A0A3Q0KFG9_SCHMA Loading...

Beta-1,4-galactosyltransferase AlphaSync

Catalyses the transfer of galactose onto proteins or lipids.

AlphaFold DB , UniProt , Accession A0A3Q0KFG9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 377 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
1M68.2Low81.5Confident207 Ų207133.8 Ų133.8100%1.0265%0.649SS**  0-580-75175.969.300114R3 I4 L5M1-R3 PolarHBondContact O-N 3.35Å; M1-I4 PolarHBondContact O-N 3.28Å; M1-I4 VanDerWaalsContact O-N 3.15Å; M1-L5 PolarHBondContact O-N 2.87Å
2K73.2Confident82.1Confident173 Ų173130.8 Ų130.875%0.75264%0.637SS**Hα-helixtrans-53.3-42.8-177-73.6-176.2177.4179.80115I4 L5 Y6K2-I4 PolarHBondContact O-N 3.02Å; K2-L5 PolarHBondContact O-N 3.26Å; K2-Y6 WeakPolarHBondContact O-CD2 3.33Å; K2-Y6 PolarHBondContact O-N 3.34Å; K2-Y6 VanDerWaalsContact O-N 3.12Å
3R76.4Confident82.5Confident226 Ų226126.5 Ų126.585%0.85363%0.626SS**Hα-helixtrans-59.9-40.9178-98.7-177.5173.1179.3-2.4113.8M1 Y6 T7M1-R3 PolarHBondContact O-N 3.35Å; R3-Y6 PolarHBondContact O-N 3.21Å; R3-T7 PolarHBondContact O-N 3.27Å; R3-T7 VanDerWaalsContact O-N 3.12Å; R3-T7 PolarHBondContact O-OG1 3.36Å
4I83.2Confident82.8Confident127 Ų127120.4 Ų120.465%0.65161%0.611SS**Hα-helixtrans-67.7-39.3-179.7-62.7171.5000110.4M1 K2 T7 L8M1-I4 PolarHBondContact O-N 3.28Å; M1-I4 VanDerWaalsContact O-N 3.15Å; K2-I4 PolarHBondContact O-N 3.02Å; I4-T7 VanDerWaalsContact CA-OG1 3.3Å; I4-T7 WeakPolarHBondContact CA-OG1 3.35Å; I4-T7 PolarHBondContact O-N 3.17Å; I4-T7 PolarHBondContact O-OG1 3.26Å; I4-L8 WeakPolarHBondContact O-CB 3.36Å; I4-L8 PolarHBondContact O-N 3.03Å
5L83.2Confident83.2Confident103 Ų103120.9 Ų120.954%0.53961%0.608SS.*Hα-helixtrans-63.5-44.6176.6-174.566.1000111.7M1 K2 L8 I9M1-L5 PolarHBondContact O-N 2.87Å; K2-L5 PolarHBondContact O-N 3.26Å; L5-L8 PolarHBondContact O-N 3.01Å; L5-I9 HydrophobicContact CD1-CD1 4.38Å; L5-I9 HydrophobicContact CG-CD1 4Å; L5-I9 WeakPolarHBondContact O-CG1 3.24Å; L5-I9 PolarHBondContact O-N 2.93Å
6Y81.4Confident83.4Confident160 Ų160117.8 Ų117.863%0.62760%0.598SS**Hα-helixtrans-62.5-42.9176.5-82.7-69.9000112.6K2 R3 L8 I9 C10K2-Y6 WeakPolarHBondContact O-CD2 3.33Å; K2-Y6 PolarHBondContact O-N 3.34Å; K2-Y6 VanDerWaalsContact O-N 3.12Å; R3-Y6 PolarHBondContact O-N 3.21Å; Y6-L8 VanDerWaalsContact C-N 3.31Å; Y6-L8 PolarHBondContact O-N 3.38Å; Y6-I9 PolarHBondContact O-N 3.46Å; Y6-C10 PolarHBondContact O-N 3.45Å; Y6-C10 PolarHBondContact O-SG 3.18Å
7T84.1Confident83.7Confident84 Ų84117.7 Ų117.752%0.51560%0.598SS.*Hα-helixtrans-63.2-38.1175.639.50000112.4R3 I4 L11R3-T7 PolarHBondContact O-N 3.27Å; R3-T7 VanDerWaalsContact O-N 3.12Å; R3-T7 PolarHBondContact O-OG1 3.36Å; I4-T7 VanDerWaalsContact CA-OG1 3.3Å; I4-T7 WeakPolarHBondContact CA-OG1 3.35Å; I4-T7 PolarHBondContact O-N 3.17Å; I4-T7 PolarHBondContact O-OG1 3.26Å; T7-L11 WeakPolarHBondContact O-CB 3.48Å; T7-L11 WeakPolarHBondContact O-CG 3.27Å; T7-L11 PolarHBondContact O-N 3.23Å
8L87.6Confident84Confident99 Ų99117.9 Ų117.952%0.51859%0.594SS.*Hα-helixtrans-67.3-43.1177.6-164.774.9000111.5I4 L5 Y6 L11 I12I4-L8 WeakPolarHBondContact O-CB 3.36Å; I4-L8 PolarHBondContact O-N 3.03Å; L5-L8 PolarHBondContact O-N 3.01Å; Y6-L8 VanDerWaalsContact C-N 3.31Å; Y6-L8 PolarHBondContact O-N 3.38Å; L8-L11 PolarHBondContact O-N 3.42Å; L8-I12 HydrophobicContact CG-CD1 4.15Å; L8-I12 VanDerWaalsContact O-CG1 3.28Å; L8-I12 WeakPolarHBondContact O-CG1 3.11Å; L8-I12 PolarHBondContact O-N 3.06Å
9I86.4Confident84.2Confident80 Ų80116.1 Ų116.141%0.4159%0.586SS.*Hα-helixtrans-62.1-46.1176.3-68.4167.4000110.8L5 Y6 L11 I12 C13L5-I9 HydrophobicContact CD1-CD1 4.38Å; L5-I9 HydrophobicContact CG-CD1 4Å; L5-I9 WeakPolarHBondContact O-CG1 3.24Å; L5-I9 PolarHBondContact O-N 2.93Å; Y6-I9 PolarHBondContact O-N 3.46Å; I9-L11 VanDerWaalsContact C-N 3.32Å; I9-L11 PolarHBondContact O-N 2.97Å; I9-I12 PolarHBondContact O-N 3.38Å; I9-C13 WeakPolarHBondContact O-CB 3.14Å; I9-C13 PolarHBondContact O-N 2.94Å; I9-C13 PolarHBondContact O-SG 3.36Å; I9-C13 VanDerWaalsContact O-SG 3.39Å
10C84.9Confident84.3Confident88 Ų88114.6 Ų114.660%0.59559%0.586SS**Hα-helixtrans-61.9-38.8178-730000112.5Y6 G14Y6-C10 PolarHBondContact O-N 3.45Å; Y6-C10 PolarHBondContact O-SG 3.18Å; C10-G14 PolarHBondContact O-N 2.82Å
11L88.1Confident84.4Confident125 Ų125114.1 Ų114.165%0.65458%0.584SS**Hα-helixtrans-65-43.7175.7-80.2163.5000111.8T7 L8 I9 F15T7-L11 WeakPolarHBondContact O-CB 3.48Å; T7-L11 WeakPolarHBondContact O-CG 3.27Å; T7-L11 PolarHBondContact O-N 3.23Å; L8-L11 PolarHBondContact O-N 3.42Å; I9-L11 VanDerWaalsContact C-N 3.32Å; I9-L11 PolarHBondContact O-N 2.97Å; L11-F15 VanDerWaalsContact O-CB 3.28Å; L11-F15 WeakPolarHBondContact O-CB 3.42Å; L11-F15 PolarHBondContact O-N 3.46Å
12I88.5Confident85.1Confident98 Ų98108 Ų10850%0.50356%0.555SS.*Hα-helixtrans-63.9-50177.4-66.9165.1000110.2L8 I9 G14 F15 T16L8-I12 HydrophobicContact CG-CD1 4.15Å; L8-I12 VanDerWaalsContact O-CG1 3.28Å; L8-I12 WeakPolarHBondContact O-CG1 3.11Å; L8-I12 PolarHBondContact O-N 3.06Å; I9-I12 PolarHBondContact O-N 3.38Å; I12-G14 PolarHBondContact O-N 3.46Å; I12-F15 PolarHBondContact O-N 3.19Å; I12-T16 HydrophobicContact CG2-CG2 4.46Å; I12-T16 WeakPolarHBondContact O-CG2 3.42Å; I12-T16 PolarHBondContact O-N 3.42Å; I12-T16 PolarHBondContact O-OG1 3.42Å
13C86.7Confident85.5Confident74 Ų74105.8 Ų105.850%0.555%0.545SS..Hα-helixtrans-60.3-44.9178.7-70.60000111.7I9 F15 T16 L17I9-C13 WeakPolarHBondContact O-CB 3.14Å; I9-C13 PolarHBondContact O-N 2.94Å; I9-C13 PolarHBondContact O-SG 3.36Å; I9-C13 VanDerWaalsContact O-SG 3.39Å; C13-F15 VanDerWaalsContact C-N 3.35Å; C13-F15 PolarHBondContact O-N 3.31Å; C13-T16 WeakPolarHBondContact CA-OG1 3.21Å; C13-T16 PolarHBondContact O-N 3.43Å; C13-T16 PolarHBondContact O-OG1 3.5Å; C13-L17 WeakPolarHBondContact O-CB 3.32Å; C13-L17 PolarHBondContact O-N 2.8Å
14G86.7Confident85.6Confident41 Ų41101.4 Ų101.442%0.42353%0.534SS..Hα-helixtrans-60.4-43176.500000112.5C10 I12 L17 F18C10-G14 PolarHBondContact O-N 2.82Å; I12-G14 PolarHBondContact O-N 3.46Å; G14-L17 PolarHBondContact O-N 3.42Å; G14-F18 WeakPolarHBondContact O-CB 3.49Å; G14-F18 PolarHBondContact O-N 3.33Å
15F89Confident85.3Confident129 Ų129101.8 Ų101.857%0.56653%0.533SS*.Hα-helixtrans-66.6-40.9177.2-170.1-106.1000112.3L11 I12 C13 F18 L19L11-F15 VanDerWaalsContact O-CB 3.28Å; L11-F15 WeakPolarHBondContact O-CB 3.42Å; L11-F15 PolarHBondContact O-N 3.46Å; I12-F15 PolarHBondContact O-N 3.19Å; C13-F15 VanDerWaalsContact C-N 3.35Å; C13-F15 PolarHBondContact O-N 3.31Å; F15-F18 PolarHBondContact O-N 3.4Å; F15-L19 HydrophobicContact CD1-CD1 3.72Å; F15-L19 HydrophobicContact CD1-CG 4.29Å; F15-L19 HydrophobicContact CE1-CD1 3.38Å; F15-L19 HydrophobicContact CE1-CG 4.03Å; F15-L19 HydrophobicContact CZ-CD1 4.04Å; F15-L19 HydrophobicContact CZ-CD2 4.43Å; F15-L19 HydrophobicContact CZ-CG 4.27Å; F15-L19 WeakPolarHBondContact O-CG 3.05Å; F15-L19 PolarHBondContact O-N 3.3Å
16T87.2Confident84.8Confident71 Ų71104.5 Ų104.544%0.43654%0.537SS..Hα-helixtrans-64.7-39.5175.654.50000112.6I12 C13 L19 C20I12-T16 HydrophobicContact CG2-CG2 4.46Å; I12-T16 WeakPolarHBondContact O-CG2 3.42Å; I12-T16 PolarHBondContact O-N 3.42Å; I12-T16 PolarHBondContact O-OG1 3.42Å; C13-T16 WeakPolarHBondContact CA-OG1 3.21Å; C13-T16 PolarHBondContact O-N 3.43Å; C13-T16 PolarHBondContact O-OG1 3.5Å; T16-L19 PolarHBondContact O-N 3.42Å; T16-C20 PolarHBondContact O-N 2.97Å; T16-C20 PolarHBondContact O-SG 3.43Å
17L87.7Confident84.2Confident116 Ų116101 Ų10161%0.60753%0.528SS*.Hα-helixtrans-65.5-43.2176.2-162.190.2000110.7C13 G14 C20 L21C13-L17 WeakPolarHBondContact O-CB 3.32Å; C13-L17 PolarHBondContact O-N 2.8Å; G14-L17 PolarHBondContact O-N 3.42Å; L17-C20 WeakPolarHBondContact O-CB 3.45Å; L17-C20 PolarHBondContact O-N 2.93Å; L17-L21 WeakPolarHBondContact O-CG 3.39Å; L17-L21 PolarHBondContact O-N 3.38Å
18F89.5Confident83.2Confident121 Ų121100 Ų10053%0.53152%0.524SS..Hα-helixtrans-62-43.7176.6-176.4-106.8000112.2G14 F15 C20 L21 I22G14-F18 WeakPolarHBondContact O-CB 3.49Å; G14-F18 PolarHBondContact O-N 3.33Å; F15-F18 PolarHBondContact O-N 3.4Å; F18-C20 VanDerWaalsContact C-N 3.35Å; F18-C20 PolarHBondContact O-N 3.46Å; F18-L21 PolarHBondContact O-N 3.02Å; F18-I22 HydrophobicContact CD1-CD1 3.71Å; F18-I22 HydrophobicContact CE1-CD1 3.21Å; F18-I22 HydrophobicContact CE1-CG1 4.24Å; F18-I22 HydrophobicContact CE2-CD1 4.32Å; F18-I22 HydrophobicContact CG-CD1 4.45Å; F18-I22 HydrophobicContact CZ-CD1 3.57Å; F18-I22 HydrophobicContact CZ-CG1 4.29Å; F18-I22 WeakPolarHBondContact O-CG1 3.27Å; F18-I22 PolarHBondContact O-N 2.99Å
19L88.6Confident81.9Confident84 Ų84102 Ų10244%0.4453%0.529SS..Hα-helixtrans-63-39.2173.6-75.4176000112.3F15 T16 L21 I22 F23F15-L19 HydrophobicContact CD1-CD1 3.72Å; F15-L19 HydrophobicContact CD1-CG 4.29Å; F15-L19 HydrophobicContact CE1-CD1 3.38Å; F15-L19 HydrophobicContact CE1-CG 4.03Å; F15-L19 HydrophobicContact CZ-CD1 4.04Å; F15-L19 HydrophobicContact CZ-CD2 4.43Å; F15-L19 HydrophobicContact CZ-CG 4.27Å; F15-L19 WeakPolarHBondContact O-CG 3.05Å; F15-L19 PolarHBondContact O-N 3.3Å; T16-L19 PolarHBondContact O-N 3.42Å; L19-L21 VanDerWaalsContact C-N 3.33Å; L19-I22 PolarHBondContact O-N 3.42Å; L19-F23 VanDerWaalsContact O-CB 3.25Å; L19-F23 WeakPolarHBondContact O-CB 3.23Å; L19-F23 PolarHBondContact O-N 2.97Å
20C84.9Confident80.4Confident85 Ų85100 Ų10057%0.57452%0.523SS*.Hα-helixtrans-64.1-39174.8-70.70000111.8T16 L17 F18 F23 H24T16-C20 PolarHBondContact O-N 2.97Å; T16-C20 PolarHBondContact O-SG 3.43Å; L17-C20 WeakPolarHBondContact O-CB 3.45Å; L17-C20 PolarHBondContact O-N 2.93Å; F18-C20 VanDerWaalsContact C-N 3.35Å; F18-C20 PolarHBondContact O-N 3.46Å; C20-F23 PolarHBondContact O-N 3.16Å; C20-H24 VanDerWaalsContact O-CB 3.25Å; C20-H24 WeakPolarHBondContact O-CB 3.26Å; C20-H24 PolarHBondContact O-N 3.13Å
21L86Confident79Confident106 Ų106100.8 Ų100.856%0.55553%0.525SS*.Hα-helixtrans-67.7-43.7176.6-70.5171.7000111.7L17 F18 L19 F23 H24 Q25L17-L21 WeakPolarHBondContact O-CG 3.39Å; L17-L21 PolarHBondContact O-N 3.38Å; F18-L21 PolarHBondContact O-N 3.02Å; L19-L21 VanDerWaalsContact C-N 3.33Å; L21-F23 VanDerWaalsContact C-N 3.34Å; L21-H24 PolarHBondContact O-N 2.8Å; L21-Q25 VanDerWaalsContact O-CB 3.26Å; L21-Q25 WeakPolarHBondContact O-CB 3.37Å; L21-Q25 PolarHBondContact O-N 3.38Å
22I83.9Confident77.4Confident78 Ų7898.5 Ų98.540%0.452%0.524SS..Hα-helixtrans-61.8-44.9173.7-69.9174.3000110.2F18 L19 Q25 W26F18-I22 HydrophobicContact CD1-CD1 3.71Å; F18-I22 HydrophobicContact CE1-CD1 3.21Å; F18-I22 HydrophobicContact CE1-CG1 4.24Å; F18-I22 HydrophobicContact CE2-CD1 4.32Å; F18-I22 HydrophobicContact CG-CD1 4.45Å; F18-I22 HydrophobicContact CZ-CD1 3.57Å; F18-I22 HydrophobicContact CZ-CG1 4.29Å; F18-I22 WeakPolarHBondContact O-CG1 3.27Å; F18-I22 PolarHBondContact O-N 2.99Å; L19-I22 PolarHBondContact O-N 3.42Å; I22-Q25 PolarHBondContact O-N 3.5Å; I22-W26 WeakPolarHBondContact O-CB 3.43Å; I22-W26 PolarHBondContact O-N 3.39Å
23F81.3Confident75.2Confident127 Ų12799 Ų9956%0.55753%0.527SS*.Hα-helixtrans-63.7-43.1179.2-170.5-101000111.1L19 C20 L21 W26 L27L19-F23 VanDerWaalsContact O-CB 3.25Å; L19-F23 WeakPolarHBondContact O-CB 3.23Å; L19-F23 PolarHBondContact O-N 2.97Å; C20-F23 PolarHBondContact O-N 3.16Å; L21-F23 VanDerWaalsContact C-N 3.34Å; F23-W26 PolarHBondContact O-N 3.07Å; F23-L27 HydrophobicContact CE1-CD1 3.97Å; F23-L27 HydrophobicContact CZ-CD1 3.94Å; F23-L27 VanDerWaalsContact O-CB 3.31Å; F23-L27 WeakPolarHBondContact O-CB 3.29Å; F23-L27 PolarHBondContact O-N 3.31Å
24H79.3Confident73Confident134 Ų134100.9 Ų100.962%0.6253%0.531SS*.Hα-helixtrans-62.2-43.9175.1-173.3-76.7000111.6C20 L21 L27 S28C20-H24 VanDerWaalsContact O-CB 3.25Å; C20-H24 WeakPolarHBondContact O-CB 3.26Å; C20-H24 PolarHBondContact O-N 3.13Å; L21-H24 PolarHBondContact O-N 2.8Å; H24-L27 PolarHBondContact O-N 3.37Å; H24-S28 WeakPolarHBondContact O-CB 3.46Å; H24-S28 PolarHBondContact O-N 3.37Å; H24-S28 PolarHBondContact O-OG 3.45Å
25Q75.5Confident70.6Confident134 Ų134104.4 Ų104.463%0.62655%0.547SS*.Hα-helixtrans-67.7-39.4178.8-158.9169.615.400111.4L21 I22 S28 F29L21-Q25 VanDerWaalsContact O-CB 3.26Å; L21-Q25 WeakPolarHBondContact O-CB 3.37Å; L21-Q25 PolarHBondContact O-N 3.38Å; I22-Q25 PolarHBondContact O-N 3.5Å; Q25-S28 VanDerWaalsContact CA-OG 3.31Å; Q25-S28 WeakPolarHBondContact CA-OG 3.04Å; Q25-S28 PolarHBondContact O-N 3.27Å; Q25-S28 PolarHBondContact O-OG 3.47Å; Q25-S28 VanDerWaalsContact O-OG 3.14Å; Q25-F29 WeakPolarHBondContact O-CB 3.49Å; Q25-F29 PolarHBondContact O-N 3.16Å
26W74.4Confident68.6Low161 Ų161105.1 Ų105.161%0.6155%0.553SS**Hα-helixtrans-67.5-39.9174.5-173.180000111.9I22 F23 F29 S30I22-W26 WeakPolarHBondContact O-CB 3.43Å; I22-W26 PolarHBondContact O-N 3.39Å; F23-W26 PolarHBondContact O-N 3.07Å; W26-F29 PolarHBondContact O-N 2.98Å; W26-S30 VanDerWaalsContact O-CB 3.22Å; W26-S30 WeakPolarHBondContact O-CB 3.11Å; W26-S30 PolarHBondContact O-N 2.9Å; W26-S30 PolarHBondContact O-OG 2.85Å
27L67.4Low66.5Low85 Ų85107.1 Ų107.145%0.44557%0.568SS.*Hα-helixtrans-64.6-44.1175-145.685.3000110.6F23 H24 F29 S30 V31F23-L27 HydrophobicContact CE1-CD1 3.97Å; F23-L27 HydrophobicContact CZ-CD1 3.94Å; F23-L27 VanDerWaalsContact O-CB 3.31Å; F23-L27 WeakPolarHBondContact O-CB 3.29Å; F23-L27 PolarHBondContact O-N 3.31Å; H24-L27 PolarHBondContact O-N 3.37Å; L27-F29 PolarHBondContact O-N 3.07Å; L27-S30 PolarHBondContact O-N 3.28Å; L27-V31 WeakPolarHBondContact O-CB 3.04Å; L27-V31 WeakPolarHBondContact O-CG2 3.32Å; L27-V31 PolarHBondContact O-N 2.83Å
28S63.4Low64.7Low63 Ų63109.2 Ų109.244%0.44157%0.574SS.*Hα-helixtrans-66.7-35.1176.735.60000112.4H24 Q25 A32H24-S28 WeakPolarHBondContact O-CB 3.46Å; H24-S28 PolarHBondContact O-N 3.37Å; H24-S28 PolarHBondContact O-OG 3.45Å; Q25-S28 VanDerWaalsContact CA-OG 3.31Å; Q25-S28 WeakPolarHBondContact CA-OG 3.04Å; Q25-S28 PolarHBondContact O-N 3.27Å; Q25-S28 PolarHBondContact O-OG 3.47Å; Q25-S28 VanDerWaalsContact O-OG 3.14Å; S28-A32 WeakPolarHBondContact O-CB 3.44Å; S28-A32 PolarHBondContact O-N 2.04Å
29F60.1Low63.2Low141 Ų141105.8 Ų105.862%0.61857%0.565SS**Hα-helixtrans-71.8-36.5173.3-131.9-94000113.2Q25 W26 L27 N33Q25-F29 WeakPolarHBondContact O-CB 3.49Å; Q25-F29 PolarHBondContact O-N 3.16Å; W26-F29 PolarHBondContact O-N 2.98Å; L27-F29 PolarHBondContact O-N 3.07Å; F29-N33 WeakPolarHBondContact CD1-ND2 3.5Å; F29-N33 PolarHBondContact O-N 3.34Å; F29-N33 PolarHBondContact O-ND2 2.87Å
30S54.8Low61.8Low39 Ų39110.9 Ų110.927%0.27358%0.578SS.*Hα-helixtrans-74.3-36.9-179.7-580000111.5W26 L27 N33 I34W26-S30 VanDerWaalsContact O-CB 3.22Å; W26-S30 WeakPolarHBondContact O-CB 3.11Å; W26-S30 PolarHBondContact O-N 2.9Å; W26-S30 PolarHBondContact O-OG 2.85Å; L27-S30 PolarHBondContact O-N 3.28Å; S30-N33 PolarHBondContact O-N 3.25Å; S30-I34 WeakPolarHBondContact O-CG1 3.45Å; S30-I34 PolarHBondContact O-N 3.16Å
31V56.3Low60.7Low105 Ų105111.7 Ų111.764%0.63658%0.576SS**Hα-helixtrans-69.6-34.3174.2173.20000111.4L27 N33L27-V31 WeakPolarHBondContact O-CB 3.04Å; L27-V31 WeakPolarHBondContact O-CG2 3.32Å; L27-V31 PolarHBondContact O-N 2.83Å; V31-N33 VanDerWaalsContact C-N 3.3Å; V31-N33 PolarHBondContact O-N 2.99Å
32A53.9Low60Low77 Ų77109.4 Ų109.464%0.63656%0.564SS**Hα-helixtrans-70.5-22.6177.700000114.1S28S28-A32 WeakPolarHBondContact O-CB 3.44Å; S28-A32 PolarHBondContact O-N 2.04Å
33N41.7Very low59.6Low109 Ų109108.9 Ų108.958%0.58357%0.567SS**THydrogen-bonded Turntrans-113.812.1-171.7-73.5-40.5000114.8F29 S30 V31 P35F29-N33 WeakPolarHBondContact CD1-ND2 3.5Å; F29-N33 PolarHBondContact O-N 3.34Å; F29-N33 PolarHBondContact O-ND2 2.87Å; S30-N33 PolarHBondContact O-N 3.25Å; V31-N33 VanDerWaalsContact C-N 3.3Å; V31-N33 PolarHBondContact O-N 2.99Å; N33-P35 WeakPolarHBondContact O-CD 3.28Å
34I40.8Very low59.2Low112 Ų112107.1 Ų107.157%0.57456%0.561SS**  trans-82.5108.6162.9-64.8165.4000106.2S30 M36S30-I34 WeakPolarHBondContact O-CG1 3.45Å; S30-I34 PolarHBondContact O-N 3.16Å; I34-M36 PolarHBondContact O-N 3.17Å
35P37.8Very low59.1Low116 Ų116101.3 Ų101.375%0.75353%0.534SS*.  trans-64.896.3165.127.2-30.3000106.3N33 P37N33-P35 WeakPolarHBondContact O-CD 3.28Å; P35-P37 VanDerWaalsContact O-CD 3.25Å; P35-P37 WeakPolarHBondContact O-CD 3.31Å; P35-P37 VanDerWaalsContact O-N 3.15Å
36M45.2Very low59.3Low143 Ų14397.3 Ų97.370%0.70453%0.525SS*.  trans-57.2117.9165.7-76.4-79.7-7400105.5I34 H38I34-M36 PolarHBondContact O-N 3.17Å; M36-H38 PolarHBondContact O-N 3.1Å
37P43.9Very low59.7Low113 Ų11394.2 Ų94.273%0.73452%0.52SS*.  trans-60.3108.6167.824.4-28.6000105.4P35 S39P35-P37 VanDerWaalsContact O-CD 3.25Å; P35-P37 WeakPolarHBondContact O-CD 3.31Å; P35-P37 VanDerWaalsContact O-N 3.15Å; P37-S39 PolarHBondContact O-N 3.32Å
38H49.6Very low60.4Low160 Ų16090.3 Ų90.374%0.74150%0.499SS*.  trans-53.9111170-83.7-64.7000105.8M36M36-H38 PolarHBondContact O-N 3.1Å
39S59.1Low61.3Low49 Ų4988.7 Ų88.734%0.34349%0.485SS..  trans-62.2151.1177.567.90000107.3P37 I41 D42 S43P37-S39 PolarHBondContact O-N 3.32Å; S39-I41 PolarHBondContact O-N 2.71Å; S39-I41 VanDerWaalsContact O-N 3.08Å; S39-D42 PolarHBondContact N-OD2 3.41Å; S39-D42 WeakPolarHBondContact O-CB 3.01Å; S39-D42 PolarHBondContact O-N 2.05Å; S39-D42 PolarHBondContact OG-N 2.84Å; S39-D42 PolarHBondContact OG-OD2 3.49Å; S39-S43 PolarHBondContact O-N 3.29Å
40R58.8Low62.5Low191 Ų19186.1 Ų86.172%0.72148%0.481SS*.Hα-helixtrans-50.6-35.5173.6-177.7177.2172172.92.4111.6D42 S43 E44R40-D42 VanDerWaalsContact C-N 3.34Å; R40-D42 PolarHBondContact O-N 2.71Å; R40-S43 PolarHBondContact O-N 3.42Å; R40-S43 PolarHBondContact O-OG 3.11Å; R40-E44 IonicContact CZ-OE1 3.9Å; R40-E44 IonicContact NE-OE1 3.09Å; R40-E44 PolarHBondContact NE-OE1 3.11Å; R40-E44 VanDerWaalsContact NE-OE1 3.09Å; R40-E44 IonicContact NH2-OE1 2.7Å; R40-E44 PolarHBondContact O-N 3.24Å; R40-E44 VanDerWaalsContact O-N 3.1Å
41I61.6Low64.1Low102 Ų10288.1 Ų88.152%0.52349%0.488SS..Hα-helixtrans-58.9-41.7174.5-59.9172.6000111.5S39 S43 L45S39-I41 PolarHBondContact O-N 2.71Å; S39-I41 VanDerWaalsContact O-N 3.08Å; I41-S43 VanDerWaalsContact C-N 3.31Å; I41-S43 PolarHBondContact O-N 2.82Å; I41-L45 WeakPolarHBondContact O-CB 3.28Å; I41-L45 PolarHBondContact O-N 2.97Å
42D71Confident65.5Low58 Ų5884.3 Ų84.331%0.3146%0.464SS..Hα-helixtrans-65.3-35.6178.1-63-47.1000111.9S39 R40 A46S39-D42 PolarHBondContact N-OD2 3.41Å; S39-D42 WeakPolarHBondContact O-CB 3.01Å; S39-D42 PolarHBondContact O-N 2.05Å; S39-D42 PolarHBondContact OG-N 2.84Å; S39-D42 PolarHBondContact OG-OD2 3.49Å; R40-D42 VanDerWaalsContact C-N 3.34Å; R40-D42 PolarHBondContact O-N 2.71Å; D42-A46 VanDerWaalsContact O-CB 3.22Å; D42-A46 WeakPolarHBondContact O-CB 2.98Å; D42-A46 PolarHBondContact O-N 2.68Å
43S74.9Confident67Low67 Ų6783.6 Ų83.647%0.46945%0.449SS..Hα-helixtrans-72.2-44.2179.269.40000113.2S39 R40 I41 L45 A46 L47S39-S43 PolarHBondContact O-N 3.29Å; R40-S43 PolarHBondContact O-N 3.42Å; R40-S43 PolarHBondContact O-OG 3.11Å; I41-S43 VanDerWaalsContact C-N 3.31Å; I41-S43 PolarHBondContact O-N 2.82Å; S43-L45 VanDerWaalsContact C-N 3.29Å; S43-L45 PolarHBondContact O-N 2.99Å; S43-A46 PolarHBondContact O-N 3.27Å; S43-L47 WeakPolarHBondContact O-CB 3.47Å; S43-L47 PolarHBondContact O-N 3.13Å
44E73.8Confident69.2Low91 Ų9182.4 Ų82.443%0.42545%0.449SS..Hα-helixtrans-63.5-40.2176.6-72.6171.1-172.100110.3R40 L47 F48R40-E44 IonicContact CZ-OE1 3.9Å; R40-E44 IonicContact NE-OE1 3.09Å; R40-E44 PolarHBondContact NE-OE1 3.11Å; R40-E44 VanDerWaalsContact NE-OE1 3.09Å; R40-E44 IonicContact NH2-OE1 2.7Å; R40-E44 PolarHBondContact O-N 3.24Å; R40-E44 VanDerWaalsContact O-N 3.1Å; E44-L47 PolarHBondContact O-N 3.32Å; E44-F48 WeakPolarHBondContact O-CB 3.41Å; E44-F48 PolarHBondContact O-N 3.33Å
