A0A093HJD3_STRCA Loading...

Protein RER1

Involved in the retrieval of endoplasmic reticulum membrane proteins from the early Golgi compartment.

AlphaFold DB , UniProt , Accession A0A093HJD3, Species STRCA (Struthio camelus australis), Gene n/a, Length 196 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
1M45.7Very low46.7Very low249 Ų249140.2 Ų140.2100%1.22784%0.835SS**  099.60-166.8109.2113.200108.4
2S41.2Very low47.5Very low116 Ų116144.1 Ų144.181%0.81184%0.838SS**  trans-177.292.8132-158.10000107.1
3E46.9Very low48.4Very low196 Ų196137.3 Ų137.392%0.91682%0.818SS**  trans-56150.4146.9-81.4156.79400108.9
4G49.5Very low49.2Very low71 Ų71141 Ų14173%0.73282%0.818SS**  trans167.887.3175.400000114.1
5D44.7Very low49.9Very low165 Ų165135.8 Ų135.888%0.88279%0.791SS**  trans77.684.9147.9-62.6-9.9000120.6
6S51.4Low51.5Low96 Ų96131.6 Ų131.667%0.67177%0.771SS**  trans-67.5155.2134.161.50000111.6
7I48.9Very low52.8Low170 Ų170133.4 Ų133.487%0.87277%0.773SS**  trans98.793.9159.4-51.3158.4000114.8
8G43.4Very low54.2Low73 Ų73130.8 Ų130.875%0.75376%0.759SS**  trans-158.934.816600000112.1S10G8-S10 PolarHBondContact O-N 3.45Å
9E44.3Very low55.6Low175 Ų175131.7 Ų131.782%0.81875%0.75SS**  trans-66.4100.8173-148.8-177.9162.400108V11E9-V11 PolarHBondContact O-N 2.97Å
10S49.3Very low56.7Low114 Ų114131.9 Ų131.980%0.79774%0.738SS**  trans-73.281.2176.144.90000109.3G8 H12G8-S10 PolarHBondContact O-N 3.45Å; S10-H12 PolarHBondContact O-N 3.03Å
11V48.7Very low57.9Low117 Ų117131.6 Ų131.671%0.70973%0.729SS**  trans-67.582.7167.8-177.70000107.9E9 G13E9-V11 PolarHBondContact O-N 2.97Å; V11-G13 PolarHBondContact O-N 2.84Å
12H55.9Low59.6Low187 Ų187126.1 Ų126.187%0.86670%0.699SS**  trans-74.480.6165.8-138.137.3000107.5S10 K14S10-H12 PolarHBondContact O-N 3.03Å; H12-K14 PolarHBondContact O-N 3.11Å; H12-K14 VanDerWaalsContact O-N 3.15Å
13G58.6Low61.5Low56 Ų56123.2 Ų123.258%0.57768%0.676SS**PPolyproline II helixtrans-54.4119.1177.800000110V11V11-G13 PolarHBondContact O-N 2.84Å
14K60.8Low63.1Low189 Ų189122.3 Ų122.382%0.82266%0.664SS**PPolyproline II helixtrans-46.4126.5175.2-66.2173.4-179.2172.20108.3H12 S16H12-K14 PolarHBondContact O-N 3.11Å; H12-K14 VanDerWaalsContact O-N 3.15Å; K14-S16 PolarHBondContact O-N 3.1Å; K14-S16 VanDerWaalsContact O-N 3.11Å
15P58.6Low64.7Low63 Ų63122.8 Ų122.841%0.40965%0.649SS.*PPolyproline II helixtrans-59.5125.1-177.317.1-26.9000109.1Y19 R20P15-Y19 HydrophobicContact CB-CD1 3.84Å; P15-Y19 HydrophobicContact CB-CE1 4.39Å; P15-R20 HydrophobicContact CB-CG 4.45Å; P15-R20 PolarHBondContact O-NE 3.39Å; P15-R20 VanDerWaalsContact O-NE 3.1Å
16S75.5Confident66.4Low68 Ų68116.6 Ų116.648%0.47663%0.625SS.*  trans-44.2139.4-177.5168.80000111.4K14 V18 Y19 R20K14-S16 PolarHBondContact O-N 3.1Å; K14-S16 VanDerWaalsContact O-N 3.11Å; S16-V18 PolarHBondContact O-N 3.35Å; S16-V18 VanDerWaalsContact O-N 3.1Å; S16-V18 PolarHBondContact OG-N 2.97Å; S16-Y19 WeakPolarHBondContact O-CA 3.35Å; S16-Y19 WeakPolarHBondContact O-CB 3.45Å; S16-Y19 PolarHBondContact O-N 2.88Å; S16-R20 PolarHBondContact O-N 3.1Å
17M74.1Confident67.9Low163 Ų163118.2 Ų118.280%0.80362%0.622SS**Hα-helixtrans-53.3-33.6177-172.4175.5-71.700111.7R20 F21M17-R20 PolarHBondContact O-N 3.2Å; M17-F21 WeakPolarHBondContact O-CB 3.28Å; M17-F21 PolarHBondContact O-N 2.63Å
18V77.8Confident69.4Low87 Ų87115.8 Ų115.853%0.52761%0.61SS.*Hα-helixtrans-65.3-47174-178.70000110.9S16 R20 F21 F22S16-V18 PolarHBondContact O-N 3.35Å; S16-V18 VanDerWaalsContact O-N 3.1Å; S16-V18 PolarHBondContact OG-N 2.97Å; V18-R20 VanDerWaalsContact C-N 3.33Å; V18-R20 PolarHBondContact O-N 3.41Å; V18-F21 PolarHBondContact O-N 2.91Å; V18-F22 HydrophobicContact CG1-CD2 3.56Å; V18-F22 HydrophobicContact CG1-CE2 3.31Å; V18-F22 WeakPolarHBondContact O-CD2 3.42Å; V18-F22 PolarHBondContact O-N 3.48Å
19Y80.5Confident71.3Confident147 Ų147117.9 Ų117.958%0.57660%0.596SS**Hα-helixtrans-59.5-43.8175.6179.2-93.3000111.7P15 S16 F21 F22 T23P15-Y19 HydrophobicContact CB-CD1 3.84Å; P15-Y19 HydrophobicContact CB-CE1 4.39Å; S16-Y19 WeakPolarHBondContact O-CA 3.35Å; S16-Y19 WeakPolarHBondContact O-CB 3.45Å; S16-Y19 PolarHBondContact O-N 2.88Å; Y19-F21 VanDerWaalsContact C-N 3.34Å; Y19-F21 PolarHBondContact O-N 3.29Å; Y19-F22 PolarHBondContact O-N 3.2Å; Y19-T23 HydrophobicContact CE1-CG2 4.15Å; Y19-T23 PolarHBondContact O-N 3.02Å; Y19-T23 PolarHBondContact O-OG1 2.96Å
20R78.4Confident73Confident136 Ų136114.3 Ų114.351%0.51358%0.579SS.*Hα-helixtrans-63.4-37.7176.6-65.5-178-175.9-149.9-8.1112.5P15 S16 M17 V18 T23 R24P15-R20 HydrophobicContact CB-CG 4.45Å; P15-R20 PolarHBondContact O-NE 3.39Å; P15-R20 VanDerWaalsContact O-NE 3.1Å; S16-R20 PolarHBondContact O-N 3.1Å; M17-R20 PolarHBondContact O-N 3.2Å; V18-R20 VanDerWaalsContact C-N 3.33Å; V18-R20 PolarHBondContact O-N 3.41Å; R20-T23 VanDerWaalsContact CA-OG1 3.26Å; R20-T23 WeakPolarHBondContact CA-OG1 3.32Å; R20-T23 PolarHBondContact O-OG1 3.35Å; R20-R24 WeakPolarHBondContact O-CB 3.22Å; R20-R24 WeakPolarHBondContact O-CG 3.33Å; R20-R24 PolarHBondContact O-N 2.88Å
21F81.7Confident74.4Confident125 Ų125112.5 Ų112.555%0.54857%0.566SS.*Hα-helixtrans-68.2-46.1175.7-175.6-102.3000111.7M17 V18 Y19 T23 R24 L25M17-F21 WeakPolarHBondContact O-CB 3.28Å; M17-F21 PolarHBondContact O-N 2.63Å; V18-F21 PolarHBondContact O-N 2.91Å; Y19-F21 VanDerWaalsContact C-N 3.34Å; Y19-F21 PolarHBondContact O-N 3.29Å; F21-T23 VanDerWaalsContact C-N 3.33Å; F21-T23 PolarHBondContact O-N 2.9Å; F21-R24 PolarHBondContact O-N 2.88Å; F21-L25 HydrophobicContact CD1-CD1 3.73Å; F21-L25 HydrophobicContact CD1-CG 4.29Å; F21-L25 HydrophobicContact CE1-CD1 3.24Å; F21-L25 HydrophobicContact CE1-CG 3.97Å; F21-L25 HydrophobicContact CZ-CD1 3.77Å; F21-L25 HydrophobicContact CZ-CD2 4.39Å; F21-L25 HydrophobicContact CZ-CG 4.12Å; F21-L25 PolarHBondContact O-N 3.24Å
22F82.1Confident75.8Confident135 Ų135115.1 Ų115.159%0.59256%0.564SS**Hα-helixtrans-62.3-38174.7-79.4-66.9000112.6V18 Y19 G26V18-F22 HydrophobicContact CG1-CD2 3.56Å; V18-F22 HydrophobicContact CG1-CE2 3.31Å; V18-F22 WeakPolarHBondContact O-CD2 3.42Å; V18-F22 PolarHBondContact O-N 3.48Å; Y19-F22 PolarHBondContact O-N 3.2Å; F22-G26 PolarHBondContact O-N 3.44Å
23T80.5Confident76.9Confident54 Ų54106.7 Ų106.733%0.33153%0.525SS..Hα-helixtrans-66.3-41.8174.4200000111.7Y19 R20 F21 G26 Q27Y19-T23 HydrophobicContact CE1-CG2 4.15Å; Y19-T23 PolarHBondContact O-N 3.02Å; Y19-T23 PolarHBondContact O-OG1 2.96Å; R20-T23 VanDerWaalsContact CA-OG1 3.26Å; R20-T23 WeakPolarHBondContact CA-OG1 3.32Å; R20-T23 PolarHBondContact O-OG1 3.35Å; F21-T23 VanDerWaalsContact C-N 3.33Å; F21-T23 PolarHBondContact O-N 2.9Å; T23-G26 PolarHBondContact O-N 3.47Å; T23-Q27 WeakPolarHBondContact O-CB 3.26Å; T23-Q27 VanDerWaalsContact O-CG 3.23Å; T23-Q27 WeakPolarHBondContact O-CG 3.49Å; T23-Q27 PolarHBondContact O-N 3.33Å
24R81.1Confident78Confident178 Ų178108.2 Ų108.267%0.67252%0.52SS*.Hα-helixtrans-64.3-43.6175.4-76.8-178.5177.1-172.6-0.9112.7R20 F21 G26 Q27 L28R20-R24 WeakPolarHBondContact O-CB 3.22Å; R20-R24 WeakPolarHBondContact O-CG 3.33Å; R20-R24 PolarHBondContact O-N 2.88Å; F21-R24 PolarHBondContact O-N 2.88Å; R24-G26 VanDerWaalsContact C-N 3.34Å; R24-Q27 PolarHBondContact O-N 2.88Å; R24-L28 WeakPolarHBondContact O-CG 3.34Å; R24-L28 PolarHBondContact O-N 2.88Å
25L82.3Confident78.8Confident80 Ų80106.9 Ų106.942%0.41951%0.514SS..Hα-helixtrans-62.1-42.6174.3-76.7-179.9000111.7F21 Q27 L28 Y29F21-L25 HydrophobicContact CD1-CD1 3.73Å; F21-L25 HydrophobicContact CD1-CG 4.29Å; F21-L25 HydrophobicContact CE1-CD1 3.24Å; F21-L25 HydrophobicContact CE1-CG 3.97Å; F21-L25 HydrophobicContact CZ-CD1 3.77Å; F21-L25 HydrophobicContact CZ-CD2 4.39Å; F21-L25 HydrophobicContact CZ-CG 4.12Å; F21-L25 PolarHBondContact O-N 3.24Å; L25-Q27 VanDerWaalsContact C-N 3.33Å; L25-Q27 PolarHBondContact O-N 3.43Å; L25-L28 PolarHBondContact O-N 2.88Å; L25-Y29 VanDerWaalsContact O-CB 3.26Å; L25-Y29 WeakPolarHBondContact O-CB 3.23Å; L25-Y29 PolarHBondContact O-N 2.89Å
26G79.9Confident79.7Confident36 Ų36104.9 Ų104.937%0.37150%0.502SS..Hα-helixtrans-60.1-42.5174.800000112.3F22 T23 R24 Y29 Q30F22-G26 PolarHBondContact O-N 3.44Å; T23-G26 PolarHBondContact O-N 3.47Å; R24-G26 VanDerWaalsContact C-N 3.34Å; G26-Y29 PolarHBondContact O-N 2.94Å; G26-Q30 VanDerWaalsContact O-CB 3.28Å; G26-Q30 WeakPolarHBondContact O-CB 3.41Å; G26-Q30 PolarHBondContact O-N 3.05Å
27Q82.9Confident79.8Confident129 Ų129104.8 Ų104.860%0.60350%0.498SS*.Hα-helixtrans-65.2-42.9176.9-74.4169.1-14.900112.6T23 R24 L25 Q30 S31T23-Q27 WeakPolarHBondContact O-CB 3.26Å; T23-Q27 VanDerWaalsContact O-CG 3.23Å; T23-Q27 WeakPolarHBondContact O-CG 3.49Å; T23-Q27 PolarHBondContact O-N 3.33Å; R24-Q27 PolarHBondContact O-N 2.88Å; L25-Q27 VanDerWaalsContact C-N 3.33Å; L25-Q27 PolarHBondContact O-N 3.43Å; Q27-Q30 PolarHBondContact O-N 3.35Å; Q27-S31 WeakPolarHBondContact O-CB 3.26Å; Q27-S31 PolarHBondContact O-N 2.96Å
28L82Confident80.3Confident119 Ų119101.5 Ų101.562%0.62349%0.489SS*.Hα-helixtrans-65.4-43.6176.4-72.4170.5000111.7R24 L25 Q30 S31 W32R24-L28 WeakPolarHBondContact O-CG 3.34Å; R24-L28 PolarHBondContact O-N 2.88Å; L25-L28 PolarHBondContact O-N 2.88Å; L28-Q30 VanDerWaalsContact C-N 3.35Å; L28-S31 PolarHBondContact O-N 3.2Å; L28-W32 WeakPolarHBondContact O-CB 3.13Å; L28-W32 PolarHBondContact O-N 3.47Å
29Y81.6Confident80.6Confident118 Ų118104.2 Ų104.246%0.46349%0.491SS..Hα-helixtrans-61.6-44.5176.1-178.8-111.9000111.5L25 G26 W32 L33 H123L25-Y29 VanDerWaalsContact O-CB 3.26Å; L25-Y29 WeakPolarHBondContact O-CB 3.23Å; L25-Y29 PolarHBondContact O-N 2.89Å; G26-Y29 PolarHBondContact O-N 2.94Å; Y29-W32 PolarHBondContact O-N 3.32Å; Y29-L33 HydrophobicContact CD1-CD1 3.76Å; Y29-L33 HydrophobicContact CD1-CG 4.49Å; Y29-L33 HydrophobicContact CE1-CD1 3.45Å; Y29-L33 VanDerWaalsContact CE1-CD1 3.45Å; Y29-L33 HydrophobicContact CE1-CG 4.29Å; Y29-L33 HydrophobicContact CG-CD1 4.45Å; Y29-L33 WeakPolarHBondContact O-CB 3.47Å; Y29-L33 VanDerWaalsContact O-CG 3.31Å; Y29-L33 WeakPolarHBondContact O-CG 3.38Å; Y29-L33 PolarHBondContact O-N 3.34Å; Y29-H123 AromaticContact CZ-NE2 3.69Å; Y29-H123 PolarHBondContact OH-CE1 3.37Å; Y29-H123 PolarHBondContact OH-NE2 3.44Å
30Q81.2Confident80.8Confident99 Ų9999.7 Ų99.746%0.46348%0.479SS..Hα-helixtrans-62.9-43.7176-165.464.837.500111.5G26 Q27 L28 W32 L33 D34G26-Q30 VanDerWaalsContact O-CB 3.28Å; G26-Q30 WeakPolarHBondContact O-CB 3.41Å; G26-Q30 PolarHBondContact O-N 3.05Å; Q27-Q30 PolarHBondContact O-N 3.35Å; L28-Q30 VanDerWaalsContact C-N 3.35Å; Q30-W32 VanDerWaalsContact C-N 3.32Å; Q30-W32 PolarHBondContact O-N 3.4Å; Q30-L33 WeakPolarHBondContact O-CB 3.35Å; Q30-L33 PolarHBondContact O-N 2.99Å; Q30-D34 PolarHBondContact NE2-OD1 2.94Å; Q30-D34 PolarHBondContact O-N 3.22Å
31S79.4Confident81.1Confident76 Ų7696.6 Ų96.653%0.53148%0.482SS..Hα-helixtrans-60.6-40.5176.2-178.70000112.5Q27 L28 D34 K35Q27-S31 WeakPolarHBondContact O-CB 3.26Å; Q27-S31 PolarHBondContact O-N 2.96Å; L28-S31 PolarHBondContact O-N 3.2Å; S31-D34 PolarHBondContact O-N 3.39Å; S31-K35 PolarHBondContact O-N 2.81Å
32W77.3Confident81.5Confident172 Ų17294.6 Ų94.665%0.65248%0.48SS*.Hα-helixtrans-69-37.9176.9-163.182.4000112.5L28 Y29 Q30 K35 S36L28-W32 WeakPolarHBondContact O-CB 3.13Å; L28-W32 PolarHBondContact O-N 3.47Å; Y29-W32 PolarHBondContact O-N 3.32Å; Q30-W32 VanDerWaalsContact C-N 3.32Å; Q30-W32 PolarHBondContact O-N 3.4Å; W32-K35 PolarHBondContact O-N 3.45Å; W32-S36 PolarHBondContact O-N 2.86Å; W32-S36 PolarHBondContact O-OG 3.25Å
33L79.3Confident81.9Confident11 Ų1188.9 Ų88.96%0.05846%0.455CS..Hα-helixtrans-61.4-46.8171.6-75.2174.4000111.3Y29 Q30 K35 S36 T37 F119 H123Y29-L33 HydrophobicContact CD1-CD1 3.76Å; Y29-L33 HydrophobicContact CD1-CG 4.49Å; Y29-L33 HydrophobicContact CE1-CD1 3.45Å; Y29-L33 VanDerWaalsContact CE1-CD1 3.45Å; Y29-L33 HydrophobicContact CE1-CG 4.29Å; Y29-L33 HydrophobicContact CG-CD1 4.45Å; Y29-L33 WeakPolarHBondContact O-CB 3.47Å; Y29-L33 VanDerWaalsContact O-CG 3.31Å; Y29-L33 WeakPolarHBondContact O-CG 3.38Å; Y29-L33 PolarHBondContact O-N 3.34Å; Q30-L33 WeakPolarHBondContact O-CB 3.35Å; Q30-L33 PolarHBondContact O-N 2.99Å; L33-K35 VanDerWaalsContact C-N 3.28Å; L33-K35 PolarHBondContact O-N 2.9Å; L33-S36 WeakPolarHBondContact O-CB 3.48Å; L33-S36 PolarHBondContact O-N 3.34Å; L33-T37 PolarHBondContact O-N 3.37Å; L33-T37 PolarHBondContact O-OG1 3.32Å; L33-F119 HydrophobicContact CB-CE1 4.29Å; L33-F119 HydrophobicContact CB-CZ 3.95Å; L33-F119 HydrophobicContact CD2-CE1 4.35Å; L33-F119 HydrophobicContact CD2-CZ 3.99Å; L33-F119 WeakPolarHBondContact O-CZ 3.28Å; L33-H123 VanDerWaalsContact CD2-CD2 3.48Å; L33-H123 WeakPolarHBondContact CD2-CD2 3.41Å
