-CB 3.26Å; K526-E530 WeakPolarHBondContact O-CG 3.4Å; K526-E530 PolarHBondContact O-N 3.5Å
527D69.1Low67.2Low95 Ų9590.4 Ų90.451%0.50846%0.455SS..Hα-helixtrans-64.2-40.5177.7-58-25.4000110.3S523 K524 E530 L531S523-D527 VanDerWaalsContact O-CG 3.22Å; S523-D527 PolarHBondContact O-N 3.38Å; K524-D527 PolarHBondContact O-N 3.32Å; D527-E530 PolarHBondContact O-N 2.98Å; D527-L531 VanDerWaalsContact O-CB 3.29Å; D527-L531 WeakPolarHBondContact O-CB 3.41Å; D527-L531 PolarHBondContact O-N 3.13Å
528D67.8Low65.3Low88 Ų8895.8 Ų95.847%0.47148%0.475SS..Hα-helixtrans-68.1-41.1175.9-66.3-25.7000111.9K524 K526 L531 N532K524-D528 VanDerWaalsContact O-CG 3.26Å; K524-D528 PolarHBondContact O-N 2.83Å; K526-D528 VanDerWaalsContact C-N 3.32Å; D528-L531 PolarHBondContact O-N 3.39Å; D528-N532 WeakPolarHBondContact O-CB 3.49Å; D528-N532 VanDerWaalsContact O-CG 3.29Å; D528-N532 PolarHBondContact O-N 2.85Å; D528-N532 PolarHBondContact O-ND2 2.78Å
529D65.9Low63.3Low95 Ų95101.4 Ų101.451%0.50850%0.501SS..Hα-helixtrans-65.4-40175.1-76.4-20.8000111.7L525 K526 N533L525-D529 WeakPolarHBondContact O-CB 3.22Å; L525-D529 PolarHBondContact O-N 2.69Å; K526-D529 PolarHBondContact O-N 2.95Å; D529-N533 VanDerWaalsContact O-CB 3.3Å; D529-N533 WeakPolarHBondContact O-CB 3.37Å; D529-N533 VanDerWaalsContact O-CG 3.24Å; D529-N533 PolarHBondContact O-N 3.25Å; D529-N533 PolarHBondContact O-ND2 3.15Å
530E63.9Low61.1Low125 Ų12596.7 Ų96.758%0.58449%0.486SS*.Hα-helixtrans-66.9-41.4174.4-76.5-179.9-168.900111.1K526 D527 N533 I534K526-E530 WeakPolarHBondContact O-CB 3.26Å; K526-E530 WeakPolarHBondContact O-CG 3.4Å; K526-E530 PolarHBondContact O-N 3.5Å; D527-E530 PolarHBondContact O-N 2.98Å; E530-N533 PolarHBondContact O-N 3.29Å; E530-I534 WeakPolarHBondContact O-CD1 3.28Å; E530-I534 WeakPolarHBondContact O-CG1 3.37Å; E530-I534 PolarHBondContact O-N 3.38Å
531L47.5Very low59.3Low110 Ų11098.5 Ų98.558%0.57650%0.497SS*.Hα-helixtrans-65-43.2176.7-165.574.4000111.9D527 D528 I534 H535D527-L531 VanDerWaalsContact O-CB 3.29Å; D527-L531 WeakPolarHBondContact O-CB 3.41Å; D527-L531 PolarHBondContact O-N 3.13Å; D528-L531 PolarHBondContact O-N 3.39Å; L531-I534 PolarHBondContact O-N 2.92Å; L531-H535 PolarHBondContact O-N 2.94Å
532N55Low57.3Low95 Ų95105.7 Ų105.751%0.50853%0.53SS..Hα-helixtrans-66.9-38.7176-76.5-18.4000111.8D528 I534 H535 N536D528-N532 WeakPolarHBondContact O-CB 3.49Å; D528-N532 VanDerWaalsContact O-CG 3.29Å; D528-N532 PolarHBondContact O-N 2.85Å; D528-N532 PolarHBondContact O-ND2 2.78Å; N532-I534 VanDerWaalsContact C-N 3.34Å; N532-H535 PolarHBondContact O-N 3.38Å; N532-N536 WeakPolarHBondContact O-CB 3.5Å; N532-N536 PolarHBondContact O-N 3.43Å