45L76.3Confident71.5Confident11 Ų1182.1 Ų82.16%0.05844%0.441CS..Hα-helixtrans-70.7-40.7178.8-17851.1000113.1I41 S43 L47 F48 I49 A288 L289 Q292I41-L45 WeakPolarHBondContact O-CB 3.28Å; I41-L45 PolarHBondContact O-N 2.97Å; S43-L45 VanDerWaalsContact C-N 3.29Å; S43-L45 PolarHBondContact O-N 2.99Å; L45-L47 VanDerWaalsContact C-N 3.32Å; L45-L47 PolarHBondContact O-N 3.36Å; L45-F48 HydrophobicContact CD1-CD1 4.22Å; L45-F48 WeakPolarHBondContact O-CB 3.11Å; L45-F48 PolarHBondContact O-N 2.78Å; L45-I49 HydrophobicContact CD1-CD1 4.23Å; L45-I49 HydrophobicContact CD1-CG1 4.43Å; L45-I49 HydrophobicContact CG-CD1 4.36Å; L45-I49 VanDerWaalsContact O-CG1 3.32Å; L45-I49 WeakPolarHBondContact O-CG1 3.47Å; L45-I49 PolarHBondContact O-N 3.5Å; L45-A288 HydrophobicContact CD2-CB 4.42Å; L45-L289 HydrophobicContact CD1-CB 4.01Å; L45-L289 HydrophobicContact CD1-CD1 3.2Å; L45-L289 HydrophobicContact CD1-CG 4.16Å; L45-Q292 HydrophobicContact CD2-CB 4.45Å; L45-Q292 HydrophobicContact CD2-CG 4.01Å
46A80.1Confident74.1Confident51 Ų5176.7 Ų76.742%0.42141%0.405SS..Hα-helixtrans-63.4-38.6173.700000112.1D42 S43 T50D42-A46 VanDerWaalsContact O-CB 3.22Å; D42-A46 WeakPolarHBondContact O-CB 2.98Å; D42-A46 PolarHBondContact O-N 2.68Å; S43-A46 PolarHBondContact O-N 3.27Å; A46-T50 WeakPolarHBondContact O-CB 3.39Å; A46-T50 PolarHBondContact O-N 3.24Å; A46-T50 PolarHBondContact O-OG1 3.43Å
47L83.1Confident76.2Confident96 Ų9675.5 Ų75.550%0.50340%0.402SS..Hα-helixtrans-65.1-47175.5-177.962.6000111.2S43 E44 L45 I49 T50 N51S43-L47 WeakPolarHBondContact O-CB 3.47Å; S43-L47 PolarHBondContact O-N 3.13Å; E44-L47 PolarHBondContact O-N 3.32Å; L45-L47 VanDerWaalsContact C-N 3.32Å; L45-L47 PolarHBondContact O-N 3.36Å; L47-I49 PolarHBondContact O-N 3.23Å; L47-T50 PolarHBondContact O-N 2.93Å; L47-N51 WeakPolarHBondContact O-CB 3.3Å; L47-N51 PolarHBondContact O-N 2.83Å; L47-N51 PolarHBondContact O-ND2 3.47Å
48F82.8Confident78.4Confident3 Ų372.1 Ų72.11%0.01338%0.381CS..Hα-helixtrans-53.2-52.3174165.7-101.8000111.7E44 L45 T50 N51 E52 L289 I293 P367 E369 F370E44-F48 WeakPolarHBondContact O-CB 3.41Å; E44-F48 PolarHBondContact O-N 3.33Å; L45-F48 HydrophobicContact CD1-CD1 4.22Å; L45-F48 WeakPolarHBondContact O-CB 3.11Å; L45-F48 PolarHBondContact O-N 2.78Å; F48-T50 VanDerWaalsContact C-N 3.28Å; F48-T50 PolarHBondContact O-N 2.91Å; F48-N51 PolarHBondContact O-N 3.45Å; F48-E52 HydrophobicContact CD2-CG 3.98Å; F48-E52 HydrophobicContact CE1-CG 4.32Å; F48-E52 HydrophobicContact CE2-CB 4.46Å; F48-E52 HydrophobicContact CE2-CG 3.27Å; F48-E52 HydrophobicContact CZ-CB 4.38Å; F48-E52 HydrophobicContact CZ-CG 3.48Å; F48-E52 VanDerWaalsContact CZ-CG 3.48Å; F48-E52 PolarHBondContact O-N 3.47Å; F48-L289 HydrophobicContact CD1-CD1 3.37Å; F48-L289 HydrophobicContact CE1-CD1 3.39Å; F48-L289 HydrophobicContact CG-CD1 4.26Å; F48-L289 HydrophobicContact CZ-CD1 4.28Å; F48-I293 HydrophobicContact CE1-CD1 3.96Å; F48-I293 HydrophobicContact CE1-CG1 4.15Å; F48-I293 HydrophobicContact CZ-CD1 4.33Å; F48-P367 HydrophobicContact CD2-CB 4.06Å; F48-P367 HydrophobicContact CE2-CB 3.69Å; F48-P367 HydrophobicContact CE2-CG 3.73Å; F48-E369 HydrophobicContact CB-CB 4.3Å; F48-E369 HydrophobicContact CB-CG 3.89Å; F48-E369 HydrophobicContact CD2-CB 4.31Å; F48-E369 HydrophobicContact CD2-CG 4.36Å; F48-E369 WeakPolarHBondContact CD2-OE2 3.28Å; F48-E369 HydrophobicContact CG-CB 4.45Å; F48-E369 HydrophobicContact CG-CG 4.46Å; F48-F370 HydrophobicContact CD2-CE2 4.4Å; F48-F370 HydrophobicContact CE1-CE2 4.22Å; F48-F370 HydrophobicContact CE2-CD2 4.19Å; F48-F370 AromaticContact CE2-CE2 3.56Å; F48-F370 HydrophobicContact CE2-CE2 3.56Å; F48-F370 HydrophobicContact CZ-CD2 4.47Å; F48-F370 AromaticContact CZ-CE2 3.45Å; F48-F370 HydrophobicContact CZ-CE2 3.45Å; F48-F370 VanDerWaalsContact CZ-CE2 3.45Å; F48-F370 HydrophobicContact CZ-CZ 4.07Å
49I81.7Confident80.3Confident28 Ų2870.5 Ų70.514%0.14438%0.384CS..Hα-helixtrans-59.6-42.7-179.7-69.7169.5000110.5L45 L47 L53 Q292 F296L45-I49 HydrophobicContact CD1-CD1 4.23Å; L45-I49 HydrophobicContact CD1-CG1 4.43Å; L45-I49 HydrophobicContact CG-CD1 4.36Å; L45-I49 VanDerWaalsContact O-CG1 3.32Å; L45-I49 WeakPolarHBondContact O-CG1 3.47Å; L45-I49 PolarHBondContact O-N 3.5Å; L47-I49 PolarHBondContact O-N 3.23Å; I49-L53 HydrophobicContact CG2-CD1 3.66Å; I49-L53 HydrophobicContact CG2-CG 4.19Å; I49-L53 VanDerWaalsContact O-CB 3.29Å; I49-L53 WeakPolarHBondContact O-CB 3.19Å; I49-L53 WeakPolarHBondContact O-CG 3.43Å; I49-L53 PolarHBondContact O-N 3.44Å; I49-Q292 HydrophobicContact CD1-CB 4.2Å; I49-Q292 VanDerWaalsContact CD1-OE1 3.23Å; I49-F296 HydrophobicContact CD1-CE2 4.21Å
50T85.1Confident81.8Confident87 Ų8775 Ų7553%0.53440%0.404SS..Hα-helixtrans-63.8-45.6179.7-59.40000111.5A46 L47 F48 S54A46-T50 WeakPolarHBondContact O-CB 3.39Å; A46-T50 PolarHBondContact O-N 3.24Å; A46-T50 PolarHBondContact O-OG1 3.43Å; L47-T50 PolarHBondContact O-N 2.93Å; F48-T50 VanDerWaalsContact C-N 3.28Å; F48-T50 PolarHBondContact O-N 2.91Å; T50-S54 VanDerWaalsContact O-CB 3.31Å; T50-S54 WeakPolarHBondContact O-CB 3.26Å; T50-S54 PolarHBondContact O-N 3.5Å
51N87.8Confident83.5Confident81 Ų8167.7 Ų67.743%0.43338%0.379SS..Hα-helixtrans-63.9-46.6178.8-72.5-20.5000111.5L47 F48 S54 R55L47-N51 WeakPolarHBondContact O-CB 3.3Å; L47-N51 PolarHBondContact O-N 2.83Å; L47-N51 PolarHBondContact O-ND2 3.47Å; F48-N51 PolarHBondContact O-N 3.45Å; N51-S54 PolarHBondContact O-N 3.39Å; N51-R55 WeakPolarHBondContact O-CB 3.37Å; N51-R55 PolarHBondContact O-N 3.34Å
52E86.3Confident85.1Confident26 Ų2665.5 Ų65.512%0.12137%0.371CS..Hα-helixtrans-65.6-44.4178.2-77.7-54.4131.800112.1F48 S54 R55 L56 L242F48-E52 HydrophobicContact CD2-CG 3.98Å; F48-E52 HydrophobicContact CE1-CG 4.32Å; F48-E52 HydrophobicContact CE2-CB 4.46Å; F48-E52 HydrophobicContact CE2-CG 3.27Å; F48-E52 HydrophobicContact CZ-CB 4.38Å; F48-E52 HydrophobicContact CZ-CG 3.48Å; F48-E52 VanDerWaalsContact CZ-CG 3.48Å; F48-E52 PolarHBondContact O-N 3.47Å; E52-S54 VanDerWaalsContact C-N 3.32Å; E52-S54 PolarHBondContact O-N 3.26Å; E52-R55 PolarHBondContact O-N 2.69Å; E52-R55 IonicContact OE1-NE 3.16Å; E52-R55 IonicContact OE2-CZ 3.36Å; E52-R55 IonicContact OE2-NE 2.69Å; E52-R55 PolarHBondContact OE2-NE 3.36Å; E52-R55 IonicContact OE2-NH2 2.91Å; E52-R55 PolarHBondContact OE2-NH2 2.94Å; E52-L56 WeakPolarHBondContact O-CB 3.32Å; E52-L56 WeakPolarHBondContact O-CG 3.49Å; E52-L56 PolarHBondContact O-N 2.88Å; E52-L242 HydrophobicContact CG-CD2 4.24Å
53L85.4Confident86.4Confident61 Ų6165.8 Ų65.832%0.31938%0.375SS..Hα-helixtrans-62.2-41.1176-71.8176.1000111.4I49 R55 L56 L57I49-L53 HydrophobicContact CG2-CD1 3.66Å; I49-L53 HydrophobicContact CG2-CG 4.19Å; I49-L53 VanDerWaalsContact O-CB 3.29Å; I49-L53 WeakPolarHBondContact O-CB 3.19Å; I49-L53 WeakPolarHBondContact O-CG 3.43Å; I49-L53 PolarHBondContact O-N 3.44Å; L53-R55 VanDerWaalsContact C-N 3.34Å; L53-R55 PolarHBondContact O-N 3.28Å; L53-L56 PolarHBondContact O-N 3.12Å; L53-L57 WeakPolarHBondContact O-CB 3.36Å; L53-L57 VanDerWaalsContact O-CG 3.23Å; L53-L57 WeakPolarHBondContact O-CG 3.21Å; L53-L57 PolarHBondContact O-N 2.67Å
54S88.3Confident87.5Confident84 Ų8462.9 Ų62.959%0.58736%0.355SS*.Hα-helixtrans-61.8-41.4175.9-172.20000112T50 N51 E52 L57T50-S54 VanDerWaalsContact O-CB 3.31Å; T50-S54 WeakPolarHBondContact O-CB 3.26Å; T50-S54 PolarHBondContact O-N 3.5Å; N51-S54 PolarHBondContact O-N 3.39Å; E52-S54 VanDerWaalsContact C-N 3.32Å; E52-S54 PolarHBondContact O-N 3.26Å; S54-L57 PolarHBondContact O-N 2.84Å
55R89.5Confident88.6Confident106 Ų10662.8 Ų62.840%0.436%0.355SS..Hα-helixtrans-63.5-43.5175.6-174.8-172.767.477.7-1.2111.4N51 E52 L53 L57 S58 I61N51-R55 WeakPolarHBondContact O-CB 3.37Å; N51-R55 PolarHBondContact O-N 3.34Å; E52-R55 PolarHBondContact O-N 2.69Å; E52-R55 IonicContact OE1-NE 3.16Å; E52-R55 IonicContact OE2-CZ 3.36Å; E52-R55 IonicContact OE2-NE 2.69Å; E52-R55 PolarHBondContact OE2-NE 3.36Å; E52-R55 IonicContact OE2-NH2 2.91Å; E52-R55 PolarHBondContact OE2-NH2 2.94Å; L53-R55 VanDerWaalsContact C-N 3.34Å; L53-R55 PolarHBondContact O-N 3.28Å; R55-L57 VanDerWaalsContact C-N 3.27Å; R55-L57 PolarHBondContact O-N 3.01Å; R55-S58 VanDerWaalsContact O-CB 3.22Å; R55-S58 WeakPolarHBondContact O-CB 3.35Å; R55-S58 PolarHBondContact O-N 3.39Å; R55-I61 WeakPolarHBondContact O-CD1 3.45Å
56L91.1Very high89.6Confident2 Ų266.4 Ų66.41%0.0137%0.374CS..Hα-helixtrans-73.2-17.5-178.3-69172.9000113.5E52 L53 S58 L242 L303 D304E52-L56 WeakPolarHBondContact O-CB 3.32Å; E52-L56 WeakPolarHBondContact O-CG 3.49Å; E52-L56 PolarHBondContact O-N 2.88Å; L53-L56 PolarHBondContact O-N 3.12Å; L56-S58 VanDerWaalsContact C-N 3.27Å; L56-L242 HydrophobicContact CD1-CD1 4.34Å; L56-L303 HydrophobicContact CB-CB 3.91Å; L56-L303 WeakPolarHBondContact CD2-O 3.43Å; L56-D304 HydrophobicContact CD1-CB 3.88Å; L56-D304 HydrophobicContact CD2-CB 4.17Å
57L89.6Confident90.5Very high119 Ų11965 Ų6562%0.62336%0.36SS*.THydrogen-bonded Turntrans-85.15.5171.3-72.3170.1000113.3L53 S54 R55 L303L53-L57 WeakPolarHBondContact O-CB 3.36Å; L53-L57 VanDerWaalsContact O-CG 3.23Å; L53-L57 WeakPolarHBondContact O-CG 3.21Å; L53-L57 PolarHBondContact O-N 2.67Å; S54-L57 PolarHBondContact O-N 2.84Å; R55-L57 VanDerWaalsContact C-N 3.27Å; R55-L57 PolarHBondContact O-N 3.01Å; L57-L303 HydrophobicContact CD2-CD1 3.81Å; L57-L303 HydrophobicContact CD2-CD2 4.28Å; L57-L303 HydrophobicContact CG-CD1 4.26Å
58S90Very high91.2Very high42 Ų4261 Ų6129%0.29434%0.342SS..  trans-57.7133.1177.3-179.70000111.4R55 L56 D60 I61R55-S58 VanDerWaalsContact O-CB 3.22Å; R55-S58 WeakPolarHBondContact O-CB 3.35Å; R55-S58 PolarHBondContact O-N 3.39Å; L56-S58 VanDerWaalsContact C-N 3.27Å; S58-D60 PolarHBondContact O-N 2.67Å; S58-D60 VanDerWaalsContact O-N 3.16Å; S58-D60 PolarHBondContact OG-N 3.01Å; S58-I61 PolarHBondContact O-N 3.12Å; S58-I61 VanDerWaalsContact O-N 3.12Å
59P89.3Confident91.9Very high125 Ų12565.8 Ų65.881%0.81237%0.368SS*.THydrogen-bonded Turntrans-65.5-16.1179.328.1-35.7000113.7I61P59-I61 VanDerWaalsContact C-N 3.27Å
60D92Very high92.6Very high144 Ų14468.1 Ų68.177%0.7738%0.383SS*.THydrogen-bonded Turntrans-78.2-12.1177.4-61.5-35.4000112.8S58 P62S58-D60 PolarHBondContact O-N 2.67Å; S58-D60 VanDerWaalsContact O-N 3.16Å; S58-D60 PolarHBondContact OG-N 3.01Å; D60-P62 WeakPolarHBondContact O-CD 3.31Å
61I93.8Very high93.2Very high37 Ų3764.8 Ų64.819%0.1936%0.363CS..SBendtrans-82.3115.8176.6-65.4170.4000108.3R55 S58 P59 N307R55-I61 WeakPolarHBondContact O-CD1 3.45Å; S58-I61 PolarHBondContact O-N 3.12Å; S58-I61 VanDerWaalsContact O-N 3.12Å; P59-I61 VanDerWaalsContact C-N 3.27Å; I61-N307 HydrophobicContact CG2-CB 4.37Å
62P96.1Very high93.6Very high56 Ų5663 Ų6336%0.36436%0.355SS..  trans-65.2156.5179.727.2-35000111.8D60 D66 V67 N307D60-P62 WeakPolarHBondContact O-CD 3.31Å; P62-D66 HydrophobicContact CB-CB 4.34Å; P62-V67 HydrophobicContact CB-CG2 4Å; P62-V67 HydrophobicContact CG-CG2 3.61Å; P62-N307 WeakPolarHBondContact CD-O 3.15Å; P62-N307 HydrophobicContact CG-CB 4.36Å; P62-N307 WeakPolarHBondContact O-CB 3.33Å; P62-N307 PolarHBondContact O-ND2 3.34Å
63T96.7Very high94.1Very high64 Ų6469.8 Ų69.839%0.39338%0.379SS..  trans-68.2157.5174.2700000111E65 D66 V67T63-E65 PolarHBondContact O-N 2.69Å; T63-D66 PolarHBondContact O-N 3.45Å; T63-D66 PolarHBondContact OG1-N 2.86Å; T63-D66 VanDerWaalsContact OG1-N 3.09Å; T63-D66 PolarHBondContact OG1-OD2 2.66Å; T63-V67 WeakPolarHBondContact O-CG2 3.19Å; T63-V67 PolarHBondContact O-N 3.05Å; T63-V67 VanDerWaalsContact O-N 3.08Å
64V97.7Very high94.6Very high7 Ų769.6 Ų69.64%0.04239%0.387CS..Hα-helixtrans-56.5-38.1174.7-179.20000110.6G68 L234 N237 R302V64-G68 PolarHBondContact O-N 2.87Å; V64-L234 VanDerWaalsContact CG1-O 3.29Å; V64-L234 WeakPolarHBondContact CG1-O 3.33Å; V64-N237 HydrophobicContact CG1-CB 4.06Å; V64-N237 HydrophobicContact CG2-CB 3.83Å; V64-R302 HydrophobicContact CG2-CB 4.09Å; V64-R302 HydrophobicContact CG2-CG 4.43Å; V64-R302 WeakPolarHBondContact CG2-O 3.23Å
65E97.9Very high95Very high89 Ų8967.3 Ų67.342%0.41637%0.365SS..Hα-helixtrans-65-47.2177.8-67.271.8-158.800111.8T63 V67 G68 D69 R302T63-E65 PolarHBondContact O-N 2.69Å; E65-V67 VanDerWaalsContact C-N 3.32Å; E65-V67 PolarHBondContact O-N 3.11Å; E65-G68 WeakPolarHBondContact O-CA 3.15Å; E65-G68 PolarHBondContact O-N 2.81Å; E65-G68 VanDerWaalsContact O-N 3.13Å; E65-D69 PolarHBondContact O-N 2.87Å; E65-R302 IonicContact OE1-CZ 3.95Å; E65-R302 VanDerWaalsContact OE1-CZ 3.24Å; E65-R302 IonicContact OE1-NH1 2.68Å; E65-R302 PolarHBondContact OE1-NH1 3.39Å; E65-R302 IonicContact OE1-NH2 3.33Å; E65-R302 PolarHBondContact OE1-NH2 3.48Å; E65-R302 IonicContact OE2-CZ 2.77Å; E65-R302 IonicContact OE2-NH1 3.19Å; E65-R302 IonicContact OE2-NH2 3.32Å; E65-R302 PolarHBondContact OE2-NH2 3.19Å
66D97.8Very high95.3Very high87 Ų8768.2 Ų68.247%0.46537%0.372SS..Hα-helixtrans-63-39179.3-66.1-42.9000112.3P62 T63 T70P62-D66 HydrophobicContact CB-CB 4.34Å; T63-D66 PolarHBondContact O-N 3.45Å; T63-D66 PolarHBondContact OG1-N 2.86Å; T63-D66 VanDerWaalsContact OG1-N 3.09Å; T63-D66 PolarHBondContact OG1-OD2 2.66Å; D66-T70 WeakPolarHBondContact O-CB 3.09Å; D66-T70 PolarHBondContact O-N 2.81Å; D66-T70 PolarHBondContact O-OG1 3.01Å
67V98Very high95.5Very high22 Ų2275 Ų7513%0.13340%0.401CS..Hα-helixtrans-64.1-46.9173.1173.50000110.2P62 T63 E65 D69 T70 V71 I306 N307P62-V67 HydrophobicContact CB-CG2 4Å; P62-V67 HydrophobicContact CG-CG2 3.61Å; T63-V67 WeakPolarHBondContact O-CG2 3.19Å; T63-V67 PolarHBondContact O-N 3.05Å; T63-V67 VanDerWaalsContact O-N 3.08Å; E65-V67 VanDerWaalsContact C-N 3.32Å; E65-V67 PolarHBondContact O-N 3.11Å; V67-D69 PolarHBondContact O-N 2.96Å; V67-T70 PolarHBondContact O-N 2.9Å; V67-V71 HydrophobicContact CG1-CG2 4.44Å; V67-V71 WeakPolarHBondContact O-CG2 3.49Å; V67-V71 PolarHBondContact O-N 3.06Å; V67-I306 HydrophobicContact CG1-CG2 3.92Å; V67-N307 HydrophobicContact CG2-CB 3.69Å
68G97.7Very high95.8Very high12 Ų1271 Ų7112%0.12438%0.38CS..Hα-helixtrans-55.6-49.7176.800000112.4V64 E65 T70 V71 V72V64-G68 PolarHBondContact O-N 2.87Å; E65-G68 WeakPolarHBondContact O-CA 3.15Å; E65-G68 PolarHBondContact O-N 2.81Å; E65-G68 VanDerWaalsContact O-N 3.13Å; G68-T70 VanDerWaalsContact C-N 3.34Å; G68-T70 PolarHBondContact O-N 3.1Å; G68-V71 PolarHBondContact O-N 3.4Å; G68-V72 WeakPolarHBondContact O-CB 3.45Å; G68-V72 VanDerWaalsContact O-CG2 3.23Å; G68-V72 WeakPolarHBondContact O-CG2 3.49Å; G68-V72 PolarHBondContact O-N 2.49Å
69D98Very high96.1Very high102 Ų10270.2 Ų70.255%0.54537%0.371SS..Hα-helixtrans-65.2-36.9179.7-81.4-6.5000112.5E65 V67 R73E65-D69 PolarHBondContact O-N 2.87Å; V67-D69 PolarHBondContact O-N 2.96Å; D69-R73 WeakPolarHBondContact O-CB 3.26Å; D69-R73 VanDerWaalsContact O-CG 3.28Å; D69-R73 WeakPolarHBondContact O-CG 3.36Å; D69-R73 PolarHBondContact O-N 3.27Å; D69-R73 VanDerWaalsContact O-N 3.09Å; D69-R73 PolarHBondContact O-NE 3.17Å
70T97.4Very high96.3Very high77 Ų7771.6 Ų71.647%0.47237%0.365SS..Hα-helixtrans-65.6-47.9175.8-62.10000111.1D66 V67 G68 R73 A74D66-T70 WeakPolarHBondContact O-CB 3.09Å; D66-T70 PolarHBondContact O-N 2.81Å; D66-T70 PolarHBondContact O-OG1 3.01Å; V67-T70 PolarHBondContact O-N 2.9Å; G68-T70 VanDerWaalsContact C-N 3.34Å; G68-T70 PolarHBondContact O-N 3.1Å; T70-R73 PolarHBondContact O-N 2.9Å; T70-A74 PolarHBondContact O-N 3.13Å; T70-A74 VanDerWaalsContact O-N 3.09Å
71V97.3Very high96.5Very high18 Ų1868.8 Ų68.811%0.10935%0.347CS..Hα-helixtrans-63.7-45.2178170.80000111.3V67 G68 R73 A74 W75 L172 L234V67-V71 HydrophobicContact CG1-CG2 4.44Å; V67-V71 WeakPolarHBondContact O-CG2 3.49Å; V67-V71 PolarHBondContact O-N 3.06Å; G68-V71 PolarHBondContact O-N 3.4Å; V71-R73 PolarHBondContact O-N 2.85Å; V71-A74 PolarHBondContact O-N 3.2Å; V71-W75 VanDerWaalsContact O-CB 3.31Å; V71-W75 WeakPolarHBondContact O-CB 3.27Å; V71-W75 PolarHBondContact O-N 3.39Å; V71-L172 HydrophobicContact CB-CD1 4.44Å; V71-L172 HydrophobicContact CG1-CD1 3.57Å; V71-L172 HydrophobicContact CG1-CD2 4.12Å; V71-L172 HydrophobicContact CG2-CD1 4.1Å; V71-L234 HydrophobicContact CB-CD1 3.93Å; V71-L234 HydrophobicContact CB-CD2 4.07Å; V71-L234 HydrophobicContact CG1-CD1 3.66Å; V71-L234 HydrophobicContact CG1-CD2 4.06Å; V71-L234 HydrophobicContact CG1-CG 4.43Å; V71-L234 HydrophobicContact CG2-CD2 4.01Å
72V96.5Very high96.5Very high43 Ų4367.1 Ų67.126%0.26134%0.338SS..Hα-helixtrans-62.6-42.2-179.2168.70000111.5G68 W75 F76 L234G68-V72 WeakPolarHBondContact O-CB 3.45Å; G68-V72 VanDerWaalsContact O-CG2 3.23Å; G68-V72 WeakPolarHBondContact O-CG2 3.49Å; G68-V72 PolarHBondContact O-N 2.49Å; V72-W75 WeakPolarHBondContact O-CB 3.44Å; V72-W75 PolarHBondContact O-N 2.89Å; V72-F76 HydrophobicContact CG1-CD2 3.82Å; V72-F76 HydrophobicContact CG1-CE2 3.6Å; V72-F76 VanDerWaalsContact O-CD2 3.25Å; V72-F76 WeakPolarHBondContact O-CD2 3.46Å; V72-F76 PolarHBondContact O-N 3.35Å; V72-F76 VanDerWaalsContact O-N 3.11Å; V72-L234 HydrophobicContact CG2-CD1 4.27Å
73R96.3Very high96.5Very high169 Ų16965.2 Ų65.264%0.63833%0.326SS*.Hα-helixtrans-63.2-45.4175.8-75.4-177.3-66.3164.3-1.2112D69 T70 V71 W75 F76 K77D69-R73 WeakPolarHBondContact O-CB 3.26Å; D69-R73 VanDerWaalsContact O-CG 3.28Å; D69-R73 WeakPolarHBondContact O-CG 3.36Å; D69-R73 PolarHBondContact O-N 3.27Å; D69-R73 VanDerWaalsContact O-N 3.09Å; D69-R73 PolarHBondContact O-NE 3.17Å; T70-R73 PolarHBondContact O-N 2.9Å; V71-R73 PolarHBondContact O-N 2.85Å; R73-W75 VanDerWaalsContact C-N 3.31Å; R73-W75 PolarHBondContact O-N 3.26Å; R73-F76 PolarHBondContact O-N 2.93Å; R73-K77 PolarHBondContact O-N 3.34Å
74A96.1Very high96.4Very high57 Ų5766.9 Ų66.947%0.47133%0.332SS..Hα-helixtrans-61.2-42.3176.700000111.4T70 V71 K77 H78T70-A74 PolarHBondContact O-N 3.13Å; T70-A74 VanDerWaalsContact O-N 3.09Å; V71-A74 PolarHBondContact O-N 3.2Å; A74-K77 PolarHBondContact O-N 2.82Å; A74-H78 WeakPolarHBondContact O-CB 3Å; A74-H78 PolarHBondContact O-N 2.93Å
75W96.9Very high96.3Very high35 Ų3571 Ų7113%0.13335%0.349CS..Hα-helixtrans-59-48.6178.5-173.496.8000112.5V71 V72 R73 K77 H78 E79 P176 F177 H178 L230V71-W75 VanDerWaalsContact O-CB 3.31Å; V71-W75 WeakPolarHBondContact O-CB 3.27Å; V71-W75 PolarHBondContact O-N 3.39Å; V72-W75 WeakPolarHBondContact O-CB 3.44Å; V72-W75 PolarHBondContact O-N 2.89Å; R73-W75 VanDerWaalsContact C-N 3.31Å; R73-W75 PolarHBondContact O-N 3.26Å; W75-K77 VanDerWaalsContact C-N 3.34Å; W75-K77 PolarHBondContact O-N 2.79Å; W75-H78 PolarHBondContact O-N 2.87Å; W75-E79 HydrophobicContact CE3-CB 4.37Å; W75-E79 HydrophobicContact CH2-CB 4.39Å; W75-E79 HydrophobicContact CH2-CG 4.2Å; W75-E79 HydrophobicContact CZ3-CB 4.15Å; W75-E79 HydrophobicContact CZ3-CG 4.25Å; W75-E79 WeakPolarHBondContact O-CB 3.32Å; W75-E79 PolarHBondContact O-N 3.43Å; W75-P176 PolarHBondContact NE1-O 2.96Å; W75-F177 PolarHBondContact NE1-O 3.05Å; W75-H178 AromaticContact CH2-NE2 3.82Å; W75-H178 AromaticContact CZ2-CD2 3.7Å; W75-H178 AromaticContact CZ2-NE2 3.65Å; W75-L230 HydrophobicContact CG-CD1 4.47Å
76F95.4Very high96.2Very high126 Ų12666.9 Ų66.955%0.55333%0.33SS*.Hα-helixtrans-64.1-38.4179.6-82.6-64.9000112.9V72 R73 K80V72-F76 HydrophobicContact CG1-CD2 3.82Å; V72-F76 HydrophobicContact CG1-CE2 3.6Å; V72-F76 VanDerWaalsContact O-CD2 3.25Å; V72-F76 WeakPolarHBondContact O-CD2 3.46Å; V72-F76 PolarHBondContact O-N 3.35Å; V72-F76 VanDerWaalsContact O-N 3.11Å; R73-F76 PolarHBondContact O-N 2.93Å; F76-K80 PolarHBondContact O-N 3.09Å
77K95.4Very high96Very high143 Ų14365.5 Ų65.562%0.62232%0.322SS*.Hα-helixtrans-62.7-48.6174.3-177.4-175.8175.4-172.90110.4R73 A74 W75 E79 K80 E81R73-K77 PolarHBondContact O-N 3.34Å; A74-K77 PolarHBondContact O-N 2.82Å; W75-K77 VanDerWaalsContact C-N 3.34Å; W75-K77 PolarHBondContact O-N 2.79Å; K77-E79 VanDerWaalsContact C-N 3.31Å; K77-E79 PolarHBondContact O-N 2.98Å; K77-K80 PolarHBondContact O-N 2.93Å; K77-E81 PolarHBondContact O-N 3.44Å