34D80.5Confident82.4Confident88 Ų8890 Ų9047%0.47145%0.453SS..Hα-helixtrans-61.8-38.5-179.8-65.1-19.2000111.1Q30 S31 S36 T37Q30-D34 PolarHBondContact NE2-OD1 2.94Å; Q30-D34 PolarHBondContact O-N 3.22Å; S31-D34 PolarHBondContact O-N 3.39Å; D34-S36 VanDerWaalsContact C-N 3.26Å; D34-S36 PolarHBondContact O-N 2.98Å; D34-T37 WeakPolarHBondContact CA-OG1 3.31Å; D34-T37 WeakPolarHBondContact O-CB 3.49Å; D34-T37 PolarHBondContact O-N 3.49Å; D34-T37 PolarHBondContact O-OG1 3.35Å
35K78.9Confident82.9Confident160 Ų16087.1 Ų87.170%0.69645%0.449SS*.Hα-helixtrans-65.8-25.3174.5-166.7170.4-176.1175.20113.7S31 W32 L33 P38S31-K35 PolarHBondContact O-N 2.81Å; W32-K35 PolarHBondContact O-N 3.45Å; L33-K35 VanDerWaalsContact C-N 3.28Å; L33-K35 PolarHBondContact O-N 2.9Å; K35-P38 WeakPolarHBondContact O-CD 3.3Å
36S77.1Confident83.5Confident21 Ų2186.7 Ų86.715%0.14745%0.45CS..Hα-helixtrans-86.4-10.5179.2-58.40000113.3W32 L33 D34 P38 Y39 R43W32-S36 PolarHBondContact O-N 2.86Å; W32-S36 PolarHBondContact O-OG 3.25Å; L33-S36 WeakPolarHBondContact O-CB 3.48Å; L33-S36 PolarHBondContact O-N 3.34Å; D34-S36 VanDerWaalsContact C-N 3.26Å; D34-S36 PolarHBondContact O-N 2.98Å; S36-P38 VanDerWaalsContact C-CD 3.46Å; S36-Y39 PolarHBondContact O-N 3.16Å; S36-R43 VanDerWaalsContact O-CD 3.3Å; S36-R43 WeakPolarHBondContact O-CD 3.41Å; S36-R43 PolarHBondContact O-NE 2.65Å
37T77.6Confident84.1Confident66 Ų6685.4 Ų85.441%0.40544%0.435SS..THydrogen-bonded Turntrans-50.8-48.3-179.9-520000114.7L33 D34 Y39 R43L33-T37 PolarHBondContact O-N 3.37Å; L33-T37 PolarHBondContact O-OG1 3.32Å; D34-T37 WeakPolarHBondContact CA-OG1 3.31Å; D34-T37 WeakPolarHBondContact O-CB 3.49Å; D34-T37 PolarHBondContact O-N 3.49Å; D34-T37 PolarHBondContact O-OG1 3.35Å; T37-Y39 VanDerWaalsContact C-N 3.3Å; T37-Y39 PolarHBondContact O-N 3.12Å; T37-R43 PolarHBondContact O-NH2 3.42Å
38P84.3Confident84.7Confident94 Ų9484.7 Ų84.761%0.6144%0.435SS*.THydrogen-bonded Turntrans-72.8-21.2-173.328.3-34.3000113.6K35 S36 T40K35-P38 WeakPolarHBondContact O-CD 3.3Å; S36-P38 VanDerWaalsContact C-CD 3.46Å; P38-T40 VanDerWaalsContact C-N 3.29Å; P38-T40 PolarHBondContact O-N 3.16Å
39Y84.7Confident85.4Confident144 Ų14480.6 Ų80.657%0.56542%0.421SS*.  trans-89.155.9-171.9-57.9-71.4000112.9S36 T37 A41 V42 R43S36-Y39 PolarHBondContact O-N 3.16Å; T37-Y39 VanDerWaalsContact C-N 3.3Å; T37-Y39 PolarHBondContact O-N 3.12Å; Y39-A41 PolarHBondContact O-N 3.45Å; Y39-V42 PolarHBondContact O-N 3.42Å; Y39-R43 WeakPolarHBondContact O-CB 3.43Å; Y39-R43 VanDerWaalsContact O-CG 3.28Å; Y39-R43 WeakPolarHBondContact O-CG 3.28Å; Y39-R43 PolarHBondContact O-N 3.05Å
40T84.1Confident86Confident52 Ų5277.3 Ų77.332%0.31941%0.411SS..Hα-helixtrans-56-47-176.5-58.60000113.1P38 V42 R43 W44 E118P38-T40 VanDerWaalsContact C-N 3.29Å; P38-T40 PolarHBondContact O-N 3.16Å; T40-V42 PolarHBondContact O-N 3.28Å; T40-R43 WeakPolarHBondContact O-CB 3.29Å; T40-R43 PolarHBondContact O-N 2.93Å; T40-R43 PolarHBondContact OG1-NH2 3.15Å; T40-W44 PolarHBondContact O-N 3.37Å; T40-W44 VanDerWaalsContact O-N 3.13Å; T40-E118 WeakPolarHBondContact CG2-OE1 3.36Å
41A85.7Confident86.7Confident71 Ų7174.2 Ų74.259%0.58740%0.401SS*.Hα-helixtrans-61.3-48-179.900000112.2Y39 R43 W44 I45Y39-A41 PolarHBondContact O-N 3.45Å; A41-R43 VanDerWaalsContact C-N 3.33Å; A41-R43 PolarHBondContact O-N 3.42Å; A41-W44 PolarHBondContact O-N 3.21Å; A41-I45 VanDerWaalsContact O-CG1 3.25Å; A41-I45 WeakPolarHBondContact O-CG1 3.39Å; A41-I45 PolarHBondContact O-N 3.09Å
42V88.5Confident87.5Confident83 Ų8377.3 Ų77.350%0.50341%0.405SS..Hα-helixtrans-61-44.2179.5-179.20000110.8Y39 T40 W44 I45 V46Y39-V42 PolarHBondContact O-N 3.42Å; T40-V42 PolarHBondContact O-N 3.28Å; V42-W44 VanDerWaalsContact C-N 3.34Å; V42-W44 PolarHBondContact O-N 2.87Å; V42-I45 PolarHBondContact O-N 3.32Å; V42-V46 HydrophobicContact CG1-CG2 4.35Å; V42-V46 VanDerWaalsContact O-CG2 3.31Å; V42-V46 WeakPolarHBondContact O-CG2 3.41Å; V42-V46 PolarHBondContact O-N 3.45Å
43R90.4Very high88.4Confident16 Ų1673.7 Ų73.76%0.0640%0.397CS..Hα-helixtrans-53.4-51176.4-80-167.4-63.1122.30.3111.4S36 T37 Y39 T40 A41 V46 T47 W122S36-R43 VanDerWaalsContact O-CD 3.3Å; S36-R43 WeakPolarHBondContact O-CD 3.41Å; S36-R43 PolarHBondContact O-NE 2.65Å; T37-R43 PolarHBondContact O-NH2 3.42Å; Y39-R43 WeakPolarHBondContact O-CB 3.43Å; Y39-R43 VanDerWaalsContact O-CG 3.28Å; Y39-R43 WeakPolarHBondContact O-CG 3.28Å; Y39-R43 PolarHBondContact O-N 3.05Å; T40-R43 WeakPolarHBondContact O-CB 3.29Å; T40-R43 PolarHBondContact O-N 2.93Å; T40-R43 PolarHBondContact OG1-NH2 3.15Å; A41-R43 VanDerWaalsContact C-N 3.33Å; A41-R43 PolarHBondContact O-N 3.42Å; R43-V46 PolarHBondContact O-N 2.92Å; R43-T47 PolarHBondContact O-N 2.92Å; R43-T47 VanDerWaalsContact O-N 3.07Å; R43-T47 PolarHBondContact O-OG1 3.07Å; R43-T47 VanDerWaalsContact O-OG1 3.1Å; R43-W122 HydrophobicContact CB-CD2 3.97Å; R43-W122 VanDerWaalsContact CB-CE2 3.43Å; R43-W122 HydrophobicContact CB-CG 4.28Å; R43-W122 HydrophobicContact CB-CH2 4.44Å; R43-W122 HydrophobicContact CB-CZ2 3.71Å; R43-W122 HydrophobicContact CG-CD2 4.17Å; R43-W122 HydrophobicContact CG-CE3 4.41Å; R43-W122 HydrophobicContact CG-CH2 3.8Å; R43-W122 HydrophobicContact CG-CZ2 3.52Å; R43-W122 HydrophobicContact CG-CZ3 4.23Å; R43-W122 PolarHBondContact O-NE1 3.27Å
44W91Very high89.2Confident77 Ų7773.2 Ų73.229%0.29240%0.395SS..Hα-helixtrans-69.6-38.7-180-74.5110000113.3T40 A41 V42 V46 T47 L48 E118 F121 W122T40-W44 PolarHBondContact O-N 3.37Å; T40-W44 VanDerWaalsContact O-N 3.13Å; A41-W44 PolarHBondContact O-N 3.21Å; V42-W44 VanDerWaalsContact C-N 3.34Å; V42-W44 PolarHBondContact O-N 2.87Å; W44-V46 VanDerWaalsContact C-N 3.32Å; W44-V46 PolarHBondContact O-N 3.29Å; W44-T47 PolarHBondContact O-N 3.27Å; W44-L48 WeakPolarHBondContact O-CB 3.46Å; W44-L48 VanDerWaalsContact O-CG 3.27Å; W44-L48 WeakPolarHBondContact O-CG 3.42Å; W44-L48 PolarHBondContact O-N 3.44Å; W44-E118 HydrophobicContact CZ2-CG 4.15Å; W44-E118 PolarHBondContact NE1-OE1 3.29Å; W44-F121 AromaticContact CH2-CD1 3.41Å; W44-F121 HydrophobicContact CH2-CD1 3.41Å; W44-F121 VanDerWaalsContact CH2-CD1 3.41Å; W44-F121 AromaticContact CH2-CE1 3.31Å; W44-F121 HydrophobicContact CH2-CE1 3.31Å; W44-F121 AromaticContact CZ2-CD1 4Å; W44-F121 HydrophobicContact CZ2-CD1 4Å; W44-F121 HydrophobicContact CZ2-CE1 4.31Å; W44-F121 HydrophobicContact CZ3-CD1 4.31Å; W44-F121 AromaticContact CZ3-CE1 3.9Å; W44-F121 HydrophobicContact CZ3-CE1 3.9Å; W44-W122 HydrophobicContact CZ2-CB 4.42Å
45I93.3Very high89.9Confident117 Ų11773.5 Ų73.560%0.640%0.395SS*.Hα-helixtrans-58.5-46.1174.5-70165000110.4A41 V42 L48 G49A41-I45 VanDerWaalsContact O-CG1 3.25Å; A41-I45 WeakPolarHBondContact O-CG1 3.39Å; A41-I45 PolarHBondContact O-N 3.09Å; V42-I45 PolarHBondContact O-N 3.32Å; I45-L48 PolarHBondContact O-N 3.45Å; I45-G49 PolarHBondContact O-N 3.4Å
46V93.5Very high90.7Very high72 Ų7269.3 Ų69.344%0.43638%0.379SS..Hα-helixtrans-61.8-45.9177.5170.80000111.1V42 R43 W44 L48 G49 L50V42-V46 HydrophobicContact CG1-CG2 4.35Å; V42-V46 VanDerWaalsContact O-CG2 3.31Å; V42-V46 WeakPolarHBondContact O-CG2 3.41Å; V42-V46 PolarHBondContact O-N 3.45Å; R43-V46 PolarHBondContact O-N 2.92Å; W44-V46 VanDerWaalsContact C-N 3.32Å; W44-V46 PolarHBondContact O-N 3.29Å; V46-L48 PolarHBondContact O-N 3.49Å; V46-G49 PolarHBondContact O-N 3.27Å; V46-L50 HydrophobicContact CG1-CD1 4.02Å; V46-L50 HydrophobicContact CG1-CG 4.45Å; V46-L50 WeakPolarHBondContact O-CB 3.29Å; V46-L50 WeakPolarHBondContact O-CG 3.31Å; V46-L50 PolarHBondContact O-N 3.47Å
47T93.3Very high91.5Very high8 Ų871.5 Ų71.55%0.04938%0.384CS..Hα-helixtrans-64-41.8178.9-59.30000112.4R43 W44 L50 S51 W122 T126 I129R43-T47 PolarHBondContact O-N 2.92Å; R43-T47 VanDerWaalsContact O-N 3.07Å; R43-T47 PolarHBondContact O-OG1 3.07Å; R43-T47 VanDerWaalsContact O-OG1 3.1Å; W44-T47 PolarHBondContact O-N 3.27Å; T47-L50 PolarHBondContact O-N 3.34Å; T47-S51 WeakPolarHBondContact O-CB 3.44Å; T47-S51 PolarHBondContact O-N 3.33Å; T47-W122 VanDerWaalsContact OG1-CD1 3.28Å; T47-W122 PolarHBondContact OG1-NE1 2.89Å; T47-T126 PolarHBondContact OG1-OG1 3.47Å; T47-I129 HydrophobicContact CG2-CD1 3.79Å
48L94.4Very high92.3Very high115 Ų11569 Ų6960%0.60237%0.369SS*.Hα-helixtrans-65.8-41.8176.2-70.6174.4000111.3W44 I45 V46 S51 F52W44-L48 WeakPolarHBondContact O-CB 3.46Å; W44-L48 VanDerWaalsContact O-CG 3.27Å; W44-L48 WeakPolarHBondContact O-CG 3.42Å; W44-L48 PolarHBondContact O-N 3.44Å; I45-L48 PolarHBondContact O-N 3.45Å; V46-L48 PolarHBondContact O-N 3.49Å; L48-S51 WeakPolarHBondContact O-CB 3.42Å; L48-S51 PolarHBondContact O-N 3.49Å; L48-F52 WeakPolarHBondContact O-CB 3.25Å; L48-F52 PolarHBondContact O-N 3.44Å
49G96.8Very high92.7Very high33 Ų3372.8 Ų72.834%0.3437%0.372SS..Hα-helixtrans-60.3-47.217400000112.4I45 V46 S51 F52 I53I45-G49 PolarHBondContact O-N 3.4Å; V46-G49 PolarHBondContact O-N 3.27Å; G49-S51 PolarHBondContact O-N 2.97Å; G49-F52 PolarHBondContact O-N 2.87Å; G49-I53 VanDerWaalsContact O-CG1 3.28Å; G49-I53 WeakPolarHBondContact O-CG1 3.46Å; G49-I53 PolarHBondContact O-N 2.9Å
50L95.8Very high93.1Very high48 Ų4871.9 Ų71.925%0.25138%0.376SS..Hα-helixtrans-61.7-42.2175.5-74.4172.2000112.3V46 T47 F52 I53 Y54 T126 I129 L130V46-L50 HydrophobicContact CG1-CD1 4.02Å; V46-L50 HydrophobicContact CG1-CG 4.45Å; V46-L50 WeakPolarHBondContact O-CB 3.29Å; V46-L50 WeakPolarHBondContact O-CG 3.31Å; V46-L50 PolarHBondContact O-N 3.47Å; T47-L50 PolarHBondContact O-N 3.34Å; L50-F52 VanDerWaalsContact C-N 3.34Å; L50-I53 PolarHBondContact O-N 2.88Å; L50-Y54 WeakPolarHBondContact O-CB 3.42Å; L50-Y54 PolarHBondContact O-N 3.46Å; L50-T126 HydrophobicContact CD1-CG2 4Å; L50-I129 HydrophobicContact CB-CG2 4.1Å; L50-L130 HydrophobicContact CD1-CD2 4.25Å; L50-L130 HydrophobicContact CD2-CD2 4.48Å
51S95.2Very high93.4Very high35 Ų3573.4 Ų73.425%0.24538%0.382CS..Hα-helixtrans-60.7-44.1175.1-1730000111.3T47 L48 G49 Y54 M55T47-S51 WeakPolarHBondContact O-CB 3.44Å; T47-S51 PolarHBondContact O-N 3.33Å; L48-S51 WeakPolarHBondContact O-CB 3.42Å; L48-S51 PolarHBondContact O-N 3.49Å; G49-S51 PolarHBondContact O-N 2.97Å; S51-Y54 WeakPolarHBondContact O-CB 3.36Å; S51-Y54 PolarHBondContact O-N 2.95Å; S51-M55 WeakPolarHBondContact O-CG 3.46Å; S51-M55 PolarHBondContact O-N 3.45Å
52F96.3Very high93.6Very high140 Ų14075 Ų7561%0.61438%0.377SS*.Hα-helixtrans-64.2-44.4178.6-173.9-113.2000112.2L48 G49 L50 Y54 M55 I56L48-F52 WeakPolarHBondContact O-CB 3.25Å; L48-F52 PolarHBondContact O-N 3.44Å; G49-F52 PolarHBondContact O-N 2.87Å; L50-F52 VanDerWaalsContact C-N 3.34Å; F52-Y54 VanDerWaalsContact C-N 3.3Å; F52-Y54 PolarHBondContact O-N 3.21Å; F52-M55 PolarHBondContact O-N 2.99Å; F52-I56 HydrophobicContact CD1-CD1 3.62Å; F52-I56 HydrophobicContact CE1-CD1 3.26Å; F52-I56 HydrophobicContact CE1-CG1 4.24Å; F52-I56 HydrophobicContact CE2-CD1 4.34Å; F52-I56 HydrophobicContact CG-CD1 4.32Å; F52-I56 HydrophobicContact CZ-CD1 3.66Å; F52-I56 HydrophobicContact CZ-CG1 4.24Å; F52-I56 WeakPolarHBondContact O-CG1 3.36Å; F52-I56 PolarHBondContact O-N 2.86Å
53I96.4Very high93.6Very high97 Ų9771.1 Ų71.150%0.49735%0.354SS..Hα-helixtrans-59.8-42.7174.8-66.8164000110.8G49 L50 I56 R57 M133G49-I53 VanDerWaalsContact O-CG1 3.28Å; G49-I53 WeakPolarHBondContact O-CG1 3.46Å; G49-I53 PolarHBondContact O-N 2.9Å; L50-I53 PolarHBondContact O-N 2.88Å; I53-I56 PolarHBondContact O-N 3.24Å; I53-R57 WeakPolarHBondContact O-CB 3.47Å; I53-R57 PolarHBondContact O-N 2.87Å; I53-M133 HydrophobicContact CG2-CE 3.98Å