533N54.9Low55.2Low99 Ų99105.8 Ų105.853%0.52954%0.543SS..Hα-helixtrans-65.4-37.3173.3-78.3-35.6000111.7D529 E530 H535 N536 V537D529-N533 VanDerWaalsContact O-CB 3.3Å; D529-N533 WeakPolarHBondContact O-CB 3.37Å; D529-N533 VanDerWaalsContact O-CG 3.24Å; D529-N533 PolarHBondContact O-N 3.25Å; D529-N533 PolarHBondContact O-ND2 3.15Å; E530-N533 PolarHBondContact O-N 3.29Å; N533-H535 VanDerWaalsContact C-N 3.32Å; N533-N536 PolarHBondContact O-N 3.41Å; N533-V537 WeakPolarHBondContact O-CB 3.44Å; N533-V537 WeakPolarHBondContact O-CG2 3.21Å; N533-V537 PolarHBondContact O-N 2.86Å
534I52.4Low53.2Low99 Ų99112.8 Ų112.851%0.50857%0.57SS.*Hα-helixtrans-66.2-36.2174-67.5162.3000111.1E530 L531 N532 K538E530-I534 WeakPolarHBondContact O-CD1 3.28Å; E530-I534 WeakPolarHBondContact O-CG1 3.37Å; E530-I534 PolarHBondContact O-N 3.38Å; L531-I534 PolarHBondContact O-N 2.92Å; N532-I534 VanDerWaalsContact C-N 3.34Å; I534-K538 PolarHBondContact O-N 3.22Å; I534-K538 VanDerWaalsContact O-N 3.15Å
535H49Very low51.2Low115 Ų115114.1 Ų114.153%0.53258%0.578SS.*Hα-helixtrans-68.4-46.3175.5-129.161.8000111.8L531 N532 N533 V537 K538 E539L531-H535 PolarHBondContact O-N 2.94Å; N532-H535 PolarHBondContact O-N 3.38Å; N533-H535 VanDerWaalsContact C-N 3.32Å; H535-V537 VanDerWaalsContact C-N 3.32Å; H535-V537 PolarHBondContact O-N 3.09Å; H535-K538 WeakPolarHBondContact O-CB 3.15Å; H535-K538 PolarHBondContact O-N 3.49Å; H535-K538 VanDerWaalsContact O-N 3.09Å; H535-E539 PolarHBondContact O-N 3.41Å
536N46.3Very low49.2Very low84 Ų84118 Ų11845%0.44960%0.604SS.*Hα-helixtrans-62.7-38.2175.1-76.70.3000111.6N532 N533 K538 E539 V540N532-N536 WeakPolarHBondContact O-CB 3.5Å; N532-N536 PolarHBondContact O-N 3.43Å; N533-N536 PolarHBondContact O-N 3.41Å; N536-K538 VanDerWaalsContact C-N 3.27Å; N536-K538 PolarHBondContact O-N 3.37Å; N536-E539 PolarHBondContact O-N 2.9Å; N536-V540 VanDerWaalsContact O-CB 3.29Å; N536-V540 WeakPolarHBondContact O-CB 3.12Å; N536-V540 WeakPolarHBondContact O-CG2 3.29Å; N536-V540 PolarHBondContact O-N 3.26Å
537V48.9Very low47.2Very low100 Ų100121.1 Ų121.161%0.60662%0.618SS**Hα-helixtrans-65.4-31.7175.6170.30000111.6N533 H535 E541N533-V537 WeakPolarHBondContact O-CB 3.44Å; N533-V537 WeakPolarHBondContact O-CG2 3.21Å; N533-V537 PolarHBondContact O-N 2.86Å; H535-V537 VanDerWaalsContact C-N 3.32Å; H535-V537 PolarHBondContact O-N 3.09Å; V537-E541 PolarHBondContact O-N 3.36Å