78H95.7Very high95.9Very high36 Ų3670.3 Ų70.317%0.16735%0.348CS..Hα-helixtrans-64.6-36.6-179.1-16842.2000112A74 W75 K80 E81 F82 L172 P176A74-H78 WeakPolarHBondContact O-CB 3Å; A74-H78 PolarHBondContact O-N 2.93Å; W75-H78 PolarHBondContact O-N 2.87Å; H78-K80 PolarHBondContact O-N 3.21Å; H78-E81 PolarHBondContact O-N 3.09Å; H78-F82 WeakPolarHBondContact O-CB 3.03Å; H78-F82 PolarHBondContact O-N 3.47Å; H78-L172 PolarHBondContact CD2-O 3.35Å; H78-L172 VanDerWaalsContact CD2-O 3.23Å; H78-P176 HydrophobicContact CB-CB 4.46Å
79E95.3Very high95.4Very high26 Ų2671.3 Ų71.312%0.12136%0.357CS..Hα-helixtrans-58-46.8177.8175.56416300112.9W75 K77 E81 F82 C83 R113 P176W75-E79 HydrophobicContact CE3-CB 4.37Å; W75-E79 HydrophobicContact CH2-CB 4.39Å; W75-E79 HydrophobicContact CH2-CG 4.2Å; W75-E79 HydrophobicContact CZ3-CB 4.15Å; W75-E79 HydrophobicContact CZ3-CG 4.25Å; W75-E79 WeakPolarHBondContact O-CB 3.32Å; W75-E79 PolarHBondContact O-N 3.43Å; K77-E79 VanDerWaalsContact C-N 3.31Å; K77-E79 PolarHBondContact O-N 2.98Å; E79-E81 PolarHBondContact O-N 2.93Å; E79-F82 PolarHBondContact O-N 3.11Å; E79-C83 WeakPolarHBondContact O-CB 2.95Å; E79-C83 PolarHBondContact O-N 2.88Å; E79-R113 VanDerWaalsContact CD-CZ 3.48Å; E79-R113 IonicContact OE1-CZ 2.97Å; E79-R113 IonicContact OE1-NH1 2.8Å; E79-R113 PolarHBondContact OE1-NH1 3.35Å; E79-R113 IonicContact OE1-NH2 3.95Å; E79-R113 PolarHBondContact OE1-NH2 3.36Å; E79-R113 IonicContact OE2-CZ 2.66Å; E79-R113 IonicContact OE2-NE 2.79Å; E79-R113 IonicContact OE2-NH1 3.84Å; E79-R113 PolarHBondContact OE2-NH1 2.85Å; E79-R113 IonicContact OE2-NH2 3.55Å; E79-R113 PolarHBondContact OE2-NH2 3.29Å; E79-P176 HydrophobicContact CB-CB 4.2Å; E79-P176 HydrophobicContact CB-CG 4.43Å; E79-P176 WeakPolarHBondContact OE2-CG 3.47Å
80K94.6Very high95Very high154 Ų15470.4 Ų70.467%0.6736%0.356SS*.Hα-helixtrans-60.1-47.4179-174.4179.6-180-179.20111.3F76 K77 H78 L84F76-K80 PolarHBondContact O-N 3.09Å; K77-K80 PolarHBondContact O-N 2.93Å; H78-K80 PolarHBondContact O-N 3.21Å; K80-L84 HydrophobicContact CG-CD1 4.3Å; K80-L84 WeakPolarHBondContact O-CD1 3.44Å; K80-L84 VanDerWaalsContact O-CG 3.24Å; K80-L84 WeakPolarHBondContact O-CG 3.42Å; K80-L84 PolarHBondContact O-N 2.79Å
81E95.1Very high94.4Very high84 Ų8469.6 Ų69.639%0.39334%0.344SS..Hα-helixtrans-66.8-41.4179.6-66.8178.7-165.600112.1K77 H78 E79 K85K77-E81 PolarHBondContact O-N 3.44Å; H78-E81 PolarHBondContact O-N 3.09Å; E79-E81 PolarHBondContact O-N 2.93Å; E81-K85 WeakPolarHBondContact O-CG 3.4Å; E81-K85 PolarHBondContact O-N 3.45Å
82F95.4Very high93.8Very high3 Ų376.5 Ų76.51%0.01338%0.375CS..Hα-helixtrans-59.6-53177.9175.7-92.5000110.8H78 E79 L84 K85 V86 F94 L175 P176H78-F82 WeakPolarHBondContact O-CB 3.03Å; H78-F82 PolarHBondContact O-N 3.47Å; E79-F82 PolarHBondContact O-N 3.11Å; F82-L84 PolarHBondContact O-N 3.21Å; F82-K85 PolarHBondContact O-N 3.28Å; F82-V86 HydrophobicContact CD1-CG2 4.18Å; F82-V86 HydrophobicContact CD2-CG2 4.45Å; F82-V86 HydrophobicContact CE1-CG2 3.74Å; F82-V86 HydrophobicContact CE2-CG2 4.05Å; F82-V86 HydrophobicContact CG-CG2 4.5Å; F82-V86 HydrophobicContact CZ-CG2 3.67Å; F82-V86 WeakPolarHBondContact O-CG2 3.21Å; F82-V86 PolarHBondContact O-N 2.68Å; F82-F94 HydrophobicContact CE2-CB 4.07Å; F82-F94 AromaticContact CE2-CD2 3.8Å; F82-F94 HydrophobicContact CE2-CD2 3.8Å; F82-F94 HydrophobicContact CE2-CE2 4.4Å; F82-F94 AromaticContact CE2-CG 3.92Å; F82-F94 HydrophobicContact CE2-CG 3.92Å; F82-F94 HydrophobicContact CZ-CB 4.1Å; F82-F94 HydrophobicContact CZ-CG 4.27Å; F82-L175 HydrophobicContact CD2-CD1 4.4Å; F82-L175 HydrophobicContact CE1-CD1 4.46Å; F82-L175 HydrophobicContact CE2-CD1 3.52Å; F82-L175 HydrophobicContact CZ-CD1 3.56Å; F82-P176 HydrophobicContact CB-CG 3.66Å; F82-P176 HydrophobicContact CD1-CG 3.88Å; F82-P176 HydrophobicContact CD2-CG 4.18Å; F82-P176 HydrophobicContact CG-CG 3.63Å
83C95.5Very high93.4Very high16 Ų1676.9 Ų76.911%0.10838%0.375CS..Hα-helixtrans-68.9-34.5-175.7-75.90000113.7E79 K85 V86 L87 C103E79-C83 WeakPolarHBondContact O-CB 2.95Å; E79-C83 PolarHBondContact O-N 2.88Å; C83-K85 VanDerWaalsContact C-N 3.32Å; C83-K85 PolarHBondContact O-N 3.01Å; C83-V86 PolarHBondContact O-N 2.93Å; C83-L87 WeakPolarHBondContact O-CB 3.07Å; C83-L87 WeakPolarHBondContact O-CG 3.42Å; C83-L87 PolarHBondContact O-N 3.15Å; C83-C103 WeakPolarHBondContact CA-SG 3.4Å; C83-C103 HydrophobicContact CB-CB 3.63Å; C83-C103 WeakPolarHBondContact CB-SG 3.45Å; C83-C103 WeakPolarHBondContact SG-CA 3.49Å; C83-C103 WeakPolarHBondContact SG-CB 3.47Å; C83-C103 CovalentContact SG-SG 2.05Å; C83-C103 PolarHBondContact SG-SG 2.78Å
84L95.5Very high93.2Very high98 Ų9869 Ų6951%0.51335%0.345SS..Hα-helixtrans-58.3-45.4170.9-73.6170.2000111.5K80 F82 N88K80-L84 HydrophobicContact CG-CD1 4.3Å; K80-L84 WeakPolarHBondContact O-CD1 3.44Å; K80-L84 VanDerWaalsContact O-CG 3.24Å; K80-L84 WeakPolarHBondContact O-CG 3.42Å; K80-L84 PolarHBondContact O-N 2.79Å; F82-L84 PolarHBondContact O-N 3.21Å; L84-N88 WeakPolarHBondContact O-CB 3.37Å; L84-N88 VanDerWaalsContact O-CG 3.27Å; L84-N88 PolarHBondContact O-N 3.2Å; L84-N88 PolarHBondContact O-ND2 3.37Å
85K95.6Very high92.8Very high94 Ų9471.3 Ų71.341%0.40935%0.35SS..Hα-helixtrans-70.1-39.6-178.8-67.9173.9-179.5171.80112.6E81 F82 C83 G89 T90 R91E81-K85 WeakPolarHBondContact O-CG 3.4Å; E81-K85 PolarHBondContact O-N 3.45Å; F82-K85 PolarHBondContact O-N 3.28Å; C83-K85 VanDerWaalsContact C-N 3.32Å; C83-K85 PolarHBondContact O-N 3.01Å; K85-G89 PolarHBondContact O-N 3.11Å; K85-T90 WeakPolarHBondContact CA-OG1 3.5Å; K85-T90 PolarHBondContact O-N 3.02Å; K85-T90 PolarHBondContact O-OG1 3.16Å; K85-R91 HydrophobicContact CB-CB 3.91Å; K85-R91 PolarHBondContact O-N 3.17Å
86V94.7Very high92.4Very high3 Ų372.1 Ų72.12%0.01836%0.361CS..Hα-helixtrans-66.1-48.2177.2170.20000111.2F82 C83 N88 G89 R91 F94 C99F82-V86 HydrophobicContact CD1-CG2 4.18Å; F82-V86 HydrophobicContact CD2-CG2 4.45Å; F82-V86 HydrophobicContact CE1-CG2 3.74Å; F82-V86 HydrophobicContact CE2-CG2 4.05Å; F82-V86 HydrophobicContact CG-CG2 4.5Å; F82-V86 HydrophobicContact CZ-CG2 3.67Å; F82-V86 WeakPolarHBondContact O-CG2 3.21Å; F82-V86 PolarHBondContact O-N 2.68Å; C83-V86 PolarHBondContact O-N 2.93Å; V86-N88 VanDerWaalsContact C-N 3.28Å; V86-N88 PolarHBondContact O-N 3.37Å; V86-G89 PolarHBondContact O-N 3.34Å; V86-R91 HydrophobicContact CG2-CB 3.96Å; V86-R91 HydrophobicContact CG2-CG 4.26Å; V86-F94 HydrophobicContact CG2-CB 4.33Å; V86-C99 HydrophobicContact CG1-CB 4.29Å
87L94.3Very high92.2Very high57 Ų5772.3 Ų72.330%0.29836%0.363SS..Hα-helixtrans-65.6-32.1-177.5-68.3175.1000112.9C83 G89 R100 C103 L104C83-L87 WeakPolarHBondContact O-CB 3.07Å; C83-L87 WeakPolarHBondContact O-CG 3.42Å; C83-L87 PolarHBondContact O-N 3.15Å; L87-G89 VanDerWaalsContact C-N 3.31Å; L87-R100 HydrophobicContact CD2-CG 3.95Å; L87-R100 PolarHBondContact O-NH1 3.11Å; L87-C103 HydrophobicContact CD1-CB 4.46Å; L87-C103 HydrophobicContact CD2-CB 4.29Å; L87-C103 HydrophobicContact CG-CB 4.27Å; L87-L104 HydrophobicContact CD1-CD2 4.45Å; L87-L104 HydrophobicContact CD2-CD2 3.79Å; L87-L104 HydrophobicContact CD2-CG 4.04Å
88N94.3Very high92.1Very high124 Ų12465.7 Ų65.766%0.66334%0.336SS*.THydrogen-bonded Turntrans-82-1.8173.9-68.2-11.2000113.8L84 V86 T90L84-N88 WeakPolarHBondContact O-CB 3.37Å; L84-N88 VanDerWaalsContact O-CG 3.27Å; L84-N88 PolarHBondContact O-N 3.2Å; L84-N88 PolarHBondContact O-ND2 3.37Å; V86-N88 VanDerWaalsContact C-N 3.28Å; V86-N88 PolarHBondContact O-N 3.37Å; N88-T90 VanDerWaalsContact C-N 3.28Å; N88-T90 HydrophobicContact CB-CG2 4.27Å; N88-T90 PolarHBondContact O-N 2.99Å
89G88.5Confident92Very high32 Ų3264.1 Ų64.133%0.3333%0.329SS..THydrogen-bonded Turntrans71.716.1179.800000115.1K85 V86 L87K85-G89 PolarHBondContact O-N 3.11Å; V86-G89 PolarHBondContact O-N 3.34Å; L87-G89 VanDerWaalsContact C-N 3.31Å
90T88.9Confident92Very high83 Ų8368.6 Ų68.651%0.50935%0.345SS..  trans-95.2-8.5-176.159.50000113.7K85 N88 H92K85-T90 WeakPolarHBondContact CA-OG1 3.5Å; K85-T90 PolarHBondContact O-N 3.02Å; K85-T90 PolarHBondContact O-OG1 3.16Å; N88-T90 VanDerWaalsContact C-N 3.28Å; N88-T90 HydrophobicContact CB-CG2 4.27Å; N88-T90 PolarHBondContact O-N 2.99Å; T90-H92 PolarHBondContact O-N 3.39Å
91R85.8Confident92Very high61 Ų6163.8 Ų63.823%0.2333%0.326CS..  trans-95.181.1175.1-166.470.6168.4159.6-2.7110.5K85 V86 L93 F94 N95 W174K85-R91 HydrophobicContact CB-CB 3.91Å; K85-R91 PolarHBondContact O-N 3.17Å; V86-R91 HydrophobicContact CG2-CB 3.96Å; V86-R91 HydrophobicContact CG2-CG 4.26Å; R91-L93 VanDerWaalsContact C-N 3.29Å; R91-L93 PolarHBondContact O-N 3.26Å; R91-F94 HydrophobicContact CG-CB 4.08Å; R91-F94 HydrophobicContact CG-CD2 3.87Å; R91-F94 HydrophobicContact CG-CG 4.49Å; R91-F94 CarbonylContact O-C 3.51Å; R91-F94 PolarHBondContact O-N 3.16Å; R91-N95 PolarHBondContact O-N 3Å; R91-W174 PolarHBondContact NH2-O 3.5Å
92H83.6Confident91.9Very high162 Ų16259.8 Ų59.875%0.7531%0.308SS*.G310 helixtrans-53.4-39.9-174.1-60.2-64.3000114.7T90 F94T90-H92 PolarHBondContact O-N 3.39Å; H92-F94 PolarHBondContact O-N 2.87Å
93L88.9Confident91.9Very high51 Ų5160.8 Ų60.827%0.26732%0.315SS..G310 helixtrans-65-22.9-179.8-68169.1000114.2R91 I318 L320 P355R91-L93 VanDerWaalsContact C-N 3.29Å; R91-L93 PolarHBondContact O-N 3.26Å; L93-I318 HydrophobicContact CD1-CD1 3.65Å; L93-I318 HydrophobicContact CD2-CD1 4.08Å; L93-I318 HydrophobicContact CD2-CG1 4.39Å; L93-I318 HydrophobicContact CG-CD1 4.42Å; L93-L320 HydrophobicContact CD2-CD2 4.01Å; L93-P355 HydrophobicContact CD2-CB 4.43Å
94F91.8Very high91.8Very high4 Ų464.8 Ų64.82%0.01834%0.335CS..G310 helixtrans-128.836.1-173.1-61.5-70.8000111.6F82 V86 R91 H92 S96 C99 L146 L175 P355F82-F94 HydrophobicContact CE2-CB 4.07Å; F82-F94 AromaticContact CE2-CD2 3.8Å; F82-F94 HydrophobicContact CE2-CD2 3.8Å; F82-F94 HydrophobicContact CE2-CE2 4.4Å; F82-F94 AromaticContact CE2-CG 3.92Å; F82-F94 HydrophobicContact CE2-CG 3.92Å; F82-F94 HydrophobicContact CZ-CB 4.1Å; F82-F94 HydrophobicContact CZ-CG 4.27Å; V86-F94 HydrophobicContact CG2-CB 4.33Å; R91-F94 HydrophobicContact CG-CB 4.08Å; R91-F94 HydrophobicContact CG-CD2 3.87Å; R91-F94 HydrophobicContact CG-CG 4.49Å; R91-F94 CarbonylContact O-C 3.51Å; R91-F94 PolarHBondContact O-N 3.16Å; H92-F94 PolarHBondContact O-N 2.87Å; F94-S96 PolarHBondContact O-N 3.41Å; F94-C99 HydrophobicContact CB-CB 4.34Å; F94-C99 WeakPolarHBondContact O-CB 3.31Å; F94-L146 HydrophobicContact CE1-CB 4.18Å; F94-L146 HydrophobicContact CZ-CB 4.38Å; F94-L146 HydrophobicContact CZ-CD1 4.35Å; F94-L175 HydrophobicContact CD1-CD1 4.14Å; F94-L175 HydrophobicContact CE1-CD1 3.95Å; F94-L175 HydrophobicContact CZ-CB 4.39Å; F94-L175 HydrophobicContact CZ-CD1 4.18Å; F94-P355 HydrophobicContact CD1-CG 4.44Å; F94-P355 HydrophobicContact CE1-CG 4Å
95N86.8Confident91.3Very high106 Ų10663.8 Ų63.857%0.56733%0.329SS*.  trans-88.232.7-177.8-166.129.4000113.5R91R91-N95 PolarHBondContact O-N 3Å
96S90.1Very high90.2Very high51 Ų5162 Ų6236%0.35733%0.328SS..SBendtrans-89.3157.6177.569.30000111.8F94 G98 C99 R100F94-S96 PolarHBondContact O-N 3.41Å; S96-G98 VanDerWaalsContact C-N 3.28Å; S96-G98 PolarHBondContact O-N 2.93Å; S96-C99 PolarHBondContact O-N 2.86Å; S96-C99 VanDerWaalsContact O-N 3.1Å; S96-C99 PolarHBondContact OG-N 2.93Å; S96-C99 VanDerWaalsContact OG-N 3.17Å; S96-C99 PolarHBondContact OG-SG 3.43Å; S96-C99 VanDerWaalsContact OG-SG 3.34Å; S96-R100 PolarHBondContact O-N 3.22Å
97E91.1Very high89.6Confident130 Ų13066.7 Ų66.761%0.60736%0.357SS*.Hα-helixtrans-57.8-43.1173.1-172.5-176.1172.100111.3C99 R100 N101E97-C99 VanDerWaalsContact C-N 3.3Å; E97-C99 PolarHBondContact O-N 3.42Å; E97-R100 WeakPolarHBondContact O-CB 3.26Å; E97-R100 PolarHBondContact O-N 3.09Å; E97-R100 VanDerWaalsContact O-N 3.16Å; E97-N101 WeakPolarHBondContact O-CB 3.25Å; E97-N101 PolarHBondContact O-N 2.81Å
98G92.8Very high89Confident5 Ų568 Ų685%0.05236%0.362CS..Hα-helixtrans-53.1-43.517200000113.7S96 N101 S102 N142S96-G98 VanDerWaalsContact C-N 3.28Å; S96-G98 PolarHBondContact O-N 2.93Å; G98-N101 PolarHBondContact O-N 2.8Å; G98-S102 WeakPolarHBondContact O-CB 3.33Å; G98-S102 PolarHBondContact O-N 3.28Å; G98-N142 WeakPolarHBondContact CA-O 3.23Å; G98-N142 PolarHBondContact N-OD1 2.91Å
99C94.5Very high88.3Confident2 Ų264.3 Ų64.31%0.01435%0.345CS..Hα-helixtrans-69.5-39.2176.9-70.20000113V86 F94 S96 E97 S102 C103 C144V86-C99 HydrophobicContact CG1-CB 4.29Å; F94-C99 HydrophobicContact CB-CB 4.34Å; F94-C99 WeakPolarHBondContact O-CB 3.31Å; S96-C99 PolarHBondContact O-N 2.86Å; S96-C99 VanDerWaalsContact O-N 3.1Å; S96-C99 PolarHBondContact OG-N 2.93Å; S96-C99 VanDerWaalsContact OG-N 3.17Å; S96-C99 PolarHBondContact OG-SG 3.43Å; S96-C99 VanDerWaalsContact OG-SG 3.34Å; E97-C99 VanDerWaalsContact C-N 3.3Å; E97-C99 PolarHBondContact O-N 3.42Å; C99-S102 PolarHBondContact O-N 3.09Å; C99-S102 PolarHBondContact O-OG 3.32Å; C99-C103 PolarHBondContact O-N 3.27Å; C99-C144 VanDerWaalsContact CA-CB 3.41Å; C99-C144 WeakPolarHBondContact CA-SG 3.28Å; C99-C144 HydrophobicContact CB-CB 3.8Å; C99-C144 WeakPolarHBondContact CB-SG 3.42Å; C99-C144 WeakPolarHBondContact SG-CA 3.49Å; C99-C144 WeakPolarHBondContact SG-CB 3.27Å; C99-C144 CovalentContact SG-SG 2.04Å; C99-C144 PolarHBondContact SG-SG 2.97Å
100R94.1Very high88Confident120 Ų12069.5 Ų69.545%0.45336%0.355SS..Hα-helixtrans-60.4-48.5172.8-167.7-178.717679.62.2111.2L87 S96 E97 S102 C103 L104L87-R100 HydrophobicContact CD2-CG 3.95Å; L87-R100 PolarHBondContact O-NH1 3.11Å; S96-R100 PolarHBondContact O-N 3.22Å; E97-R100 WeakPolarHBondContact O-CB 3.26Å; E97-R100 PolarHBondContact O-N 3.09Å; E97-R100 VanDerWaalsContact O-N 3.16Å; R100-S102 PolarHBondContact O-N 3.47Å; R100-C103 PolarHBondContact O-N 2.77Å; R100-C103 VanDerWaalsContact O-N 3.11Å; R100-L104 HydrophobicContact CG-CD1 4.23Å; R100-L104 WeakPolarHBondContact O-CG 3.05Å; R100-L104 PolarHBondContact O-N 3.05Å
101N93.9Very high87.8Confident53 Ų5365.7 Ų65.728%0.28333%0.332SS..Hα-helixtrans-60.7-35.8178-71.7-16.6000111.8E97 G98 C103 L104 I105E97-N101 WeakPolarHBondContact O-CB 3.25Å; E97-N101 PolarHBondContact O-N 2.81Å; G98-N101 PolarHBondContact O-N 2.8Å; N101-C103 PolarHBondContact O-N 2.78Å; N101-L104 PolarHBondContact O-N 3.5Å; N101-L104 VanDerWaalsContact O-N 3.13Å; N101-I105 PolarHBondContact O-N 2.94Å
102S94.9Very high88.2Confident0 Ų065.1 Ų65.10%033%0.33CS..Hα-helixtrans-63.4-25.6177.381.50000115G98 C99 R100 S111 R113G98-S102 WeakPolarHBondContact O-CB 3.33Å; G98-S102 PolarHBondContact O-N 3.28Å; C99-S102 PolarHBondContact O-N 3.09Å; C99-S102 PolarHBondContact O-OG 3.32Å; R100-S102 PolarHBondContact O-N 3.47Å; S102-S111 WeakPolarHBondContact CA-O 3.25Å; S102-S111 WeakPolarHBondContact CB-O 3.31Å; S102-R113 PolarHBondContact O-NH1 3.39Å; S102-R113 WeakPolarHBondContact OG-CD 3.44Å; S102-R113 VanDerWaalsContact OG-CG 3.32Å; S102-R113 WeakPolarHBondContact OG-CG 3.36Å; S102-R113 PolarHBondContact OG-NH1 2.81Å
103C94.8Very high88.8Confident25 Ų2557.4 Ų57.417%0.16929%0.294CS..Hα-helixtrans-88.5-22.2176.2-74.20000113.4C83 L87 C99 R100 N101C83-C103 WeakPolarHBondContact CA-SG 3.4Å; C83-C103 HydrophobicContact CB-CB 3.63Å; C83-C103 WeakPolarHBondContact CB-SG 3.45Å; C83-C103 WeakPolarHBondContact SG-CA 3.49Å; C83-C103 WeakPolarHBondContact SG-CB 3.47Å; C83-C103 CovalentContact SG-SG 2.05Å; C83-C103 PolarHBondContact SG-SG 2.78Å; L87-C103 HydrophobicContact CD1-CB 4.46Å; L87-C103 HydrophobicContact CD2-CB 4.29Å; L87-C103 HydrophobicContact CG-CB 4.27Å; C99-C103 PolarHBondContact O-N 3.27Å; R100-C103 PolarHBondContact O-N 2.77Å; R100-C103 VanDerWaalsContact O-N 3.11Å; N101-C103 PolarHBondContact O-N 2.78Å
104L92.9Very high89.2Confident99 Ų9955 Ų5552%0.51828%0.281SS..Hα-helixtrans-90.2-36.1-179.9-64.2175000112.2L87 R100 N101L87-L104 HydrophobicContact CD1-CD2 4.45Å; L87-L104 HydrophobicContact CD2-CD2 3.79Å; L87-L104 HydrophobicContact CD2-CG 4.04Å; R100-L104 HydrophobicContact CG-CD1 4.23Å; R100-L104 WeakPolarHBondContact O-CG 3.05Å; R100-L104 PolarHBondContact O-N 3.05Å; N101-L104 PolarHBondContact O-N 3.5Å; N101-L104 VanDerWaalsContact O-N 3.13Å
105I84.9Confident89.5Confident77 Ų7754.8 Ų54.840%0.39528%0.281SS..  trans-134.376.2-172-50.6173.3000108N101 T107 Q108 S111N101-I105 PolarHBondContact O-N 2.94Å; I105-T107 VanDerWaalsContact C-N 3.28Å; I105-T107 PolarHBondContact O-N 2.77Å; I105-Q108 HydrophobicContact CG2-CG 4.12Å; I105-S111 WeakPolarHBondContact O-CB 3.38Å; I105-S111 PolarHBondContact O-OG 3.35Å
106S73.6Confident90Very high57 Ų5749.7 Ų49.740%0.39925%0.254SS..THydrogen-bonded Turntrans-81.4-3-176.1600000114.8
107T80.5Confident90.4Very high102 Ų10247.3 Ų47.363%0.62624%0.237SC*.THydrogen-bonded Turntrans-82.5-21.8-172.254.20000114.5I105I105-T107 VanDerWaalsContact C-N 3.28Å; I105-T107 PolarHBondContact O-N 2.77Å
108Q82.1Confident90.8Very high83 Ų8341.1 Ų41.139%0.38821%0.208SC..SBendtrans-98.2148.7-173.3-60.7-66.6-26.600112.7I105 Y110 S111 R112I105-Q108 HydrophobicContact CG2-CG 4.12Å; Q108-Y110 HydrophobicContact CB-CD1 3.96Å; Q108-Y110 HydrophobicContact CB-CE1 3.5Å; Q108-Y110 VanDerWaalsContact CB-CE1 3.5Å; Q108-Y110 HydrophobicContact CB-CE2 4.16Å; Q108-Y110 HydrophobicContact CB-CG 4.48Å; Q108-Y110 HydrophobicContact CG-CE1 3.95Å; Q108-Y110 PolarHBondContact O-N 3.41Å; Q108-S111 WeakPolarHBondContact CB-OG 3.2Å; Q108-S111 PolarHBondContact N-OG 3.49Å; Q108-S111 PolarHBondContact O-N 2.89Å; Q108-S111 PolarHBondContact O-OG 3.25Å; Q108-R112 WeakPolarHBondContact O-CG 3.49Å; Q108-R112 PolarHBondContact O-N 3.34Å
109P79.8Confident91.1Very high47 Ų4741.1 Ų41.131%0.30521%0.207SC..G310 helixtrans-57.3-40.6-179.7-29.137.1000115.1S111 R112 C198P109-S111 VanDerWaalsContact C-N 3.27Å; P109-S111 PolarHBondContact O-N 3.39Å; P109-R112 PolarHBondContact O-N 3.44Å; P109-C198 WeakPolarHBondContact CA-O 3.48Å; P109-C198 WeakPolarHBondContact CB-O 3.39Å
110Y82.4Confident91.2Very high141 Ų14142.2 Ų42.255%0.55321%0.211SC*.G310 helixtrans-74.3-16.7-177.558-98.1000113.8Q108Q108-Y110 HydrophobicContact CB-CD1 3.96Å; Q108-Y110 HydrophobicContact CB-CE1 3.5Å; Q108-Y110 VanDerWaalsContact CB-CE1 3.5Å; Q108-Y110 HydrophobicContact CB-CE2 4.16Å; Q108-Y110 HydrophobicContact CB-CG 4.48Å; Q108-Y110 HydrophobicContact CG-CE1 3.95Å; Q108-Y110 PolarHBondContact O-N 3.41Å
111S85.3Confident91.3Very high3 Ų339.7 Ų39.72%0.02120%0.201CC..G310 helixtrans-1036.2178.156.80000112S102 I105 Q108 P109S102-S111 WeakPolarHBondContact CA-O 3.25Å; S102-S111 WeakPolarHBondContact CB-O 3.31Å; I105-S111 WeakPolarHBondContact O-CB 3.38Å; I105-S111 PolarHBondContact O-OG 3.35Å; Q108-S111 WeakPolarHBondContact CB-OG 3.2Å; Q108-S111 PolarHBondContact N-OG 3.49Å; Q108-S111 PolarHBondContact O-N 2.89Å; Q108-S111 PolarHBondContact O-OG 3.25Å; P109-S111 VanDerWaalsContact C-N 3.27Å; P109-S111 PolarHBondContact O-N 3.39Å
112R93.4Very high91.2Very high49 Ų4941.4 Ų41.419%0.18522%0.218CC..SBendtrans-83.3142.9172.4-77.3176.3-174179.91.7111.3Q108 P109 H178 C198Q108-R112 WeakPolarHBondContact O-CG 3.49Å; Q108-R112 PolarHBondContact O-N 3.34Å; P109-R112 PolarHBondContact O-N 3.44Å; R112-H178 HydrophobicContact CB-CB 3.99Å; R112-H178 HydrophobicContact CG-CB 4.05Å; R112-C198 HydrophobicContact CB-CB 3.63Å; R112-C198 VanDerWaalsContact CD-SG 3.51Å; R112-C198 HydrophobicContact CG-CB 4.36Å