54Y96.1Very high93.7Very high1 Ų171.6 Ų71.60%0.00436%0.356CS..Hα-helixtrans-59.8-47.1175175.9-92.4000112L50 S51 F52 I56 R57 V58 T68 L71 A132 M133 T136L50-Y54 WeakPolarHBondContact O-CB 3.42Å; L50-Y54 PolarHBondContact O-N 3.46Å; S51-Y54 WeakPolarHBondContact O-CB 3.36Å; S51-Y54 PolarHBondContact O-N 2.95Å; F52-Y54 VanDerWaalsContact C-N 3.3Å; F52-Y54 PolarHBondContact O-N 3.21Å; Y54-I56 PolarHBondContact O-N 2.93Å; Y54-R57 WeakPolarHBondContact O-CB 3.42Å; Y54-R57 PolarHBondContact O-N 2.99Å; Y54-V58 HydrophobicContact CD1-CG2 4.32Å; Y54-V58 HydrophobicContact CE1-CG2 3.78Å; Y54-V58 HydrophobicContact CE2-CG2 4.12Å; Y54-V58 WeakPolarHBondContact O-CG2 3.38Å; Y54-V58 PolarHBondContact O-N 2.96Å; Y54-T68 HydrophobicContact CE1-CG2 4.18Å; Y54-T68 WeakPolarHBondContact OH-CA 3.49Å; Y54-T68 PolarHBondContact OH-N 3.42Å; Y54-T68 PolarHBondContact OH-OG1 3.27Å; Y54-L71 HydrophobicContact CD1-CD2 4.08Å; Y54-L71 HydrophobicContact CE1-CD2 3.74Å; Y54-A132 HydrophobicContact CD2-CB 4.44Å; Y54-A132 HydrophobicContact CE2-CB 3.75Å; Y54-M133 HydrophobicContact CD2-CB 4.4Å; Y54-M133 HydrophobicContact CD2-CE 4.18Å; Y54-M133 HydrophobicContact CD2-SD 4.28Å; Y54-M133 HydrophobicContact CG-CE 4.47Å; Y54-T136 HydrophobicContact CE2-CG2 3.74Å
55M94Very high93.8Very high94 Ų9469.9 Ų69.946%0.46335%0.35SS..Hα-helixtrans-63.3-42.8179.3-69.1-62.3172.600112S51 F52 R57 V58 Y59S51-M55 WeakPolarHBondContact O-CG 3.46Å; S51-M55 PolarHBondContact O-N 3.45Å; F52-M55 PolarHBondContact O-N 2.99Å; M55-R57 VanDerWaalsContact C-N 3.32Å; M55-R57 PolarHBondContact O-N 3.47Å; M55-V58 PolarHBondContact O-N 3.36Å; M55-Y59 VanDerWaalsContact O-CB 3.3Å; M55-Y59 WeakPolarHBondContact O-CB 3.47Å; M55-Y59 PolarHBondContact O-N 3.26Å
56I95.9Very high93.8Very high71 Ų7167.7 Ų67.736%0.36434%0.338SS..Hα-helixtrans-57.8-47.4173.8-72.1168.2000110.2F52 I53 Y54 V58 Y59 L60F52-I56 HydrophobicContact CD1-CD1 3.62Å; F52-I56 HydrophobicContact CE1-CD1 3.26Å; F52-I56 HydrophobicContact CE1-CG1 4.24Å; F52-I56 HydrophobicContact CE2-CD1 4.34Å; F52-I56 HydrophobicContact CG-CD1 4.32Å; F52-I56 HydrophobicContact CZ-CD1 3.66Å; F52-I56 HydrophobicContact CZ-CG1 4.24Å; F52-I56 WeakPolarHBondContact O-CG1 3.36Å; F52-I56 PolarHBondContact O-N 2.86Å; I53-I56 PolarHBondContact O-N 3.24Å; Y54-I56 PolarHBondContact O-N 2.93Å; I56-V58 PolarHBondContact O-N 3.46Å; I56-Y59 PolarHBondContact O-N 2.91Å; I56-L60 HydrophobicContact CG2-CD1 3.7Å; I56-L60 HydrophobicContact CG2-CG 4.17Å; I56-L60 WeakPolarHBondContact O-CG 3.49Å; I56-L60 PolarHBondContact O-N 2.92Å
57R94.6Very high93.9Very high68 Ų6865 Ų6526%0.25732%0.322SS..Hα-helixtrans-58.9-49.3-179.7178.9179.2175.888.43111.8I53 Y54 M55 Y59 L60 L61 M133 T136I53-R57 WeakPolarHBondContact O-CB 3.47Å; I53-R57 PolarHBondContact O-N 2.87Å; Y54-R57 WeakPolarHBondContact O-CB 3.42Å; Y54-R57 PolarHBondContact O-N 2.99Å; M55-R57 VanDerWaalsContact C-N 3.32Å; M55-R57 PolarHBondContact O-N 3.47Å; R57-Y59 VanDerWaalsContact C-N 3.32Å; R57-Y59 PolarHBondContact O-N 3.4Å; R57-L60 PolarHBondContact O-N 3.21Å; R57-L61 HydrophobicContact CG-CD1 3.68Å; R57-L61 HydrophobicContact CG-CG 4.43Å; R57-L61 WeakPolarHBondContact O-CB 3.35Å; R57-L61 WeakPolarHBondContact O-CG 3.3Å; R57-L61 PolarHBondContact O-N 3.45Å; R57-M133 VanDerWaalsContact CD-SD 3.57Å; R57-T136 PolarHBondContact NE-OG1 3.49Å; R57-T136 PolarHBondContact NH2-O 3.15Å
58V93.3Very high94Very high14 Ų1466.1 Ų66.19%0.08533%0.329CS..Hα-helixtrans-62.7-40.2178.5170.70000111.2Y54 M55 I56 Q62Y54-V58 HydrophobicContact CD1-CG2 4.32Å; Y54-V58 HydrophobicContact CE1-CG2 3.78Å; Y54-V58 HydrophobicContact CE2-CG2 4.12Å; Y54-V58 WeakPolarHBondContact O-CG2 3.38Å; Y54-V58 PolarHBondContact O-N 2.96Å; M55-V58 PolarHBondContact O-N 3.36Å; I56-V58 PolarHBondContact O-N 3.46Å; V58-Q62 WeakPolarHBondContact O-CA 3.48Å; V58-Q62 PolarHBondContact O-N 2.92Å
59Y92.7Very high94Very high172 Ų17263.9 Ų63.968%0.67531%0.313SS*.Hα-helixtrans-65.8-41.5177.1-178.4-97.3000112.6M55 I56 R57 Q62M55-Y59 VanDerWaalsContact O-CB 3.3Å; M55-Y59 WeakPolarHBondContact O-CB 3.47Å; M55-Y59 PolarHBondContact O-N 3.26Å; I56-Y59 PolarHBondContact O-N 2.91Å; R57-Y59 VanDerWaalsContact C-N 3.32Å; R57-Y59 PolarHBondContact O-N 3.4Å; Y59-Q62 PolarHBondContact O-NE2 2.86Å
60L93Very high93.9Very high126 Ų12664.9 Ų64.966%0.6632%0.318SS*.Hα-helixtrans-72-39.2178.8-68.8176.4000112.3I56 R57I56-L60 HydrophobicContact CG2-CD1 3.7Å; I56-L60 HydrophobicContact CG2-CG 4.17Å; I56-L60 WeakPolarHBondContact O-CG 3.49Å; I56-L60 PolarHBondContact O-N 2.92Å; R57-L60 PolarHBondContact O-N 3.21Å
61L90.8Very high93.8Very high83 Ų8363.2 Ų63.244%0.43531%0.309SS..Hα-helixtrans-84.9-11.4-177.2-63.3176.3000113.7R57 G63 W64R57-L61 HydrophobicContact CG-CD1 3.68Å; R57-L61 HydrophobicContact CG-CG 4.43Å; R57-L61 WeakPolarHBondContact O-CB 3.35Å; R57-L61 WeakPolarHBondContact O-CG 3.3Å; R57-L61 PolarHBondContact O-N 3.45Å; L61-G63 PolarHBondContact O-N 2.71Å; L61-G63 VanDerWaalsContact O-N 3.15Å; L61-W64 HydrophobicContact CB-CE3 4.32Å; L61-W64 HydrophobicContact CB-CZ3 3.82Å; L61-W64 HydrophobicContact CD1-CE3 4.48Å; L61-W64 HydrophobicContact CD1-CH2 4.47Å; L61-W64 HydrophobicContact CD1-CZ3 3.97Å; L61-W64 HydrophobicContact CG-CZ3 4.47Å
62Q90.1Very high93.8Very high105 Ų10562.4 Ų62.449%0.49131%0.307SS..THydrogen-bonded Turntrans48.741.8178.7-65.4-72.6-49.500113V58 Y59 Y65V58-Q62 WeakPolarHBondContact O-CA 3.48Å; V58-Q62 PolarHBondContact O-N 2.92Å; Y59-Q62 PolarHBondContact O-NE2 2.86Å; Q62-Y65 VanDerWaalsContact C-CZ 3.5Å; Q62-Y65 VanDerWaalsContact CA-OH 3.32Å; Q62-Y65 WeakPolarHBondContact CA-OH 3.32Å; Q62-Y65 VanDerWaalsContact O-CE2 3.32Å; Q62-Y65 WeakPolarHBondContact O-CE2 3.22Å; Q62-Y65 PolarHBondContact O-OH 3.34Å; Q62-Y65 PolarHBondContact OE1-OH 3.28Å
63G89.1Confident93.7Very high1 Ų158.5 Ų58.51%0.0129%0.291CS..  trans-151.7-176.1-173.800000113.8L61 Y65L61-G63 PolarHBondContact O-N 2.71Å; L61-G63 VanDerWaalsContact O-N 3.15Å; G63-Y65 VanDerWaalsContact C-N 3.25Å; G63-Y65 PolarHBondContact O-N 3.25Å
64W92.3Very high93.6Very high27 Ų2757.7 Ų57.710%0.10228%0.283CS..  trans56.436.2-179.7-60.8-94.4000113.9L61 I66 V67 T68 T136 F138 N142L61-W64 HydrophobicContact CB-CE3 4.32Å; L61-W64 HydrophobicContact CB-CZ3 3.82Å; L61-W64 HydrophobicContact CD1-CE3 4.48Å; L61-W64 HydrophobicContact CD1-CH2 4.47Å; L61-W64 HydrophobicContact CD1-CZ3 3.97Å; L61-W64 HydrophobicContact CG-CZ3 4.47Å; W64-I66 VanDerWaalsContact C-N 3.31Å; W64-I66 PolarHBondContact O-N 3.15Å; W64-V67 HydrophobicContact CB-CB 4.27Å; W64-V67 HydrophobicContact CB-CG2 4.25Å; W64-V67 PolarHBondContact O-N 2.8Å; W64-T68 PolarHBondContact O-N 3.45Å; W64-T68 PolarHBondContact O-OG1 2.74Å; W64-T136 HydrophobicContact CB-CG2 4.02Å; W64-T136 HydrophobicContact CG-CG2 4.04Å; W64-F138 PolarHBondContact NE1-O 3.34Å; W64-N142 HydrophobicContact CD2-CB 4.03Å; W64-N142 HydrophobicContact CG-CB 4.28Å; W64-N142 HydrophobicContact CZ2-CB 4.01Å; W64-N142 PolarHBondContact N-OD1 2.85Å
65Y93.5Very high93.6Very high41 Ų4160 Ų6016%0.16129%0.293CS..Hα-helixtrans-62.6-35.4179.7-59.4-66.1000113Q62 G63 T68 Y69 V145 W147Q62-Y65 VanDerWaalsContact C-CZ 3.5Å; Q62-Y65 VanDerWaalsContact CA-OH 3.32Å; Q62-Y65 WeakPolarHBondContact CA-OH 3.32Å; Q62-Y65 VanDerWaalsContact O-CE2 3.32Å; Q62-Y65 WeakPolarHBondContact O-CE2 3.22Å; Q62-Y65 PolarHBondContact O-OH 3.34Å; Q62-Y65 PolarHBondContact OE1-OH 3.28Å; G63-Y65 VanDerWaalsContact C-N 3.25Å; G63-Y65 PolarHBondContact O-N 3.25Å; Y65-T68 PolarHBondContact O-N 2.72Å; Y65-Y69 VanDerWaalsContact O-CB 3.27Å; Y65-Y69 WeakPolarHBondContact O-CB 3.48Å; Y65-Y69 PolarHBondContact O-N 3.34Å; Y65-V145 HydrophobicContact CD2-CG2 4.38Å; Y65-W147 HydrophobicContact CD1-CB 3.45Å; Y65-W147 VanDerWaalsContact CD1-CB 3.45Å; Y65-W147 AromaticContact CD1-CG 3.97Å; Y65-W147 HydrophobicContact CD1-CG 3.97Å; Y65-W147 HydrophobicContact CD2-CB 3.79Å; Y65-W147 HydrophobicContact CD2-CG 4.4Å; Y65-W147 HydrophobicContact CE1-CB 3.77Å; Y65-W147 HydrophobicContact CE1-CD2 4.24Å; Y65-W147 AromaticContact CE1-CG 3.74Å; Y65-W147 HydrophobicContact CE1-CG 3.74Å; Y65-W147 HydrophobicContact CE2-CB 4.09Å; Y65-W147 AromaticContact CE2-CD1 3.95Å; Y65-W147 HydrophobicContact CE2-CG 4.21Å; Y65-W147 HydrophobicContact CG-CB 3.45Å; Y65-W147 VanDerWaalsContact CG-CB 3.45Å; Y65-W147 HydrophobicContact CG-CG 4.28Å; Y65-W147 AromaticContact CZ-CD1 3.7Å; Y65-W147 AromaticContact CZ-CG 3.87Å
66I93.4Very high93.4Very high70 Ų7056 Ų5636%0.35927%0.274SS..Hα-helixtrans-64.3-42.7176-59.4-176.1000110.8W64 T68 Y69 A70 V143 V145W64-I66 VanDerWaalsContact C-N 3.31Å; W64-I66 PolarHBondContact O-N 3.15Å; I66-T68 VanDerWaalsContact C-N 3.34Å; I66-T68 PolarHBondContact O-N 3.13Å; I66-Y69 PolarHBondContact O-N 3.39Å; I66-A70 WeakPolarHBondContact O-CB 3.4Å; I66-A70 PolarHBondContact O-N 3.49Å; I66-V143 HydrophobicContact CD1-CB 3.71Å; I66-V143 HydrophobicContact CD1-CG1 4.33Å; I66-V143 HydrophobicContact CD1-CG2 4.14Å; I66-V145 HydrophobicContact CD1-CG1 3.91Å; I66-V145 HydrophobicContact CG1-CG1 4.14Å; I66-V145 HydrophobicContact CG1-CG2 4.09Å
67V94.9Very high93.2Very high17 Ų1757.2 Ų57.210%0.10328%0.281CS..Hα-helixtrans-62.8-44.6177.5-178.90000110.2W64 Y69 A70 L71 A132 C135 F141W64-V67 HydrophobicContact CB-CB 4.27Å; W64-V67 HydrophobicContact CB-CG2 4.25Å; W64-V67 PolarHBondContact O-N 2.8Å; V67-Y69 VanDerWaalsContact C-N 3.34Å; V67-Y69 PolarHBondContact O-N 2.99Å; V67-A70 PolarHBondContact O-N 3.43Å; V67-L71 WeakPolarHBondContact O-CB 3.44Å; V67-L71 PolarHBondContact O-N 2.95Å; V67-A132 HydrophobicContact CG1-CB 3.89Å; V67-C135 HydrophobicContact CG1-CB 3.89Å; V67-C135 HydrophobicContact CG2-CB 4.21Å; V67-F141 HydrophobicContact CG2-CB 3.66Å; V67-F141 HydrophobicContact CG2-CG 4.44Å
68T94.8Very high93Very high31 Ų3154.6 Ų54.619%0.1927%0.272CS..Hα-helixtrans-62.8-41.3176.5-56.90000112Y54 W64 Y65 I66 L71 G72Y54-T68 HydrophobicContact CE1-CG2 4.18Å; Y54-T68 WeakPolarHBondContact OH-CA 3.49Å; Y54-T68 PolarHBondContact OH-N 3.42Å; Y54-T68 PolarHBondContact OH-OG1 3.27Å; W64-T68 PolarHBondContact O-N 3.45Å; W64-T68 PolarHBondContact O-OG1 2.74Å; Y65-T68 PolarHBondContact O-N 2.72Å; I66-T68 VanDerWaalsContact C-N 3.34Å; I66-T68 PolarHBondContact O-N 3.13Å; T68-L71 WeakPolarHBondContact O-CB 3.48Å; T68-L71 PolarHBondContact O-N 3.04Å; T68-G72 PolarHBondContact O-N 3.21Å
69Y94.1Very high92.7Very high67 Ų6757.4 Ų57.426%0.26328%0.283SS..Hα-helixtrans-64.1-46.4176.5178.9-107.5000112Y65 I66 V67 L71 G72 I73 L150 F154Y65-Y69 VanDerWaalsContact O-CB 3.27Å; Y65-Y69 WeakPolarHBondContact O-CB 3.48Å; Y65-Y69 PolarHBondContact O-N 3.34Å; I66-Y69 PolarHBondContact O-N 3.39Å; V67-Y69 VanDerWaalsContact C-N 3.34Å; V67-Y69 PolarHBondContact O-N 2.99Å; Y69-L71 VanDerWaalsContact C-N 3.32Å; Y69-L71 PolarHBondContact O-N 2.77Å; Y69-G72 PolarHBondContact O-N 2.98Å; Y69-G72 VanDerWaalsContact O-N 3.16Å; Y69-I73 HydrophobicContact CD1-CD1 3.92Å; Y69-I73 HydrophobicContact CE1-CD1 3.31Å; Y69-I73 HydrophobicContact CE1-CG1 4.41Å; Y69-I73 HydrophobicContact CE2-CD1 4.05Å; Y69-I73 HydrophobicContact CE2-CG1 4.46Å; Y69-I73 PolarHBondContact O-N 2.72Å; Y69-L150 HydrophobicContact CD1-CD2 4.44Å; Y69-L150 HydrophobicContact CD2-CB 4.09Å; Y69-L150 HydrophobicContact CD2-CD2 4.43Å; Y69-L150 HydrophobicContact CE1-CD2 4.49Å; Y69-L150 HydrophobicContact CE2-CD2 4.5Å; Y69-L150 HydrophobicContact CG-CD2 4.39Å; Y69-F154 HydrophobicContact CD2-CB 4.33Å; Y69-F154 HydrophobicContact CE2-CB 4.07Å
70A94.9Very high92.4Very high54 Ų5450.6 Ų50.645%0.44626%0.258SS..Hα-helixtrans-60.6-42.5175.100000111.5I66 V67 G72 I73 Y74I66-A70 WeakPolarHBondContact O-CB 3.4Å; I66-A70 PolarHBondContact O-N 3.49Å; V67-A70 PolarHBondContact O-N 3.43Å; A70-G72 VanDerWaalsContact C-N 3.33Å; A70-G72 PolarHBondContact O-N 2.91Å; A70-I73 PolarHBondContact O-N 2.94Å; A70-Y74 VanDerWaalsContact O-CB 3.26Å; A70-Y74 WeakPolarHBondContact O-CB 3.31Å; A70-Y74 PolarHBondContact O-N 3.49Å
71L95.3Very high91.9Very high14 Ų1445.6 Ų45.67%0.07324%0.235CC..Hα-helixtrans-60.2-42.7174.1-174.566.4000111.5Y54 V67 T68 Y69 Y74 H75 G128 I129 A132Y54-L71 HydrophobicContact CD1-CD2 4.08Å; Y54-L71 HydrophobicContact CE1-CD2 3.74Å; V67-L71 WeakPolarHBondContact O-CB 3.44Å; V67-L71 PolarHBondContact O-N 2.95Å; T68-L71 WeakPolarHBondContact O-CB 3.48Å; T68-L71 PolarHBondContact O-N 3.04Å; Y69-L71 VanDerWaalsContact C-N 3.32Å; Y69-L71 PolarHBondContact O-N 2.77Å; L71-Y74 PolarHBondContact O-N 2.8Å; L71-H75 VanDerWaalsContact CD1-CE1 3.45Å; L71-H75 WeakPolarHBondContact CD1-CE1 3.32Å; L71-H75 PolarHBondContact O-N 3.49Å; L71-H75 PolarHBondContact O-ND1 2.95Å; L71-G128 VanDerWaalsContact CD1-C 3.44Å; L71-G128 WeakPolarHBondContact CD1-O 3.49Å; L71-I129 HydrophobicContact CD2-CG1 4.47Å; L71-A132 HydrophobicContact CB-CB 4.27Å; L71-A132 HydrophobicContact CD1-CB 3.9Å; L71-A132 HydrophobicContact CD2-CB 3.78Å; L71-A132 HydrophobicContact CG-CB 4.19Å