538K48.3Very low45.2Very low149 Ų149121.3 Ų121.365%0.64863%0.627SS**Hα-helixtrans-74-34172.8-76.6-175.4175.6-174.50113.1I534 H535 N536I534-K538 PolarHBondContact O-N 3.22Å; I534-K538 VanDerWaalsContact O-N 3.15Å; H535-K538 WeakPolarHBondContact O-CB 3.15Å; H535-K538 PolarHBondContact O-N 3.49Å; H535-K538 VanDerWaalsContact O-N 3.09Å; N536-K538 VanDerWaalsContact C-N 3.27Å; N536-K538 PolarHBondContact O-N 3.37Å
539E45Very low43.2Very low126 Ų126125.1 Ų125.159%0.58965%0.647SS**Hα-helixtrans-76.2-28.6173.8-74-175.4168.300112.4H535 N536 E541 E542H535-E539 PolarHBondContact O-N 3.41Å; N536-E539 PolarHBondContact O-N 2.9Å; E539-E541 VanDerWaalsContact C-N 3.3Å; E539-E541 PolarHBondContact O-N 2.79Å; E539-E542 CarbonylContact O-C 3.57Å; E539-E542 VanDerWaalsContact O-CA 3.28Å; E539-E542 WeakPolarHBondContact O-CA 3.37Å; E539-E542 PolarHBondContact O-N 3.04Å
540V39.1Very low41.3Very low63 Ų63127.8 Ų127.838%0.38266%0.662SS.*Hα-helixtrans-74.7-17.8178.3170.80000112.7N536 E542 G543 E545N536-V540 VanDerWaalsContact O-CB 3.29Å; N536-V540 WeakPolarHBondContact O-CB 3.12Å; N536-V540 WeakPolarHBondContact O-CG2 3.29Å; N536-V540 PolarHBondContact O-N 3.26Å; V540-E542 PolarHBondContact O-N 3.13Å; V540-G543 PolarHBondContact O-N 3.44Å; V540-E545 HydrophobicContact CG1-CG 4.31Å; V540-E545 HydrophobicContact CG2-CG 3.75Å
541E47.3Very low39.4Very low174 Ų174128.2 Ų128.281%0.81367%0.667SS**THydrogen-bonded Turntrans-65.3-14.6161.8-80.3-171.3160.200112.5V537 E539V537-E541 PolarHBondContact O-N 3.36Å; E539-E541 VanDerWaalsContact C-N 3.3Å; E539-E541 PolarHBondContact O-N 2.79Å
542E38.4Very low38.5Very low182 Ų182127.4 Ų127.485%0.8567%0.668SS**THydrogen-bonded Turntrans-118.447.4170.6-67.8-171.8166.800112.7E539 V540E539-E542 CarbonylContact O-C 3.57Å; E539-E542 VanDerWaalsContact O-CA 3.28Å; E539-E542 WeakPolarHBondContact O-CA 3.37Å; E539-E542 PolarHBondContact O-N 3.04Å; V540-E542 PolarHBondContact O-N 3.13Å
543G31.9Very low37.3Very low53 Ų53128.7 Ų128.755%0.54668%0.675SS.*SBendtrans97.6139.3151.600000118.7V540V540-G543 PolarHBondContact O-N 3.44Å
544E34.4Very low36.3Very low198 Ų198128.9 Ų128.993%0.92567%0.669SS**  trans54.7107.8166.1-72.5-170.7148.100120.3
545E31.5Very low35.6Very low148 Ų148127 Ų12769%0.69266%0.657SS**  trans-102.5113.5162.5-82.2-168.3153.300112.5V540V540-E545 HydrophobicContact CG1-CG 4.31Å; V540-E545 HydrophobicContact CG2-CG 3.75Å
546T28.6Very low34.7Very low142 Ų142123.8 Ų123.887%0.87166%0.655SS**  trans-90.9115158.644.10000110.8S548T546-S548 PolarHBondContact O-N 3.38Å
547K26.9Very low33.7Very low203 Ų203127.7 Ų127.788%0.88368%0.676SS**  trans-67.4122.9173.9-79.9174.2175.5168.70111.6