113R96Very high91.2Very high0 Ų043.7 Ų43.70%023%0.226CC..  trans-77.2137.5173.3-62.1177.9-65.5-82.8-9.3112.3E79 S102 C144 L175 P176 H178 C179E79-R113 VanDerWaalsContact CD-CZ 3.48Å; E79-R113 IonicContact OE1-CZ 2.97Å; E79-R113 IonicContact OE1-NH1 2.8Å; E79-R113 PolarHBondContact OE1-NH1 3.35Å; E79-R113 IonicContact OE1-NH2 3.95Å; E79-R113 PolarHBondContact OE1-NH2 3.36Å; E79-R113 IonicContact OE2-CZ 2.66Å; E79-R113 IonicContact OE2-NE 2.79Å; E79-R113 IonicContact OE2-NH1 3.84Å; E79-R113 PolarHBondContact OE2-NH1 2.85Å; E79-R113 IonicContact OE2-NH2 3.55Å; E79-R113 PolarHBondContact OE2-NH2 3.29Å; S102-R113 PolarHBondContact O-NH1 3.39Å; S102-R113 WeakPolarHBondContact OG-CD 3.44Å; S102-R113 VanDerWaalsContact OG-CG 3.32Å; S102-R113 WeakPolarHBondContact OG-CG 3.36Å; S102-R113 PolarHBondContact OG-NH1 2.81Å; R113-C144 VanDerWaalsContact CA-O 3.27Å; R113-C144 WeakPolarHBondContact CA-O 3.46Å; R113-C144 HydrophobicContact CB-CB 4.48Å; R113-C144 HydrophobicContact CG-CB 3.78Å; R113-L175 HydrophobicContact CB-CD1 4.48Å; R113-L175 HydrophobicContact CB-CD2 4.28Å; R113-L175 HydrophobicContact CB-CG 4.36Å; R113-L175 HydrophobicContact CG-CD1 4.48Å; R113-P176 VanDerWaalsContact CZ-O 3.28Å; R113-P176 PolarHBondContact NE-O 2.79Å; R113-P176 PolarHBondContact NH2-O 3.14Å; R113-H178 VanDerWaalsContact CZ-CE1 3.4Å; R113-H178 PolarHBondContact N-ND1 2.97Å; R113-H178 PolarHBondContact NH2-CE1 3.08Å; R113-H178 PolarHBondContact NH2-NE2 3.4Å; R113-H178 PolarHBondContact O-N 2.73Å; R113-C179 PolarHBondContact O-N 3.2Å
114N96.6Very high91.2Very high0 Ų044.7 Ų44.70%024%0.236CC..EExtended strand (participates in β ladder)trans-126.4146-177.8-61.7-24.9000112.2I116 C144 S145 L146 C179 I181 Y196 C198N114-I116 HydrophobicContact CB-CD1 4.49Å; N114-C144 PolarHBondContact N-O 3.28Å; N114-S145 WeakPolarHBondContact O-CA 3.49Å; N114-L146 PolarHBondContact O-N 2.92Å; N114-L146 VanDerWaalsContact O-N 3.1Å; N114-C179 WeakPolarHBondContact CA-O 3.47Å; N114-I181 HydrophobicContact CB-CD1 4.45Å; N114-Y196 PolarHBondContact ND2-O 3.21Å; N114-C198 VanDerWaalsContact OD1-CB 3.28Å; N114-C198 WeakPolarHBondContact OD1-CB 3.39Å
115V98.3Very high91.3Very high0 Ų045.8 Ų45.80%024%0.239CC..EExtended strand (participates in β ladder)trans-107.1137.5162.2-64.40000109.4I117 L146 I148 A171 L175 F177 C179 A180 I181V115-I117 HydrophobicContact CG2-CD1 4.13Å; V115-I117 HydrophobicContact CG2-CG1 4.26Å; V115-L146 WeakPolarHBondContact CA-O 3.38Å; V115-L146 HydrophobicContact CG1-CB 4.29Å; V115-I148 HydrophobicContact CB-CD1 4.04Å; V115-I148 HydrophobicContact CG1-CD1 4.21Å; V115-A171 HydrophobicContact CG1-CB 4.09Å; V115-A171 HydrophobicContact CG2-CB 4.42Å; V115-L175 HydrophobicContact CG1-CD2 3.98Å; V115-F177 HydrophobicContact CB-CD1 4.3Å; V115-F177 HydrophobicContact CB-CG 4.29Å; V115-F177 HydrophobicContact CG1-CB 3.77Å; V115-F177 HydrophobicContact CG1-CD1 3.43Å; V115-F177 VanDerWaalsContact CG1-CD1 3.43Å; V115-F177 HydrophobicContact CG1-CD2 4.45Å; V115-F177 HydrophobicContact CG1-CE1 4.16Å; V115-F177 HydrophobicContact CG1-CG 3.63Å; V115-F177 HydrophobicContact CG2-CB 4.48Å; V115-F177 HydrophobicContact CG2-CD1 3.88Å; V115-F177 HydrophobicContact CG2-CD2 3.74Å; V115-F177 HydrophobicContact CG2-CE1 4.01Å; V115-F177 HydrophobicContact CG2-CE2 3.84Å; V115-F177 HydrophobicContact CG2-CG 3.77Å; V115-F177 HydrophobicContact CG2-CZ 3.99Å; V115-C179 PolarHBondContact N-O 2.96Å; V115-A180 HydrophobicContact CG2-CB 3.84Å; V115-I181 PolarHBondContact O-N 3.37Å
116I98.7Very high91.8Very high0 Ų043 Ų430%022%0.224CC..EExtended strand (participates in β ladder)trans-109.7104.7176.5-59.279.7000106.5N114 I118 L134 L138 L146 I148 I181 H183N114-I116 HydrophobicContact CB-CD1 4.49Å; I116-I118 HydrophobicContact CG2-CG1 4.43Å; I116-L134 HydrophobicContact CG2-CD1 4.24Å; I116-L138 HydrophobicContact CD1-CD1 3.65Å; I116-L138 HydrophobicContact CD1-CD2 4.07Å; I116-L138 HydrophobicContact CG1-CD1 3.94Å; I116-L138 HydrophobicContact CG1-CD2 4.36Å; I116-L146 PolarHBondContact N-O 3.29Å; I116-I148 PolarHBondContact O-N 3.33Å; I116-I181 CarbonylContact C-O 3.54Å; I116-I181 WeakPolarHBondContact CA-O 3.43Å; I116-I181 HydrophobicContact CG1-CB 4.38Å; I116-I181 HydrophobicContact CG1-CD1 4.46Å; I116-H183 HydrophobicContact CG2-CB 4.18Å
117I98.9Very high92.9Very high0 Ų040.7 Ų40.70%021%0.207CC..EExtended strand (participates in β ladder)trans-96.9116.3-176.1-64.4169000108.4V115 P119 I148 A167 F168 A180 I181 F182 H183V115-I117 HydrophobicContact CG2-CD1 4.13Å; V115-I117 HydrophobicContact CG2-CG1 4.26Å; I117-P119 WeakPolarHBondContact O-CD 3.11Å; I117-I148 HydrophobicContact CG1-CB 4.39Å; I117-I148 HydrophobicContact CG1-CD1 4.26Å; I117-A167 HydrophobicContact CB-CB 4.47Å; I117-A167 HydrophobicContact CD1-CB 4.05Å; I117-A167 HydrophobicContact CG1-CB 4.08Å; I117-A167 HydrophobicContact CG2-CB 3.57Å; I117-F168 HydrophobicContact CD1-CB 4.07Å; I117-A180 HydrophobicContact CD1-CB 4.3Å; I117-I181 PolarHBondContact N-O 3.23Å; I117-F182 HydrophobicContact CB-CD1 3.97Å; I117-F182 HydrophobicContact CB-CE1 4.22Å; I117-F182 HydrophobicContact CD1-CD1 4.24Å; I117-F182 HydrophobicContact CD1-CE1 3.62Å; I117-F182 HydrophobicContact CD1-CZ 4.23Å; I117-F182 HydrophobicContact CG2-CD1 4.02Å; I117-F182 HydrophobicContact CG2-CE1 4.22Å; I117-F182 WeakPolarHBondContact O-CA 3.31Å; I117-H183 PolarHBondContact O-N 2.84Å
118I98.8Very high93.5Very high0 Ų037.7 Ų37.70%019%0.187CC..EExtended strand (participates in β ladder)trans-105.199.1176.7-53.6179.7000107.6I116 Y120 L127 L130 I131 L134 L147 I148 S150 V185I116-I118 HydrophobicContact CG2-CG1 4.43Å; I118-Y120 PolarHBondContact O-N 3.42Å; I118-L127 HydrophobicContact CD1-CD1 4.36Å; I118-L127 HydrophobicContact CG2-CD1 4.14Å; I118-L130 HydrophobicContact CD1-CD2 3.98Å; I118-L130 HydrophobicContact CG2-CD2 4.39Å; I118-I131 HydrophobicContact CD1-CD1 3.83Å; I118-L134 HydrophobicContact CD1-CD1 3.76Å; I118-L147 HydrophobicContact CD1-CD1 4.42Å; I118-L147 HydrophobicContact CD1-CD2 3.71Å; I118-L147 HydrophobicContact CD1-CG 4.21Å; I118-L147 HydrophobicContact CG1-CD2 4.41Å; I118-I148 PolarHBondContact N-O 3.47Å; I118-S150 PolarHBondContact O-N 3.47Å; I118-V185 HydrophobicContact CG2-CB 3.79Å; I118-V185 HydrophobicContact CG2-CG2 3.98Å
119P98.5Very high94.1Very high6 Ų639.6 Ų39.64%0.03919%0.194CC..EExtended strand (participates in β ladder)trans-65.1128.7171.229.3-34.3000109.2I117 F158 K160 V163 M164I117-P119 WeakPolarHBondContact O-CD 3.11Å; P119-F158 HydrophobicContact CB-CE1 4.48Å; P119-F158 HydrophobicContact CB-CZ 3.98Å; P119-K160 HydrophobicContact CB-CG 3.82Å; P119-K160 HydrophobicContact CG-CD 4.31Å; P119-K160 HydrophobicContact CG-CG 3.94Å; P119-V163 HydrophobicContact CB-CG1 3.95Å; P119-M164 HydrophobicContact CB-CG 3.89Å; P119-M164 HydrophobicContact CG-CG 3.98Å; P119-M164 HydrophobicContact CG-SD 4.06Å
120Y97.5Very high95Very high24 Ų2437.3 Ų37.39%0.09418%0.179CC..EExtended strand (participates in β ladder)trans-137.7138.5-166.2175.1-97000112I118 R123 A124 L127 V149 S150 E151 Q152 V185I118-Y120 PolarHBondContact O-N 3.42Å; Y120-R123 HydrophobicContact CD2-CB 4.12Å; Y120-R123 VanDerWaalsContact CE2-C 3.45Å; Y120-R123 HydrophobicContact CE2-CB 3.85Å; Y120-A124 WeakPolarHBondContact OH-CA 3.4Å; Y120-A124 PolarHBondContact OH-N 2.97Å; Y120-L127 HydrophobicContact CD2-CB 4.16Å; Y120-L127 HydrophobicContact CD2-CD1 4.39Å; Y120-L127 HydrophobicContact CD2-CD2 3.89Å; Y120-L127 HydrophobicContact CD2-CG 4.38Å; Y120-L127 HydrophobicContact CE2-CB 3.84Å; Y120-L127 HydrophobicContact CE2-CD2 3.73Å; Y120-L127 HydrophobicContact CE2-CG 4.32Å; Y120-L127 HydrophobicContact CG-CD2 4.4Å; Y120-V149 HydrophobicContact CD1-CG1 4.2Å; Y120-V149 HydrophobicContact CG-CG1 4.04Å; Y120-S150 PolarHBondContact N-O 2.82Å; Y120-E151 HydrophobicContact CD1-CB 3.86Å; Y120-E151 HydrophobicContact CD1-CG 3.69Å; Y120-E151 HydrophobicContact CE1-CG 4.09Å; Y120-E151 WeakPolarHBondContact CE1-OE1 3.39Å; Y120-E151 VanDerWaalsContact O-CA 3.31Å; Y120-E151 WeakPolarHBondContact O-CA 3.4Å; Y120-Q152 PolarHBondContact O-N 2.02Å; Y120-Q152 VanDerWaalsContact O-N 3.11Å; Y120-V185 HydrophobicContact CD2-CG2 4.24Å
121R95.2Very high95.6Very high67 Ų6730.7 Ų30.725%0.25315%0.153SC..SBendtrans-162126.5162-174.1175.771.6-17717.1110.3R123 Q152 Q156 P157 F158R121-R123 VanDerWaalsContact C-N 3.27Å; R121-R123 WeakPolarHBondContact O-CG 3.28Å; R121-R123 PolarHBondContact O-N 2.82Å; R121-Q152 VanDerWaalsContact NH1-NE2 3.13Å; R121-Q156 VanDerWaalsContact CZ-O 3.3Å; R121-Q156 PolarHBondContact NH1-O 2.81Å; R121-Q156 PolarHBondContact NH2-O 2.78Å; R121-P157 VanDerWaalsContact NH1-C 3.33Å; R121-F158 HydrophobicContact CB-CD2 3.99Å; R121-F158 HydrophobicContact CB-CE2 3.93Å; R121-F158 VanDerWaalsContact CZ-CB 3.5Å; R121-F158 VanDerWaalsContact NH1-N 3.11Å
122S92.7Very high96Very high90 Ų9031.9 Ų31.963%0.62916%0.161SC*.SBendtrans51.740.4172.4-51.60000114.5
123R94.7Very high96.1Very high47 Ų4731.2 Ų31.218%0.17716%0.158CC..  trans-129.836.8-177.3-71.3-73.1-170.3-138.5-0.5111.7Y120 R121 E125 H126 L127 V185 H279 K280 S282Y120-R123 HydrophobicContact CD2-CB 4.12Å; Y120-R123 VanDerWaalsContact CE2-C 3.45Å; Y120-R123 HydrophobicContact CE2-CB 3.85Å; R121-R123 VanDerWaalsContact C-N 3.27Å; R121-R123 WeakPolarHBondContact O-CG 3.28Å; R121-R123 PolarHBondContact O-N 2.82Å; R123-E125 PolarHBondContact O-N 2.92Å; R123-H126 HydrophobicContact CB-CB 4.24Å; R123-H126 WeakPolarHBondContact O-CB 3.4Å; R123-H126 PolarHBondContact O-N 3.13Å; R123-L127 PolarHBondContact O-N 3.09Å; R123-V185 HydrophobicContact CB-CG1 3.74Å; R123-V185 HydrophobicContact CB-CG2 4.41Å; R123-V185 HydrophobicContact CG-CG1 3.85Å; R123-H279 PolarHBondContact NH2-ND1 3.22Å; R123-H279 VanDerWaalsContact NH2-ND1 3.18Å; R123-K280 PolarHBondContact NH2-O 2.8Å; R123-S282 PolarHBondContact NH2-OG 3.21Å
124A93.9Very high96.1Very high46 Ų4631.2 Ų31.238%0.3816%0.158SC..Hα-helixtrans-53.3-48.6-171.100000112.4Y120 H126 L127 M128Y120-A124 WeakPolarHBondContact OH-CA 3.4Å; Y120-A124 PolarHBondContact OH-N 2.97Å; A124-H126 VanDerWaalsContact C-N 3.28Å; A124-H126 PolarHBondContact O-N 3.4Å; A124-L127 PolarHBondContact O-N 3.27Å; A124-L127 VanDerWaalsContact O-N 3.16Å; A124-M128 WeakPolarHBondContact O-CB 3.45Å; A124-M128 VanDerWaalsContact O-CG 3.26Å; A124-M128 WeakPolarHBondContact O-CG 3.2Å; A124-M128 PolarHBondContact O-N 3.33Å
125E94.6Very high96Very high123 Ų12331.2 Ų31.258%0.57516%0.158SC*.Hα-helixtrans-57.3-38.1177.9-65.7-175.9-172.900113.6R123 M128 K129R123-E125 PolarHBondContact O-N 2.92Å; E125-M128 HydrophobicContact CG-CE 4.48Å; E125-K129 WeakPolarHBondContact O-CG 3.44Å; E125-K129 PolarHBondContact O-N 3.4Å
126H97.4Very high95.8Very high18 Ų1834.2 Ų34.28%0.08317%0.172CC..Hα-helixtrans-68.8-47.8177-60.175.3000110.6R123 A124 M128 K129 L130 V185 L277 K278R123-H126 HydrophobicContact CB-CB 4.24Å; R123-H126 WeakPolarHBondContact O-CB 3.4Å; R123-H126 PolarHBondContact O-N 3.13Å; A124-H126 VanDerWaalsContact C-N 3.28Å; A124-H126 PolarHBondContact O-N 3.4Å; H126-M128 VanDerWaalsContact C-N 3.33Å; H126-M128 PolarHBondContact O-N 3.08Å; H126-K129 PolarHBondContact O-N 2.84Å; H126-K129 VanDerWaalsContact O-N 3.15Å; H126-L130 WeakPolarHBondContact O-CB 3.43Å; H126-L130 PolarHBondContact O-N 2.68Å; H126-V185 HydrophobicContact CB-CG1 4.48Å; H126-V185 HydrophobicContact CB-CG2 3.98Å; H126-L277 HydrophobicContact CB-CD1 4.2Å; H126-L277 VanDerWaalsContact CD2-CB 3.43Å; H126-L277 WeakPolarHBondContact CD2-CB 3.21Å; H126-K278 PolarHBondContact CE1-O 3.28Å; H126-K278 PolarHBondContact NE2-O 3.02Å
127L96.3Very high95.6Very high9 Ų934.2 Ų34.25%0.04717%0.172CC..Hα-helixtrans-60.3-43179.2-171.367.6000111.4I118 Y120 R123 A124 K129 L130 I131 V149 V185 F324I118-L127 HydrophobicContact CD1-CD1 4.36Å; I118-L127 HydrophobicContact CG2-CD1 4.14Å; Y120-L127 HydrophobicContact CD2-CB 4.16Å; Y120-L127 HydrophobicContact CD2-CD1 4.39Å; Y120-L127 HydrophobicContact CD2-CD2 3.89Å; Y120-L127 HydrophobicContact CD2-CG 4.38Å; Y120-L127 HydrophobicContact CE2-CB 3.84Å; Y120-L127 HydrophobicContact CE2-CD2 3.73Å; Y120-L127 HydrophobicContact CE2-CG 4.32Å; Y120-L127 HydrophobicContact CG-CD2 4.4Å; R123-L127 PolarHBondContact O-N 3.09Å; A124-L127 PolarHBondContact O-N 3.27Å; A124-L127 VanDerWaalsContact O-N 3.16Å; L127-K129 PolarHBondContact O-N 3.12Å; L127-L130 PolarHBondContact O-N 3.09Å; L127-I131 HydrophobicContact CD1-CD1 3.95Å; L127-I131 HydrophobicContact CD1-CG1 3.8Å; L127-I131 HydrophobicContact CG-CG1 3.99Å; L127-I131 VanDerWaalsContact O-CG1 3.25Å; L127-I131 WeakPolarHBondContact O-CG1 3.45Å; L127-I131 PolarHBondContact O-N 3.45Å; L127-V149 HydrophobicContact CD1-CG1 4.38Å; L127-V149 HydrophobicContact CD1-CG2 4Å; L127-V149 HydrophobicContact CD2-CG1 3.92Å; L127-V149 HydrophobicContact CD2-CG2 4.29Å; L127-V185 HydrophobicContact CB-CG2 3.96Å; L127-V185 HydrophobicContact CD1-CG2 4.01Å; L127-F324 HydrophobicContact CD2-CZ 4.18Å
128M93.1Very high95.4Very high39 Ų3934.2 Ų34.219%0.19217%0.172CC..Hα-helixtrans-60.8-32.5177.5-71.4-166.6-65.200113A124 E125 H126 P132 L328 E332A124-M128 WeakPolarHBondContact O-CB 3.45Å; A124-M128 VanDerWaalsContact O-CG 3.26Å; A124-M128 WeakPolarHBondContact O-CG 3.2Å; A124-M128 PolarHBondContact O-N 3.33Å; E125-M128 HydrophobicContact CG-CE 4.48Å; H126-M128 VanDerWaalsContact C-N 3.33Å; H126-M128 PolarHBondContact O-N 3.08Å; M128-P132 WeakPolarHBondContact O-CD 2.99Å; M128-P132 VanDerWaalsContact O-CG 3.31Å; M128-P132 WeakPolarHBondContact O-CG 3.47Å; M128-L328 HydrophobicContact CG-CB 4.22Å; M128-L328 HydrophobicContact CG-CD1 3.84Å; M128-L328 HydrophobicContact CG-CD2 3.8Å; M128-L328 HydrophobicContact CG-CG 4.16Å; M128-L328 HydrophobicContact SD-CB 3.96Å; M128-L328 HydrophobicContact SD-CD2 4.04Å; M128-L328 HydrophobicContact SD-CG 4.43Å; M128-E332 VanDerWaalsContact CE-OE1 3.27Å; M128-E332 WeakPolarHBondContact CE-OE1 3.18Å
129K95Very high95Very high122 Ų12236.2 Ų36.253%0.5318%0.184SC..Hα-helixtrans-80.1-41.1175.2-68.6168.5-175.3166.10111.7E125 H126 L127 M188 L277E125-K129 WeakPolarHBondContact O-CG 3.44Å; E125-K129 PolarHBondContact O-N 3.4Å; H126-K129 PolarHBondContact O-N 2.84Å; H126-K129 VanDerWaalsContact O-N 3.15Å; L127-K129 PolarHBondContact O-N 3.12Å; K129-M188 HydrophobicContact CB-CE 3.8Å; K129-L277 HydrophobicContact CB-CD1 4.28Å; K129-L277 HydrophobicContact CD-CD1 4.33Å
130L97Very high94.8Very high0 Ų041.7 Ų41.70%021%0.208CC..Hα-helixtrans-71.8-43.8-172.4-179.860.8000112.7I118 H126 L127 R133 L134 V185 L187 M188I118-L130 HydrophobicContact CD1-CD2 3.98Å; I118-L130 HydrophobicContact CG2-CD2 4.39Å; H126-L130 WeakPolarHBondContact O-CB 3.43Å; H126-L130 PolarHBondContact O-N 2.68Å; L127-L130 PolarHBondContact O-N 3.09Å; L130-R133 WeakPolarHBondContact O-CB 3.48Å; L130-R133 PolarHBondContact O-N 3.3Å; L130-R133 VanDerWaalsContact O-N 3.15Å; L130-L134 HydrophobicContact CD1-CD1 3.85Å; L130-L134 HydrophobicContact CD1-CD2 4.29Å; L130-L134 HydrophobicContact CD1-CG 3.74Å; L130-L134 HydrophobicContact CD2-CD1 4.08Å; L130-L134 HydrophobicContact CG-CD1 3.68Å; L130-L134 HydrophobicContact CG-CG 4.02Å; L130-L134 PolarHBondContact O-N 3.31Å; L130-V185 HydrophobicContact CD2-CG2 4.39Å; L130-L187 WeakPolarHBondContact CD1-O 3.39Å; L130-M188 HydrophobicContact CB-CE 4.33Å; L130-M188 HydrophobicContact CD1-CE 4.42Å; L130-M188 HydrophobicContact CD1-SD 4.4Å
131I95.6Very high94.6Very high1 Ų142.7 Ų42.71%0.00521%0.213CC..Hα-helixtrans-57.7-52.4-175.3-65.8-71000112.1I118 L127 R133 L134 V135 L147 V149 Y321 F324 I356I118-I131 HydrophobicContact CD1-CD1 3.83Å; L127-I131 HydrophobicContact CD1-CD1 3.95Å; L127-I131 HydrophobicContact CD1-CG1 3.8Å; L127-I131 HydrophobicContact CG-CG1 3.99Å; L127-I131 VanDerWaalsContact O-CG1 3.25Å; L127-I131 WeakPolarHBondContact O-CG1 3.45Å; L127-I131 PolarHBondContact O-N 3.45Å; I131-R133 PolarHBondContact O-N 2.9Å; I131-L134 PolarHBondContact O-N 3.38Å; I131-V135 HydrophobicContact CG2-CG2 4.19Å; I131-V135 WeakPolarHBondContact O-CB 3.45Å; I131-V135 VanDerWaalsContact O-CG2 3.26Å; I131-V135 WeakPolarHBondContact O-CG2 3.43Å; I131-V135 PolarHBondContact O-N 3.15Å; I131-L147 HydrophobicContact CD1-CD1 3.68Å; I131-L147 HydrophobicContact CD1-CD2 3.24Å; I131-L147 HydrophobicContact CD1-CG 4.11Å; I131-V149 HydrophobicContact CD1-CG2 4.18Å; I131-Y321 HydrophobicContact CG2-CD2 3.84Å; I131-Y321 HydrophobicContact CG2-CE2 3.92Å; I131-F324 HydrophobicContact CB-CE1 4.32Å; I131-F324 HydrophobicContact CG1-CE1 3.92Å; I131-F324 HydrophobicContact CG1-CZ 4.5Å; I131-F324 HydrophobicContact CG2-CD1 4.13Å; I131-F324 HydrophobicContact CG2-CE1 4.09Å; I131-I356 HydrophobicContact CG2-CD1 3.6Å
132P94.1Very high94.4Very high29 Ų2942.5 Ų42.519%0.18822%0.217CC..Hα-helixtrans-56.6-36177.8-26.635.2000113.8M128 E136 Y321 K351M128-P132 WeakPolarHBondContact O-CD 2.99Å; M128-P132 VanDerWaalsContact O-CG 3.31Å; M128-P132 WeakPolarHBondContact O-CG 3.47Å; P132-E136 WeakPolarHBondContact O-CB 3.31Å; P132-E136 PolarHBondContact O-N 3.3Å; P132-E136 VanDerWaalsContact O-N 3.11Å; P132-Y321 HydrophobicContact CB-CE2 4.36Å; P132-Y321 WeakPolarHBondContact CB-OH 3.08Å; P132-Y321 HydrophobicContact CG-CE2 4.14Å; P132-Y321 WeakPolarHBondContact CG-OH 3.35Å; P132-K351 PolarHBondContact O-NZ 2.93Å
133R95.3Very high94.4Very high34 Ų3438.6 Ų38.613%0.12819%0.189CC..Hα-helixtrans-70.2-47.6-18017970.7-175.4917.8111.7L130 I131 E136 L137 M188 P189 N191 N192L130-R133 WeakPolarHBondContact O-CB 3.48Å; L130-R133 PolarHBondContact O-N 3.3Å; L130-R133 VanDerWaalsContact O-N 3.15Å; I131-R133 PolarHBondContact O-N 2.9Å; R133-E136 PolarHBondContact O-N 3.24Å; R133-L137 PolarHBondContact O-N 3.22Å; R133-M188 HydrophobicContact CB-SD 3.56Å; R133-M188 VanDerWaalsContact CB-SD 3.56Å; R133-M188 HydrophobicContact CG-SD 3.46Å; R133-M188 WeakPolarHBondContact CG-SD 3.29Å; R133-P189 HydrophobicContact CG-CG 3.86Å; R133-P189 VanDerWaalsContact CZ-O 3.31Å; R133-P189 PolarHBondContact NE-O 2.78Å; R133-P189 PolarHBondContact NH2-O 2.72Å; R133-N191 PolarHBondContact NH2-O 2.95Å; R133-N192 PolarHBondContact NH1-OD1 2.82Å
134L96.4Very high94.4Very high0 Ų036.4 Ų36.40%018%0.181CC..Hα-helixtrans-64.2-44.6177.6-72.6178.7000111I116 I118 L130 I131 E136 L137 L138 L147 P189 Y196I116-L134 HydrophobicContact CG2-CD1 4.24Å; I118-L134 HydrophobicContact CD1-CD1 3.76Å; L130-L134 HydrophobicContact CD1-CD1 3.85Å; L130-L134 HydrophobicContact CD1-CD2 4.29Å; L130-L134 HydrophobicContact CD1-CG 3.74Å; L130-L134 HydrophobicContact CD2-CD1 4.08Å; L130-L134 HydrophobicContact CG-CD1 3.68Å; L130-L134 HydrophobicContact CG-CG 4.02Å; L130-L134 PolarHBondContact O-N 3.31Å; I131-L134 PolarHBondContact O-N 3.38Å; L134-E136 VanDerWaalsContact C-N 3.28Å; L134-E136 PolarHBondContact O-N 2.98Å; L134-L137 PolarHBondContact O-N 3.06Å; L134-L138 HydrophobicContact CB-CD1 4.38Å; L134-L138 WeakPolarHBondContact O-CB 3.44Å; L134-L138 WeakPolarHBondContact O-CG 3.39Å; L134-L138 PolarHBondContact O-N 3.05Å; L134-L147 HydrophobicContact CB-CD1 4Å; L134-L147 HydrophobicContact CD1-CD1 4.12Å; L134-P189 HydrophobicContact CD2-CG 4.2Å; L134-Y196 HydrophobicContact CD2-CE1 3.87Å
135V94.2Very high94.5Very high0 Ų034.5 Ų34.50%017%0.165CC..Hα-helixtrans-59.2-41.3177.4173.50000110.8I131 T139 L147 Y321 K351 Y354I131-V135 HydrophobicContact CG2-CG2 4.19Å; I131-V135 WeakPolarHBondContact O-CB 3.45Å; I131-V135 VanDerWaalsContact O-CG2 3.26Å; I131-V135 WeakPolarHBondContact O-CG2 3.43Å; I131-V135 PolarHBondContact O-N 3.15Å; V135-T139 WeakPolarHBondContact O-CB 3.19Å; V135-T139 PolarHBondContact O-N 2.86Å; V135-T139 VanDerWaalsContact O-N 3.09Å; V135-T139 PolarHBondContact O-OG1 2.61Å; V135-L147 HydrophobicContact CG2-CD1 4.43Å; V135-Y321 HydrophobicContact CG1-CD1 4.44Å; V135-Y321 HydrophobicContact CG1-CG 4.32Å; V135-Y321 HydrophobicContact CG2-CD2 4.02Å; V135-Y321 HydrophobicContact CG2-CG 4.37Å; V135-K351 HydrophobicContact CG1-CD 4.43Å; V135-K351 HydrophobicContact CG1-CG 3.53Å; V135-Y354 HydrophobicContact CG1-CD2 4.1Å; V135-Y354 HydrophobicContact CG1-CG 3.89Å; V135-Y354 HydrophobicContact CG2-CD1 3.96Å; V135-Y354 HydrophobicContact CG2-CE1 4.49Å; V135-Y354 HydrophobicContact CG2-CG 4.08Å