72G94.4Very high91.5Very high18 Ų1843 Ų4319%0.18622%0.22CC..Hα-helixtrans-62.5-49.3177.400000112.6T68 Y69 A70 Y74 H75 L76 F154T68-G72 PolarHBondContact O-N 3.21Å; Y69-G72 PolarHBondContact O-N 2.98Å; Y69-G72 VanDerWaalsContact O-N 3.16Å; A70-G72 VanDerWaalsContact C-N 3.33Å; A70-G72 PolarHBondContact O-N 2.91Å; G72-Y74 VanDerWaalsContact C-N 3.28Å; G72-Y74 PolarHBondContact O-N 3.4Å; G72-H75 PolarHBondContact O-N 3Å; G72-L76 PolarHBondContact O-N 3.49Å; G72-F154 VanDerWaalsContact C-CE2 3.42Å; G72-F154 WeakPolarHBondContact O-CE2 3.29Å
73I94.6Very high90.9Very high58 Ų5838.9 Ų38.930%0.29720%0.201SC..Hα-helixtrans-60.2-42.1175.5-70.5173.9000110.8Y69 A70 H75 L76 N77 F154 L157Y69-I73 HydrophobicContact CD1-CD1 3.92Å; Y69-I73 HydrophobicContact CE1-CD1 3.31Å; Y69-I73 HydrophobicContact CE1-CG1 4.41Å; Y69-I73 HydrophobicContact CE2-CD1 4.05Å; Y69-I73 HydrophobicContact CE2-CG1 4.46Å; Y69-I73 PolarHBondContact O-N 2.72Å; A70-I73 PolarHBondContact O-N 2.94Å; I73-H75 PolarHBondContact O-N 3.1Å; I73-L76 WeakPolarHBondContact O-CB 3.45Å; I73-L76 PolarHBondContact O-N 2.88Å; I73-N77 WeakPolarHBondContact O-CB 3.47Å; I73-N77 PolarHBondContact O-N 3.01Å; I73-F154 HydrophobicContact CG1-CD2 4.43Å; I73-L157 HydrophobicContact CG1-CD2 4.27Å
74Y94.9Very high90.3Very high80 Ų8039.7 Ų39.731%0.31421%0.207SC..Hα-helixtrans-60.7-44.2177.4173.4-104.1000112A70 L71 G72 N77 L78 S124A70-Y74 VanDerWaalsContact O-CB 3.26Å; A70-Y74 WeakPolarHBondContact O-CB 3.31Å; A70-Y74 PolarHBondContact O-N 3.49Å; L71-Y74 PolarHBondContact O-N 2.8Å; G72-Y74 VanDerWaalsContact C-N 3.28Å; G72-Y74 PolarHBondContact O-N 3.4Å; Y74-N77 PolarHBondContact O-N 3.25Å; Y74-L78 HydrophobicContact CD1-CD1 3.89Å; Y74-L78 HydrophobicContact CE1-CD1 3.38Å; Y74-L78 HydrophobicContact CE1-CG 4.23Å; Y74-L78 HydrophobicContact CE2-CD1 4.36Å; Y74-L78 HydrophobicContact CE2-CG 4.39Å; Y74-L78 WeakPolarHBondContact O-CG 3.37Å; Y74-L78 PolarHBondContact O-N 3.13Å; Y74-S124 WeakPolarHBondContact CE1-O 3.26Å; Y74-S124 WeakPolarHBondContact OH-CB 3.42Å; Y74-S124 PolarHBondContact OH-O 3.42Å
75H94.1Very high89.3Confident49 Ų4939.3 Ų39.323%0.22721%0.208CC..Hα-helixtrans-64-40.3174.2-7981.8000112.5L71 G72 I73 N77 L78 F79L71-H75 VanDerWaalsContact CD1-CE1 3.45Å; L71-H75 WeakPolarHBondContact CD1-CE1 3.32Å; L71-H75 PolarHBondContact O-N 3.49Å; L71-H75 PolarHBondContact O-ND1 2.95Å; G72-H75 PolarHBondContact O-N 3Å; I73-H75 PolarHBondContact O-N 3.1Å; H75-N77 VanDerWaalsContact C-N 3.32Å; H75-N77 PolarHBondContact O-N 3.36Å; H75-L78 PolarHBondContact O-N 2.86Å; H75-F79 WeakPolarHBondContact O-CB 3.41Å; H75-F79 PolarHBondContact O-N 3.34Å
76L91.6Very high87.8Confident10 Ų1044.3 Ų44.35%0.05223%0.23CC..Hα-helixtrans-59.8-44.5173.9177.156.1000111G72 I73 L78 F79 I80 F154 L157 F158G72-L76 PolarHBondContact O-N 3.49Å; I73-L76 WeakPolarHBondContact O-CB 3.45Å; I73-L76 PolarHBondContact O-N 2.88Å; L76-L78 PolarHBondContact O-N 3.4Å; L76-F79 WeakPolarHBondContact O-CB 3.27Å; L76-F79 PolarHBondContact O-N 3.05Å; L76-F79 VanDerWaalsContact O-N 3.16Å; L76-I80 HydrophobicContact CD1-CD1 4.29Å; L76-I80 HydrophobicContact CD1-CG1 4.39Å; L76-I80 HydrophobicContact CG-CD1 4.14Å; L76-I80 VanDerWaalsContact O-CG1 3.28Å; L76-I80 WeakPolarHBondContact O-CG1 3.33Å; L76-I80 PolarHBondContact O-N 3.2Å; L76-F154 HydrophobicContact CB-CE2 4.49Å; L76-L157 HydrophobicContact CD2-CD2 4.3Å; L76-L157 HydrophobicContact CD2-CG 4.24Å; L76-F158 HydrophobicContact CD1-CD2 3.6Å; L76-F158 HydrophobicContact CD1-CE2 3.98Å; L76-F158 HydrophobicContact CD2-CB 4.39Å; L76-F158 HydrophobicContact CD2-CD2 4.38Å; L76-F158 HydrophobicContact CG-CD2 4.47Å
77N91.5Very high86.3Confident96 Ų9645.1 Ų45.151%0.51324%0.238SC..Hα-helixtrans-62.5-43.1176.7-175.949.9000112.4I73 Y74 H75 F79 I80 A81I73-N77 WeakPolarHBondContact O-CB 3.47Å; I73-N77 PolarHBondContact O-N 3.01Å; Y74-N77 PolarHBondContact O-N 3.25Å; H75-N77 VanDerWaalsContact C-N 3.32Å; H75-N77 PolarHBondContact O-N 3.36Å; N77-F79 VanDerWaalsContact C-N 3.27Å; N77-F79 PolarHBondContact O-N 3.28Å; N77-I80 PolarHBondContact O-N 3.07Å; N77-A81 WeakPolarHBondContact O-CB 3.32Å; N77-A81 PolarHBondContact O-N 3.36Å
78L89.1Confident84.8Confident13 Ų1347.4 Ų47.47%0.06825%0.25CC..Hα-helixtrans-60.1-39.9173.3-72.9171.4000111.6Y74 H75 L76 A81 F82 L116 F121 A125Y74-L78 HydrophobicContact CD1-CD1 3.89Å; Y74-L78 HydrophobicContact CE1-CD1 3.38Å; Y74-L78 HydrophobicContact CE1-CG 4.23Å; Y74-L78 HydrophobicContact CE2-CD1 4.36Å; Y74-L78 HydrophobicContact CE2-CG 4.39Å; Y74-L78 WeakPolarHBondContact O-CG 3.37Å; Y74-L78 PolarHBondContact O-N 3.13Å; H75-L78 PolarHBondContact O-N 2.86Å; L76-L78 PolarHBondContact O-N 3.4Å; L78-A81 PolarHBondContact O-N 3.1Å; L78-F82 WeakPolarHBondContact O-CB 3.33Å; L78-F82 PolarHBondContact O-N 2.75Å; L78-L116 HydrophobicContact CD2-CD2 3.86Å; L78-F121 HydrophobicContact CB-CD2 3.97Å; L78-F121 HydrophobicContact CB-CE2 3.68Å; L78-A125 HydrophobicContact CD1-CB 4.26Å
79F87.6Confident83.1Confident74 Ų7447.5 Ų47.533%0.32525%0.251SS..Hα-helixtrans-67.9-40.5180-169.1-113.6000111.8H75 L76 N77 F82 L83 M162H75-F79 WeakPolarHBondContact O-CB 3.41Å; H75-F79 PolarHBondContact O-N 3.34Å; L76-F79 WeakPolarHBondContact O-CB 3.27Å; L76-F79 PolarHBondContact O-N 3.05Å; L76-F79 VanDerWaalsContact O-N 3.16Å; N77-F79 VanDerWaalsContact C-N 3.27Å; N77-F79 PolarHBondContact O-N 3.28Å; F79-F82 WeakPolarHBondContact O-CB 3.32Å; F79-F82 PolarHBondContact O-N 3.29Å; F79-L83 HydrophobicContact CD1-CD1 3.89Å; F79-L83 HydrophobicContact CE1-CD1 3.52Å; F79-L83 HydrophobicContact CE1-CG 4.36Å; F79-L83 HydrophobicContact CZ-CD1 3.93Å; F79-L83 HydrophobicContact CZ-CG 4.42Å; F79-L83 WeakPolarHBondContact O-CG 3.17Å; F79-L83 PolarHBondContact O-N 2.96Å; F79-M162 HydrophobicContact CD1-CE 4.22Å; F79-M162 HydrophobicContact CD1-SD 3.61Å; F79-M162 HydrophobicContact CE1-CE 3.54Å; F79-M162 HydrophobicContact CE1-SD 3.54Å; F79-M162 VanDerWaalsContact CE1-SD 3.54Å
80I86.3Confident81.5Confident29 Ų2945.8 Ų45.815%0.14925%0.249CC..Hα-helixtrans-60.8-49.6171.7-64.2159.1000110L76 N77 F82 L83 S84 T161 Q165L76-I80 HydrophobicContact CD1-CD1 4.29Å; L76-I80 HydrophobicContact CD1-CG1 4.39Å; L76-I80 HydrophobicContact CG-CD1 4.14Å; L76-I80 VanDerWaalsContact O-CG1 3.28Å; L76-I80 WeakPolarHBondContact O-CG1 3.33Å; L76-I80 PolarHBondContact O-N 3.2Å; N77-I80 PolarHBondContact O-N 3.07Å; I80-F82 PolarHBondContact O-N 3.16Å; I80-L83 CarbonylContact O-C 3.56Å; I80-L83 PolarHBondContact O-N 2.96Å; I80-S84 WeakPolarHBondContact O-CB 3.39Å; I80-S84 PolarHBondContact O-N 3.37Å; I80-S84 PolarHBondContact O-OG 3.16Å; I80-T161 HydrophobicContact CD1-CG2 3.22Å; I80-T161 HydrophobicContact CG1-CG2 3.89Å; I80-Q165 HydrophobicContact CG1-CG 4.16Å; I80-Q165 HydrophobicContact CG2-CG 4.13Å
81A83.6Confident79.8Confident20 Ų2048.9 Ų48.917%0.16526%0.257CS..Hα-helixtrans-61.8-26.8178.600000113.1N77 L78 R115 L116N77-A81 WeakPolarHBondContact O-CB 3.32Å; N77-A81 PolarHBondContact O-N 3.36Å; L78-A81 PolarHBondContact O-N 3.1Å; A81-R115 WeakPolarHBondContact O-CB 3.41Å; A81-L116 HydrophobicContact CB-CB 4.44Å; A81-L116 PolarHBondContact O-N 2.86Å
82F82Confident78.1Confident29 Ų2951.9 Ų51.913%0.12727%0.272CS..Hα-helixtrans-73.4-38.4172.6177.8-97.6000112.6L78 F79 I80 E118 F121L78-F82 WeakPolarHBondContact O-CB 3.33Å; L78-F82 PolarHBondContact O-N 2.75Å; F79-F82 WeakPolarHBondContact O-CB 3.32Å; F79-F82 PolarHBondContact O-N 3.29Å; I80-F82 PolarHBondContact O-N 3.16Å; F82-E118 HydrophobicContact CE2-CB 4.49Å; F82-F121 HydrophobicContact CB-CD2 3.94Å; F82-F121 HydrophobicContact CB-CE2 4.36Å; F82-F121 HydrophobicContact CD2-CB 4.37Å; F82-F121 HydrophobicContact CD2-CD2 4.42Å; F82-F121 HydrophobicContact CD2-CG 4.45Å; F82-F121 HydrophobicContact CG-CD2 4.4Å
83L78.1Confident76.3Confident18 Ų1856.5 Ų56.59%0.09429%0.289CS..Hα-helixtrans-81.2-25.9179.2-67.6177.6000113.5F79 I80 M162 M169 Y174 P176F79-L83 HydrophobicContact CD1-CD1 3.89Å; F79-L83 HydrophobicContact CE1-CD1 3.52Å; F79-L83 HydrophobicContact CE1-CG 4.36Å; F79-L83 HydrophobicContact CZ-CD1 3.93Å; F79-L83 HydrophobicContact CZ-CG 4.42Å; F79-L83 WeakPolarHBondContact O-CG 3.17Å; F79-L83 PolarHBondContact O-N 2.96Å; I80-L83 CarbonylContact O-C 3.56Å; I80-L83 PolarHBondContact O-N 2.96Å; L83-M162 HydrophobicContact CD1-CE 3.87Å; L83-M162 HydrophobicContact CD1-SD 4.4Å; L83-M169 HydrophobicContact CD2-CE 4.44Å; L83-Y174 WeakPolarHBondContact O-CE2 3.26Å; L83-P176 HydrophobicContact CD2-CB 4.29Å; L83-P176 HydrophobicContact CD2-CG 4.08Å
84S76.3Confident74.5Confident19 Ų1960.2 Ų60.213%0.13331%0.309CS..SBendtrans-75.1139.7178.8-59.20000111.4I80 R115I80-S84 WeakPolarHBondContact O-CB 3.39Å; I80-S84 PolarHBondContact O-N 3.37Å; I80-S84 PolarHBondContact O-OG 3.16Å; S84-R115 VanDerWaalsContact O-CB 3.3Å; S84-R115 WeakPolarHBondContact O-CB 3.45Å; S84-R115 PolarHBondContact O-N 3.48Å
85P70.4Confident72.6Confident18 Ų1860.9 Ų60.912%0.11733%0.326CS..BIsolated β-bridgetrans-67.6153.5175.129.7-34.4000110.4V87 P89 F112 Y174P85-V87 VanDerWaalsContact C-N 3.28Å; P85-V87 WeakPolarHBondContact CB-O 3.48Å; P85-V87 PolarHBondContact O-N 3.35Å; P85-P89 HydrophobicContact CG-CG 4.18Å; P85-F112 HydrophobicContact CB-CD1 4.44Å; P85-F112 HydrophobicContact CB-CE1 4.3Å; P85-Y174 VanDerWaalsContact CD-CZ 3.41Å; P85-Y174 WeakPolarHBondContact CD-OH 3.08Å; P85-Y174 HydrophobicContact CG-CD1 4.33Å; P85-Y174 HydrophobicContact CG-CE1 3.9Å; P85-Y174 HydrophobicContact CG-CE2 4.4Å
86K62.8Low70.7Confident146 Ų14664 Ų6464%0.63534%0.344SS*.SBendtrans-64.1-34178.7-172.9179176.4-173.90112.7I113K86-I113 HydrophobicContact CB-CG2 4.32Å; K86-I113 WeakPolarHBondContact CB-O 3.37Å; K86-I113 HydrophobicContact CD-CG2 4.04Å; K86-I113 PolarHBondContact N-O 2.91Å
87V60.8Low68.7Low87 Ų8771.9 Ų71.953%0.52739%0.386SS..SBendtrans-116.4125.4173.8-172.40000106.9P85 P89 M92P85-V87 VanDerWaalsContact C-N 3.28Å; P85-V87 WeakPolarHBondContact CB-O 3.48Å; P85-V87 PolarHBondContact O-N 3.35Å; V87-P89 VanDerWaalsContact O-CD 3.31Å; V87-P89 WeakPolarHBondContact O-CD 3.42Å; V87-M92 HydrophobicContact CB-CE 4.21Å; V87-M92 HydrophobicContact CG1-CE 3.53Å
88D63.6Low67.3Low65 Ų6569.1 Ų69.135%0.34838%0.38SS..  trans-71.8118.4-178-163.9-26.5000109.8S90 L91 H168D88-S90 PolarHBondContact O-N 3.01Å; D88-S90 PolarHBondContact OD1-N 2.91Å; D88-S90 VanDerWaalsContact OD1-N 3.13Å; D88-S90 PolarHBondContact OD1-OG 3.14Å; D88-S90 PolarHBondContact OD2-OG 2.96Å; D88-L91 HydrophobicContact CB-CD1 4.04Å; D88-L91 HydrophobicContact CB-CG 4.14Å; D88-L91 PolarHBondContact O-N 2.86Å; D88-H168 IonicContact OD1-CE1 3.85Å; D88-H168 IonicContact OD1-NE2 3.99Å
89P59.6Low65.4Low33 Ų3375.3 Ų75.321%0.21442%0.422CS..THydrogen-bonded Turntrans-61.2-25.8179.6-23.534.6000113.5P85 V87 L91 M92 E93 Y172 Y174P85-P89 HydrophobicContact CG-CG 4.18Å; V87-P89 VanDerWaalsContact O-CD 3.31Å; V87-P89 WeakPolarHBondContact O-CD 3.42Å; P89-L91 VanDerWaalsContact C-N 3.26Å; P89-L91 PolarHBondContact O-N 2.95Å; P89-M92 PolarHBondContact O-N 3.42Å; P89-M92 VanDerWaalsContact O-N 3.13Å; P89-E93 PolarHBondContact O-N 3.25Å; P89-Y172 HydrophobicContact CB-CD1 3.71Å; P89-Y172 HydrophobicContact CB-CE1 4.33Å; P89-Y172 HydrophobicContact CB-CG 4.05Å; P89-Y172 HydrophobicContact CG-CG 4.49Å; P89-Y174 HydrophobicContact CG-CD1 4.17Å; P89-Y174 HydrophobicContact CG-CE1 4.49Å
90S60.5Low63.9Low31 Ų3176 Ų7622%0.21744%0.435CS..Hα-helixtrans-63.4-32.8177.758.80000112.6D88 M92 E93 D94D88-S90 PolarHBondContact O-N 3.01Å; D88-S90 PolarHBondContact OD1-N 2.91Å; D88-S90 VanDerWaalsContact OD1-N 3.13Å; D88-S90 PolarHBondContact OD1-OG 3.14Å; D88-S90 PolarHBondContact OD2-OG 2.96Å; S90-M92 VanDerWaalsContact C-N 3.29Å; S90-M92 PolarHBondContact O-N 2.98Å; S90-E93 PolarHBondContact O-N 2.76Å; S90-D94 PolarHBondContact O-N 2.99Å
91L59.4Low62.1Low119 Ų11981.8 Ų81.862%0.62347%0.466SS*.Hα-helixtrans-73.3-20.3176.3-62.4175.2000113.2D88 P89D88-L91 HydrophobicContact CB-CD1 4.04Å; D88-L91 HydrophobicContact CB-CG 4.14Å; D88-L91 PolarHBondContact O-N 2.86Å; P89-L91 VanDerWaalsContact C-N 3.26Å; P89-L91 PolarHBondContact O-N 2.95Å
92M58.8Low60.3Low77 Ų7786.6 Ų86.638%0.37950%0.495SS..Hα-helixtrans-81.4-34.2174.1-64.3-171.6177.200111.3V87 P89 S90 D94 S95V87-M92 HydrophobicContact CB-CE 4.21Å; V87-M92 HydrophobicContact CG1-CE 3.53Å; P89-M92 PolarHBondContact O-N 3.42Å; P89-M92 VanDerWaalsContact O-N 3.13Å; S90-M92 VanDerWaalsContact C-N 3.29Å; S90-M92 PolarHBondContact O-N 2.98Å; M92-D94 VanDerWaalsContact C-N 3.31Å; M92-D94 PolarHBondContact O-N 3.35Å; M92-S95 PolarHBondContact O-N 3.42Å; M92-S95 PolarHBondContact O-OG 2.98Å