548S27.3Very low32.6Very low99 Ų99127.5 Ų127.569%0.69268%0.675SS**  trans-117.6138161.387.90000110.8T546 N550T546-S548 PolarHBondContact O-N 3.38Å; S548-N550 PolarHBondContact O-N 3.27Å; S548-N550 VanDerWaalsContact O-N 3.08Å
549D25.2Very low31.7Very low168 Ų168131.4 Ų131.490%0.89869%0.693SS**  trans-65.699.5-173.3-76.1-41.5000112.8I551D549-I551 PolarHBondContact O-N 3.16Å
550N24.8Very low31Very low152 Ų152131.7 Ų131.781%0.81370%0.698SS**  trans-74.5100.7176-86.8-23.5000112.1S548S548-N550 PolarHBondContact O-N 3.27Å; S548-N550 VanDerWaalsContact O-N 3.08Å
551I25Very low30.6Very low134 Ų134135.3 Ų135.369%0.68771%0.714SS**  trans-78.8117.7157.8-61.4172.7000106.8D549 N553D549-I551 PolarHBondContact O-N 3.16Å; I551-N553 PolarHBondContact O-N 3.45Å
552P28.6Very low29.7Very low93 Ų93133.1 Ų133.160%0.60471%0.709SS**  trans-72.4101.8-174.527.7-31.6000109.8Y554P552-Y554 PolarHBondContact O-N 3.18Å
553N30.2Very low29.2Very low121 Ų121130.2 Ų130.265%0.64770%0.701SS**  trans-71.4120.7171-84.8-20.8000109I551 F555I551-N553 PolarHBondContact O-N 3.45Å; N553-F555 PolarHBondContact O-N 3.47Å
554Y34.3Very low29Very low104 Ų104135.1 Ų135.141%0.40871%0.71SS.*SBendtrans-72121.7175.1-88.9-109.2000109Q385 A386 Y389 P552Q385-Y554 PolarHBondContact O-OH 2.72Å; A386-Y554 VanDerWaalsContact CA-OH 3.23Å; A386-Y554 WeakPolarHBondContact CA-OH 3.46Å; A386-Y554 PolarHBondContact N-OH 3.29Å; A386-Y554 VanDerWaalsContact N-OH 3.1Å; Y389-Y554 HydrophobicContact CG-CE1 4.26Å; P552-Y554 PolarHBondContact O-N 3.18Å
555F35.8Very low28.6Very low58 Ų58130.9 Ų130.925%0.25470%0.696SS.*SBendtrans63.190.5178.7-75.1-88.4000114.8Q521 N522 L525 N553Q521-F555 HydrophobicContact CB-CE1 4.16Å; N522-F555 WeakPolarHBondContact OD1-CZ 3.47Å; L525-F555 HydrophobicContact CD1-CD1 4.26Å; L525-F555 HydrophobicContact CD1-CE1 4.03Å; L525-F555 HydrophobicContact CD1-CZ 4.46Å; N553-F555 PolarHBondContact O-N 3.47Å
556G30.1Very low28.4Very low49 Ų49129.6 Ų129.651%0.50570%0.696SS.*  trans39.6111.2139.100000118.1T558G556-T558 PolarHBondContact O-N 3.3Å
557D25.1Very low28.4Very low166 Ų166128.7 Ų128.789%0.88868%0.683SS**  trans-60.291.7145.3-76-36.2000108.3
558T26.3Very low28.6Very low95 Ų95122.5 Ų122.558%0.58367%0.666SS**  trans-127.495.9151.725.40000107.3G556G556-T558 PolarHBondContact O-N 3.3Å
559F29.9Very low28.7Very low231 Ų231124.6 Ų124.6100%1.01366%0.664SS**  trans71.60163.3-57.6-82.3000118.7K458K458-F559 PolarHBondContact NZ-O 3.1Å

Retrieved 559 of 559 residues in 498.3 ms (Link to these results)

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