136E93.2Very high94.6Very high64 Ų6428.6 Ų28.630%0.29914%0.138SC..Hα-helixtrans-61.4-50.3173.9-175.2-171.5155.700112.5P132 R133 L134 T139 K140P132-E136 WeakPolarHBondContact O-CB 3.31Å; P132-E136 PolarHBondContact O-N 3.3Å; P132-E136 VanDerWaalsContact O-N 3.11Å; R133-E136 PolarHBondContact O-N 3.24Å; L134-E136 VanDerWaalsContact C-N 3.28Å; L134-E136 PolarHBondContact O-N 2.98Å; E136-T139 PolarHBondContact O-N 3Å; E136-K140 HydrophobicContact CG-CD 4.18Å; E136-K140 WeakPolarHBondContact O-CB 3.35Å; E136-K140 WeakPolarHBondContact O-CG 3.41Å; E136-K140 PolarHBondContact O-N 2.89Å; E136-K140 IonicContact OE1-NZ 2.68Å; E136-K140 PolarHBondContact OE1-NZ 3.43Å
137L94.7Very high94.7Very high0 Ų027.8 Ų27.80%013%0.134CC..Hα-helixtrans-60.3-52-178-173.3153.4000111.2R133 L134 T139 K140 Q141 P189 I194 Y196R133-L137 PolarHBondContact O-N 3.22Å; L134-L137 PolarHBondContact O-N 3.06Å; L137-T139 VanDerWaalsContact C-N 3.33Å; L137-T139 PolarHBondContact O-N 2.6Å; L137-K140 WeakPolarHBondContact O-CB 3.38Å; L137-K140 PolarHBondContact O-N 2.82Å; L137-K140 VanDerWaalsContact O-N 3.16Å; L137-Q141 HydrophobicContact CD2-CG 4.31Å; L137-Q141 WeakPolarHBondContact O-CG 3.43Å; L137-Q141 PolarHBondContact O-N 3.33Å; L137-P189 HydrophobicContact CD1-CB 4.12Å; L137-P189 HydrophobicContact CD1-CG 4.24Å; L137-I194 HydrophobicContact CD1-CB 4.46Å; L137-Y196 HydrophobicContact CD1-CD2 4.14Å; L137-Y196 HydrophobicContact CD1-CE2 3.95Å; L137-Y196 HydrophobicContact CD2-CD2 3.51Å; L137-Y196 HydrophobicContact CD2-CE2 4.08Å; L137-Y196 HydrophobicContact CD2-CG 3.82Å
138L94.6Very high94.8Very high0 Ų027.3 Ų27.30%013%0.131CC..Hα-helixtrans-65.8-36.8-176.1-64.1169.2000111.7I116 L134 Q141 N142 L143 Y196 Y354I116-L138 HydrophobicContact CD1-CD1 3.65Å; I116-L138 HydrophobicContact CD1-CD2 4.07Å; I116-L138 HydrophobicContact CG1-CD1 3.94Å; I116-L138 HydrophobicContact CG1-CD2 4.36Å; L134-L138 HydrophobicContact CB-CD1 4.38Å; L134-L138 WeakPolarHBondContact O-CB 3.44Å; L134-L138 WeakPolarHBondContact O-CG 3.39Å; L134-L138 PolarHBondContact O-N 3.05Å; L138-Q141 PolarHBondContact O-N 2.72Å; L138-N142 PolarHBondContact O-N 3.18Å; L138-L143 HydrophobicContact CD2-CD1 4.12Å; L138-L143 PolarHBondContact O-N 3.43Å; L138-Y196 HydrophobicContact CD2-CD1 4.03Å; L138-Y196 HydrophobicContact CD2-CG 4.15Å; L138-Y354 HydrophobicContact CB-CE2 4.15Å; L138-Y354 VanDerWaalsContact CD1-OH 3.31Å; L138-Y354 WeakPolarHBondContact CD1-OH 3.25Å
139T92Very high95Very high41 Ų4125.5 Ų25.525%0.25212%0.122SC..Hα-helixtrans-66-42.4173.9-57.50000111.1V135 E136 L137 Q141 N142V135-T139 WeakPolarHBondContact O-CB 3.19Å; V135-T139 PolarHBondContact O-N 2.86Å; V135-T139 VanDerWaalsContact O-N 3.09Å; V135-T139 PolarHBondContact O-OG1 2.61Å; E136-T139 PolarHBondContact O-N 3Å; L137-T139 VanDerWaalsContact C-N 3.33Å; L137-T139 PolarHBondContact O-N 2.6Å; T139-Q141 VanDerWaalsContact C-N 3.31Å; T139-Q141 PolarHBondContact O-N 3.09Å; T139-N142 PolarHBondContact O-N 2.85Å; T139-N142 VanDerWaalsContact O-N 3.12Å
140K92.9Very high95.2Very high121 Ų12119.7 Ų19.753%0.52610%0.097SC..Hα-helixtrans-64-35.3176.8-80.7177.1171.11720112.6E136 L137 N142 N192E136-K140 HydrophobicContact CG-CD 4.18Å; E136-K140 WeakPolarHBondContact O-CB 3.35Å; E136-K140 WeakPolarHBondContact O-CG 3.41Å; E136-K140 PolarHBondContact O-N 2.89Å; E136-K140 IonicContact OE1-NZ 2.68Å; E136-K140 PolarHBondContact OE1-NZ 3.43Å; L137-K140 WeakPolarHBondContact O-CB 3.38Å; L137-K140 PolarHBondContact O-N 2.82Å; L137-K140 VanDerWaalsContact O-N 3.16Å; K140-N142 PolarHBondContact O-N 3.34Å; K140-N192 HydrophobicContact CD-CB 4.2Å; K140-N192 PolarHBondContact NZ-ND2 2.9Å
141Q93Very high95.3Very high45 Ų4521.6 Ų21.621%0.2111%0.106CC..THydrogen-bonded Turntrans-78.7-2.1176.3-67.2-175.8300113.6L137 L138 T139 L143 N192 I194 Y196L137-Q141 HydrophobicContact CD2-CG 4.31Å; L137-Q141 WeakPolarHBondContact O-CG 3.43Å; L137-Q141 PolarHBondContact O-N 3.33Å; L138-Q141 PolarHBondContact O-N 2.72Å; T139-Q141 VanDerWaalsContact C-N 3.31Å; T139-Q141 PolarHBondContact O-N 3.09Å; Q141-L143 HydrophobicContact CB-CD1 3.97Å; Q141-L143 HydrophobicContact CB-CD2 4.42Å; Q141-L143 HydrophobicContact CB-CG 3.71Å; Q141-L143 PolarHBondContact O-N 2.75Å; Q141-N192 PolarHBondContact NE2-O 3.25Å; Q141-I194 PolarHBondContact NE2-O 2.82Å; Q141-Y196 VanDerWaalsContact OE1-N 3.17Å
142N92.1Very high95.4Very high63 Ų6321.6 Ų21.634%0.33711%0.106SC..THydrogen-bonded Turntrans5238.6-179.1-161.922.3000112.9G98 L138 T139 K140G98-N142 WeakPolarHBondContact CA-O 3.23Å; G98-N142 PolarHBondContact N-OD1 2.91Å; L138-N142 PolarHBondContact O-N 3.18Å; T139-N142 PolarHBondContact O-N 2.85Å; T139-N142 VanDerWaalsContact O-N 3.12Å; K140-N142 PolarHBondContact O-N 3.34Å
143L92.7Very high95.5Very high8 Ų823 Ų234%0.04211%0.112CC..  trans-88133.6-177.9-60.4179.6000111L138 Q141 S145 Y196 T197L138-L143 HydrophobicContact CD2-CD1 4.12Å; L138-L143 PolarHBondContact O-N 3.43Å; Q141-L143 HydrophobicContact CB-CD1 3.97Å; Q141-L143 HydrophobicContact CB-CD2 4.42Å; Q141-L143 HydrophobicContact CB-CG 3.71Å; Q141-L143 PolarHBondContact O-N 2.75Å; L143-S145 PolarHBondContact O-N 3.34Å; L143-S145 VanDerWaalsContact O-N 3.11Å; L143-S145 PolarHBondContact O-OG 3.12Å; L143-S145 VanDerWaalsContact O-OG 3.05Å; L143-Y196 WeakPolarHBondContact CD1-O 3.39Å; L143-T197 HydrophobicContact CD2-CG2 3.94Å
144C95Very high95.3Very high2 Ų222.6 Ų22.61%0.01411%0.112CC..  trans-70.6108.9164.4-169.70000109.4C99 R113 N114C99-C144 VanDerWaalsContact CA-CB 3.41Å; C99-C144 WeakPolarHBondContact CA-SG 3.28Å; C99-C144 HydrophobicContact CB-CB 3.8Å; C99-C144 WeakPolarHBondContact CB-SG 3.42Å; C99-C144 WeakPolarHBondContact SG-CA 3.49Å; C99-C144 WeakPolarHBondContact SG-CB 3.27Å; C99-C144 CovalentContact SG-SG 2.04Å; C99-C144 PolarHBondContact SG-SG 2.97Å; R113-C144 VanDerWaalsContact CA-O 3.27Å; R113-C144 WeakPolarHBondContact CA-O 3.46Å; R113-C144 HydrophobicContact CB-CB 4.48Å; R113-C144 HydrophobicContact CG-CB 3.78Å; N114-C144 PolarHBondContact N-O 3.28Å
145S96.1Very high95Very high5 Ų530.5 Ų30.54%0.03515%0.149CC..EExtended strand (participates in β ladder)trans-145.9153.7-170.644.20000112.7N114 L143 Y354N114-S145 WeakPolarHBondContact O-CA 3.49Å; L143-S145 PolarHBondContact O-N 3.34Å; L143-S145 VanDerWaalsContact O-N 3.11Å; L143-S145 PolarHBondContact O-OG 3.12Å; L143-S145 VanDerWaalsContact O-OG 3.05Å; S145-Y354 WeakPolarHBondContact CB-OH 3.26Å; S145-Y354 PolarHBondContact OG-OH 2.99Å
146L97Very high94.8Very high0 Ų033.5 Ų33.50%016%0.163CC..EExtended strand (participates in β ladder)trans-124.5124.8170.517465.7000108.1F94 N114 V115 I116 I148 W174 L175 I318 P355 L357F94-L146 HydrophobicContact CE1-CB 4.18Å; F94-L146 HydrophobicContact CZ-CB 4.38Å; F94-L146 HydrophobicContact CZ-CD1 4.35Å; N114-L146 PolarHBondContact O-N 2.92Å; N114-L146 VanDerWaalsContact O-N 3.1Å; V115-L146 WeakPolarHBondContact CA-O 3.38Å; V115-L146 HydrophobicContact CG1-CB 4.29Å; I116-L146 PolarHBondContact N-O 3.29Å; L146-I148 HydrophobicContact CD2-CD1 4.11Å; L146-I148 HydrophobicContact CD2-CG1 4.1Å; L146-I148 HydrophobicContact CG-CD1 4.41Å; L146-I148 HydrophobicContact CG-CG1 3.93Å; L146-W174 HydrophobicContact CD2-CB 3.66Å; L146-W174 HydrophobicContact CD2-CG 4.31Å; L146-L175 HydrophobicContact CB-CD2 3.92Å; L146-I318 HydrophobicContact CD1-CD1 4.4Å; L146-P355 HydrophobicContact CD1-CB 3.93Å; L146-P355 HydrophobicContact CD1-CG 4.12Å; L146-L357 HydrophobicContact CD1-CB 4.19Å; L146-L357 HydrophobicContact CD2-CB 4.37Å; L146-L357 HydrophobicContact CD2-CD2 4.26Å; L146-L357 HydrophobicContact CG-CB 4.47Å
147L97.8Very high94.7Very high0 Ų031.8 Ų31.80%016%0.157CC..EExtended strand (participates in β ladder)trans-89.5130.9173-165.4162000108.4I118 I131 L134 V135 V149 Y354 I356 L357I118-L147 HydrophobicContact CD1-CD1 4.42Å; I118-L147 HydrophobicContact CD1-CD2 3.71Å; I118-L147 HydrophobicContact CD1-CG 4.21Å; I118-L147 HydrophobicContact CG1-CD2 4.41Å; I131-L147 HydrophobicContact CD1-CD1 3.68Å; I131-L147 HydrophobicContact CD1-CD2 3.24Å; I131-L147 HydrophobicContact CD1-CG 4.11Å; L134-L147 HydrophobicContact CB-CD1 4Å; L134-L147 HydrophobicContact CD1-CD1 4.12Å; V135-L147 HydrophobicContact CG2-CD1 4.43Å; L147-V149 HydrophobicContact CD2-CG2 4.12Å; L147-Y354 HydrophobicContact CB-CE1 3.76Å; L147-I356 HydrophobicContact CB-CG1 4.49Å; L147-I356 HydrophobicContact CD2-CG2 4.09Å; L147-I356 CarbonylContact O-C 3.57Å; L147-I356 WeakPolarHBondContact O-CA 3.34Å; L147-L357 PolarHBondContact O-N 3.38Å
148I98.5Very high94.7Very high0 Ų033.8 Ų33.80%017%0.166CC..EExtended strand (participates in β ladder)trans-123.2119-176.5-50.7-179.2000109V115 I116 I117 I118 L146 A167 A171 L357 L359V115-I148 HydrophobicContact CB-CD1 4.04Å; V115-I148 HydrophobicContact CG1-CD1 4.21Å; I116-I148 PolarHBondContact O-N 3.33Å; I117-I148 HydrophobicContact CG1-CB 4.39Å; I117-I148 HydrophobicContact CG1-CD1 4.26Å; I118-I148 PolarHBondContact N-O 3.47Å; L146-I148 HydrophobicContact CD2-CD1 4.11Å; L146-I148 HydrophobicContact CD2-CG1 4.1Å; L146-I148 HydrophobicContact CG-CD1 4.41Å; L146-I148 HydrophobicContact CG-CG1 3.93Å; I148-A167 HydrophobicContact CG2-CB 4.15Å; I148-A171 HydrophobicContact CD1-CB 3.44Å; I148-A171 VanDerWaalsContact CD1-CB 3.44Å; I148-L357 CarbonylContact C-O 3.5Å; I148-L357 VanDerWaalsContact CA-O 3.26Å; I148-L357 WeakPolarHBondContact CA-O 3.46Å; I148-L357 HydrophobicContact CD1-CD2 4.29Å; I148-L357 HydrophobicContact CG1-CB 4.24Å; I148-L357 HydrophobicContact CG1-CD2 4.32Å; I148-L357 HydrophobicContact CG2-CB 4.42Å; I148-L357 HydrophobicContact CG2-CD2 4.28Å; I148-L357 HydrophobicContact CG2-CG 4.39Å; I148-L359 HydrophobicContact CG2-CD1 3.79Å; I148-L359 HydrophobicContact CG2-CG 4.08Å
149V98.5Very high94.8Very high0 Ų033.8 Ų33.80%017%0.166CC..EExtended strand (participates in β ladder)trans-91.3112.3166.8-178.10000107.1Y120 L127 I131 L147 I356 L357 H358 L359Y120-V149 HydrophobicContact CD1-CG1 4.2Å; Y120-V149 HydrophobicContact CG-CG1 4.04Å; L127-V149 HydrophobicContact CD1-CG1 4.38Å; L127-V149 HydrophobicContact CD1-CG2 4Å; L127-V149 HydrophobicContact CD2-CG1 3.92Å; L127-V149 HydrophobicContact CD2-CG2 4.29Å; I131-V149 HydrophobicContact CD1-CG2 4.18Å; L147-V149 HydrophobicContact CD2-CG2 4.12Å; V149-I356 HydrophobicContact CG2-CG2 4.15Å; V149-L357 PolarHBondContact N-O 3.06Å; V149-H358 WeakPolarHBondContact O-CA 3.39Å; V149-L359 PolarHBondContact O-N 3.45Å
150S98.5Very high95.1Very high0 Ų033 Ų330%016%0.159CC..EExtended strand (participates in β ladder)trans-103.7100.1-179-166.20000109.2I118 Y120 V163 A167 I361I118-S150 PolarHBondContact O-N 3.47Å; Y120-S150 PolarHBondContact N-O 2.82Å; S150-V163 WeakPolarHBondContact O-CG1 3.38Å; S150-V163 WeakPolarHBondContact OG-CG1 3.46Å; S150-V163 PolarHBondContact OG-O 3Å; S150-A167 WeakPolarHBondContact OG-CB 3.43Å; S150-I361 WeakPolarHBondContact OG-CD1 3.39Å
151E98.4Very high95.4Very high40 Ų4027.2 Ų27.219%0.18713%0.134CC..EExtended strand (participates in β ladder)trans-99.4121.9-171.7-179169.5-158.400112.1Y120 I153 H358 L359 I361Y120-E151 HydrophobicContact CD1-CB 3.86Å; Y120-E151 HydrophobicContact CD1-CG 3.69Å; Y120-E151 HydrophobicContact CE1-CG 4.09Å; Y120-E151 WeakPolarHBondContact CE1-OE1 3.39Å; Y120-E151 VanDerWaalsContact O-CA 3.31Å; Y120-E151 WeakPolarHBondContact O-CA 3.4Å; E151-I153 HydrophobicContact CG-CG2 4.02Å; E151-I153 PolarHBondContact O-N 3.05Å; E151-H358 IonicContact OE2-CD2 3.24Å; E151-H358 IonicContact OE2-CE1 2.99Å; E151-H358 PolarHBondContact OE2-CE1 3.42Å; E151-H358 IonicContact OE2-NE2 2.71Å; E151-H358 PolarHBondContact OE2-NE2 2.98Å; E151-L359 WeakPolarHBondContact CB-O 3.37Å; E151-L359 PolarHBondContact N-O 3.43Å; E151-I361 PolarHBondContact O-N 2.94Å
152Q98.1Very high95.6Very high1 Ų125.5 Ų25.51%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-79.6113.7162.3-177.3175.7-2600108.9Y120 R121 D154 P157 F158 V163 I361 V363Y120-Q152 PolarHBondContact O-N 2.02Å; Y120-Q152 VanDerWaalsContact O-N 3.11Å; R121-Q152 VanDerWaalsContact NH1-NE2 3.13Å; Q152-D154 WeakPolarHBondContact CG-OD2 3.4Å; Q152-D154 PolarHBondContact NE2-OD1 2.9Å; Q152-P157 PolarHBondContact NE2-O 3.22Å; Q152-F158 HydrophobicContact CB-CD2 4.04Å; Q152-F158 HydrophobicContact CB-CE2 3.95Å; Q152-V163 HydrophobicContact CB-CG2 3.75Å; Q152-I361 WeakPolarHBondContact CA-O 3.5Å; Q152-V363 HydrophobicContact CG-CG1 4.1Å; Q152-V363 HydrophobicContact CG-CG2 4.03Å
153I96.4Very high95.9Very high60 Ų6022.5 Ų22.531%0.30811%0.11SC..  trans-87.6-21.4-171.961.3167.8000114.4E151 V314 K360 I361E151-I153 HydrophobicContact CG-CG2 4.02Å; E151-I153 PolarHBondContact O-N 3.05Å; I153-V314 HydrophobicContact CD1-CB 3.85Å; I153-V314 HydrophobicContact CD1-CG1 3.9Å; I153-V314 HydrophobicContact CD1-CG2 3.59Å; I153-K360 HydrophobicContact CG2-CB 3.53Å; I153-K360 HydrophobicContact CG2-CD 3.98Å; I153-K360 HydrophobicContact CG2-CG 3.7Å; I153-I361 PolarHBondContact N-O 3.45Å; I153-I361 VanDerWaalsContact N-O 3.09Å
154D91Very high96.2Very high25 Ų2522.2 Ų22.213%0.13411%0.108CC..SBendtrans-75.7170.7179.963.560.7000111.9Q152 Q156 V363Q152-D154 WeakPolarHBondContact CG-OD2 3.4Å; Q152-D154 PolarHBondContact NE2-OD1 2.9Å; D154-Q156 HydrophobicContact CB-CG 4.36Å; D154-Q156 WeakPolarHBondContact OD1-CB 3.36Å; D154-Q156 PolarHBondContact OD1-N 2.77Å; D154-V363 WeakPolarHBondContact OD2-CG2 3.34Å; D154-V363 PolarHBondContact OD2-N 2.9Å
155Q89.6Confident96.4Very high166 Ų16622.1 Ų22.178%0.77611%0.108SC*.SBendtrans-96.712.3177.7-59.5-57.7-50.700112.9
156Q90.5Very high96.5Very high62 Ų6221.9 Ų21.929%0.2911%0.106SC..SBendtrans-68173.4178.5-61.4-58.9-29.300110.3R121 D154 W244R121-Q156 VanDerWaalsContact CZ-O 3.3Å; R121-Q156 PolarHBondContact NH1-O 2.81Å; R121-Q156 PolarHBondContact NH2-O 2.78Å; D154-Q156 HydrophobicContact CB-CG 4.36Å; D154-Q156 WeakPolarHBondContact OD1-CB 3.36Å; D154-Q156 PolarHBondContact OD1-N 2.77Å; Q156-W244 HydrophobicContact CB-CZ3 4.37Å
157P92.1Very high96.6Very high29 Ų2921.9 Ų21.919%0.18811%0.106CC..PPolyproline II helixtrans-53.2146.1163.6-28.638.4000112.3R121 Q152 N159 W244 F285R121-P157 VanDerWaalsContact NH1-C 3.33Å; Q152-P157 PolarHBondContact NE2-O 3.22Å; P157-N159 PolarHBondContact O-N 3.12Å; P157-W244 HydrophobicContact CB-CB 4.16Å; P157-W244 HydrophobicContact CB-CE3 4.24Å; P157-F285 HydrophobicContact CB-CD2 4.37Å; P157-F285 HydrophobicContact CB-CE2 3.49Å; P157-F285 VanDerWaalsContact CB-CE2 3.49Å; P157-F285 HydrophobicContact CB-CZ 4.24Å; P157-F285 HydrophobicContact CG-CE2 3.4Å; P157-F285 VanDerWaalsContact CG-CE2 3.4Å; P157-F285 HydrophobicContact CG-CZ 3.64Å
158F95Very high96.7Very high41 Ų4121.9 Ų21.918%0.1811%0.106CC..PPolyproline II helixtrans-69.8121.3-177.3-169.5-133.5000109.4P119 R121 Q152 K160 V163 G245P119-F158 HydrophobicContact CB-CE1 4.48Å; P119-F158 HydrophobicContact CB-CZ 3.98Å; R121-F158 HydrophobicContact CB-CD2 3.99Å; R121-F158 HydrophobicContact CB-CE2 3.93Å; R121-F158 VanDerWaalsContact CZ-CB 3.5Å; R121-F158 VanDerWaalsContact NH1-N 3.11Å; Q152-F158 HydrophobicContact CB-CD2 4.04Å; Q152-F158 HydrophobicContact CB-CE2 3.95Å; F158-K160 HydrophobicContact CD1-CB 3.89Å; F158-K160 HydrophobicContact CD1-CG 4.36Å; F158-K160 HydrophobicContact CE1-CB 3.62Å; F158-K160 HydrophobicContact CE1-CD 4.19Å; F158-K160 HydrophobicContact CE1-CG 3.63Å; F158-K160 HydrophobicContact CZ-CB 4.3Å; F158-K160 HydrophobicContact CZ-CG 4.22Å; F158-V163 HydrophobicContact CE2-CG2 4.05Å; F158-G245 WeakPolarHBondContact O-CA 3.07Å; F158-G245 PolarHBondContact O-N 3.3Å
159N96.5Very high96.6Very high0 Ų023.8 Ų23.80%012%0.118CC..  trans-104.981.7172.6-165.7-38.9000108.9P157 G161 I162 V163 N241 W244 V363P157-N159 PolarHBondContact O-N 3.12Å; N159-G161 PolarHBondContact O-N 2.92Å; N159-G161 PolarHBondContact OD1-N 2.78Å; N159-I162 HydrophobicContact CB-CB 4.36Å; N159-I162 HydrophobicContact CB-CD1 4.25Å; N159-I162 HydrophobicContact CB-CG1 4.43Å; N159-I162 WeakPolarHBondContact ND2-CD1 3.04Å; N159-I162 PolarHBondContact O-N 3.43Å; N159-I162 WeakPolarHBondContact OD1-CG1 3.48Å; N159-I162 PolarHBondContact OD1-N 3.32Å; N159-V163 VanDerWaalsContact O-CG2 3.26Å; N159-V163 WeakPolarHBondContact O-CG2 3.4Å; N159-V163 PolarHBondContact O-N 2.92Å; N159-V163 VanDerWaalsContact O-N 3.12Å; N159-N241 PolarHBondContact ND2-O 3.24Å; N159-W244 HydrophobicContact CB-CD2 4.16Å; N159-W244 HydrophobicContact CB-CE3 3.8Å; N159-W244 HydrophobicContact CB-CH2 4.26Å; N159-W244 HydrophobicContact CB-CZ3 3.88Å; N159-W244 WeakPolarHBondContact ND2-CZ2 3.46Å; N159-V363 HydrophobicContact CB-CG2 4.25Å
160K97.5Very high96.6Very high24 Ų2425.1 Ų25.110%0.10412%0.124CC..Hα-helixtrans-60.4-34.3-176.4-164.1-176.7155.8-1680111.6P119 F158 V163 M164 D184 E249P119-K160 HydrophobicContact CB-CG 3.82Å; P119-K160 HydrophobicContact CG-CD 4.31Å; P119-K160 HydrophobicContact CG-CG 3.94Å; F158-K160 HydrophobicContact CD1-CB 3.89Å; F158-K160 HydrophobicContact CD1-CG 4.36Å; F158-K160 HydrophobicContact CE1-CB 3.62Å; F158-K160 HydrophobicContact CE1-CD 4.19Å; F158-K160 HydrophobicContact CE1-CG 3.63Å; F158-K160 HydrophobicContact CZ-CB 4.3Å; F158-K160 HydrophobicContact CZ-CG 4.22Å; K160-V163 PolarHBondContact O-N 3.12Å; K160-M164 HydrophobicContact CB-CE 4.42Å; K160-M164 HydrophobicContact CD-CE 4.22Å; K160-M164 HydrophobicContact CD-SD 4.5Å; K160-M164 HydrophobicContact CG-CE 3.8Å; K160-M164 HydrophobicContact CG-CG 4.35Å; K160-M164 HydrophobicContact CG-SD 4.09Å; K160-M164 VanDerWaalsContact O-CB 3.32Å; K160-M164 WeakPolarHBondContact O-CB 3.12Å; K160-M164 WeakPolarHBondContact O-CE 3.32Å; K160-M164 WeakPolarHBondContact O-CG 3.5Å; K160-M164 PolarHBondContact O-N 3.48Å; K160-D184 WeakPolarHBondContact CE-OD1 3.36Å; K160-D184 IonicContact NZ-OD1 2.78Å; K160-D184 PolarHBondContact NZ-OD1 3.16Å; K160-D184 IonicContact NZ-OD2 3.18Å; K160-D184 PolarHBondContact NZ-OD2 2.95Å; K160-E249 HydrophobicContact CD-CG 4.4Å; K160-E249 VanDerWaalsContact CD-OE1 3.31Å; K160-E249 WeakPolarHBondContact CD-OE1 3.49Å; K160-E249 IonicContact NZ-OE1 3.66Å; K160-E249 PolarHBondContact NZ-OE1 3.08Å
161G98.3Very high96.6Very high0 Ų025.1 Ų25.10%012%0.124CC..Hα-helixtrans-60.3-53.1177.400000112.6N159 V163 M164 N165N159-G161 PolarHBondContact O-N 2.92Å; N159-G161 PolarHBondContact OD1-N 2.78Å; G161-V163 PolarHBondContact O-N 3.13Å; G161-M164 PolarHBondContact O-N 2.9Å; G161-N165 WeakPolarHBondContact O-CB 3.38Å; G161-N165 VanDerWaalsContact O-CG 3.25Å; G161-N165 PolarHBondContact O-N 3.31Å; G161-N165 PolarHBondContact O-ND2 3.34Å
162I98.4Very high96.4Very high10 Ų1024.5 Ų24.55%0.05112%0.122CC..Hα-helixtrans-59.5-48.5176.5-65.9176000110.2N159 M164 N165 T166 N241 W244 L309 V363N159-I162 HydrophobicContact CB-CB 4.36Å; N159-I162 HydrophobicContact CB-CD1 4.25Å; N159-I162 HydrophobicContact CB-CG1 4.43Å; N159-I162 WeakPolarHBondContact ND2-CD1 3.04Å; N159-I162 PolarHBondContact O-N 3.43Å; N159-I162 WeakPolarHBondContact OD1-CG1 3.48Å; N159-I162 PolarHBondContact OD1-N 3.32Å; I162-M164 VanDerWaalsContact C-N 3.3Å; I162-M164 PolarHBondContact O-N 3.34Å; I162-N165 PolarHBondContact O-N 3.07Å; I162-T166 WeakPolarHBondContact O-CB 3.26Å; I162-T166 PolarHBondContact O-N 3.05Å; I162-T166 PolarHBondContact O-OG1 2.81Å; I162-T166 VanDerWaalsContact O-OG1 3.09Å; I162-N241 HydrophobicContact CD1-CB 4.16Å; I162-N241 HydrophobicContact CG1-CB 3.7Å; I162-W244 HydrophobicContact CD1-CZ2 4.36Å; I162-L309 HydrophobicContact CB-CD1 4.31Å; I162-L309 HydrophobicContact CG1-CD1 4.34Å; I162-L309 HydrophobicContact CG2-CD1 3.93Å; I162-V363 HydrophobicContact CB-CB 4.33Å; I162-V363 HydrophobicContact CB-CG1 4.07Å; I162-V363 HydrophobicContact CD1-CB 4.19Å; I162-V363 HydrophobicContact CG2-CB 3.89Å; I162-V363 HydrophobicContact CG2-CG1 3.6Å
163V98.6Very high96.3Very high0 Ų029.5 Ų29.50%015%0.149CC..Hα-helixtrans-57.6-41.4-179.4172.30000112.2P119 S150 Q152 F158 N159 K160 G161 A167 V363P119-V163 HydrophobicContact CB-CG1 3.95Å; S150-V163 WeakPolarHBondContact O-CG1 3.38Å; S150-V163 WeakPolarHBondContact OG-CG1 3.46Å; S150-V163 PolarHBondContact OG-O 3Å; Q152-V163 HydrophobicContact CB-CG2 3.75Å; F158-V163 HydrophobicContact CE2-CG2 4.05Å; N159-V163 VanDerWaalsContact O-CG2 3.26Å; N159-V163 WeakPolarHBondContact O-CG2 3.4Å; N159-V163 PolarHBondContact O-N 2.92Å; N159-V163 VanDerWaalsContact O-N 3.12Å; K160-V163 PolarHBondContact O-N 3.12Å; G161-V163 PolarHBondContact O-N 3.13Å; V163-A167 PolarHBondContact O-N 3.27Å; V163-V363 HydrophobicContact CG2-CG1 3.92Å