93E56.9Low58.6Low115 Ų11591.3 Ų91.354%0.53753%0.527SS..Hα-helixtrans-62.5-37.4178.7-150.6172-15800111.5P89 S90 S95 Y172P89-E93 PolarHBondContact O-N 3.25Å; S90-E93 PolarHBondContact O-N 2.76Å; E93-S95 PolarHBondContact O-N 2.91Å; E93-Y172 VanDerWaalsContact OE2-CE1 3.26Å; E93-Y172 WeakPolarHBondContact OE2-CE1 3.44Å; E93-Y172 PolarHBondContact OE2-OH 2.91Å
94D56.3Low57.4Low136 Ų13699.9 Ų99.973%0.72756%0.563SS**THydrogen-bonded Turntrans-73.2-8.1177.8-67.3-26.7000114.2S90 M92S90-D94 PolarHBondContact O-N 2.99Å; M92-D94 VanDerWaalsContact C-N 3.31Å; M92-D94 PolarHBondContact O-N 3.35Å
95S55.9Low56Low95 Ų95107.8 Ų107.866%0.66460%0.598SS**THydrogen-bonded Turntrans-105.6-1.3-177.957.10000114.6M92 E93M92-S95 PolarHBondContact O-N 3.42Å; M92-S95 PolarHBondContact O-OG 2.98Å; E93-S95 PolarHBondContact O-N 2.91Å
96D53.9Low54.9Low115 Ų115114.1 Ų114.162%0.61563%0.631SS**  trans-110.829.1-172.9-140.519.1000112.7G98D96-G98 PolarHBondContact O-N 3.43Å
97D50Low54.2Low174 Ų174112.9 Ų112.993%0.9363%0.627SS**  trans-79.948176.6-14114.2000111.6
98G61.3Low53.6Low38 Ų38114.9 Ų114.939%0.39263%0.631SS.*SBendtrans-123.4143.817000000109.4D96 S100D96-G98 PolarHBondContact O-N 3.43Å; G98-S100 PolarHBondContact O-N 2.87Å
99P48.3Very low52.7Low144 Ų144117.6 Ų117.694%0.93564%0.64SS**  trans-66.496.9-172.426.6-32.4000110.4
100S56.7Low52.5Low87 Ų87122.4 Ų122.461%0.60865%0.654SS**  trans-95.4132.3177.260.40000110.7G98G98-S100 PolarHBondContact O-N 2.87Å
101L48.3Very low52.2Low152 Ų152125.7 Ų125.780%0.79667%0.674SS**  trans-62.7139.6-179.8-79131.5000110.5T103L101-T103 PolarHBondContact O-N 2.91Å
102P45.6Very low51.9Low120 Ų120123.1 Ų123.178%0.77966%0.658SS**  trans-7583.1-174.529.8-33.2000111.5K104P102-K104 PolarHBondContact O-N 2.8Å
103T47.2Very low51.8Low128 Ų128125 Ų12579%0.78567%0.669SS**  trans-8975.1167.240.30000110.9L101 Q105L101-T103 PolarHBondContact O-N 2.91Å; T103-Q105 PolarHBondContact O-N 2.95Å
104K51.8Low52.3Low199 Ų199123.7 Ų123.787%0.86566%0.659SS**THydrogen-bonded Turntrans-65.978.6161.5-76.9-179.2175175.80109.6P102P102-K104 PolarHBondContact O-N 2.8Å
105Q47.1Very low52.7Low184 Ų184125.1 Ų125.186%0.8665%0.654SS**THydrogen-bonded Turntrans-174.79.2157.9-112.2171.420.400117.1T103T103-Q105 PolarHBondContact O-N 2.95Å
106N47.3Very low53.5Low151 Ų151122 Ų12281%0.80763%0.63SS**  trans-121.785.7164.9-78.3-46.3000107.9E108N106-E108 PolarHBondContact O-N 3.46Å
107E49.5Very low54.8Low120 Ų120119.7 Ų119.756%0.56162%0.621SS**  trans-57.491.1157.1-68.7-173.4163.200106.4F109 R173E107-F109 VanDerWaalsContact C-N 3.27Å; E107-F109 PolarHBondContact O-N 2.89Å; E107-R173 IonicContact OE1-CZ 3.52Å; E107-R173 IonicContact OE1-NH1 3.62Å; E107-R173 IonicContact OE1-NH2 2.66Å; E107-R173 PolarHBondContact OE1-NH2 3.38Å
108E47.5Very low56.4Low129 Ų129114.4 Ų114.460%0.60359%0.591SS**  trans-59.197.3176.1-168.2-172.2155.200106.3N106 R110N106-E108 PolarHBondContact O-N 3.46Å; E108-R110 HydrophobicContact CG-CG 4.27Å; E108-R110 PolarHBondContact O-N 3.16Å; E108-R110 IonicContact OE1-CZ 2.78Å; E108-R110 IonicContact OE1-NE 3.51Å; E108-R110 IonicContact OE1-NH1 3.94Å; E108-R110 PolarHBondContact OE1-NH1 3.38Å; E108-R110 IonicContact OE2-CZ 3.5Å; E108-R110 IonicContact OE2-NH1 3.74Å; E108-R110 IonicContact OE2-NH2 3.65Å
109F44.9Very low57.5Low123 Ų123114.6 Ų114.654%0.53958%0.581SS.*  trans-71.382.6-179.6-161.1-89.2000106.7E107 P111E107-F109 VanDerWaalsContact C-N 3.27Å; E107-F109 PolarHBondContact O-N 2.89Å; F109-P111 WeakPolarHBondContact O-CD 3.44Å
110R56.3Low59.2Low134 Ų134113.8 Ų113.851%0.50656%0.563SS.*  trans-69.4113.9173.7-58.9-155.4-156.2-108.117.1106.9E108 F112E108-R110 HydrophobicContact CG-CG 4.27Å; E108-R110 PolarHBondContact O-N 3.16Å; E108-R110 IonicContact OE1-CZ 2.78Å; E108-R110 IonicContact OE1-NE 3.51Å; E108-R110 IonicContact OE1-NH1 3.94Å; E108-R110 PolarHBondContact OE1-NH1 3.38Å; E108-R110 IonicContact OE2-CZ 3.5Å; E108-R110 IonicContact OE2-NH1 3.74Å; E108-R110 IonicContact OE2-NH2 3.65Å; R110-F112 PolarHBondContact O-N 3.45Å; R110-F112 VanDerWaalsContact O-N 3.15Å
111P53.2Low60.7Low100 Ų100110.7 Ų110.765%0.64954%0.538SS*.  trans-57.2124.5178.9-20.932.5000108.9F109 I113F109-P111 WeakPolarHBondContact O-CD 3.44Å; P111-I113 PolarHBondContact O-N 2.89Å
112F52.7Low62.8Low65 Ų65104.5 Ų104.529%0.28550%0.504SS..  trans-63.898177.8-87-78.4000110.6P85 R110 R114 Y174 I175P85-F112 HydrophobicContact CB-CD1 4.44Å; P85-F112 HydrophobicContact CB-CE1 4.3Å; R110-F112 PolarHBondContact O-N 3.45Å; R110-F112 VanDerWaalsContact O-N 3.15Å; F112-R114 PolarHBondContact O-N 3.44Å; F112-Y174 AromaticContact CD1-CD2 3.79Å; F112-Y174 HydrophobicContact CD1-CD2 3.79Å; F112-Y174 HydrophobicContact CD1-CG 4.14Å; F112-Y174 HydrophobicContact CE1-CD1 4.01Å; F112-Y174 AromaticContact CE1-CD2 3.27Å; F112-Y174 HydrophobicContact CE1-CD2 3.27Å; F112-Y174 HydrophobicContact CE1-CE2 4.32Å; F112-Y174 AromaticContact CE1-CG 3.16Å; F112-Y174 HydrophobicContact CE1-CG 3.16Å; F112-Y174 VanDerWaalsContact CE2-CA 3.4Å; F112-Y174 HydrophobicContact CZ-CD1 4.39Å; F112-Y174 AromaticContact CZ-CD2 3.93Å; F112-Y174 HydrophobicContact CZ-CD2 3.93Å; F112-Y174 AromaticContact CZ-CG 3.48Å; F112-Y174 HydrophobicContact CZ-CG 3.48Å; F112-Y174 VanDerWaalsContact CZ-CG 3.48Å; F112-I175 VanDerWaalsContact CD2-O 3.29Å; F112-I175 WeakPolarHBondContact CD2-O 3.35Å
113I57Low64.9Low116 Ų116100.9 Ų100.960%0.59548%0.477SS*.  trans-84.5100.7165.2-56.1175.1000106.4K86 P111K86-I113 HydrophobicContact CB-CG2 4.32Å; K86-I113 WeakPolarHBondContact CB-O 3.37Å; K86-I113 HydrophobicContact CD-CG2 4.04Å; K86-I113 PolarHBondContact N-O 2.91Å; P111-I113 PolarHBondContact O-N 2.89Å
114R66.9Low67.1Low88 Ų8896.2 Ų96.233%0.33245%0.449SS..BIsolated β-bridgetrans-54136.3173.1-70.3174.2-86.9169.8-4.6109.9F112 L116F112-R114 PolarHBondContact O-N 3.44Å; R114-L116 PolarHBondContact O-N 3.37Å
115R64.6Low69Low165 Ų16586.8 Ų86.862%0.62341%0.409SS*.SBendtrans-61.2-35.6179.3-176.2179.2-179.8-1711.9111.7A81 S84A81-R115 WeakPolarHBondContact O-CB 3.41Å; S84-R115 VanDerWaalsContact O-CB 3.3Å; S84-R115 WeakPolarHBondContact O-CB 3.45Å; S84-R115 PolarHBondContact O-N 3.48Å
116L74.1Confident71.3Confident30 Ų3078.8 Ų78.816%0.15737%0.373CS..SBendtrans-113.8111.7173.8-159.669.8000111.4L78 A81 R114 K120 F121L78-L116 HydrophobicContact CD2-CD2 3.86Å; A81-L116 HydrophobicContact CB-CB 4.44Å; A81-L116 PolarHBondContact O-N 2.86Å; R114-L116 PolarHBondContact O-N 3.37Å; L116-K120 HydrophobicContact CD1-CB 3.82Å; L116-K120 HydrophobicContact CG-CB 4.15Å; L116-F121 HydrophobicContact CD2-CB 3.84Å; L116-F121 HydrophobicContact CD2-CD2 4.09Å; L116-F121 HydrophobicContact CD2-CG 4.46Å; L116-F121 HydrophobicContact CG-CB 4.34Å
117P80.7Confident73.5Confident66 Ų6677.5 Ų77.543%0.42936%0.36SS..  trans-57.5145.4170.6-23.332.8000111.4F119 K120 F121P117-F119 PolarHBondContact O-N 2.84Å; P117-F119 VanDerWaalsContact O-N 3.14Å; P117-K120 HydrophobicContact CG-CD 4.44Å; P117-K120 PolarHBondContact O-N 3.37Å; P117-F121 PolarHBondContact O-N 2.83Å
118E82.9Confident75.7Confident63 Ų6372.2 Ų72.229%0.29434%0.338SS..Hα-helixtrans-52.4-40-178.5-172.3-163.4147.600112.8T40 W44 F82 K120 F121 W122T40-E118 WeakPolarHBondContact CG2-OE1 3.36Å; W44-E118 HydrophobicContact CZ2-CG 4.15Å; W44-E118 PolarHBondContact NE1-OE1 3.29Å; F82-E118 HydrophobicContact CE2-CB 4.49Å; E118-K120 VanDerWaalsContact C-N 3.34Å; E118-K120 PolarHBondContact O-N 3.09Å; E118-F121 WeakPolarHBondContact O-CB 3.48Å; E118-F121 PolarHBondContact O-N 3.36Å; E118-W122 WeakPolarHBondContact O-CB 3.43Å; E118-W122 PolarHBondContact O-N 2.91Å
119F84Confident78Confident43 Ų4366.3 Ų66.319%0.18931%0.31CS..Hα-helixtrans-60.4-43.1177.6-174-94.6000112.4L33 P117 W122 H123L33-F119 HydrophobicContact CB-CE1 4.29Å; L33-F119 HydrophobicContact CB-CZ 3.95Å; L33-F119 HydrophobicContact CD2-CE1 4.35Å; L33-F119 HydrophobicContact CD2-CZ 3.99Å; L33-F119 WeakPolarHBondContact O-CZ 3.28Å; P117-F119 PolarHBondContact O-N 2.84Å; P117-F119 VanDerWaalsContact O-N 3.14Å; F119-W122 HydrophobicContact CE2-CE3 4.36Å; F119-W122 HydrophobicContact CE2-CZ3 4.22Å; F119-W122 HydrophobicContact CZ-CZ3 4.39Å; F119-H123 VanDerWaalsContact O-CB 3.29Å; F119-H123 WeakPolarHBondContact O-CB 3.42Å; F119-H123 PolarHBondContact O-N 3.5Å
120K84.6Confident80.5Confident127 Ų12764.9 Ų64.955%0.55231%0.308SS*.Hα-helixtrans-72.3-32.9177.4-67-168.8177.9-178.50112.1L116 P117 E118 S124L116-K120 HydrophobicContact CD1-CB 3.82Å; L116-K120 HydrophobicContact CG-CB 4.15Å; P117-K120 HydrophobicContact CG-CD 4.44Å; P117-K120 PolarHBondContact O-N 3.37Å; E118-K120 VanDerWaalsContact C-N 3.34Å; E118-K120 PolarHBondContact O-N 3.09Å; K120-S124 WeakPolarHBondContact O-CB 3.27Å; K120-S124 PolarHBondContact O-N 3.14Å; K120-S124 PolarHBondContact O-OG 3.31Å
121F88.6Confident82.4Confident22 Ų2262.2 Ų62.210%0.09631%0.306CS..Hα-helixtrans-61-55172.1176.9-84.2000110.3W44 L78 F82 L116 P117 E118 H123 S124 A125W44-F121 AromaticContact CH2-CD1 3.41Å; W44-F121 HydrophobicContact CH2-CD1 3.41Å; W44-F121 VanDerWaalsContact CH2-CD1 3.41Å; W44-F121 AromaticContact CH2-CE1 3.31Å; W44-F121 HydrophobicContact CH2-CE1 3.31Å; W44-F121 AromaticContact CZ2-CD1 4Å; W44-F121 HydrophobicContact CZ2-CD1 4Å; W44-F121 HydrophobicContact CZ2-CE1 4.31Å; W44-F121 HydrophobicContact CZ3-CD1 4.31Å; W44-F121 AromaticContact CZ3-CE1 3.9Å; W44-F121 HydrophobicContact CZ3-CE1 3.9Å; L78-F121 HydrophobicContact CB-CD2 3.97Å; L78-F121 HydrophobicContact CB-CE2 3.68Å; F82-F121 HydrophobicContact CB-CD2 3.94Å; F82-F121 HydrophobicContact CB-CE2 4.36Å; F82-F121 HydrophobicContact CD2-CB 4.37Å; F82-F121 HydrophobicContact CD2-CD2 4.42Å; F82-F121 HydrophobicContact CD2-CG 4.45Å; F82-F121 HydrophobicContact CG-CD2 4.4Å; L116-F121 HydrophobicContact CD2-CB 3.84Å; L116-F121 HydrophobicContact CD2-CD2 4.09Å; L116-F121 HydrophobicContact CD2-CG 4.46Å; L116-F121 HydrophobicContact CG-CB 4.34Å; P117-F121 PolarHBondContact O-N 2.83Å; E118-F121 WeakPolarHBondContact O-CB 3.48Å; E118-F121 PolarHBondContact O-N 3.36Å; F121-H123 PolarHBondContact O-N 3.47Å; F121-S124 PolarHBondContact O-N 3.47Å; F121-A125 HydrophobicContact CE1-CB 4.45Å; F121-A125 WeakPolarHBondContact O-CB 3.39Å; F121-A125 PolarHBondContact O-N 3.4Å
122W92Very high84.4Confident22 Ų2257.7 Ų57.78%0.08328%0.277CS..Hα-helixtrans-56.2-51.5179.5166.678.9000111.1R43 W44 T47 E118 F119 S124 A125 T126R43-W122 HydrophobicContact CB-CD2 3.97Å; R43-W122 VanDerWaalsContact CB-CE2 3.43Å; R43-W122 HydrophobicContact CB-CG 4.28Å; R43-W122 HydrophobicContact CB-CH2 4.44Å; R43-W122 HydrophobicContact CB-CZ2 3.71Å; R43-W122 HydrophobicContact CG-CD2 4.17Å; R43-W122 HydrophobicContact CG-CE3 4.41Å; R43-W122 HydrophobicContact CG-CH2 3.8Å; R43-W122 HydrophobicContact CG-CZ2 3.52Å; R43-W122 HydrophobicContact CG-CZ3 4.23Å; R43-W122 PolarHBondContact O-NE1 3.27Å; W44-W122 HydrophobicContact CZ2-CB 4.42Å; T47-W122 VanDerWaalsContact OG1-CD1 3.28Å; T47-W122 PolarHBondContact OG1-NE1 2.89Å; E118-W122 WeakPolarHBondContact O-CB 3.43Å; E118-W122 PolarHBondContact O-N 2.91Å; F119-W122 HydrophobicContact CE2-CE3 4.36Å; F119-W122 HydrophobicContact CE2-CZ3 4.22Å; F119-W122 HydrophobicContact CZ-CZ3 4.39Å; W122-S124 PolarHBondContact O-N 3.24Å; W122-A125 PolarHBondContact O-N 3.5Å; W122-T126 PolarHBondContact NE1-OG1 3.16Å; W122-T126 PolarHBondContact O-N 3.31Å; W122-T126 PolarHBondContact O-OG1 2.95Å
123H90.4Very high86.4Confident43 Ų4356 Ų5620%0.19927%0.27CS..Hα-helixtrans-60.6-45.2-178.1-177.4-95.9000112.4Y29 L33 F119 F121 A125 T126 K127Y29-H123 AromaticContact CZ-NE2 3.69Å; Y29-H123 PolarHBondContact OH-CE1 3.37Å; Y29-H123 PolarHBondContact OH-NE2 3.44Å; L33-H123 VanDerWaalsContact CD2-CD2 3.48Å; L33-H123 WeakPolarHBondContact CD2-CD2 3.41Å; F119-H123 VanDerWaalsContact O-CB 3.29Å; F119-H123 WeakPolarHBondContact O-CB 3.42Å; F119-H123 PolarHBondContact O-N 3.5Å; F121-H123 PolarHBondContact O-N 3.47Å; H123-A125 PolarHBondContact O-N 2.85Å; H123-T126 PolarHBondContact O-N 3.23Å; H123-K127 VanDerWaalsContact O-CB 3.31Å; H123-K127 WeakPolarHBondContact O-CB 3.46Å; H123-K127 PolarHBondContact O-N 2.92Å