164M98.8Very high96.2Very high1 Ų129.2 Ų29.21%0.00514%0.144CC..Hα-helixtrans-72.3-43.7177.6-73.8-172.8-57.300112.2P119 K160 G161 I162 A167 F168 F182 Y239 E249P119-M164 HydrophobicContact CB-CG 3.89Å; P119-M164 HydrophobicContact CG-CG 3.98Å; P119-M164 HydrophobicContact CG-SD 4.06Å; K160-M164 HydrophobicContact CB-CE 4.42Å; K160-M164 HydrophobicContact CD-CE 4.22Å; K160-M164 HydrophobicContact CD-SD 4.5Å; K160-M164 HydrophobicContact CG-CE 3.8Å; K160-M164 HydrophobicContact CG-CG 4.35Å; K160-M164 HydrophobicContact CG-SD 4.09Å; K160-M164 VanDerWaalsContact O-CB 3.32Å; K160-M164 WeakPolarHBondContact O-CB 3.12Å; K160-M164 WeakPolarHBondContact O-CE 3.32Å; K160-M164 WeakPolarHBondContact O-CG 3.5Å; K160-M164 PolarHBondContact O-N 3.48Å; G161-M164 PolarHBondContact O-N 2.9Å; I162-M164 VanDerWaalsContact C-N 3.3Å; I162-M164 PolarHBondContact O-N 3.34Å; M164-A167 PolarHBondContact O-N 2.77Å; M164-F168 WeakPolarHBondContact O-CB 3.16Å; M164-F168 PolarHBondContact O-N 3.34Å; M164-F182 HydrophobicContact CB-CD1 3.74Å; M164-F182 HydrophobicContact CB-CE1 3.67Å; M164-F182 HydrophobicContact CG-CD1 3.71Å; M164-F182 HydrophobicContact CG-CE1 4.18Å; M164-F182 HydrophobicContact SD-CB 3.94Å; M164-F182 HydrophobicContact SD-CD1 3.63Å; M164-F182 HydrophobicContact SD-CE1 4.46Å; M164-F182 HydrophobicContact SD-CG 3.98Å; M164-Y239 HydrophobicContact CB-CD2 3.96Å; M164-Y239 HydrophobicContact CB-CE2 4.18Å; M164-Y239 HydrophobicContact CE-CD1 3.63Å; M164-Y239 HydrophobicContact CE-CD2 3.47Å; M164-Y239 VanDerWaalsContact CE-CD2 3.47Å; M164-Y239 HydrophobicContact CE-CE1 3.59Å; M164-Y239 HydrophobicContact CE-CE2 3.42Å; M164-Y239 VanDerWaalsContact CE-CE2 3.42Å; M164-Y239 HydrophobicContact CE-CG 3.58Å; M164-Y239 VanDerWaalsContact CE-CZ 3.48Å; M164-Y239 HydrophobicContact SD-CD2 4.25Å; M164-Y239 HydrophobicContact SD-CE2 3.76Å; M164-E249 HydrophobicContact CE-CG 4.36Å
165N98.9Very high96.4Very high0 Ų028 Ų280%014%0.137CC..Hα-helixtrans-62.8-44.9177.3-74.6-16.9000111.6G161 I162 F168 V169 F233 Y239 N241 I306 L309G161-N165 WeakPolarHBondContact O-CB 3.38Å; G161-N165 VanDerWaalsContact O-CG 3.25Å; G161-N165 PolarHBondContact O-N 3.31Å; G161-N165 PolarHBondContact O-ND2 3.34Å; I162-N165 PolarHBondContact O-N 3.07Å; N165-F168 WeakPolarHBondContact O-CB 3.46Å; N165-F168 PolarHBondContact O-N 2.92Å; N165-V169 WeakPolarHBondContact O-CG2 3.32Å; N165-V169 PolarHBondContact O-N 3.27Å; N165-F233 WeakPolarHBondContact OD1-CZ 3.16Å; N165-Y239 PolarHBondContact ND2-O 2.99Å; N165-Y239 PolarHBondContact OD1-N 3.28Å; N165-N241 PolarHBondContact ND2-OD1 3.33Å; N165-N241 VanDerWaalsContact ND2-OD1 3.12Å; N165-I306 HydrophobicContact CB-CG1 4.44Å; N165-L309 HydrophobicContact CB-CD1 3.65Å; N165-L309 HydrophobicContact CB-CD2 3.89Å; N165-L309 HydrophobicContact CB-CG 4.38Å
166T98.8Very high96.7Very high0 Ų020.1 Ų20.10%010%0.1CC..Hα-helixtrans-58.8-49.2175.8-66.90000111I162 F168 V169 E170 Y311 I361I162-T166 WeakPolarHBondContact O-CB 3.26Å; I162-T166 PolarHBondContact O-N 3.05Å; I162-T166 PolarHBondContact O-OG1 2.81Å; I162-T166 VanDerWaalsContact O-OG1 3.09Å; T166-F168 VanDerWaalsContact C-N 3.3Å; T166-F168 PolarHBondContact O-N 2.96Å; T166-V169 PolarHBondContact O-N 3.21Å; T166-E170 HydrophobicContact CG2-CG 4.22Å; T166-E170 WeakPolarHBondContact O-CB 3.47Å; T166-E170 WeakPolarHBondContact O-CG 3.06Å; T166-E170 PolarHBondContact O-N 3.43Å; T166-Y311 HydrophobicContact CG2-CD1 4.29Å; T166-Y311 HydrophobicContact CG2-CD2 3.36Å; T166-Y311 HydrophobicContact CG2-CE1 4.25Å; T166-Y311 HydrophobicContact CG2-CE2 3.32Å; T166-Y311 HydrophobicContact CG2-CG 3.87Å; T166-Y311 VanDerWaalsContact OG1-CD1 3.31Å; T166-Y311 WeakPolarHBondContact OG1-CD1 3.32Å; T166-Y311 VanDerWaalsContact OG1-CG 3.23Å; T166-I361 HydrophobicContact CG2-CD1 3.45Å; T166-I361 VanDerWaalsContact CG2-CD1 3.45Å; T166-I361 HydrophobicContact CG2-CG1 3.73Å; T166-I361 HydrophobicContact CG2-CG2 4.06Å
167A98.8Very high97.1Very high0 Ų017.2 Ų17.20%09%0.087CC..Hα-helixtrans-62-37.7177.400000112.8I117 I148 S150 V163 M164 A171 L359I117-A167 HydrophobicContact CB-CB 4.47Å; I117-A167 HydrophobicContact CD1-CB 4.05Å; I117-A167 HydrophobicContact CG1-CB 4.08Å; I117-A167 HydrophobicContact CG2-CB 3.57Å; I148-A167 HydrophobicContact CG2-CB 4.15Å; S150-A167 WeakPolarHBondContact OG-CB 3.43Å; V163-A167 PolarHBondContact O-N 3.27Å; M164-A167 PolarHBondContact O-N 2.77Å; A167-A171 WeakPolarHBondContact O-CB 3.47Å; A167-A171 PolarHBondContact O-N 2.76Å; A167-L359 HydrophobicContact CB-CD1 4.04Å
168F98.7Very high97.3Very high0 Ų017.2 Ų17.20%08%0.084CC..Hα-helixtrans-60.9-46.4174.8174.2-85.9000111.8I117 M164 N165 T166 F177 A180 F182 L230 F233 L234 I306I117-F168 HydrophobicContact CD1-CB 4.07Å; M164-F168 WeakPolarHBondContact O-CB 3.16Å; M164-F168 PolarHBondContact O-N 3.34Å; N165-F168 WeakPolarHBondContact O-CB 3.46Å; N165-F168 PolarHBondContact O-N 2.92Å; T166-F168 VanDerWaalsContact C-N 3.3Å; T166-F168 PolarHBondContact O-N 2.96Å; F168-F177 AromaticContact CD2-CE2 3.92Å; F168-F177 HydrophobicContact CD2-CE2 3.92Å; F168-F177 AromaticContact CD2-CZ 3.75Å; F168-F177 HydrophobicContact CD2-CZ 3.75Å; F168-F177 AromaticContact CE2-CE2 3.55Å; F168-F177 HydrophobicContact CE2-CE2 3.55Å; F168-F177 AromaticContact CE2-CZ 3.65Å; F168-F177 HydrophobicContact CE2-CZ 3.65Å; F168-F177 HydrophobicContact CG-CZ 4.33Å; F168-F177 HydrophobicContact CZ-CE2 4.27Å; F168-F177 HydrophobicContact CZ-CZ 4.14Å; F168-A180 HydrophobicContact CD2-CB 3.79Å; F168-A180 HydrophobicContact CE2-CB 4.17Å; F168-F182 HydrophobicContact CD2-CZ 4.45Å; F168-L230 HydrophobicContact CZ-CG 4.08Å; F168-F233 HydrophobicContact CB-CD1 4.49Å; F168-F233 HydrophobicContact CB-CE1 3.82Å; F168-F233 AromaticContact CD1-CD1 3.75Å; F168-F233 HydrophobicContact CD1-CD1 3.75Å; F168-F233 AromaticContact CD1-CE1 3.7Å; F168-F233 HydrophobicContact CD1-CE1 3.7Å; F168-F233 AromaticContact CD2-CD1 3.39Å; F168-F233 HydrophobicContact CD2-CD1 3.39Å; F168-F233 AromaticContact CD2-CE1 3.58Å; F168-F233 HydrophobicContact CD2-CE1 3.58Å; F168-F233 HydrophobicContact CD2-CG 4.19Å; F168-F233 AromaticContact CE1-CD1 3.71Å; F168-F233 HydrophobicContact CE1-CD1 3.71Å; F168-F233 HydrophobicContact CE1-CE1 4.14Å; F168-F233 HydrophobicContact CE2-CB 4.04Å; F168-F233 AromaticContact CE2-CD1 3.32Å; F168-F233 HydrophobicContact CE2-CD1 3.32Å; F168-F233 HydrophobicContact CE2-CE1 4.01Å; F168-F233 AromaticContact CE2-CG 3.94Å; F168-F233 HydrophobicContact CE2-CG 3.94Å; F168-F233 AromaticContact CG-CD1 3.61Å; F168-F233 HydrophobicContact CG-CD1 3.61Å; F168-F233 AromaticContact CG-CE1 3.4Å; F168-F233 HydrophobicContact CG-CE1 3.4Å; F168-F233 VanDerWaalsContact CG-CE1 3.4Å; F168-F233 HydrophobicContact CG-CZ 4.45Å; F168-F233 HydrophobicContact CZ-CB 4.28Å; F168-F233 AromaticContact CZ-CD1 3.49Å; F168-F233 HydrophobicContact CZ-CD1 3.49Å; F168-F233 VanDerWaalsContact CZ-CD1 3.49Å; F168-F233 HydrophobicContact CZ-CE1 4.28Å; F168-F233 HydrophobicContact CZ-CG 4.3Å; F168-L234 HydrophobicContact CE1-CD2 3.96Å; F168-L234 HydrophobicContact CZ-CD2 4.26Å; F168-L234 HydrophobicContact CZ-CG 4.35Å; F168-I306 HydrophobicContact CD1-CD1 4.02Å; F168-I306 HydrophobicContact CE1-CD1 4.03Å
169V98Very high97.5Very high40 Ų4015.3 Ų15.324%0.2428%0.076CC..Hα-helixtrans-65.8-50.2179.6171.50000110.7N165 T166 A171 L172 I306 L309N165-V169 WeakPolarHBondContact O-CG2 3.32Å; N165-V169 PolarHBondContact O-N 3.27Å; T166-V169 PolarHBondContact O-N 3.21Å; V169-A171 VanDerWaalsContact C-N 3.28Å; V169-A171 PolarHBondContact O-N 2.96Å; V169-L172 WeakPolarHBondContact O-CB 3.22Å; V169-L172 PolarHBondContact O-N 3.48Å; V169-I306 HydrophobicContact CG2-CG2 3.81Å; V169-L309 HydrophobicContact CG2-CD2 4.14Å
170E98Very high97.6Very high29 Ų2915.3 Ų15.314%0.1368%0.076CC..Hα-helixtrans-63.8-34.4-178.6-73.9-59.8157.300112.6T166 L172 N173 W174 Y311 L313 L359T166-E170 HydrophobicContact CG2-CG 4.22Å; T166-E170 WeakPolarHBondContact O-CB 3.47Å; T166-E170 WeakPolarHBondContact O-CG 3.06Å; T166-E170 PolarHBondContact O-N 3.43Å; E170-L172 PolarHBondContact O-N 3.2Å; E170-L172 VanDerWaalsContact O-N 3.17Å; E170-N173 WeakPolarHBondContact O-CB 3.32Å; E170-N173 PolarHBondContact O-N 3.16Å; E170-N173 VanDerWaalsContact O-N 3.13Å; E170-N173 PolarHBondContact OE2-ND2 2.93Å; E170-W174 VanDerWaalsContact O-CD1 3.32Å; E170-Y311 HydrophobicContact CG-CE2 4.45Å; E170-Y311 PolarHBondContact OE1-OH 2.87Å; E170-L313 HydrophobicContact CG-CD2 4.26Å; E170-L359 HydrophobicContact CB-CD1 3.81Å; E170-L359 HydrophobicContact CG-CD1 4.37Å
171A97.4Very high97.6Very high0 Ų014.1 Ų14.10%07%0.071CC..Hα-helixtrans-58.6-28.4177.900000114V115 I148 A167 V169 N173 W174 L175 F177V115-A171 HydrophobicContact CG1-CB 4.09Å; V115-A171 HydrophobicContact CG2-CB 4.42Å; I148-A171 HydrophobicContact CD1-CB 3.44Å; I148-A171 VanDerWaalsContact CD1-CB 3.44Å; A167-A171 WeakPolarHBondContact O-CB 3.47Å; A167-A171 PolarHBondContact O-N 2.76Å; V169-A171 VanDerWaalsContact C-N 3.28Å; V169-A171 PolarHBondContact O-N 2.96Å; A171-N173 PolarHBondContact O-N 3.48Å; A171-W174 PolarHBondContact O-N 2.95Å; A171-L175 PolarHBondContact O-N 3.29Å; A171-L175 VanDerWaalsContact O-N 3.11Å; A171-F177 HydrophobicContact CB-CD1 4.12Å; A171-F177 HydrophobicContact CB-CE1 3.54Å; A171-F177 HydrophobicContact CB-CZ 4.34Å
172L96.1Very high97.6Very high26 Ų2614.3 Ų14.314%0.1367%0.072CC..THydrogen-bonded Turntrans-62.7-23.3179.7-66.2165.4000112.5V71 H78 V169 E170 W174 F177 L230V71-L172 HydrophobicContact CB-CD1 4.44Å; V71-L172 HydrophobicContact CG1-CD1 3.57Å; V71-L172 HydrophobicContact CG1-CD2 4.12Å; V71-L172 HydrophobicContact CG2-CD1 4.1Å; H78-L172 PolarHBondContact CD2-O 3.35Å; H78-L172 VanDerWaalsContact CD2-O 3.23Å; V169-L172 WeakPolarHBondContact O-CB 3.22Å; V169-L172 PolarHBondContact O-N 3.48Å; E170-L172 PolarHBondContact O-N 3.2Å; E170-L172 VanDerWaalsContact O-N 3.17Å; L172-W174 VanDerWaalsContact C-N 3.31Å; L172-F177 HydrophobicContact CD2-CD1 4.44Å; L172-F177 HydrophobicContact CD2-CE1 3.66Å; L172-F177 HydrophobicContact CD2-CZ 3.85Å; L172-F177 HydrophobicContact CG-CE1 3.97Å; L172-F177 HydrophobicContact CG-CZ 4.25Å; L172-L230 HydrophobicContact CD2-CD1 3.78Å
173N94.5Very high97.7Very high107 Ų10713.9 Ų13.957%0.5727%0.069SC*.THydrogen-bonded Turntrans-78.6-15.1176-64.8-40.6000113.2E170 A171E170-N173 WeakPolarHBondContact O-CB 3.32Å; E170-N173 PolarHBondContact O-N 3.16Å; E170-N173 VanDerWaalsContact O-N 3.13Å; E170-N173 PolarHBondContact OE2-ND2 2.93Å; A171-N173 PolarHBondContact O-N 3.48Å
174W94.8Very high97.7Very high54 Ų5415.4 Ų15.421%0.2058%0.078CC..THydrogen-bonded Turntrans-107.3-42.2-172.9-68.692.3000113.3R91 L146 E170 A171 L172 I318 L357R91-W174 PolarHBondContact NH2-O 3.5Å; L146-W174 HydrophobicContact CD2-CB 3.66Å; L146-W174 HydrophobicContact CD2-CG 4.31Å; E170-W174 VanDerWaalsContact O-CD1 3.32Å; A171-W174 PolarHBondContact O-N 2.95Å; L172-W174 VanDerWaalsContact C-N 3.31Å; W174-I318 HydrophobicContact CE3-CD1 3.87Å; W174-I318 HydrophobicContact CH2-CB 4.01Å; W174-I318 HydrophobicContact CH2-CG2 3.96Å; W174-I318 HydrophobicContact CZ3-CB 3.93Å; W174-I318 HydrophobicContact CZ3-CD1 3.72Å; W174-I318 HydrophobicContact CZ3-CG1 4.47Å; W174-I318 HydrophobicContact CZ3-CG2 3.87Å; W174-L357 VanDerWaalsContact CD1-CD2 3.46Å; W174-L357 HydrophobicContact CD2-CD1 4.29Å; W174-L357 HydrophobicContact CD2-CD2 4.2Å; W174-L357 HydrophobicContact CG-CD2 3.91Å; W174-L357 HydrophobicContact CH2-CD1 4.28Å; W174-L357 HydrophobicContact CZ2-CD1 3.66Å
175L95.9Very high97.6Very high0 Ų016 Ų160%08%0.081CC..  trans-144.1125.7-174-174.268000108.9F82 F94 R113 V115 L146 A171 F177F82-L175 HydrophobicContact CD2-CD1 4.4Å; F82-L175 HydrophobicContact CE1-CD1 4.46Å; F82-L175 HydrophobicContact CE2-CD1 3.52Å; F82-L175 HydrophobicContact CZ-CD1 3.56Å; F94-L175 HydrophobicContact CD1-CD1 4.14Å; F94-L175 HydrophobicContact CE1-CD1 3.95Å; F94-L175 HydrophobicContact CZ-CB 4.39Å; F94-L175 HydrophobicContact CZ-CD1 4.18Å; R113-L175 HydrophobicContact CB-CD1 4.48Å; R113-L175 HydrophobicContact CB-CD2 4.28Å; R113-L175 HydrophobicContact CB-CG 4.36Å; R113-L175 HydrophobicContact CG-CD1 4.48Å; V115-L175 HydrophobicContact CG1-CD2 3.98Å; L146-L175 HydrophobicContact CB-CD2 3.92Å; A171-L175 PolarHBondContact O-N 3.29Å; A171-L175 VanDerWaalsContact O-N 3.11Å; L175-F177 HydrophobicContact CD2-CB 4.19Å; L175-F177 HydrophobicContact CG-CB 4.28Å; L175-F177 WeakPolarHBondContact O-CD1 3.42Å; L175-F177 PolarHBondContact O-N 2.82Å
176P96.3Very high97.5Very high0 Ų016.9 Ų16.90%09%0.086CC..  trans-7572.8170.429.7-31.4000109.5W75 H78 E79 F82 R113W75-P176 PolarHBondContact NE1-O 2.96Å; H78-P176 HydrophobicContact CB-CB 4.46Å; E79-P176 HydrophobicContact CB-CB 4.2Å; E79-P176 HydrophobicContact CB-CG 4.43Å; E79-P176 WeakPolarHBondContact OE2-CG 3.47Å; F82-P176 HydrophobicContact CB-CG 3.66Å; F82-P176 HydrophobicContact CD1-CG 3.88Å; F82-P176 HydrophobicContact CD2-CG 4.18Å; F82-P176 HydrophobicContact CG-CG 3.63Å; R113-P176 VanDerWaalsContact CZ-O 3.28Å; R113-P176 PolarHBondContact NE-O 2.79Å; R113-P176 PolarHBondContact NH2-O 3.14Å
177F97.3Very high97.5Very high0 Ų017.1 Ų17.10%09%0.087CC..  trans-77.4155.8-173.964.9-93.9000112.7W75 V115 F168 A171 L172 L175 C179 A180 L230W75-F177 PolarHBondContact NE1-O 3.05Å; V115-F177 HydrophobicContact CB-CD1 4.3Å; V115-F177 HydrophobicContact CB-CG 4.29Å; V115-F177 HydrophobicContact CG1-CB 3.77Å; V115-F177 HydrophobicContact CG1-CD1 3.43Å; V115-F177 VanDerWaalsContact CG1-CD1 3.43Å; V115-F177 HydrophobicContact CG1-CD2 4.45Å; V115-F177 HydrophobicContact CG1-CE1 4.16Å; V115-F177 HydrophobicContact CG1-CG 3.63Å; V115-F177 HydrophobicContact CG2-CB 4.48Å; V115-F177 HydrophobicContact CG2-CD1 3.88Å; V115-F177 HydrophobicContact CG2-CD2 3.74Å; V115-F177 HydrophobicContact CG2-CE1 4.01Å; V115-F177 HydrophobicContact CG2-CE2 3.84Å; V115-F177 HydrophobicContact CG2-CG 3.77Å; V115-F177 HydrophobicContact CG2-CZ 3.99Å; F168-F177 AromaticContact CD2-CE2 3.92Å; F168-F177 HydrophobicContact CD2-CE2 3.92Å; F168-F177 AromaticContact CD2-CZ 3.75Å; F168-F177 HydrophobicContact CD2-CZ 3.75Å; F168-F177 AromaticContact CE2-CE2 3.55Å; F168-F177 HydrophobicContact CE2-CE2 3.55Å; F168-F177 AromaticContact CE2-CZ 3.65Å; F168-F177 HydrophobicContact CE2-CZ 3.65Å; F168-F177 HydrophobicContact CG-CZ 4.33Å; F168-F177 HydrophobicContact CZ-CE2 4.27Å; F168-F177 HydrophobicContact CZ-CZ 4.14Å; A171-F177 HydrophobicContact CB-CD1 4.12Å; A171-F177 HydrophobicContact CB-CE1 3.54Å; A171-F177 HydrophobicContact CB-CZ 4.34Å; L172-F177 HydrophobicContact CD2-CD1 4.44Å; L172-F177 HydrophobicContact CD2-CE1 3.66Å; L172-F177 HydrophobicContact CD2-CZ 3.85Å; L172-F177 HydrophobicContact CG-CE1 3.97Å; L172-F177 HydrophobicContact CG-CZ 4.25Å; L175-F177 HydrophobicContact CD2-CB 4.19Å; L175-F177 HydrophobicContact CG-CB 4.28Å; L175-F177 WeakPolarHBondContact O-CD1 3.42Å; L175-F177 PolarHBondContact O-N 2.82Å; F177-C179 WeakPolarHBondContact CD2-O 3.34Å; F177-A180 HydrophobicContact CE2-CB 4.15Å; F177-L230 HydrophobicContact CD2-CD1 4.3Å; F177-L230 HydrophobicContact CE2-CB 4.34Å; F177-L230 HydrophobicContact CE2-CD1 3.96Å; F177-L230 HydrophobicContact CZ-CD1 4.27Å; F177-L230 WeakPolarHBondContact O-CD1 3.24Å
178H97.2Very high97.5Very high30 Ų3018.5 Ų18.514%0.1399%0.094CC..SBendtrans-101.6-30.3178.4-55.789.3000112.6W75 R112 R113 P229 L230W75-H178 AromaticContact CH2-NE2 3.82Å; W75-H178 AromaticContact CZ2-CD2 3.7Å; W75-H178 AromaticContact CZ2-NE2 3.65Å; R112-H178 HydrophobicContact CB-CB 3.99Å; R112-H178 HydrophobicContact CG-CB 4.05Å; R113-H178 VanDerWaalsContact CZ-CE1 3.4Å; R113-H178 PolarHBondContact N-ND1 2.97Å; R113-H178 PolarHBondContact NH2-CE1 3.08Å; R113-H178 PolarHBondContact NH2-NE2 3.4Å; R113-H178 PolarHBondContact O-N 2.73Å; H178-P229 WeakPolarHBondContact O-CA 3.41Å; H178-L230 WeakPolarHBondContact O-CB 3.35Å; H178-L230 PolarHBondContact O-N 3.31Å
179C98.1Very high97.5Very high0 Ų018.5 Ų18.50%09%0.094CC..EExtended strand (participates in β ladder)trans-130.2145.9174.5-75.50000110.9R113 N114 V115 F177 C198 I228R113-C179 PolarHBondContact O-N 3.2Å; N114-C179 WeakPolarHBondContact CA-O 3.47Å; V115-C179 PolarHBondContact N-O 2.96Å; F177-C179 WeakPolarHBondContact CD2-O 3.34Å; C179-C198 HydrophobicContact CB-CB 3.63Å; C179-C198 WeakPolarHBondContact CB-SG 3.36Å; C179-C198 WeakPolarHBondContact SG-CA 3.35Å; C179-C198 WeakPolarHBondContact SG-CB 3.27Å; C179-C198 CovalentContact SG-SG 2.02Å; C179-C198 PolarHBondContact SG-SG 2.98Å; C179-I228 VanDerWaalsContact CA-O 3.32Å; C179-I228 WeakPolarHBondContact CA-O 3.34Å
180A98.6Very high97.4Very high0 Ų021.2 Ų21.20%011%0.105CC..EExtended strand (participates in β ladder)trans-103.9132.9164.200000108.8V115 I117 F168 F177 F182 S227 I228V115-A180 HydrophobicContact CG2-CB 3.84Å; I117-A180 HydrophobicContact CD1-CB 4.3Å; F168-A180 HydrophobicContact CD2-CB 3.79Å; F168-A180 HydrophobicContact CE2-CB 4.17Å; F177-A180 HydrophobicContact CE2-CB 4.15Å; A180-F182 HydrophobicContact CB-CE2 3.98Å; A180-F182 HydrophobicContact CB-CZ 3.96Å; A180-S227 CarbonylContact O-C 3.58Å; A180-S227 WeakPolarHBondContact O-CA 3.48Å; A180-I228 PolarHBondContact N-O 3.41Å; A180-I228 PolarHBondContact O-N 2.99Å
181I98.8Very high97.2Very high0 Ų021.7 Ų21.70%011%0.109CC..EExtended strand (participates in β ladder)trans-110.8106.6174.3-52.6-177.3000106.9N114 V115 I116 I117 Y196 I205 V225 L226N114-I181 HydrophobicContact CB-CD1 4.45Å; V115-I181 PolarHBondContact O-N 3.37Å; I116-I181 CarbonylContact C-O 3.54Å; I116-I181 WeakPolarHBondContact CA-O 3.43Å; I116-I181 HydrophobicContact CG1-CB 4.38Å; I116-I181 HydrophobicContact CG1-CD1 4.46Å; I117-I181 PolarHBondContact N-O 3.23Å; I181-Y196 HydrophobicContact CD1-CD1 3.79Å; I181-Y196 HydrophobicContact CD1-CG 4.3Å; I181-Y196 WeakPolarHBondContact CD1-O 3.43Å; I181-Y196 HydrophobicContact CG2-CD1 4.28Å; I181-Y196 HydrophobicContact CG2-CE1 4.24Å; I181-I205 HydrophobicContact CG2-CD1 4.22Å; I181-V225 HydrophobicContact CG2-CG1 3.88Å; I181-L226 CarbonylContact C-O 3.56Å; I181-L226 WeakPolarHBondContact CA-O 3.43Å
182F98.9Very high97Very high4 Ų424.2 Ų24.22%0.01812%0.122CC..EExtended strand (participates in β ladder)trans-82.5125172.8-59.3-76000108.3I117 M164 F168 A180 V225 L226 I228 F233 Y239I117-F182 HydrophobicContact CB-CD1 3.97Å; I117-F182 HydrophobicContact CB-CE1 4.22Å; I117-F182 HydrophobicContact CD1-CD1 4.24Å; I117-F182 HydrophobicContact CD1-CE1 3.62Å; I117-F182 HydrophobicContact CD1-CZ 4.23Å; I117-F182 HydrophobicContact CG2-CD1 4.02Å; I117-F182 HydrophobicContact CG2-CE1 4.22Å; I117-F182 WeakPolarHBondContact O-CA 3.31Å; M164-F182 HydrophobicContact CB-CD1 3.74Å; M164-F182 HydrophobicContact CB-CE1 3.67Å; M164-F182 HydrophobicContact CG-CD1 3.71Å; M164-F182 HydrophobicContact CG-CE1 4.18Å; M164-F182 HydrophobicContact SD-CB 3.94Å; M164-F182 HydrophobicContact SD-CD1 3.63Å; M164-F182 HydrophobicContact SD-CE1 4.46Å; M164-F182 HydrophobicContact SD-CG 3.98Å; F168-F182 HydrophobicContact CD2-CZ 4.45Å; A180-F182 HydrophobicContact CB-CE2 3.98Å; A180-F182 HydrophobicContact CB-CZ 3.96Å; F182-V225 CarbonylContact O-C 3.57Å; F182-V225 VanDerWaalsContact O-CA 3.27Å; F182-V225 WeakPolarHBondContact O-CA 3.47Å; F182-L226 PolarHBondContact N-O 2.87Å; F182-L226 PolarHBondContact O-N 3.45Å; F182-I228 HydrophobicContact CD2-CG2 4.06Å; F182-I228 HydrophobicContact CE2-CG2 3.56Å; F182-F233 HydrophobicContact CE1-CZ 4.27Å; F182-F233 AromaticContact CE2-CD2 3.8Å; F182-F233 HydrophobicContact CE2-CD2 3.8Å; F182-F233 AromaticContact CE2-CE2 3.4Å; F182-F233 HydrophobicContact CE2-CE2 3.4Å; F182-F233 VanDerWaalsContact CE2-CE2 3.4Å; F182-F233 AromaticContact CE2-CZ 3.91Å; F182-F233 HydrophobicContact CE2-CZ 3.91Å; F182-F233 HydrophobicContact CZ-CD2 4.08Å; F182-F233 HydrophobicContact CZ-CE1 4.03Å; F182-F233 AromaticContact CZ-CE2 3.41Å; F182-F233 HydrophobicContact CZ-CE2 3.41Å; F182-F233 VanDerWaalsContact CZ-CE2 3.41Å; F182-F233 AromaticContact CZ-CZ 3.37Å; F182-F233 HydrophobicContact CZ-CZ 3.37Å; F182-Y239 AromaticContact CD1-CE2 3.93Å; F182-Y239 HydrophobicContact CD1-CE2 3.93Å; F182-Y239 AromaticContact CD2-CE2 3.67Å; F182-Y239 HydrophobicContact CD2-CE2 3.67Å; F182-Y239 AromaticContact CE1-CE2 3.98Å; F182-Y239 HydrophobicContact CE1-CE2 3.98Å; F182-Y239 AromaticContact CE2-CE2 3.7Å; F182-Y239 HydrophobicContact CE2-CE2 3.7Å; F182-Y239 AromaticContact CG-CE2 3.78Å; F182-Y239 HydrophobicContact CG-CE2 3.78Å; F182-Y239 HydrophobicContact CZ-CD2 4.45Å; F182-Y239 AromaticContact CZ-CE2 3.86Å; F182-Y239 HydrophobicContact CZ-CE2 3.86Å