124S92Very high88.2Confident30 Ų3052.6 Ų52.621%0.2126%0.26CS..Hα-helixtrans-64.3-38.4177-63.30000112.6Y74 K120 F121 W122 G128Y74-S124 WeakPolarHBondContact CE1-O 3.26Å; Y74-S124 WeakPolarHBondContact OH-CB 3.42Å; Y74-S124 PolarHBondContact OH-O 3.42Å; K120-S124 WeakPolarHBondContact O-CB 3.27Å; K120-S124 PolarHBondContact O-N 3.14Å; K120-S124 PolarHBondContact O-OG 3.31Å; F121-S124 PolarHBondContact O-N 3.47Å; W122-S124 PolarHBondContact O-N 3.24Å; S124-G128 PolarHBondContact O-N 3.03Å
125A93.7Very high89.5Confident2 Ų249.8 Ų49.82%0.01725%0.253CS..Hα-helixtrans-66.8-50.2176.800000111.2L78 F121 W122 H123 K127 G128 I129L78-A125 HydrophobicContact CD1-CB 4.26Å; F121-A125 HydrophobicContact CE1-CB 4.45Å; F121-A125 WeakPolarHBondContact O-CB 3.39Å; F121-A125 PolarHBondContact O-N 3.4Å; W122-A125 PolarHBondContact O-N 3.5Å; H123-A125 PolarHBondContact O-N 2.85Å; A125-K127 VanDerWaalsContact C-N 3.34Å; A125-K127 PolarHBondContact O-N 3.3Å; A125-G128 PolarHBondContact O-N 2.95Å; A125-G128 VanDerWaalsContact O-N 3.1Å; A125-I129 WeakPolarHBondContact O-CG1 3.46Å; A125-I129 PolarHBondContact O-N 3.42Å
126T94.1Very high90.8Very high16 Ų1642 Ų4210%0.09822%0.224CC..Hα-helixtrans-58.6-45.4176.9-51.60000111.5T47 L50 W122 H123 G128 I129 L130T47-T126 PolarHBondContact OG1-OG1 3.47Å; L50-T126 HydrophobicContact CD1-CG2 4Å; W122-T126 PolarHBondContact NE1-OG1 3.16Å; W122-T126 PolarHBondContact O-N 3.31Å; W122-T126 PolarHBondContact O-OG1 2.95Å; H123-T126 PolarHBondContact O-N 3.23Å; T126-G128 VanDerWaalsContact C-N 3.31Å; T126-G128 PolarHBondContact O-N 2.87Å; T126-I129 PolarHBondContact O-N 2.89Å; T126-L130 HydrophobicContact CG2-CD1 4.41Å; T126-L130 WeakPolarHBondContact O-CG 3.33Å; T126-L130 PolarHBondContact O-N 3.34Å
127K93.9Very high91.7Very high123 Ų12347 Ų4754%0.53525%0.245SC..Hα-helixtrans-59-43.3175.4-178.4-177.2170.4-176.70111.5H123 A125 I129 L130 V131H123-K127 VanDerWaalsContact O-CB 3.31Å; H123-K127 WeakPolarHBondContact O-CB 3.46Å; H123-K127 PolarHBondContact O-N 2.92Å; A125-K127 VanDerWaalsContact C-N 3.34Å; A125-K127 PolarHBondContact O-N 3.3Å; K127-I129 PolarHBondContact O-N 3.36Å; K127-L130 PolarHBondContact O-N 3.32Å; K127-V131 HydrophobicContact CG-CG2 4.47Å; K127-V131 VanDerWaalsContact O-CG2 3.32Å; K127-V131 WeakPolarHBondContact O-CG2 3.45Å; K127-V131 PolarHBondContact O-N 3.31Å
128G95.9Very high92.3Very high10 Ų1049.7 Ų49.710%0.10325%0.25CC..Hα-helixtrans-58.5-46176.400000112.4L71 S124 A125 T126 V131 A132L71-G128 VanDerWaalsContact CD1-C 3.44Å; L71-G128 WeakPolarHBondContact CD1-O 3.49Å; S124-G128 PolarHBondContact O-N 3.03Å; A125-G128 PolarHBondContact O-N 2.95Å; A125-G128 VanDerWaalsContact O-N 3.1Å; T126-G128 VanDerWaalsContact C-N 3.31Å; T126-G128 PolarHBondContact O-N 2.87Å; G128-V131 PolarHBondContact O-N 3.06Å; G128-A132 WeakPolarHBondContact O-CB 3.37Å; G128-A132 PolarHBondContact O-N 3.47Å
129I96.1Very high92.6Very high4 Ų454.4 Ų54.42%0.02127%0.272CS..Hα-helixtrans-62.7-43.9177.6-64.3162.4000111T47 L50 L71 A125 T126 K127 V131 A132 M133T47-I129 HydrophobicContact CG2-CD1 3.79Å; L50-I129 HydrophobicContact CB-CG2 4.1Å; L71-I129 HydrophobicContact CD2-CG1 4.47Å; A125-I129 WeakPolarHBondContact O-CG1 3.46Å; A125-I129 PolarHBondContact O-N 3.42Å; T126-I129 PolarHBondContact O-N 2.89Å; K127-I129 PolarHBondContact O-N 3.36Å; I129-V131 PolarHBondContact O-N 3.5Å; I129-A132 PolarHBondContact O-N 2.91Å; I129-M133 VanDerWaalsContact O-CB 3.29Å; I129-M133 WeakPolarHBondContact O-CB 3.46Å; I129-M133 PolarHBondContact O-N 3.18Å
130L96Very high92.9Very high94 Ų9456.6 Ų56.649%0.49230%0.298SS..Hα-helixtrans-63.6-41178.1-69.8175.8000112.2L50 T126 K127 M133 A134L50-L130 HydrophobicContact CD1-CD2 4.25Å; L50-L130 HydrophobicContact CD2-CD2 4.48Å; T126-L130 HydrophobicContact CG2-CD1 4.41Å; T126-L130 WeakPolarHBondContact O-CG 3.33Å; T126-L130 PolarHBondContact O-N 3.34Å; K127-L130 PolarHBondContact O-N 3.32Å; L130-M133 PolarHBondContact O-N 3.19Å; L130-A134 WeakPolarHBondContact O-CB 3.43Å; L130-A134 PolarHBondContact O-N 3.41Å
131V95.9Very high93.1Very high77 Ų7755.1 Ų55.147%0.46729%0.292SS..Hα-helixtrans-65.6-46.2175.5171.80000110.6K127 G128 I129 M133 A134 C135K127-V131 HydrophobicContact CG-CG2 4.47Å; K127-V131 VanDerWaalsContact O-CG2 3.32Å; K127-V131 WeakPolarHBondContact O-CG2 3.45Å; K127-V131 PolarHBondContact O-N 3.31Å; G128-V131 PolarHBondContact O-N 3.06Å; I129-V131 PolarHBondContact O-N 3.5Å; V131-M133 VanDerWaalsContact C-N 3.31Å; V131-M133 PolarHBondContact O-N 2.94Å; V131-A134 WeakPolarHBondContact O-CB 3.46Å; V131-A134 PolarHBondContact O-N 3.49Å; V131-A134 VanDerWaalsContact O-N 3.16Å; V131-C135 PolarHBondContact O-N 3.2Å; V131-C135 PolarHBondContact O-SG 3.03Å
132A95.4Very high93.2Very high5 Ų557 Ų574%0.04130%0.303CS..Hα-helixtrans-60.3-43.5176.400000111.4Y54 V67 L71 G128 I129 A134 C135 T136Y54-A132 HydrophobicContact CD2-CB 4.44Å; Y54-A132 HydrophobicContact CE2-CB 3.75Å; V67-A132 HydrophobicContact CG1-CB 3.89Å; L71-A132 HydrophobicContact CB-CB 4.27Å; L71-A132 HydrophobicContact CD1-CB 3.9Å; L71-A132 HydrophobicContact CD2-CB 3.78Å; L71-A132 HydrophobicContact CG-CB 4.19Å; G128-A132 WeakPolarHBondContact O-CB 3.37Å; G128-A132 PolarHBondContact O-N 3.47Å; I129-A132 PolarHBondContact O-N 2.91Å; A132-A134 VanDerWaalsContact C-N 3.34Å; A132-A134 PolarHBondContact O-N 2.97Å; A132-C135 WeakPolarHBondContact O-CB 2.96Å; A132-C135 PolarHBondContact O-N 3.01Å; A132-C135 VanDerWaalsContact O-N 3.16Å; A132-T136 WeakPolarHBondContact O-CG2 3.3Å; A132-T136 PolarHBondContact O-N 3.24Å
133M94.9Very high93Very high30 Ų3059.3 Ų59.315%0.14832%0.319CS..Hα-helixtrans-57-47.5173.4-173.268.478.900111.1I53 Y54 R57 I129 L130 V131 C135 T136 F137I53-M133 HydrophobicContact CG2-CE 3.98Å; Y54-M133 HydrophobicContact CD2-CB 4.4Å; Y54-M133 HydrophobicContact CD2-CE 4.18Å; Y54-M133 HydrophobicContact CD2-SD 4.28Å; Y54-M133 HydrophobicContact CG-CE 4.47Å; R57-M133 VanDerWaalsContact CD-SD 3.57Å; I129-M133 VanDerWaalsContact O-CB 3.29Å; I129-M133 WeakPolarHBondContact O-CB 3.46Å; I129-M133 PolarHBondContact O-N 3.18Å; L130-M133 PolarHBondContact O-N 3.19Å; V131-M133 VanDerWaalsContact C-N 3.31Å; V131-M133 PolarHBondContact O-N 2.94Å; M133-C135 VanDerWaalsContact C-N 3.33Å; M133-C135 PolarHBondContact O-N 2.99Å; M133-T136 PolarHBondContact O-N 2.79Å; M133-T136 VanDerWaalsContact O-N 3.12Å; M133-T136 PolarHBondContact O-OG1 3.36Å; M133-F137 HydrophobicContact CG-CE2 4.24Å; M133-F137 VanDerWaalsContact O-CD2 3.22Å; M133-F137 WeakPolarHBondContact O-CD2 3.46Å; M133-F137 WeakPolarHBondContact O-CE2 3.48Å
134A95.1Very high92.9Very high45 Ų4563.1 Ų63.137%0.37235%0.347SS..Hα-helixtrans-58.4-43.6175.200000112L130 V131 A132 T136 F137 F138L130-A134 WeakPolarHBondContact O-CB 3.43Å; L130-A134 PolarHBondContact O-N 3.41Å; V131-A134 WeakPolarHBondContact O-CB 3.46Å; V131-A134 PolarHBondContact O-N 3.49Å; V131-A134 VanDerWaalsContact O-N 3.16Å; A132-A134 VanDerWaalsContact C-N 3.34Å; A132-A134 PolarHBondContact O-N 2.97Å; A134-T136 PolarHBondContact O-N 2.92Å; A134-F137 PolarHBondContact O-N 3.4Å; A134-F137 VanDerWaalsContact O-N 3.09Å; A134-F138 VanDerWaalsContact O-CD2 3.29Å; A134-F138 WeakPolarHBondContact O-CD2 3.4Å; A134-F138 WeakPolarHBondContact O-CE2 3.28Å
135C94.2Very high92.7Very high28 Ų2864 Ų6419%0.18935%0.352CS..Hα-helixtrans-61.3-30.4176.7-67.30000112.9V67 V131 A132 M133 F137 F138 F141V67-C135 HydrophobicContact CG1-CB 3.89Å; V67-C135 HydrophobicContact CG2-CB 4.21Å; V131-C135 PolarHBondContact O-N 3.2Å; V131-C135 PolarHBondContact O-SG 3.03Å; A132-C135 WeakPolarHBondContact O-CB 2.96Å; A132-C135 PolarHBondContact O-N 3.01Å; A132-C135 VanDerWaalsContact O-N 3.16Å; M133-C135 VanDerWaalsContact C-N 3.33Å; M133-C135 PolarHBondContact O-N 2.99Å; C135-F137 PolarHBondContact O-N 2.9Å; C135-F138 PolarHBondContact O-N 2.82Å; C135-F138 VanDerWaalsContact O-N 3.15Å; C135-F141 HydrophobicContact CB-CD2 3.97Å; C135-F141 HydrophobicContact CB-CE2 4.35Å; C135-F141 HydrophobicContact CB-CG 4.47Å
136T92.7Very high92.5Very high2 Ų272.1 Ų72.11%0.01239%0.387CS..THydrogen-bonded Turntrans-71.6-2.9176.167.90000114.8Y54 R57 W64 A132 M133 A134Y54-T136 HydrophobicContact CE2-CG2 3.74Å; R57-T136 PolarHBondContact NE-OG1 3.49Å; R57-T136 PolarHBondContact NH2-O 3.15Å; W64-T136 HydrophobicContact CB-CG2 4.02Å; W64-T136 HydrophobicContact CG-CG2 4.04Å; A132-T136 WeakPolarHBondContact O-CG2 3.3Å; A132-T136 PolarHBondContact O-N 3.24Å; M133-T136 PolarHBondContact O-N 2.79Å; M133-T136 VanDerWaalsContact O-N 3.12Å; M133-T136 PolarHBondContact O-OG1 3.36Å; A134-T136 PolarHBondContact O-N 2.92Å
137F91.9Very high92.3Very high134 Ų13477 Ų7759%0.58840%0.404SS*.THydrogen-bonded Turntrans-89.5-14170.1-66.8-80.3000112.8M133 A134 C135M133-F137 HydrophobicContact CG-CE2 4.24Å; M133-F137 VanDerWaalsContact O-CD2 3.22Å; M133-F137 WeakPolarHBondContact O-CD2 3.46Å; M133-F137 WeakPolarHBondContact O-CE2 3.48Å; A134-F137 PolarHBondContact O-N 3.4Å; A134-F137 VanDerWaalsContact O-N 3.09Å; C135-F137 PolarHBondContact O-N 2.9Å
138F93.3Very high92.3Very high124 Ų12474 Ų7454%0.54440%0.396SS..  trans-104.8124.8-179.8-56.4-83.1000110.1W64 A134 C135 A140 F141W64-F138 PolarHBondContact NE1-O 3.34Å; A134-F138 VanDerWaalsContact O-CD2 3.29Å; A134-F138 WeakPolarHBondContact O-CD2 3.4Å; A134-F138 WeakPolarHBondContact O-CE2 3.28Å; C135-F138 PolarHBondContact O-N 2.82Å; C135-F138 VanDerWaalsContact O-N 3.15Å; F138-A140 PolarHBondContact O-N 2.78Å; F138-F141 HydrophobicContact CB-CD2 3.85Å; F138-F141 HydrophobicContact CB-CE2 4.02Å; F138-F141 HydrophobicContact CD2-CE2 4.28Å; F138-F141 HydrophobicContact CG-CE2 4.4Å; F138-F141 PolarHBondContact O-N 3.49Å
139E89.1Confident92.1Very high162 Ų16277.6 Ų77.676%0.75741%0.412SS*.G310 helixtrans-67.4-22.2177.5-66.5-174.9168.900112.8F141 N142E139-F141 PolarHBondContact O-N 3.42Å; E139-F141 VanDerWaalsContact O-N 3.07Å; E139-N142 WeakPolarHBondContact O-CB 3.27Å; E139-N142 PolarHBondContact O-N 3.37Å
140A90.7Very high91.9Very high88 Ų8879 Ų7973%0.72742%0.42SS*.G310 helixtrans-56.2-27.3177.600000113.7F138F138-A140 PolarHBondContact O-N 2.78Å
141F88.8Confident91.7Very high97 Ų9777.8 Ų77.843%0.42542%0.416SS..G310 helixtrans-93.40.5177.2-55.7-68.8000113.6V67 C135 F138 E139 V143V67-F141 HydrophobicContact CG2-CB 3.66Å; V67-F141 HydrophobicContact CG2-CG 4.44Å; C135-F141 HydrophobicContact CB-CD2 3.97Å; C135-F141 HydrophobicContact CB-CE2 4.35Å; C135-F141 HydrophobicContact CB-CG 4.47Å; F138-F141 HydrophobicContact CB-CD2 3.85Å; F138-F141 HydrophobicContact CB-CE2 4.02Å; F138-F141 HydrophobicContact CD2-CE2 4.28Å; F138-F141 HydrophobicContact CG-CE2 4.4Å; F138-F141 PolarHBondContact O-N 3.49Å; E139-F141 PolarHBondContact O-N 3.42Å; E139-F141 VanDerWaalsContact O-N 3.07Å; F141-V143 PolarHBondContact O-N 3.46Å
142N90.4Very high91.6Very high62 Ų6280.4 Ų80.433%0.33243%0.425SS..  trans-94.777.5-179.8-165.816.9000110.9W64 E139W64-N142 HydrophobicContact CD2-CB 4.03Å; W64-N142 HydrophobicContact CG-CB 4.28Å; W64-N142 HydrophobicContact CZ2-CB 4.01Å; W64-N142 PolarHBondContact N-OD1 2.85Å; E139-N142 WeakPolarHBondContact O-CB 3.27Å; E139-N142 PolarHBondContact O-N 3.37Å
143V87.9Confident91.4Very high69 Ų6985.9 Ų85.942%0.41845%0.445SS..  trans-93.2129.3177.5-176.40000109.6I66 F141 V145I66-V143 HydrophobicContact CD1-CB 3.71Å; I66-V143 HydrophobicContact CD1-CG1 4.33Å; I66-V143 HydrophobicContact CD1-CG2 4.14Å; F141-V143 PolarHBondContact O-N 3.46Å; V143-V145 HydrophobicContact CG1-CG1 4.24Å; V143-V145 PolarHBondContact O-N 3.21Å; V143-V145 VanDerWaalsContact O-N 3.16Å
144P88.3Confident91.4Very high123 Ų12387.1 Ų87.180%0.79945%0.45SS*.  trans-66.3115.1176.227.3-33.4000109.8
145V89.3Confident91.3Very high50 Ų5089.1 Ų89.130%0.30345%0.453SS..  trans-135.3152.6179.4-66.40000109.6Y65 I66 V143 W147 L150Y65-V145 HydrophobicContact CD2-CG2 4.38Å; I66-V145 HydrophobicContact CD1-CG1 3.91Å; I66-V145 HydrophobicContact CG1-CG1 4.14Å; I66-V145 HydrophobicContact CG1-CG2 4.09Å; V143-V145 HydrophobicContact CG1-CG1 4.24Å; V143-V145 PolarHBondContact O-N 3.21Å; V143-V145 VanDerWaalsContact O-N 3.16Å; V145-W147 VanDerWaalsContact C-N 3.28Å; V145-W147 PolarHBondContact O-N 3.42Å; V145-L150 HydrophobicContact CB-CD1 4.48Å; V145-L150 HydrophobicContact CG2-CD1 3.68Å
146F89.1Confident91.3Very high171 Ų17192.7 Ų92.775%0.7547%0.468SS*.  trans-67.388.7169.7-99.4-94000109.7P148 I149F146-P148 VanDerWaalsContact C-N 3.31Å; F146-I149 HydrophobicContact CB-CG2 3.9Å; F146-I149 WeakPolarHBondContact O-CG2 3.13Å; F146-I149 PolarHBondContact O-N 2.84Å