183H98.8Very high97Very high0 Ų029.9 Ų29.90%015%0.148CC..EExtended strand (participates in β ladder)trans-136.1109.9-168.8-173.2-54.9000110.9I116 I117 V185 L187 Y196 V225I116-H183 HydrophobicContact CG2-CB 4.18Å; I117-H183 PolarHBondContact O-N 2.84Å; H183-V185 PolarHBondContact O-N 3.39Å; H183-L187 PolarHBondContact CE1-O 3.35Å; H183-Y196 AromaticContact CD2-CE1 3.87Å; H183-Y196 AromaticContact CD2-CZ 3.91Å; H183-Y196 PolarHBondContact CD2-OH 3.06Å; H183-Y196 PolarHBondContact NE2-OH 3.47Å; H183-V225 HydrophobicContact CB-CG1 4.35Å
184D98.3Very high97.1Very high33 Ų3324.9 Ų24.918%0.17612%0.121CC..  trans-58.4134.3176-74.2-6.4000111.2K160 D186 L187 G224K160-D184 WeakPolarHBondContact CE-OD1 3.36Å; K160-D184 IonicContact NZ-OD1 2.78Å; K160-D184 PolarHBondContact NZ-OD1 3.16Å; K160-D184 IonicContact NZ-OD2 3.18Å; K160-D184 PolarHBondContact NZ-OD2 2.95Å; D184-D186 PolarHBondContact O-N 3.32Å; D184-D186 VanDerWaalsContact O-N 3.14Å; D184-L187 HydrophobicContact CB-CD1 4.28Å; D184-L187 HydrophobicContact CB-CG 4.28Å; D184-L187 PolarHBondContact O-N 2.91Å; D184-G224 WeakPolarHBondContact CB-O 3.1Å; D184-G224 PolarHBondContact N-O 3.1Å; D184-G224 WeakPolarHBondContact OD2-CA 3.38Å; D184-G224 PolarHBondContact OD2-N 2.64Å
185V98.1Very high97.1Very high12 Ų1225 Ų257%0.07313%0.126CC..THydrogen-bonded Turntrans-65.2-19.6-172.768.80000113.4I118 Y120 R123 H126 L127 L130 H183I118-V185 HydrophobicContact CG2-CB 3.79Å; I118-V185 HydrophobicContact CG2-CG2 3.98Å; Y120-V185 HydrophobicContact CD2-CG2 4.24Å; R123-V185 HydrophobicContact CB-CG1 3.74Å; R123-V185 HydrophobicContact CB-CG2 4.41Å; R123-V185 HydrophobicContact CG-CG1 3.85Å; H126-V185 HydrophobicContact CB-CG1 4.48Å; H126-V185 HydrophobicContact CB-CG2 3.98Å; L127-V185 HydrophobicContact CB-CG2 3.96Å; L127-V185 HydrophobicContact CD1-CG2 4.01Å; L130-V185 HydrophobicContact CD2-CG2 4.39Å; H183-V185 PolarHBondContact O-N 3.39Å
186D97.3Very high97.2Very high20 Ų2025 Ų2511%0.10713%0.126CC..THydrogen-bonded Turntrans-96.7-0-176.660.75.4000114.5D184 M276 L277 H279D184-D186 PolarHBondContact O-N 3.32Å; D184-D186 VanDerWaalsContact O-N 3.14Å; D186-M276 CarbonylContact O-C 3.58Å; D186-M276 WeakPolarHBondContact O-CA 3.47Å; D186-L277 WeakPolarHBondContact O-CB 3.29Å; D186-L277 PolarHBondContact O-N 3.34Å; D186-H279 IonicContact OD2-CD2 2.76Å; D186-H279 PolarHBondContact OD2-CD2 2.83Å; D186-H279 IonicContact OD2-CE1 2.64Å; D186-H279 IonicContact OD2-NE2 3.76Å; D186-H279 PolarHBondContact OD2-NE2 2.79Å
187L98.4Very high97.1Very high4 Ų426.1 Ų26.12%0.02113%0.132CC..EExtended strand (participates in β ladder)trans-98.9115.3178.2-67.5-176.2000112L130 H183 D184 V209 V225 F274 M276L130-L187 WeakPolarHBondContact CD1-O 3.39Å; H183-L187 PolarHBondContact CE1-O 3.35Å; D184-L187 HydrophobicContact CB-CD1 4.28Å; D184-L187 HydrophobicContact CB-CG 4.28Å; D184-L187 PolarHBondContact O-N 2.91Å; L187-V209 HydrophobicContact CD2-CG1 3.86Å; L187-V209 HydrophobicContact CD2-CG2 4.38Å; L187-V225 HydrophobicContact CB-CG2 4.38Å; L187-V225 HydrophobicContact CD1-CG2 4.04Å; L187-F274 HydrophobicContact CB-CD1 4.05Å; L187-M276 HydrophobicContact CD2-CB 3.99Å; L187-M276 HydrophobicContact CD2-CE 3.83Å; L187-M276 HydrophobicContact CD2-CG 4.18Å
188M98.3Very high96.9Very high29 Ų2926.1 Ų26.114%0.14313%0.132CC..EExtended strand (participates in β ladder)trans-97.6117.9-179.4-17463.259.300111.1K129 L130 R133 M190 F274 T275 L277K129-M188 HydrophobicContact CB-CE 3.8Å; L130-M188 HydrophobicContact CB-CE 4.33Å; L130-M188 HydrophobicContact CD1-CE 4.42Å; L130-M188 HydrophobicContact CD1-SD 4.4Å; R133-M188 HydrophobicContact CB-SD 3.56Å; R133-M188 VanDerWaalsContact CB-SD 3.56Å; R133-M188 HydrophobicContact CG-SD 3.46Å; R133-M188 WeakPolarHBondContact CG-SD 3.29Å; M188-M190 PolarHBondContact O-N 2.92Å; M188-F274 VanDerWaalsContact O-CA 3.27Å; M188-F274 WeakPolarHBondContact O-CA 3.15Å; M188-T275 WeakPolarHBondContact CB-O 3.49Å; M188-T275 PolarHBondContact N-O 2.7Å; M188-T275 PolarHBondContact O-N 3.38Å; M188-L277 HydrophobicContact CB-CD2 4.35Å; M188-L277 HydrophobicContact CB-CG 4.43Å; M188-L277 HydrophobicContact CE-CD1 3.95Å; M188-L277 HydrophobicContact CE-CD2 4.39Å
189P98.2Very high96.7Very high0 Ų025.2 Ų25.20%013%0.13CC..EExtended strand (participates in β ladder)trans-66.9123.7174.624.8-31.9000111.2R133 L134 L137 I194 F274R133-P189 HydrophobicContact CG-CG 3.86Å; R133-P189 VanDerWaalsContact CZ-O 3.31Å; R133-P189 PolarHBondContact NE-O 2.78Å; R133-P189 PolarHBondContact NH2-O 2.72Å; L134-P189 HydrophobicContact CD2-CG 4.2Å; L137-P189 HydrophobicContact CD1-CB 4.12Å; L137-P189 HydrophobicContact CD1-CG 4.24Å; P189-I194 HydrophobicContact CB-CD1 3.69Å; P189-F274 HydrophobicContact CB-CD1 4.22Å; P189-F274 HydrophobicContact CB-CE1 3.81Å; P189-F274 HydrophobicContact CB-CZ 4.33Å; P189-F274 HydrophobicContact CG-CE1 4.5Å
190M96.8Very high96.5Very high97 Ų9730.4 Ų30.448%0.47816%0.156SC..  trans-78.2-25.5-170.1-67.2-176.267.500114.5M188 Q273 T275M188-M190 PolarHBondContact O-N 2.92Å; M190-Q273 HydrophobicContact CB-CB 4.21Å; M190-Q273 WeakPolarHBondContact CB-O 3.32Å; M190-Q273 HydrophobicContact CG-CB 4.33Å; M190-Q273 WeakPolarHBondContact CG-O 3.49Å; M190-Q273 PolarHBondContact N-O 2.88Å; M190-Q273 HydrophobicContact SD-CB 3.83Å; M190-T275 WeakPolarHBondContact CG-OG1 3.5Å; M190-T275 PolarHBondContact SD-OG1 2.93Å
191N93.6Very high96.4Very high40 Ų4035.4 Ų35.421%0.21418%0.176CC..SBendtrans-141.6167.3-178.768.864.7000112.6R133 E193 I194 V271R133-N191 PolarHBondContact NH2-O 2.95Å; N191-E193 VanDerWaalsContact C-N 3.31Å; N191-E193 WeakPolarHBondContact OD1-CA 3.33Å; N191-E193 WeakPolarHBondContact OD1-CB 3.38Å; N191-E193 PolarHBondContact OD1-N 3.41Å; N191-I194 WeakPolarHBondContact OD1-CG1 3.5Å; N191-I194 PolarHBondContact OD1-N 2.66Å; N191-V271 PolarHBondContact ND2-O 2.75Å
192N93.3Very high96.4Very high53 Ų5335.5 Ų35.528%0.28318%0.176SC..THydrogen-bonded Turntrans-83.8-4.7-174.5-67.9-49.2000114.1R133 K140 Q141R133-N192 PolarHBondContact NH1-OD1 2.82Å; K140-N192 HydrophobicContact CD-CB 4.2Å; K140-N192 PolarHBondContact NZ-ND2 2.9Å; Q141-N192 PolarHBondContact NE2-O 3.25Å
193E95.3Very high96.4Very high145 Ų14535.8 Ų35.868%0.67818%0.178SC*.THydrogen-bonded Turntrans-87.2-12-179.5-61175.9-176.600112.1N191 D195 V271N191-E193 VanDerWaalsContact C-N 3.31Å; N191-E193 WeakPolarHBondContact OD1-CA 3.33Å; N191-E193 WeakPolarHBondContact OD1-CB 3.38Å; N191-E193 PolarHBondContact OD1-N 3.41Å; E193-D195 PolarHBondContact O-N 2.82Å; E193-D195 VanDerWaalsContact O-N 3.08Å; E193-V271 HydrophobicContact CB-CG1 3.71Å
194I97.2Very high96.3Very high1 Ų135.8 Ų35.81%0.00518%0.178CC..SBendtrans-59.7114.2173.3-53.4-174.3000109.2L137 Q141 P189 N191 Y196 I205 V271 Q273 F274L137-I194 HydrophobicContact CD1-CB 4.46Å; Q141-I194 PolarHBondContact NE2-O 2.82Å; P189-I194 HydrophobicContact CB-CD1 3.69Å; N191-I194 WeakPolarHBondContact OD1-CG1 3.5Å; N191-I194 PolarHBondContact OD1-N 2.66Å; I194-Y196 HydrophobicContact CB-CE2 4.36Å; I194-Y196 HydrophobicContact CG2-CD2 4.2Å; I194-Y196 HydrophobicContact CG2-CE2 3.77Å; I194-Y196 WeakPolarHBondContact O-CD2 3.34Å; I194-Y196 PolarHBondContact O-N 3.45Å; I194-I205 HydrophobicContact CG2-CG2 3.54Å; I194-V271 WeakPolarHBondContact CG1-O 3.22Å; I194-Q273 WeakPolarHBondContact CD1-O 3.42Å; I194-F274 HydrophobicContact CD1-CD2 4.43Å; I194-F274 HydrophobicContact CD1-CE2 4.02Å; I194-F274 HydrophobicContact CD1-CZ 4.2Å; I194-F274 HydrophobicContact CG2-CE2 4.06Å; I194-F274 HydrophobicContact CG2-CZ 3.88Å
195D95.3Very high96.3Very high58 Ų5834.3 Ų34.331%0.3117%0.17SC..  trans-78.2109.7-169.6175.124.2000113E193 T197 K203E193-D195 PolarHBondContact O-N 2.82Å; E193-D195 VanDerWaalsContact O-N 3.08Å; D195-T197 VanDerWaalsContact CG-OG1 3.22Å; D195-T197 WeakPolarHBondContact OD1-CA 3.48Å; D195-T197 WeakPolarHBondContact OD1-CB 3.43Å; D195-T197 WeakPolarHBondContact OD1-CG2 3.48Å; D195-T197 PolarHBondContact OD1-N 3.09Å; D195-T197 PolarHBondContact OD1-OG1 3.13Å; D195-T197 PolarHBondContact OD2-OG1 3.47Å; D195-T197 VanDerWaalsContact OD2-OG1 3.09Å; D195-K203 IonicContact OD2-NZ 3.45Å; D195-K203 PolarHBondContact OD2-NZ 3.05Å
196Y96.8Very high96.3Very high0 Ų034 Ų340%017%0.168CC..  trans-97.717.4174.2-82.4-116.2000112.5N114 L134 L137 L138 Q141 L143 I181 H183 I194N114-Y196 PolarHBondContact ND2-O 3.21Å; L134-Y196 HydrophobicContact CD2-CE1 3.87Å; L137-Y196 HydrophobicContact CD1-CD2 4.14Å; L137-Y196 HydrophobicContact CD1-CE2 3.95Å; L137-Y196 HydrophobicContact CD2-CD2 3.51Å; L137-Y196 HydrophobicContact CD2-CE2 4.08Å; L137-Y196 HydrophobicContact CD2-CG 3.82Å; L138-Y196 HydrophobicContact CD2-CD1 4.03Å; L138-Y196 HydrophobicContact CD2-CG 4.15Å; Q141-Y196 VanDerWaalsContact OE1-N 3.17Å; L143-Y196 WeakPolarHBondContact CD1-O 3.39Å; I181-Y196 HydrophobicContact CD1-CD1 3.79Å; I181-Y196 HydrophobicContact CD1-CG 4.3Å; I181-Y196 WeakPolarHBondContact CD1-O 3.43Å; I181-Y196 HydrophobicContact CG2-CD1 4.28Å; I181-Y196 HydrophobicContact CG2-CE1 4.24Å; H183-Y196 AromaticContact CD2-CE1 3.87Å; H183-Y196 AromaticContact CD2-CZ 3.91Å; H183-Y196 PolarHBondContact CD2-OH 3.06Å; H183-Y196 PolarHBondContact NE2-OH 3.47Å; I194-Y196 HydrophobicContact CB-CE2 4.36Å; I194-Y196 HydrophobicContact CG2-CD2 4.2Å; I194-Y196 HydrophobicContact CG2-CE2 3.77Å; I194-Y196 WeakPolarHBondContact O-CD2 3.34Å; I194-Y196 PolarHBondContact O-N 3.45Å
197T95.1Very high96.3Very high22 Ų2233.5 Ų33.514%0.13517%0.166CC..SBendtrans-74.4159.7174.168.70000112.4L143 D195 S199 K203L143-T197 HydrophobicContact CD2-CG2 3.94Å; D195-T197 VanDerWaalsContact CG-OG1 3.22Å; D195-T197 WeakPolarHBondContact OD1-CA 3.48Å; D195-T197 WeakPolarHBondContact OD1-CB 3.43Å; D195-T197 WeakPolarHBondContact OD1-CG2 3.48Å; D195-T197 PolarHBondContact OD1-N 3.09Å; D195-T197 PolarHBondContact OD1-OG1 3.13Å; D195-T197 PolarHBondContact OD2-OG1 3.47Å; D195-T197 VanDerWaalsContact OD2-OG1 3.09Å; T197-S199 PolarHBondContact O-N 2.66Å; T197-K203 PolarHBondContact O-NZ 3.16Å
198C93.6Very high96.3Very high0 Ų033.5 Ų33.50%017%0.166CC..  trans-8699.7-179.6-177.60000111.9P109 R112 N114 C179P109-C198 WeakPolarHBondContact CA-O 3.48Å; P109-C198 WeakPolarHBondContact CB-O 3.39Å; R112-C198 HydrophobicContact CB-CB 3.63Å; R112-C198 VanDerWaalsContact CD-SG 3.51Å; R112-C198 HydrophobicContact CG-CB 4.36Å; N114-C198 VanDerWaalsContact OD1-CB 3.28Å; N114-C198 WeakPolarHBondContact OD1-CB 3.39Å; C179-C198 HydrophobicContact CB-CB 3.63Å; C179-C198 WeakPolarHBondContact CB-SG 3.36Å; C179-C198 WeakPolarHBondContact SG-CA 3.35Å; C179-C198 WeakPolarHBondContact SG-CB 3.27Å; C179-C198 CovalentContact SG-SG 2.02Å; C179-C198 PolarHBondContact SG-SG 2.98Å
199S92.9Very high96.3Very high12 Ų1232.4 Ų32.48%0.08416%0.161CC..  trans-68.5167.4170.3450000112.4T197 Y201 K203 P229T197-S199 PolarHBondContact O-N 2.66Å; S199-Y201 VanDerWaalsContact C-N 3.34Å; S199-Y201 WeakPolarHBondContact CB-O 3.49Å; S199-Y201 PolarHBondContact OG-O 2.92Å; S199-K203 WeakPolarHBondContact OG-CE 3.46Å; S199-P229 WeakPolarHBondContact O-CG 3.33Å
200I92.6Very high96.3Very high109 Ų10935.6 Ų35.656%0.55918%0.178SC*.SBendtrans-77.2-21.4173.959.1170.1000113.2P229I200-P229 WeakPolarHBondContact O-CG 3.49Å
201Y97.1Very high96.2Very high105 Ų10536.6 Ų36.641%0.41218%0.18SC..SBendtrans-115155.5175.9-63.8-57.2000110.3S199 K203 P263 I265S199-Y201 VanDerWaalsContact C-N 3.34Å; S199-Y201 WeakPolarHBondContact CB-O 3.49Å; S199-Y201 PolarHBondContact OG-O 2.92Å; Y201-K203 PolarHBondContact O-N 2.93Å; Y201-P263 HydrophobicContact CD1-CG 3.62Å; Y201-P263 HydrophobicContact CD2-CG 4.31Å; Y201-P263 HydrophobicContact CE1-CG 3.72Å; Y201-P263 HydrophobicContact CE2-CG 4.39Å; Y201-P263 HydrophobicContact CG-CG 3.94Å; Y201-I265 HydrophobicContact CD2-CG2 4.3Å
202P98.5Very high96.3Very high1 Ų138.6 Ų38.61%0.00619%0.187CC..  trans-50.2134.8165.8-1620.7000111.4L226 S227 I228 A232 L257 I262 P263 V264 I265P202-L226 HydrophobicContact CB-CD1 4.38Å; P202-S227 CarbonylContact C-O 3.57Å; P202-S227 WeakPolarHBondContact CA-O 3.35Å; P202-I228 HydrophobicContact CB-CB 4.43Å; P202-I228 HydrophobicContact CB-CD1 4.37Å; P202-I228 HydrophobicContact CB-CG1 4.24Å; P202-I228 HydrophobicContact CG-CD1 4.09Å; P202-I228 HydrophobicContact CG-CG1 4.07Å; P202-A232 HydrophobicContact CG-CB 4.48Å; P202-L257 HydrophobicContact CB-CD1 4.34Å; P202-L257 HydrophobicContact CG-CD1 4.28Å; P202-L257 HydrophobicContact CG-CD2 3.76Å; P202-I262 VanDerWaalsContact CD-CG2 3.49Å; P202-I262 HydrophobicContact CG-CG2 3.57Å; P202-P263 WeakPolarHBondContact CD-O 3.4Å; P202-V264 HydrophobicContact CB-CG2 4.41Å; P202-V264 WeakPolarHBondContact O-CA 3.25Å; P202-I265 WeakPolarHBondContact O-CG1 3.2Å; P202-I265 PolarHBondContact O-N 3.3Å
203K98.2Very high96.5Very high11 Ų1143.3 Ų43.35%0.04821%0.207CC..EExtended strand (participates in β ladder)trans-122.7113.2-178.9-177-169.6-58.1168.30108.7D195 T197 S199 Y201 I205 S227 I265D195-K203 IonicContact OD2-NZ 3.45Å; D195-K203 PolarHBondContact OD2-NZ 3.05Å; T197-K203 PolarHBondContact O-NZ 3.16Å; S199-K203 WeakPolarHBondContact OG-CE 3.46Å; Y201-K203 PolarHBondContact O-N 2.93Å; K203-I205 HydrophobicContact CD-CG1 4.01Å; K203-I205 HydrophobicContact CG-CG1 4.08Å; K203-I205 PolarHBondContact O-N 3.35Å; K203-S227 PolarHBondContact N-O 2.85Å; K203-S227 PolarHBondContact O-N 3.34Å; K203-I265 VanDerWaalsContact CA-O 3.29Å; K203-I265 WeakPolarHBondContact CA-O 3.36Å; K203-I265 HydrophobicContact CB-CD1 4.24Å; K203-I265 HydrophobicContact CB-CG1 3.83Å; K203-I265 HydrophobicContact CG-CD1 4.35Å; K203-I265 HydrophobicContact CG-CG1 4.06Å
204H98.5Very high96.5Very high0 Ų040.1 Ų40.10%020%0.195CC..EExtended strand (participates in β ladder)trans-77.5107167.7177.6-137.7000107.6S206 V207 L221 I222 G223 V264 I265 R266 P267H204-S206 PolarHBondContact NE2-OG 2.97Å; H204-V207 VanDerWaalsContact O-CG1 3.29Å; H204-V207 WeakPolarHBondContact O-CG1 3.27Å; H204-L221 PolarHBondContact CE1-O 3.23Å; H204-L221 VanDerWaalsContact CE1-O 3.24Å; H204-L221 PolarHBondContact ND1-O 3.31Å; H204-I222 HydrophobicContact CB-CB 4.45Å; H204-I222 HydrophobicContact CB-CG2 4.23Å; H204-I222 PolarHBondContact CD2-O 3.37Å; H204-G223 PolarHBondContact CD2-O 3.43Å; H204-G223 PolarHBondContact NE2-O 2.79Å; H204-V264 HydrophobicContact CB-CG1 3.98Å; H204-I265 PolarHBondContact N-O 3.26Å; H204-R266 HydrophobicContact CB-CG 4.1Å; H204-R266 PolarHBondContact ND1-NE 3.49Å; H204-P267 WeakPolarHBondContact O-CD 3.27Å
205I98.2Very high96.5Very high1 Ų148.7 Ų48.71%0.00523%0.227CC..  trans-83.8-41.2-171.4-56.3-178.8000110.2I181 I194 K203 V207 V225 A272 F274I181-I205 HydrophobicContact CG2-CD1 4.22Å; I194-I205 HydrophobicContact CG2-CG2 3.54Å; K203-I205 HydrophobicContact CD-CG1 4.01Å; K203-I205 HydrophobicContact CG-CG1 4.08Å; K203-I205 PolarHBondContact O-N 3.35Å; I205-V207 VanDerWaalsContact C-N 3.27Å; I205-V207 PolarHBondContact O-N 2.9Å; I205-V225 HydrophobicContact CB-CB 4.11Å; I205-V225 HydrophobicContact CB-CG1 3.91Å; I205-V225 HydrophobicContact CD1-CG1 4.03Å; I205-V225 HydrophobicContact CG1-CG1 4.32Å; I205-V225 HydrophobicContact CG2-CG1 4.47Å; I205-V225 PolarHBondContact N-O 2.79Å; I205-A272 WeakPolarHBondContact O-CB 3.17Å; I205-F274 HydrophobicContact CG2-CE2 3.96Å; I205-F274 HydrophobicContact CG2-CZ 3.74Å
206S98Very high96.5Very high6 Ų648.1 Ų48.14%0.04222%0.224CC..  trans-83.562.1-17561.10000113.3H204 G223 V225H204-S206 PolarHBondContact NE2-OG 2.97Å; S206-G223 PolarHBondContact OG-O 3.43Å; S206-V225 PolarHBondContact OG-N 3.32Å
207V97.1Very high96.5Very high10 Ų1051.4 Ų51.46%0.06125%0.245CC..  trans-82.5-21.5-177.4-62.10000113.8H204 I205 R266 P267 P269 A272H204-V207 VanDerWaalsContact O-CG1 3.29Å; H204-V207 WeakPolarHBondContact O-CG1 3.27Å; I205-V207 VanDerWaalsContact C-N 3.27Å; I205-V207 PolarHBondContact O-N 2.9Å; V207-R266 HydrophobicContact CG1-CB 3.82Å; V207-R266 HydrophobicContact CG1-CG 3.58Å; V207-P267 HydrophobicContact CG2-CG 4.23Å; V207-P269 HydrophobicContact CG2-CB 4.05Å; V207-A272 HydrophobicContact CG2-CB 3.98Å
208S97.7Very high96.6Very high3 Ų354.6 Ų54.62%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-12698.7-177.1-174.30000108.9N214 P269 A272 Q273 F274S208-N214 WeakPolarHBondContact OG-CB 3.43Å; S208-P269 VanDerWaalsContact CB-O 3.29Å; S208-P269 WeakPolarHBondContact CB-O 3.12Å; S208-P269 PolarHBondContact OG-O 3.2Å; S208-A272 WeakPolarHBondContact CB-O 3.44Å; S208-Q273 CarbonylContact O-C 3.49Å; S208-Q273 WeakPolarHBondContact O-CA 3.02Å; S208-F274 PolarHBondContact O-N 3Å
209V98.2Very high96.7Very high7 Ų759.4 Ų59.44%0.04228%0.28CS..EExtended strand (participates in β ladder)trans-119.5129.9-178.8-174.90000109.7L187 K211 F212 N214 F274 M276L187-V209 HydrophobicContact CD2-CG1 3.86Å; L187-V209 HydrophobicContact CD2-CG2 4.38Å; V209-K211 VanDerWaalsContact C-N 3.33Å; V209-K211 HydrophobicContact CG1-CB 4.38Å; V209-K211 PolarHBondContact O-N 2.94Å; V209-F212 HydrophobicContact CB-CD2 3.92Å; V209-F212 HydrophobicContact CB-CE2 4.5Å; V209-F212 HydrophobicContact CG1-CD2 4.25Å; V209-F212 HydrophobicContact CG1-CE2 4.5Å; V209-F212 CarbonylContact O-C 3.5Å; V209-F212 PolarHBondContact O-N 2.86Å; V209-N214 WeakPolarHBondContact O-CA 3.31Å; V209-N214 PolarHBondContact O-N 3.24Å; V209-F274 WeakPolarHBondContact CA-O 3.37Å; V209-F274 HydrophobicContact CG2-CB 4.25Å; V209-M276 HydrophobicContact CG1-CB 4.04Å; V209-M276 HydrophobicContact CG1-CE 4.36Å
210D97.4Very high96.9Very high67 Ų6762.5 Ų62.536%0.35829%0.293SS..G310 helixtrans-55.7-40.7-175.168.6-22.8000114.4F212 Q213 N214 F274 T275 M276D210-F212 PolarHBondContact O-N 3.26Å; D210-F212 VanDerWaalsContact O-N 3.12Å; D210-Q213 PolarHBondContact O-N 3.45Å; D210-N214 VanDerWaalsContact CA-OD1 3.3Å; D210-N214 WeakPolarHBondContact CA-OD1 3.44Å; D210-N214 PolarHBondContact N-OD1 2.95Å; D210-F274 PolarHBondContact N-O 2.9Å; D210-F274 VanDerWaalsContact N-O 3.1Å; D210-T275 WeakPolarHBondContact OD2-CG2 3.42Å; D210-M276 PolarHBondContact OD1-N 2.83Å
211K96.3Very high97.2Very high117 Ų11758.5 Ų58.551%0.50927%0.272SS..G310 helixtrans-55.3-30.7176.2178.7176.4177.4-177.80112.8V209 M276V209-K211 VanDerWaalsContact C-N 3.33Å; V209-K211 HydrophobicContact CG1-CB 4.38Å; V209-K211 PolarHBondContact O-N 2.94Å; K211-M276 HydrophobicContact CB-CB 4.14Å; K211-M276 HydrophobicContact CB-SD 4.4Å; K211-M276 HydrophobicContact CD-CE 3.77Å; K211-M276 HydrophobicContact CD-CG 4.38Å; K211-M276 HydrophobicContact CD-SD 3.14Å; K211-M276 WeakPolarHBondContact CD-SD 3.47Å; K211-M276 HydrophobicContact CG-SD 4.4Å; K211-M276 PolarHBondContact NZ-SD 3.12Å