147W89.8Confident91.3Very high120 Ų12095.8 Ų95.846%0.45549%0.485SS..Hα-helixtrans-58.7-30.5-179.172.5-93.1000114.9Y65 V145 I149 L150 V151Y65-W147 HydrophobicContact CD1-CB 3.45Å; Y65-W147 VanDerWaalsContact CD1-CB 3.45Å; Y65-W147 AromaticContact CD1-CG 3.97Å; Y65-W147 HydrophobicContact CD1-CG 3.97Å; Y65-W147 HydrophobicContact CD2-CB 3.79Å; Y65-W147 HydrophobicContact CD2-CG 4.4Å; Y65-W147 HydrophobicContact CE1-CB 3.77Å; Y65-W147 HydrophobicContact CE1-CD2 4.24Å; Y65-W147 AromaticContact CE1-CG 3.74Å; Y65-W147 HydrophobicContact CE1-CG 3.74Å; Y65-W147 HydrophobicContact CE2-CB 4.09Å; Y65-W147 AromaticContact CE2-CD1 3.95Å; Y65-W147 HydrophobicContact CE2-CG 4.21Å; Y65-W147 HydrophobicContact CG-CB 3.45Å; Y65-W147 VanDerWaalsContact CG-CB 3.45Å; Y65-W147 HydrophobicContact CG-CG 4.28Å; Y65-W147 AromaticContact CZ-CD1 3.7Å; Y65-W147 AromaticContact CZ-CG 3.87Å; V145-W147 VanDerWaalsContact C-N 3.28Å; V145-W147 PolarHBondContact O-N 3.42Å; W147-I149 VanDerWaalsContact C-N 3.27Å; W147-I149 PolarHBondContact O-N 3.3Å; W147-L150 WeakPolarHBondContact O-CB 3.2Å; W147-L150 PolarHBondContact O-N 2.95Å; W147-L150 VanDerWaalsContact O-N 3.14Å; W147-V151 HydrophobicContact CE3-CG2 3.89Å; W147-V151 HydrophobicContact CZ3-CG2 4.16Å; W147-V151 PolarHBondContact O-N 3.35Å; W147-V151 VanDerWaalsContact O-N 3.09Å
148P92.6Very high91.3Very high59 Ų5993.1 Ų93.138%0.38347%0.473SS..Hα-helixtrans-62.7-35.1177.4-23.536.2000112.4F146 L150 V151 M152F146-P148 VanDerWaalsContact C-N 3.31Å; P148-L150 VanDerWaalsContact C-N 3.33Å; P148-L150 PolarHBondContact O-N 3.43Å; P148-V151 PolarHBondContact O-N 3.15Å; P148-M152 WeakPolarHBondContact O-CG 3.25Å; P148-M152 PolarHBondContact O-N 3.28Å
149I92.9Very high91.3Very high85 Ų8590.6 Ų90.644%0.43647%0.47SS..Hα-helixtrans-68-37.2178-165.865.5000110.8F146 W147 V151 M152 Y153F146-I149 HydrophobicContact CB-CG2 3.9Å; F146-I149 WeakPolarHBondContact O-CG2 3.13Å; F146-I149 PolarHBondContact O-N 2.84Å; W147-I149 VanDerWaalsContact C-N 3.27Å; W147-I149 PolarHBondContact O-N 3.3Å; I149-V151 VanDerWaalsContact C-N 3.34Å; I149-V151 PolarHBondContact O-N 2.92Å; I149-M152 PolarHBondContact O-N 3.23Å; I149-Y153 HydrophobicContact CD1-CD2 4.37Å; I149-Y153 HydrophobicContact CD1-CE2 3.98Å; I149-Y153 HydrophobicContact CG1-CD2 3.74Å; I149-Y153 HydrophobicContact CG1-CE2 3.39Å; I149-Y153 WeakPolarHBondContact O-CD2 3.37Å; I149-Y153 PolarHBondContact O-N 3Å
150L91.4Very high91.4Very high35 Ų3587.8 Ų87.818%0.18346%0.459CS..Hα-helixtrans-63.6-40.5176-65.9178.3000111.9Y69 V145 W147 P148 Y153 F154Y69-L150 HydrophobicContact CD1-CD2 4.44Å; Y69-L150 HydrophobicContact CD2-CB 4.09Å; Y69-L150 HydrophobicContact CD2-CD2 4.43Å; Y69-L150 HydrophobicContact CE1-CD2 4.49Å; Y69-L150 HydrophobicContact CE2-CD2 4.5Å; Y69-L150 HydrophobicContact CG-CD2 4.39Å; V145-L150 HydrophobicContact CB-CD1 4.48Å; V145-L150 HydrophobicContact CG2-CD1 3.68Å; W147-L150 WeakPolarHBondContact O-CB 3.2Å; W147-L150 PolarHBondContact O-N 2.95Å; W147-L150 VanDerWaalsContact O-N 3.14Å; P148-L150 VanDerWaalsContact C-N 3.33Å; P148-L150 PolarHBondContact O-N 3.43Å; L150-Y153 PolarHBondContact O-N 3.02Å; L150-F154 WeakPolarHBondContact O-CB 3.43Å; L150-F154 PolarHBondContact O-N 3.02Å
151V91.1Very high91.4Very high67 Ų6784.9 Ų84.941%0.40643%0.432SS..Hα-helixtrans-63.8-45.3175.8175.10000110.6W147 P148 I149 Y153 F154 I155W147-V151 HydrophobicContact CE3-CG2 3.89Å; W147-V151 HydrophobicContact CZ3-CG2 4.16Å; W147-V151 PolarHBondContact O-N 3.35Å; W147-V151 VanDerWaalsContact O-N 3.09Å; P148-V151 PolarHBondContact O-N 3.15Å; I149-V151 VanDerWaalsContact C-N 3.34Å; I149-V151 PolarHBondContact O-N 2.92Å; V151-Y153 PolarHBondContact O-N 3.22Å; V151-F154 PolarHBondContact O-N 2.63Å; V151-I155 HydrophobicContact CG1-CD1 3.81Å; V151-I155 HydrophobicContact CG1-CG1 4.4Å; V151-I155 WeakPolarHBondContact O-CG1 3.35Å; V151-I155 PolarHBondContact O-N 2.88Å
152M93.8Very high91.3Very high132 Ų13281.5 Ų81.565%0.6542%0.418SS*.Hα-helixtrans-60-45.6176-73.6-63.8-147.300112.1P148 I149 F154 I155 M156P148-M152 WeakPolarHBondContact O-CG 3.25Å; P148-M152 PolarHBondContact O-N 3.28Å; I149-M152 PolarHBondContact O-N 3.23Å; M152-F154 VanDerWaalsContact C-N 3.33Å; M152-F154 PolarHBondContact O-N 2.87Å; M152-I155 PolarHBondContact O-N 3.45Å; M152-M156 WeakPolarHBondContact O-CB 3.13Å; M152-M156 PolarHBondContact O-N 2.89Å
153Y93Very high91.2Very high120 Ų12086.3 Ų86.347%0.47144%0.436SS..Hα-helixtrans-59.7-43.8174.4-82.7-61.9000111.9I149 L150 V151 M156 L157I149-Y153 HydrophobicContact CD1-CD2 4.37Å; I149-Y153 HydrophobicContact CD1-CE2 3.98Å; I149-Y153 HydrophobicContact CG1-CD2 3.74Å; I149-Y153 HydrophobicContact CG1-CE2 3.39Å; I149-Y153 WeakPolarHBondContact O-CD2 3.37Å; I149-Y153 PolarHBondContact O-N 3Å; L150-Y153 PolarHBondContact O-N 3.02Å; V151-Y153 PolarHBondContact O-N 3.22Å; Y153-M156 HydrophobicContact CD1-CE 3.84Å; Y153-M156 HydrophobicContact CE1-CE 4.19Å; Y153-M156 PolarHBondContact O-N 3.48Å; Y153-L157 WeakPolarHBondContact O-CB 3.48Å; Y153-L157 PolarHBondContact O-N 3.44Å
154F93.6Very high91.1Very high57 Ų5792.2 Ų92.225%0.2545%0.451CS..Hα-helixtrans-62-46.2178.3-179.1-100.6000111.6Y69 G72 I73 L76 L150 V151 M152 L157 F158Y69-F154 HydrophobicContact CD2-CB 4.33Å; Y69-F154 HydrophobicContact CE2-CB 4.07Å; G72-F154 VanDerWaalsContact C-CE2 3.42Å; G72-F154 WeakPolarHBondContact O-CE2 3.29Å; I73-F154 HydrophobicContact CG1-CD2 4.43Å; L76-F154 HydrophobicContact CB-CE2 4.49Å; L150-F154 WeakPolarHBondContact O-CB 3.43Å; L150-F154 PolarHBondContact O-N 3.02Å; V151-F154 PolarHBondContact O-N 2.63Å; M152-F154 VanDerWaalsContact C-N 3.33Å; M152-F154 PolarHBondContact O-N 2.87Å; F154-L157 PolarHBondContact O-N 3.48Å; F154-F158 HydrophobicContact CZ-CD2 4.39Å; F154-F158 WeakPolarHBondContact O-CB 3.29Å; F154-F158 PolarHBondContact O-N 2.87Å
155I94Very high90.9Very high86 Ų8687.8 Ų87.844%0.44142%0.419SS..Hα-helixtrans-61.8-47.4178.2-67.8168000110.5V151 M152 F158 C159V151-I155 HydrophobicContact CG1-CD1 3.81Å; V151-I155 HydrophobicContact CG1-CG1 4.4Å; V151-I155 WeakPolarHBondContact O-CG1 3.35Å; V151-I155 PolarHBondContact O-N 2.88Å; M152-I155 PolarHBondContact O-N 3.45Å; I155-F158 PolarHBondContact O-N 2.95Å; I155-C159 WeakPolarHBondContact O-CB 3.2Å; I155-C159 PolarHBondContact O-N 3.13Å; I155-C159 PolarHBondContact O-SG 3.21Å
156M94.3Very high90.7Very high103 Ų10389.3 Ų89.351%0.50743%0.425SS..Hα-helixtrans-60.4-49.3178.2-177.9-18064.800111.4M152 Y153 F158 C159 I160M152-M156 WeakPolarHBondContact O-CB 3.13Å; M152-M156 PolarHBondContact O-N 2.89Å; Y153-M156 HydrophobicContact CD1-CE 3.84Å; Y153-M156 HydrophobicContact CE1-CE 4.19Å; Y153-M156 PolarHBondContact O-N 3.48Å; M156-F158 PolarHBondContact O-N 3.49Å; M156-C159 PolarHBondContact O-N 2.69Å; M156-I160 HydrophobicContact CG-CD1 3.73Å; M156-I160 HydrophobicContact CG-CG1 4.48Å; M156-I160 WeakPolarHBondContact O-CB 3.28Å; M156-I160 VanDerWaalsContact O-CG1 3.28Å; M156-I160 WeakPolarHBondContact O-CG1 3.16Å; M156-I160 PolarHBondContact O-N 3.24Å
157L92.1Very high90.5Very high67 Ų6788.8 Ų88.835%0.35142%0.422SS..Hα-helixtrans-59.7-46.7177.4-179.369.6000111.1I73 L76 Y153 F154 I160 T161I73-L157 HydrophobicContact CG1-CD2 4.27Å; L76-L157 HydrophobicContact CD2-CD2 4.3Å; L76-L157 HydrophobicContact CD2-CG 4.24Å; Y153-L157 WeakPolarHBondContact O-CB 3.48Å; Y153-L157 PolarHBondContact O-N 3.44Å; F154-L157 PolarHBondContact O-N 3.48Å; L157-I160 PolarHBondContact O-N 3.35Å; L157-T161 WeakPolarHBondContact O-CB 3.31Å; L157-T161 PolarHBondContact O-N 3.33Å; L157-T161 PolarHBondContact O-OG1 3.04Å
158F91.9Very high90.1Very high79 Ų7985.4 Ų85.435%0.34641%0.412SS..Hα-helixtrans-57.2-52.6178179.4-90.6000110.8L76 F154 I155 M156 T161 M162L76-F158 HydrophobicContact CD1-CD2 3.6Å; L76-F158 HydrophobicContact CD1-CE2 3.98Å; L76-F158 HydrophobicContact CD2-CB 4.39Å; L76-F158 HydrophobicContact CD2-CD2 4.38Å; L76-F158 HydrophobicContact CG-CD2 4.47Å; F154-F158 HydrophobicContact CZ-CD2 4.39Å; F154-F158 WeakPolarHBondContact O-CB 3.29Å; F154-F158 PolarHBondContact O-N 2.87Å; I155-F158 PolarHBondContact O-N 2.95Å; M156-F158 PolarHBondContact O-N 3.49Å; F158-T161 PolarHBondContact O-N 2.93Å; F158-M162 HydrophobicContact CD1-CG 4.17Å; F158-M162 HydrophobicContact CD2-CG 4.36Å; F158-M162 HydrophobicContact CE1-CG 3.84Å; F158-M162 HydrophobicContact CE2-CG 4.03Å; F158-M162 HydrophobicContact CG-CG 4.41Å; F158-M162 HydrophobicContact CZ-CG 3.75Å; F158-M162 VanDerWaalsContact O-CB 3.25Å; F158-M162 WeakPolarHBondContact O-CB 3.43Å; F158-M162 VanDerWaalsContact O-CG 3.27Å; F158-M162 WeakPolarHBondContact O-CG 3.17Å; F158-M162 PolarHBondContact O-N 2.78Å
159C92.9Very high89.4Confident70 Ų7083.8 Ų83.847%0.47340%0.399SS..Hα-helixtrans-62.3-47.1-179.3-72.60000112.4I155 M156 T161 K163I155-C159 WeakPolarHBondContact O-CB 3.2Å; I155-C159 PolarHBondContact O-N 3.13Å; I155-C159 PolarHBondContact O-SG 3.21Å; M156-C159 PolarHBondContact O-N 2.69Å; C159-T161 VanDerWaalsContact C-N 3.33Å; C159-T161 PolarHBondContact O-N 3.01Å; C159-K163 WeakPolarHBondContact O-CB 3.46Å; C159-K163 PolarHBondContact O-N 3.38Å
160I92.1Very high88.7Confident104 Ų10485.4 Ų85.453%0.53341%0.408SS..Hα-helixtrans-61.1-46177.8-70171.6000110.3M156 L157 K163 R164M156-I160 HydrophobicContact CG-CD1 3.73Å; M156-I160 HydrophobicContact CG-CG1 4.48Å; M156-I160 WeakPolarHBondContact O-CB 3.28Å; M156-I160 VanDerWaalsContact O-CG1 3.28Å; M156-I160 WeakPolarHBondContact O-CG1 3.16Å; M156-I160 PolarHBondContact O-N 3.24Å; L157-I160 PolarHBondContact O-N 3.35Å; I160-K163 PolarHBondContact O-N 3.44Å; I160-R164 WeakPolarHBondContact O-CB 3.26Å; I160-R164 PolarHBondContact O-N 2.8Å
161T89.7Confident88.1Confident26 Ų2690.3 Ų90.316%0.1643%0.427CS..Hα-helixtrans-67.2-46.5-176.8-52.90000110.9I80 L157 F158 C159 K163 R164 Q165I80-T161 HydrophobicContact CD1-CG2 3.22Å; I80-T161 HydrophobicContact CG1-CG2 3.89Å; L157-T161 WeakPolarHBondContact O-CB 3.31Å; L157-T161 PolarHBondContact O-N 3.33Å; L157-T161 PolarHBondContact O-OG1 3.04Å; F158-T161 PolarHBondContact O-N 2.93Å; C159-T161 VanDerWaalsContact C-N 3.33Å; C159-T161 PolarHBondContact O-N 3.01Å; T161-K163 PolarHBondContact O-N 2.79Å; T161-R164 PolarHBondContact O-N 3.23Å; T161-Q165 VanDerWaalsContact O-CG 3.31Å; T161-Q165 WeakPolarHBondContact O-CG 3.18Å; T161-Q165 PolarHBondContact O-N 2.94Å
162M87.8Confident87Confident27 Ų2789.2 Ų89.213%0.13342%0.416CS..Hα-helixtrans-61.9-43.1176.2-75-53.6-54.600112.4F79 L83 F158 R164 Q165 I166F79-M162 HydrophobicContact CD1-CE 4.22Å; F79-M162 HydrophobicContact CD1-SD 3.61Å; F79-M162 HydrophobicContact CE1-CE 3.54Å; F79-M162 HydrophobicContact CE1-SD 3.54Å; F79-M162 VanDerWaalsContact CE1-SD 3.54Å; L83-M162 HydrophobicContact CD1-CE 3.87Å; L83-M162 HydrophobicContact CD1-SD 4.4Å; F158-M162 HydrophobicContact CD1-CG 4.17Å; F158-M162 HydrophobicContact CD2-CG 4.36Å; F158-M162 HydrophobicContact CE1-CG 3.84Å; F158-M162 HydrophobicContact CE2-CG 4.03Å; F158-M162 HydrophobicContact CG-CG 4.41Å; F158-M162 HydrophobicContact CZ-CG 3.75Å; F158-M162 VanDerWaalsContact O-CB 3.25Å; F158-M162 WeakPolarHBondContact O-CB 3.43Å; F158-M162 VanDerWaalsContact O-CG 3.27Å; F158-M162 WeakPolarHBondContact O-CG 3.17Å; F158-M162 PolarHBondContact O-N 2.78Å; M162-R164 VanDerWaalsContact C-N 3.33Å; M162-R164 PolarHBondContact O-N 3.03Å; M162-Q165 PolarHBondContact O-N 3.24Å; M162-I166 HydrophobicContact CE-CD1 4.35Å; M162-I166 WeakPolarHBondContact O-CB 3.28Å; M162-I166 VanDerWaalsContact O-CG1 3.26Å; M162-I166 WeakPolarHBondContact O-CG1 3.43Å; M162-I166 PolarHBondContact O-N 3.24Å
163K87.8Confident85.7Confident162 Ų16291.8 Ų91.870%0.70442%0.419SS*.Hα-helixtrans-59.4-44.2174.7-177.5179-179.8179.10111.4C159 I160 T161 K167C159-K163 WeakPolarHBondContact O-CB 3.46Å; C159-K163 PolarHBondContact O-N 3.38Å; I160-K163 PolarHBondContact O-N 3.44Å; T161-K163 PolarHBondContact O-N 2.79Å; K163-K167 WeakPolarHBondContact O-CB 3.31Å; K163-K167 PolarHBondContact O-N 3.18Å
164R85.5Confident84.4Confident194 Ų19486.3 Ų86.373%0.73240%0.397SS*.Hα-helixtrans-63.1-45.3176.6-176177.6178.2176.90.1111.4I160 T161 M162 K167 H168I160-R164 WeakPolarHBondContact O-CB 3.26Å; I160-R164 PolarHBondContact O-N 2.8Å; T161-R164 PolarHBondContact O-N 3.23Å; M162-R164 VanDerWaalsContact C-N 3.33Å; M162-R164 PolarHBondContact O-N 3.03Å; R164-K167 PolarHBondContact O-N 2.91Å; R164-H168 PolarHBondContact O-N 3.38Å
165Q84.6Confident82.9Confident29 Ų2989 Ų8914%0.13641%0.413CS..Hα-helixtrans-61.9-48177.9-68.2-52.2-41.100111.5I80 T161 M162 K167 H168 M169I80-Q165 HydrophobicContact CG1-CG 4.16Å; I80-Q165 HydrophobicContact CG2-CG 4.13Å; T161-Q165 VanDerWaalsContact O-CG 3.31Å; T161-Q165 WeakPolarHBondContact O-CG 3.18Å; T161-Q165 PolarHBondContact O-N 2.94Å; M162-Q165 PolarHBondContact O-N 3.24Å; Q165-K167 PolarHBondContact O-N 2.94Å; Q165-H168 WeakPolarHBondContact O-CB 3.46Å; Q165-H168 PolarHBondContact O-N 3.04Å; Q165-M169 WeakPolarHBondContact O-CG 3.43Å; Q165-M169 PolarHBondContact O-N 2.78Å
166I84.9Confident81Confident83 Ų8386 Ų8643%0.42640%0.399SS..Hα-helixtrans-61.9-42.5178.1-66.7165.5000111.1M162 H168 M169 I170M162-I166 HydrophobicContact CE-CD1 4.35Å; M162-I166 WeakPolarHBondContact O-CB 3.28Å; M162-I166 VanDerWaalsContact O-CG1 3.26Å; M162-I166 WeakPolarHBondContact O-CG1 3.43Å; M162-I166 PolarHBondContact O-N 3.24Å; I166-H168 VanDerWaalsContact C-N 3.3Å; I166-H168 PolarHBondContact O-N 3.42Å; I166-M169 WeakPolarHBondContact O-CB 3.18Å; I166-M169 PolarHBondContact O-N 3.44Å; I166-I170 HydrophobicContact CG2-CD1 3.72Å; I166-I170 HydrophobicContact CG2-CG1 4.34Å; I166-I170 VanDerWaalsContact O-CG1 3.29Å; I166-I170 WeakPolarHBondContact O-CG1 3.44Å; I166-I170 PolarHBondContact O-N 3.39Å
167K83.9Confident79.2Confident159 Ų15987.3 Ų87.369%0.69140%0.402SS*.Hα-helixtrans-60.1-40.7176.6-169.5178.7-168.9-178.60111.9K163 R164 Q165 I170 K171K163-K167 WeakPolarHBondContact O-CB 3.31Å; K163-K167 PolarHBondContact O-N 3.18Å; R164-K167 PolarHBondContact O-N 2.91Å; Q165-K167 PolarHBondContact O-N 2.94Å; K167-I170 PolarHBondContact O-N 3.48Å; K167-K171 WeakPolarHBondContact O-CB 3.43Å; K167-K171 PolarHBondContact O-N 2.76Å
168H81.8Confident77.3Confident50 Ų5089 Ų8923%0.23142%0.416CS..Hα-helixtrans-64.9-45176.2-169-101.5000111.6D88 R164 Q165 I166 I170 K171 Y172 Y174D88-H168 IonicContact OD1-CE1 3.85Å; D88-H168 IonicContact OD1-NE2 3.99Å; R164-H168 PolarHBondContact O-N 3.38Å; Q165-H168 WeakPolarHBondContact O-CB 3.46Å; Q165-H168 PolarHBondContact O-N 3.04Å; I166-H168 VanDerWaalsContact C-N 3.3Å; I166-H168 PolarHBondContact O-N 3.42Å; H168-I170 VanDerWaalsContact C-N 3.3Å; H168-I170 PolarHBondContact O-N 3.37Å; H168-K171 PolarHBondContact O-N 3.4Å; H168-Y172 AromaticContact CD2-CD2 3.52Å; H168-Y172 AromaticContact CD2-CE2 3.43Å; H168-Y172 VanDerWaalsContact CD2-CE2 3.43Å; H168-Y172 WeakPolarHBondContact CD2-CE2 3.25Å; H168-Y172 AromaticContact CE1-CD2 3.57Å; H168-Y172 AromaticContact CE1-CE2 3.91Å; H168-Y172 AromaticContact CG-CD2 3.89Å; H168-Y172 AromaticContact ND1-CD2 3.92Å; H168-Y172 AromaticContact NE2-CD2 3.31Å; H168-Y172 VanDerWaalsContact NE2-CD2 3.31Å; H168-Y172 WeakPolarHBondContact NE2-CD2 3.49Å; H168-Y172 AromaticContact NE2-CE2 3.18Å; H168-Y172 WeakPolarHBondContact NE2-CE2 3.4Å; H168-Y172 WeakPolarHBondContact O-CD2 3.41Å; H168-Y172 PolarHBondContact O-N 2.96Å; H168-Y174 AromaticContact CE1-CE1 3.88Å; H168-Y174 AromaticContact ND1-CE1 3.4Å; H168-Y174 WeakPolarHBondContact ND1-CE1 3.35Å; H168-Y174 AromaticContact ND1-CZ 3.78Å; H168-Y174 PolarHBondContact ND1-OH 3.43Å
169M78.5Confident75.1Confident24 Ų2494 Ų9412%0.11844%0.44CS..Hα-helixtrans-58.5-41.4175.6-65.9165.675.100112.3L83 Q165 I166 R173 Y174 P176L83-M169 HydrophobicContact CD2-CE 4.44Å; Q165-M169 WeakPolarHBondContact O-CG 3.43Å; Q165-M169 PolarHBondContact O-N 2.78Å; I166-M169 WeakPolarHBondContact O-CB 3.18Å; I166-M169 PolarHBondContact O-N 3.44Å; M169-R173 WeakPolarHBondContact O-CA 3.31Å; M169-R173 PolarHBondContact O-N 3.13Å; M169-Y174 HydrophobicContact CB-CD2 4.34Å; M169-Y174 HydrophobicContact CB-CE2 4.11Å; M169-Y174 HydrophobicContact CE-CE2 4.49Å; M169-Y174 HydrophobicContact CG-CD2 4.03Å; M169-Y174 HydrophobicContact CG-CE1 4.45Å; M169-Y174 HydrophobicContact CG-CE2 3.36Å; M169-Y174 WeakPolarHBondContact CG-OH 3.37Å; M169-Y174 PolarHBondContact O-N 3.28Å; M169-P176 HydrophobicContact CE-CB 4.47Å; M169-P176 HydrophobicContact CE-CG 3.52Å
170I78.9Confident73Confident120 Ų12093.6 Ų93.662%0.61545%0.447SS*.Hα-helixtrans-69.6-45176.8-66.2167.5000110.6I166 K167 H168 Y172 R173I166-I170 HydrophobicContact CG2-CD1 3.72Å; I166-I170 HydrophobicContact CG2-CG1 4.34Å; I166-I170 VanDerWaalsContact O-CG1 3.29Å; I166-I170 WeakPolarHBondContact O-CG1 3.44Å; I166-I170 PolarHBondContact O-N 3.39Å; K167-I170 PolarHBondContact O-N 3.48Å; H168-I170 VanDerWaalsContact C-N 3.3Å; H168-I170 PolarHBondContact O-N 3.37Å; I170-Y172 VanDerWaalsContact C-N 3.34Å; I170-Y172 PolarHBondContact O-N 3.25Å; I170-R173 PolarHBondContact O-N 2.66Å
171K77.1Confident70.7Confident137 Ų13798.4 Ų98.460%0.59646%0.464SS*.Hα-helixtrans-58.4-46.2178.9-174.6-176.1177.2-154.20111.4K167 H168 R173K167-K171 WeakPolarHBondContact O-CB 3.43Å; K167-K171 PolarHBondContact O-N 2.76Å; H168-K171 PolarHBondContact O-N 3.4Å; K171-R173 VanDerWaalsContact C-N 3.35Å
172Y69.3Low68.9Low45 Ų45105.1 Ų105.118%0.17649%0.487CS..THydrogen-bonded Turntrans-95.513.9-176.7-67.4-74.5000113.5P89 E93 H168 I170 Y174P89-Y172 HydrophobicContact CB-CD1 3.71Å; P89-Y172 HydrophobicContact CB-CE1 4.33Å; P89-Y172 HydrophobicContact CB-CG 4.05Å; P89-Y172 HydrophobicContact CG-CG 4.49Å; E93-Y172 VanDerWaalsContact OE2-CE1 3.26Å; E93-Y172 WeakPolarHBondContact OE2-CE1 3.44Å; E93-Y172 PolarHBondContact OE2-OH 2.91Å; H168-Y172 AromaticContact CD2-CD2 3.52Å; H168-Y172 AromaticContact CD2-CE2 3.43Å; H168-Y172 VanDerWaalsContact CD2-CE2 3.43Å; H168-Y172 WeakPolarHBondContact CD2-CE2 3.25Å; H168-Y172 AromaticContact CE1-CD2 3.57Å; H168-Y172 AromaticContact CE1-CE2 3.91Å; H168-Y172 AromaticContact CG-CD2 3.89Å; H168-Y172 AromaticContact ND1-CD2 3.92Å; H168-Y172 AromaticContact NE2-CD2 3.31Å; H168-Y172 VanDerWaalsContact NE2-CD2 3.31Å; H168-Y172 WeakPolarHBondContact NE2-CD2 3.49Å; H168-Y172 AromaticContact NE2-CE2 3.18Å; H168-Y172 WeakPolarHBondContact NE2-CE2 3.4Å; H168-Y172 WeakPolarHBondContact O-CD2 3.41Å; H168-Y172 PolarHBondContact O-N 2.96Å; I170-Y172 VanDerWaalsContact C-N 3.34Å; I170-Y172 PolarHBondContact O-N 3.25Å; Y172-Y174 VanDerWaalsContact O-CB 3.25Å; Y172-Y174 WeakPolarHBondContact O-CB 3.29Å; Y172-Y174 PolarHBondContact O-N 3.42Å
173R65.8Low67Low186 Ų186113.4 Ų113.470%0.70252%0.522SS*.THydrogen-bonded Turntrans41.866.5174-75.7-123.5-80.2158.3-2.9114.6E107 M169 I170 K171E107-R173 IonicContact OE1-CZ 3.52Å; E107-R173 IonicContact OE1-NH1 3.62Å; E107-R173 IonicContact OE1-NH2 2.66Å; E107-R173 PolarHBondContact OE1-NH2 3.38Å; M169-R173 WeakPolarHBondContact O-CA 3.31Å; M169-R173 PolarHBondContact O-N 3.13Å; I170-R173 PolarHBondContact O-N 2.66Å; K171-R173 VanDerWaalsContact C-N 3.35Å
174Y66.3Low65.3Low4 Ų4116.2 Ų116.22%0.01653%0.529CS..  trans-142.6108.9-156126.5-160.4000106.6L83 P85 P89 F112 H168 M169 Y172L83-Y174 WeakPolarHBondContact O-CE2 3.26Å; P85-Y174 VanDerWaalsContact CD-CZ 3.41Å; P85-Y174 WeakPolarHBondContact CD-OH 3.08Å; P85-Y174 HydrophobicContact CG-CD1 4.33Å; P85-Y174 HydrophobicContact CG-CE1 3.9Å; P85-Y174 HydrophobicContact CG-CE2 4.4Å; P89-Y174 HydrophobicContact CG-CD1 4.17Å; P89-Y174 HydrophobicContact CG-CE1 4.49Å; F112-Y174 AromaticContact CD1-CD2 3.79Å; F112-Y174 HydrophobicContact CD1-CD2 3.79Å; F112-Y174 HydrophobicContact CD1-CG 4.14Å; F112-Y174 HydrophobicContact CE1-CD1 4.01Å; F112-Y174 AromaticContact CE1-CD2 3.27Å; F112-Y174 HydrophobicContact CE1-CD2 3.27Å; F112-Y174 HydrophobicContact CE1-CE2 4.32Å; F112-Y174 AromaticContact CE1-CG 3.16Å; F112-Y174 HydrophobicContact CE1-CG 3.16Å; F112-Y174 VanDerWaalsContact CE2-CA 3.4Å; F112-Y174 HydrophobicContact CZ-CD1 4.39Å; F112-Y174 AromaticContact CZ-CD2 3.93Å; F112-Y174 HydrophobicContact CZ-CD2 3.93Å; F112-Y174 AromaticContact CZ-CG 3.48Å; F112-Y174 HydrophobicContact CZ-CG 3.48Å; F112-Y174 VanDerWaalsContact CZ-CG 3.48Å; H168-Y174 AromaticContact CE1-CE1 3.88Å; H168-Y174 AromaticContact ND1-CE1 3.4Å; H168-Y174 WeakPolarHBondContact ND1-CE1 3.35Å; H168-Y174 AromaticContact ND1-CZ 3.78Å; H168-Y174 PolarHBondContact ND1-OH 3.43Å; M169-Y174 HydrophobicContact CB-CD2 4.34Å; M169-Y174 HydrophobicContact CB-CE2 4.11Å; M169-Y174 HydrophobicContact CE-CE2 4.49Å; M169-Y174 HydrophobicContact CG-CD2 4.03Å; M169-Y174 HydrophobicContact CG-CE1 4.45Å; M169-Y174 HydrophobicContact CG-CE2 3.36Å; M169-Y174 WeakPolarHBondContact CG-OH 3.37Å; M169-Y174 PolarHBondContact O-N 3.28Å; Y172-Y174 VanDerWaalsContact O-CB 3.25Å; Y172-Y174 WeakPolarHBondContact O-CB 3.29Å; Y172-Y174 PolarHBondContact O-N 3.42Å
175I61.1Low63.4Low114 Ų114116.8 Ų116.859%0.58554%0.537SS*.  trans-113119.9-168.8-53.9176.9000108.1F112 F177F112-I175 VanDerWaalsContact CD2-O 3.29Å; F112-I175 WeakPolarHBondContact CD2-O 3.35Å; I175-F177 VanDerWaalsContact CG2-O 3.28Å; I175-F177 WeakPolarHBondContact CG2-O 3.4Å; I175-F177 PolarHBondContact O-N 2.9Å
176P54.5Low61.6Low23 Ų23117.9 Ų117.915%0.14956%0.557CS.*SBendtrans-70.8-14.1-17628.4-34000112.5L83 M169L83-P176 HydrophobicContact CD2-CB 4.29Å; L83-P176 HydrophobicContact CD2-CG 4.08Å; M169-P176 HydrophobicContact CE-CB 4.47Å; M169-P176 HydrophobicContact CE-CG 3.52Å
177F56.3Low59.8Low131 Ų131123.3 Ų123.358%0.57558%0.577SS**SBendtrans-111.5111175.5-70.4-81.6000110I175 H179I175-F177 VanDerWaalsContact CG2-O 3.28Å; I175-F177 WeakPolarHBondContact CG2-O 3.4Å; I175-F177 PolarHBondContact O-N 2.9Å; F177-H179 VanDerWaalsContact C-N 3.3Å; F177-H179 PolarHBondContact O-N 2.78Å
178T52.7Low58.4Low103 Ų103123.9 Ų123.963%0.63258%0.582SS**  trans-73.484.416854.30000108.9G180T178-G180 PolarHBondContact O-N 3.19Å
179H46.8Very low56.8Low183 Ų183128.6 Ų128.685%0.84761%0.609SS**  trans-81.6113.6167.5-100.3-74.5000109.3F177F177-H179 VanDerWaalsContact C-N 3.3Å; F177-H179 PolarHBondContact O-N 2.78Å
180G47.1Very low55.3Low61 Ų61133.9 Ų133.963%0.62964%0.642SS**SBendtrans101.5106.7173.700000112.9T178 R182T178-G180 PolarHBondContact O-N 3.19Å; G180-R182 PolarHBondContact O-N 3.26Å
181K44.5Very low53.9Low206 Ų206131.3 Ų131.390%0.89665%0.646SS**  trans-58.9122.1160.6-61.9-171.4-179.6-174.60106.9K183K181-K183 PolarHBondContact O-N 3.46Å
182R52.2Low52.6Low167 Ų167133.9 Ų133.963%0.6366%0.657SS**  trans-60.3104.4161.5-86.8-174.6176.8172.61.3106.2G180 Y184G180-R182 PolarHBondContact O-N 3.26Å; R182-Y184 PolarHBondContact O-N 2.9Å
183K46.9Very low51.6Low201 Ų201137.2 Ų137.287%0.87468%0.682SS**  trans-60.7107.3161-88.1-174.3175-176.10105.2K181 K185K181-K183 PolarHBondContact O-N 3.46Å; K183-K185 PolarHBondContact O-N 2.93Å
184Y52.5Low50.8Low220 Ų220138.9 Ų138.986%0.86370%0.695SS**  trans-58110.7161.4-91.7-99.4000105.9R182 G186R182-Y184 PolarHBondContact O-N 2.9Å; Y184-G186 PolarHBondContact O-N 2.81Å
185K46.9Very low49.8Very low207 Ų207143.6 Ų143.690%0.973%0.734SS**  trans-63.4107163.7-124.9-175.1176.9-171.70104.3K183 K187K183-K185 PolarHBondContact O-N 2.93Å; K185-K187 PolarHBondContact O-N 2.84Å
186G45.1Very low48.9Very low52 Ų52147.5 Ų147.554%0.53677%0.772SS.*  trans-50.7132.6169.400000107.6Y184 E188Y184-G186 PolarHBondContact O-N 2.81Å; G186-E188 PolarHBondContact O-N 3.25Å
187K48.2Very low48.6Very low196 Ų196153.7 Ų153.785%0.85280%0.803SS**  trans-70.875.7171.1-140.4-176.5-173.1-176.50106.2K185K185-K187 PolarHBondContact O-N 2.84Å
188E53.7Low48.2Very low171 Ų171154.9 Ų154.980%0.79982%0.815SS**  trans-78.3137.8164.2-63.6-179-155.900106.7G186G186-E188 PolarHBondContact O-N 3.25Å
189D49.3Very low48Very low149 Ų149157.8 Ų157.880%0.79783%0.825SS**  trans84.864.2179.1-54.5-37.9000118
190V47.4Very low48.1Very low135 Ų135156.3 Ų156.382%0.81882%0.824SS**SBendtrans-122.573.2142.3-172.60000107.4
191G49.1Very low48.1Very low67 Ų67162.3 Ų162.369%0.69184%0.836SS**  trans-166.820.6-172.900000116.8
192K49.2Very low48.4Very low190 Ų190159.3 Ų159.383%0.82683%0.832SS**  trans-150.5117.2163.3-65.7-175.5-179.5169.40103.9
193T48Very low48.1Very low115 Ų115158.8 Ų158.871%0.70685%0.846SS**  -172116.257.236.80000108.5
194F48.2Very low48.2Very low222 Ų222155.5 Ų155.597%0.97484%0.844SS**  trans-153.375.8151.7-72.6-68000108.1
195A46.3Very low47.8Very low102 Ų102150.2 Ų150.284%0.84384%0.843SS**  trans-166.889.715900000107.6
196S42.3Very low47.9Very low196 Ų196145 Ų145100%1.37184%0.837SS**  trans-1650134.7-160.70000110

Retrieved 196 of 196 residues in 1225.1 ms (Link to these results)