212F95.6Very high97.3Very high83 Ų8353.5 Ų53.536%0.36425%0.253SS..G310 helixtrans-102.128.7179.1-52.3-55.8000111.8V209 D210 N214 R215 P217 M276V209-F212 HydrophobicContact CB-CD2 3.92Å; V209-F212 HydrophobicContact CB-CE2 4.5Å; V209-F212 HydrophobicContact CG1-CD2 4.25Å; V209-F212 HydrophobicContact CG1-CE2 4.5Å; V209-F212 CarbonylContact O-C 3.5Å; V209-F212 PolarHBondContact O-N 2.86Å; D210-F212 PolarHBondContact O-N 3.26Å; D210-F212 VanDerWaalsContact O-N 3.12Å; F212-N214 PolarHBondContact O-N 2.8Å; F212-R215 WeakPolarHBondContact CB-O 3.29Å; F212-R215 PolarHBondContact O-N 3.36Å; F212-R215 VanDerWaalsContact O-N 3.08Å; F212-P217 HydrophobicContact CB-CG 4.01Å; F212-P217 HydrophobicContact CD1-CG 3.94Å; F212-P217 HydrophobicContact CD2-CG 3.9Å; F212-P217 HydrophobicContact CE1-CG 4.39Å; F212-P217 HydrophobicContact CE2-CG 4.38Å; F212-P217 HydrophobicContact CG-CG 3.68Å; F212-M276 HydrophobicContact CE2-CE 4.29Å; F212-M276 HydrophobicContact CZ-CE 4.41Å
213Q96.6Very high97.2Very high152 Ų15254 Ų5471%0.7126%0.258SS*.THydrogen-bonded Turntrans56.734.8-178.7-53.7175.87.500112.6D210 R215D210-Q213 PolarHBondContact O-N 3.45Å; Q213-R215 PolarHBondContact O-N 3.27Å
214N96.5Very high97.2Very high78 Ų7854 Ų5442%0.41726%0.261SS..THydrogen-bonded Turntrans57.733.7-176.8-59.6-42.4000113.3S208 V209 D210 F212S208-N214 WeakPolarHBondContact OG-CB 3.43Å; V209-N214 WeakPolarHBondContact O-CA 3.31Å; V209-N214 PolarHBondContact O-N 3.24Å; D210-N214 VanDerWaalsContact CA-OD1 3.3Å; D210-N214 WeakPolarHBondContact CA-OD1 3.44Å; D210-N214 PolarHBondContact N-OD1 2.95Å; F212-N214 PolarHBondContact O-N 2.8Å
215R95.5Very high97.2Very high180 Ų18054 Ų5468%0.67926%0.261SS*.SBendtrans-126.8151.1177.1-64.8178.1-176-173.80.8110.6F212 Q213 P217F212-R215 WeakPolarHBondContact CB-O 3.29Å; F212-R215 PolarHBondContact O-N 3.36Å; F212-R215 VanDerWaalsContact O-N 3.08Å; Q213-R215 PolarHBondContact O-N 3.27Å; R215-P217 VanDerWaalsContact O-CD 3.32Å; R215-P217 WeakPolarHBondContact O-CD 3.22Å
216L96.5Very high97.2Very high47 Ų4754 Ų5425%0.24626%0.261CS..  trans-73.6119.5168.6-171.470.7000108.9Y218 I219 L221L216-Y218 VanDerWaalsContact C-N 3.34Å; L216-Y218 WeakPolarHBondContact CD2-O 3.49Å; L216-Y218 VanDerWaalsContact CG-O 3.27Å; L216-Y218 WeakPolarHBondContact CG-O 3.46Å; L216-Y218 PolarHBondContact O-N 3.45Å; L216-I219 HydrophobicContact CD2-CD1 4.2Å; L216-L221 HydrophobicContact CD1-CB 4.14Å; L216-L221 HydrophobicContact CD1-CD2 4.08Å; L216-L221 HydrophobicContact CD1-CG 4.44Å
217P96.4Very high97.3Very high68 Ų6853.7 Ų53.744%0.44226%0.259SS..SBendtrans-58.9-38.2-178-28.436.6000114.9F212 R215 L221F212-P217 HydrophobicContact CB-CG 4.01Å; F212-P217 HydrophobicContact CD1-CG 3.94Å; F212-P217 HydrophobicContact CD2-CG 3.9Å; F212-P217 HydrophobicContact CE1-CG 4.39Å; F212-P217 HydrophobicContact CE2-CG 4.38Å; F212-P217 HydrophobicContact CG-CG 3.68Å; R215-P217 VanDerWaalsContact O-CD 3.32Å; R215-P217 WeakPolarHBondContact O-CD 3.22Å; P217-L221 HydrophobicContact CG-CD2 3.98Å
218Y97.2Very high97.3Very high90 Ų9053.2 Ų53.235%0.35326%0.256SS..SBendtrans-157.5155.7176.454.7-87.3000110L216 E220 L221 D251L216-Y218 VanDerWaalsContact C-N 3.34Å; L216-Y218 WeakPolarHBondContact CD2-O 3.49Å; L216-Y218 VanDerWaalsContact CG-O 3.27Å; L216-Y218 WeakPolarHBondContact CG-O 3.46Å; L216-Y218 PolarHBondContact O-N 3.45Å; Y218-E220 VanDerWaalsContact C-N 3.28Å; Y218-E220 HydrophobicContact CD2-CB 3.89Å; Y218-E220 HydrophobicContact CE2-CB 4.13Å; Y218-E220 PolarHBondContact O-N 3.44Å; Y218-L221 HydrophobicContact CD1-CB 4.33Å; Y218-L221 HydrophobicContact CD2-CB 3.86Å; Y218-L221 VanDerWaalsContact CD2-N 3.31Å; Y218-L221 HydrophobicContact CE1-CB 4.05Å; Y218-L221 HydrophobicContact CE1-CD1 4.2Å; Y218-L221 HydrophobicContact CE2-CB 3.58Å; Y218-L221 HydrophobicContact CE2-CD1 4.36Å; Y218-L221 VanDerWaalsContact CE2-N 3.29Å; Y218-L221 HydrophobicContact CG-CB 4.23Å; Y218-L221 WeakPolarHBondContact O-CB 3.43Å; Y218-L221 PolarHBondContact O-N 2.77Å; Y218-L221 WeakPolarHBondContact OH-CD1 3.4Å; Y218-D251 WeakPolarHBondContact CE2-OD1 2.81Å; Y218-D251 PolarHBondContact OH-OD1 2.95Å
219I96.1Very high97.4Very high100 Ų10053.8 Ų53.851%0.51326%0.259SS..THydrogen-bonded Turntrans-72.9-21.7-166.3-166.364.1000113.4L216 L221 R266L216-I219 HydrophobicContact CD2-CD1 4.2Å; I219-L221 VanDerWaalsContact C-N 3.35Å; I219-R266 VanDerWaalsContact O-CZ 3.25Å; I219-R266 PolarHBondContact O-NH1 3.35Å; I219-R266 PolarHBondContact O-NH2 2.89Å
220E97.5Very high97.3Very high78 Ų7854 Ų5436%0.36426%0.26SS..THydrogen-bonded Turntrans-80.4-16.6177.8-56.778.4-173.600112.3Y218 I222 Y254Y218-E220 VanDerWaalsContact C-N 3.28Å; Y218-E220 HydrophobicContact CD2-CB 3.89Å; Y218-E220 HydrophobicContact CE2-CB 4.13Å; Y218-E220 PolarHBondContact O-N 3.44Å; E220-I222 PolarHBondContact O-N 2.79Å; E220-Y254 HydrophobicContact CB-CD1 3.67Å; E220-Y254 HydrophobicContact CB-CE1 3.6Å; E220-Y254 HydrophobicContact CB-CE2 4.49Å; E220-Y254 HydrophobicContact CB-CG 4.14Å; E220-Y254 HydrophobicContact CG-CD1 3.98Å; E220-Y254 HydrophobicContact CG-CE1 3.46Å; E220-Y254 VanDerWaalsContact CG-CE1 3.46Å; E220-Y254 WeakPolarHBondContact O-CB 3.33Å; E220-Y254 VanDerWaalsContact O-CD2 3.23Å; E220-Y254 WeakPolarHBondContact O-CD2 3.46Å; E220-Y254 VanDerWaalsContact O-CG 3.26Å
221L98.1Very high97.3Very high24 Ų2458.1 Ų58.113%0.12628%0.275CS..  trans-63.6122.9-177.9-179.269.2000111H204 L216 P217 Y218 I219 D250 R266H204-L221 PolarHBondContact CE1-O 3.23Å; H204-L221 VanDerWaalsContact CE1-O 3.24Å; H204-L221 PolarHBondContact ND1-O 3.31Å; L216-L221 HydrophobicContact CD1-CB 4.14Å; L216-L221 HydrophobicContact CD1-CD2 4.08Å; L216-L221 HydrophobicContact CD1-CG 4.44Å; P217-L221 HydrophobicContact CG-CD2 3.98Å; Y218-L221 HydrophobicContact CD1-CB 4.33Å; Y218-L221 HydrophobicContact CD2-CB 3.86Å; Y218-L221 VanDerWaalsContact CD2-N 3.31Å; Y218-L221 HydrophobicContact CE1-CB 4.05Å; Y218-L221 HydrophobicContact CE1-CD1 4.2Å; Y218-L221 HydrophobicContact CE2-CB 3.58Å; Y218-L221 HydrophobicContact CE2-CD1 4.36Å; Y218-L221 VanDerWaalsContact CE2-N 3.29Å; Y218-L221 HydrophobicContact CG-CB 4.23Å; Y218-L221 WeakPolarHBondContact O-CB 3.43Å; Y218-L221 PolarHBondContact O-N 2.77Å; Y218-L221 WeakPolarHBondContact OH-CD1 3.4Å; I219-L221 VanDerWaalsContact C-N 3.35Å; L221-D250 WeakPolarHBondContact CD1-OD2 3.37Å; L221-R266 PolarHBondContact O-NH2 3.43Å
222I98.4Very high97.4Very high1 Ų153.1 Ų53.11%0.00526%0.256CS..  trans-129.18173.264172.6000113.8H204 E220 L226 D250 M253 Y254 L257 V264H204-I222 HydrophobicContact CB-CB 4.45Å; H204-I222 HydrophobicContact CB-CG2 4.23Å; H204-I222 PolarHBondContact CD2-O 3.37Å; E220-I222 PolarHBondContact O-N 2.79Å; I222-L226 HydrophobicContact CB-CD1 4.38Å; I222-L226 HydrophobicContact CD1-CD2 3.99Å; I222-D250 HydrophobicContact CG1-CB 4.47Å; I222-D250 WeakPolarHBondContact CG1-O 3.07Å; I222-M253 HydrophobicContact CD1-CB 4.01Å; I222-M253 HydrophobicContact CD1-CG 3.69Å; I222-Y254 HydrophobicContact CD1-CD2 4.42Å; I222-Y254 HydrophobicContact CG2-CD2 3.76Å; I222-Y254 HydrophobicContact CG2-CE2 4.48Å; I222-L257 HydrophobicContact CD1-CD1 3.87Å; I222-V264 HydrophobicContact CG2-CG1 3.99Å; I222-V264 HydrophobicContact CG2-CG2 4.38Å
223G97.5Very high97.6Very high11 Ų1149.2 Ų49.211%0.11324%0.238CC..  trans-68.6176.1172.400000113.7H204 S206 V225 D250H204-G223 PolarHBondContact CD2-O 3.43Å; H204-G223 PolarHBondContact NE2-O 2.79Å; S206-G223 PolarHBondContact OG-O 3.43Å; G223-V225 PolarHBondContact O-N 3.18Å; G223-D250 WeakPolarHBondContact CA-OD2 3.34Å; G223-D250 PolarHBondContact N-OD2 2.91Å
224G98.1Very high97.7Very high10 Ų1042.4 Ų42.410%0.10321%0.207CC..SBendtrans87.7-91-173.300000112D184D184-G224 WeakPolarHBondContact CB-O 3.1Å; D184-G224 PolarHBondContact N-O 3.1Å; D184-G224 WeakPolarHBondContact OD2-CA 3.38Å; D184-G224 PolarHBondContact OD2-N 2.64Å
225V98.7Very high97.7Very high0 Ų045.1 Ų45.10%021%0.211CC..EExtended strand (participates in β ladder)trans-128.9111.2178.8-170.30000110.7I181 F182 H183 L187 I205 S206 G223 F274I181-V225 HydrophobicContact CG2-CG1 3.88Å; F182-V225 CarbonylContact O-C 3.57Å; F182-V225 VanDerWaalsContact O-CA 3.27Å; F182-V225 WeakPolarHBondContact O-CA 3.47Å; H183-V225 HydrophobicContact CB-CG1 4.35Å; L187-V225 HydrophobicContact CB-CG2 4.38Å; L187-V225 HydrophobicContact CD1-CG2 4.04Å; I205-V225 HydrophobicContact CB-CB 4.11Å; I205-V225 HydrophobicContact CB-CG1 3.91Å; I205-V225 HydrophobicContact CD1-CG1 4.03Å; I205-V225 HydrophobicContact CG1-CG1 4.32Å; I205-V225 HydrophobicContact CG2-CG1 4.47Å; I205-V225 PolarHBondContact N-O 2.79Å; S206-V225 PolarHBondContact OG-N 3.32Å; G223-V225 PolarHBondContact O-N 3.18Å; V225-F274 HydrophobicContact CB-CZ 4.5Å; V225-F274 HydrophobicContact CG2-CD1 4.45Å; V225-F274 HydrophobicContact CG2-CE1 3.83Å; V225-F274 HydrophobicContact CG2-CZ 4.19Å
226L98.8Very high97.9Very high2 Ų236.5 Ų36.51%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-121.4119.2179.6178.864.8000110.2I181 F182 P202 I222 M253I181-L226 CarbonylContact C-O 3.56Å; I181-L226 WeakPolarHBondContact CA-O 3.43Å; F182-L226 PolarHBondContact N-O 2.87Å; F182-L226 PolarHBondContact O-N 3.45Å; P202-L226 HydrophobicContact CB-CD1 4.38Å; I222-L226 HydrophobicContact CB-CD1 4.38Å; I222-L226 HydrophobicContact CD1-CD2 3.99Å; L226-M253 HydrophobicContact CD2-CG 4.03Å
227S98.6Very high98Very high0 Ų034.4 Ų34.40%017%0.168CC..EExtended strand (participates in β ladder)trans-93.3128.4166.11720000109.6A180 P202 K203A180-S227 CarbonylContact O-C 3.58Å; A180-S227 WeakPolarHBondContact O-CA 3.48Å; P202-S227 CarbonylContact C-O 3.57Å; P202-S227 WeakPolarHBondContact CA-O 3.35Å; K203-S227 PolarHBondContact N-O 2.85Å; K203-S227 PolarHBondContact O-N 3.34Å
228I98.7Very high98.1Very high0 Ų031.1 Ų31.10%015%0.147CC..EExtended strand (participates in β ladder)trans-135.2132.5179.1-175.1158.4000111.3C179 A180 F182 P202 A232 F233 M253 L257C179-I228 VanDerWaalsContact CA-O 3.32Å; C179-I228 WeakPolarHBondContact CA-O 3.34Å; A180-I228 PolarHBondContact N-O 3.41Å; A180-I228 PolarHBondContact O-N 2.99Å; F182-I228 HydrophobicContact CD2-CG2 4.06Å; F182-I228 HydrophobicContact CE2-CG2 3.56Å; P202-I228 HydrophobicContact CB-CB 4.43Å; P202-I228 HydrophobicContact CB-CD1 4.37Å; P202-I228 HydrophobicContact CB-CG1 4.24Å; P202-I228 HydrophobicContact CG-CD1 4.09Å; P202-I228 HydrophobicContact CG-CG1 4.07Å; I228-A232 HydrophobicContact CD1-CB 4.14Å; I228-A232 HydrophobicContact CG1-CB 3.83Å; I228-F233 HydrophobicContact CD1-CB 4.23Å; I228-F233 HydrophobicContact CD1-CD2 4.16Å; I228-F233 HydrophobicContact CG1-CB 4.15Å; I228-F233 HydrophobicContact CG2-CB 4.09Å; I228-F233 HydrophobicContact CG2-CD2 3.71Å; I228-F233 HydrophobicContact CG2-CG 4.21Å; I228-M253 HydrophobicContact CD1-SD 4.5Å; I228-L257 HydrophobicContact CD1-CD2 3.82Å
229P97.9Very high98.2Very high14 Ų1427.3 Ų27.39%0.09113%0.131CC..EExtended strand (participates in β ladder)trans-59.6140.7172.3-23.933.5000111.7H178 S199 I200 K231 A232 F233H178-P229 WeakPolarHBondContact O-CA 3.41Å; S199-P229 WeakPolarHBondContact O-CG 3.33Å; I200-P229 WeakPolarHBondContact O-CG 3.49Å; P229-K231 PolarHBondContact O-N 2.8Å; P229-K231 VanDerWaalsContact O-N 3.16Å; P229-A232 HydrophobicContact CB-CB 4.23Å; P229-A232 HydrophobicContact CG-CB 4.46Å; P229-A232 WeakPolarHBondContact O-CA 3.38Å; P229-A232 WeakPolarHBondContact O-CB 3.42Å; P229-A232 PolarHBondContact O-N 2.94Å; P229-F233 PolarHBondContact O-N 2.95Å
230L97.8Very high98.3Very high11 Ų1122.5 Ų22.56%0.05811%0.107CC..Hα-helixtrans-48.8-46.4178.6174.5152.5000111.7W75 F168 L172 F177 H178 A232 F233 L234W75-L230 HydrophobicContact CG-CD1 4.47Å; F168-L230 HydrophobicContact CZ-CG 4.08Å; L172-L230 HydrophobicContact CD2-CD1 3.78Å; F177-L230 HydrophobicContact CD2-CD1 4.3Å; F177-L230 HydrophobicContact CE2-CB 4.34Å; F177-L230 HydrophobicContact CE2-CD1 3.96Å; F177-L230 HydrophobicContact CZ-CD1 4.27Å; F177-L230 WeakPolarHBondContact O-CD1 3.24Å; H178-L230 WeakPolarHBondContact O-CB 3.35Å; H178-L230 PolarHBondContact O-N 3.31Å; L230-A232 VanDerWaalsContact C-N 3.35Å; L230-A232 PolarHBondContact O-N 2.89Å; L230-F233 PolarHBondContact O-N 3.37Å; L230-L234 HydrophobicContact CD2-CD1 3.52Å; L230-L234 HydrophobicContact CD2-CG 4.37Å; L230-L234 HydrophobicContact CG-CD1 4.24Å; L230-L234 WeakPolarHBondContact O-CG 3.42Å; L230-L234 PolarHBondContact O-N 3.26Å
231K96.8Very high98.2Very high155 Ų15519.3 Ų19.367%0.6749%0.092SC*.Hα-helixtrans-63.8-38179-67.7-173.5176.8-174.70113P229 R235P229-K231 PolarHBondContact O-N 2.8Å; P229-K231 VanDerWaalsContact O-N 3.16Å; K231-R235 VanDerWaalsContact O-CB 3.32Å; K231-R235 WeakPolarHBondContact O-CB 3.49Å; K231-R235 PolarHBondContact O-N 3.01Å
232A98.4Very high98Very high12 Ų1218.5 Ų18.510%0.0999%0.088CC..Hα-helixtrans-68.7-43.9176.900000110.4P202 I228 P229 L230 L234 R235 V236 I262P202-A232 HydrophobicContact CG-CB 4.48Å; I228-A232 HydrophobicContact CD1-CB 4.14Å; I228-A232 HydrophobicContact CG1-CB 3.83Å; P229-A232 HydrophobicContact CB-CB 4.23Å; P229-A232 HydrophobicContact CG-CB 4.46Å; P229-A232 WeakPolarHBondContact O-CA 3.38Å; P229-A232 WeakPolarHBondContact O-CB 3.42Å; P229-A232 PolarHBondContact O-N 2.94Å; L230-A232 VanDerWaalsContact C-N 3.35Å; L230-A232 PolarHBondContact O-N 2.89Å; A232-L234 PolarHBondContact O-N 3.03Å; A232-R235 PolarHBondContact O-N 3.2Å; A232-V236 WeakPolarHBondContact O-CG2 3.39Å; A232-V236 PolarHBondContact O-N 3.45Å; A232-I262 HydrophobicContact CB-CD1 4.29Å; A232-I262 HydrophobicContact CB-CG2 4.5Å
233F98.7Very high97.8Very high0 Ų018.8 Ų18.80%09%0.089CC..Hα-helixtrans-61.9-41.6178-164.7-107.5000112.5N165 F168 F182 I228 P229 L230 V236 N237 G238 Y239 M253 I306N165-F233 WeakPolarHBondContact OD1-CZ 3.16Å; F168-F233 HydrophobicContact CB-CD1 4.49Å; F168-F233 HydrophobicContact CB-CE1 3.82Å; F168-F233 AromaticContact CD1-CD1 3.75Å; F168-F233 HydrophobicContact CD1-CD1 3.75Å; F168-F233 AromaticContact CD1-CE1 3.7Å; F168-F233 HydrophobicContact CD1-CE1 3.7Å; F168-F233 AromaticContact CD2-CD1 3.39Å; F168-F233 HydrophobicContact CD2-CD1 3.39Å; F168-F233 AromaticContact CD2-CE1 3.58Å; F168-F233 HydrophobicContact CD2-CE1 3.58Å; F168-F233 HydrophobicContact CD2-CG 4.19Å; F168-F233 AromaticContact CE1-CD1 3.71Å; F168-F233 HydrophobicContact CE1-CD1 3.71Å; F168-F233 HydrophobicContact CE1-CE1 4.14Å; F168-F233 HydrophobicContact CE2-CB 4.04Å; F168-F233 AromaticContact CE2-CD1 3.32Å; F168-F233 HydrophobicContact CE2-CD1 3.32Å; F168-F233 HydrophobicContact CE2-CE1 4.01Å; F168-F233 AromaticContact CE2-CG 3.94Å; F168-F233 HydrophobicContact CE2-CG 3.94Å; F168-F233 AromaticContact CG-CD1 3.61Å; F168-F233 HydrophobicContact CG-CD1 3.61Å; F168-F233 AromaticContact CG-CE1 3.4Å; F168-F233 HydrophobicContact CG-CE1 3.4Å; F168-F233 VanDerWaalsContact CG-CE1 3.4Å; F168-F233 HydrophobicContact CG-CZ 4.45Å; F168-F233 HydrophobicContact CZ-CB 4.28Å; F168-F233 AromaticContact CZ-CD1 3.49Å; F168-F233 HydrophobicContact CZ-CD1 3.49Å; F168-F233 VanDerWaalsContact CZ-CD1 3.49Å; F168-F233 HydrophobicContact CZ-CE1 4.28Å; F168-F233 HydrophobicContact CZ-CG 4.3Å; F182-F233 HydrophobicContact CE1-CZ 4.27Å; F182-F233 AromaticContact CE2-CD2 3.8Å; F182-F233 HydrophobicContact CE2-CD2 3.8Å; F182-F233 AromaticContact CE2-CE2 3.4Å; F182-F233 HydrophobicContact CE2-CE2 3.4Å; F182-F233 VanDerWaalsContact CE2-CE2 3.4Å; F182-F233 AromaticContact CE2-CZ 3.91Å; F182-F233 HydrophobicContact CE2-CZ 3.91Å; F182-F233 HydrophobicContact CZ-CD2 4.08Å; F182-F233 HydrophobicContact CZ-CE1 4.03Å; F182-F233 AromaticContact CZ-CE2 3.41Å; F182-F233 HydrophobicContact CZ-CE2 3.41Å; F182-F233 VanDerWaalsContact CZ-CE2 3.41Å; F182-F233 AromaticContact CZ-CZ 3.37Å; F182-F233 HydrophobicContact CZ-CZ 3.37Å; I228-F233 HydrophobicContact CD1-CB 4.23Å; I228-F233 HydrophobicContact CD1-CD2 4.16Å; I228-F233 HydrophobicContact CG1-CB 4.15Å; I228-F233 HydrophobicContact CG2-CB 4.09Å; I228-F233 HydrophobicContact CG2-CD2 3.71Å; I228-F233 HydrophobicContact CG2-CG 4.21Å; P229-F233 PolarHBondContact O-N 2.95Å; L230-F233 PolarHBondContact O-N 3.37Å; F233-V236 WeakPolarHBondContact O-CG2 3.49Å; F233-N237 PolarHBondContact O-N 3.16Å; F233-G238 VanDerWaalsContact CZ-CA 3.43Å; F233-G238 PolarHBondContact O-N 3.45Å; F233-Y239 AromaticContact CE2-CD2 3.65Å; F233-Y239 HydrophobicContact CE2-CD2 3.65Å; F233-Y239 AromaticContact CE2-CE2 3.7Å; F233-Y239 HydrophobicContact CE2-CE2 3.7Å; F233-Y239 AromaticContact CZ-CD2 3.78Å; F233-Y239 HydrophobicContact CZ-CD2 3.78Å; F233-Y239 HydrophobicContact CZ-CE2 4.15Å; F233-M253 HydrophobicContact CD2-CE 4.04Å; F233-M253 HydrophobicContact CE2-CE 3.59Å; F233-I306 HydrophobicContact CD1-CD1 3.72Å; F233-I306 HydrophobicContact CE1-CD1 3.57Å; F233-I306 HydrophobicContact CE1-CG1 4.31Å
234L98.5Very high97.6Very high10 Ų1019 Ų195%0.0529%0.087CC..Hα-helixtrans-64.4-43.8173.5-68.7173.5000111.9V64 V71 V72 F168 L230 A232 V236 N237 I306V64-L234 VanDerWaalsContact CG1-O 3.29Å; V64-L234 WeakPolarHBondContact CG1-O 3.33Å; V71-L234 HydrophobicContact CB-CD1 3.93Å; V71-L234 HydrophobicContact CB-CD2 4.07Å; V71-L234 HydrophobicContact CG1-CD1 3.66Å; V71-L234 HydrophobicContact CG1-CD2 4.06Å; V71-L234 HydrophobicContact CG1-CG 4.43Å; V71-L234 HydrophobicContact CG2-CD2 4.01Å; V72-L234 HydrophobicContact CG2-CD1 4.27Å; F168-L234 HydrophobicContact CE1-CD2 3.96Å; F168-L234 HydrophobicContact CZ-CD2 4.26Å; F168-L234 HydrophobicContact CZ-CG 4.35Å; L230-L234 HydrophobicContact CD2-CD1 3.52Å; L230-L234 HydrophobicContact CD2-CG 4.37Å; L230-L234 HydrophobicContact CG-CD1 4.24Å; L230-L234 WeakPolarHBondContact O-CG 3.42Å; L230-L234 PolarHBondContact O-N 3.26Å; A232-L234 PolarHBondContact O-N 3.03Å; L234-V236 VanDerWaalsContact C-N 3.28Å; L234-V236 PolarHBondContact O-N 3.3Å; L234-N237 PolarHBondContact O-N 2.81Å; L234-I306 HydrophobicContact CD2-CD1 4.3Å
235R98.3Very high97.3Very high134 Ų13419 Ų1951%0.5069%0.086SC..Hα-helixtrans-62.3-34.3-179.5-178.1170.9174.3-167.30.2112.9K231 A232 N237 N260 I262K231-R235 VanDerWaalsContact O-CB 3.32Å; K231-R235 WeakPolarHBondContact O-CB 3.49Å; K231-R235 PolarHBondContact O-N 3.01Å; A232-R235 PolarHBondContact O-N 3.2Å; R235-N237 VanDerWaalsContact C-N 3.29Å; R235-N260 WeakPolarHBondContact CG-OD1 3.45Å; R235-N260 PolarHBondContact NE-OD1 3.41Å; R235-N260 PolarHBondContact NH2-O 3.25Å; R235-N260 VanDerWaalsContact NH2-O 3.12Å; R235-I262 HydrophobicContact CG-CD1 4.45Å
236V98.7Very high96.9Very high0 Ų026.7 Ų26.70%012%0.115CC..THydrogen-bonded Turntrans-87.85.2175.2-590000113.7A232 F233 L234 G238 M253 R256 L257 N260 I262A232-V236 WeakPolarHBondContact O-CG2 3.39Å; A232-V236 PolarHBondContact O-N 3.45Å; F233-V236 WeakPolarHBondContact O-CG2 3.49Å; L234-V236 VanDerWaalsContact C-N 3.28Å; L234-V236 PolarHBondContact O-N 3.3Å; V236-G238 VanDerWaalsContact C-N 3.25Å; V236-G238 PolarHBondContact O-N 3.39Å; V236-M253 HydrophobicContact CG2-CE 4.34Å; V236-M253 HydrophobicContact CG2-SD 3.74Å; V236-R256 HydrophobicContact CB-CB 3.88Å; V236-R256 HydrophobicContact CG1-CB 4.19Å; V236-R256 WeakPolarHBondContact O-CD 3.49Å; V236-R256 PolarHBondContact O-NH1 2.71Å; V236-L257 HydrophobicContact CG1-CD2 3.72Å; V236-L257 HydrophobicContact CG1-CG 4.27Å; V236-N260 HydrophobicContact CG1-CB 4.31Å; V236-I262 HydrophobicContact CG1-CD1 3.9Å
237N98.7Very high96.5Very high2 Ų227.1 Ų27.11%0.01112%0.12CC..THydrogen-bonded Turntrans59.831-178.1-165.126.5000113.7V64 F233 L234 R235 R256 Y301 D304 G305 I306 N307V64-N237 HydrophobicContact CG1-CB 4.06Å; V64-N237 HydrophobicContact CG2-CB 3.83Å; F233-N237 PolarHBondContact O-N 3.16Å; L234-N237 PolarHBondContact O-N 2.81Å; R235-N237 VanDerWaalsContact C-N 3.29Å; N237-R256 PolarHBondContact O-NH1 3.22Å; N237-Y301 HydrophobicContact CB-CD2 4.48Å; N237-Y301 WeakPolarHBondContact CB-O 3.31Å; N237-Y301 PolarHBondContact ND2-O 2.99Å; N237-D304 PolarHBondContact ND2-O 2.8Å; N237-G305 PolarHBondContact ND2-N 2.82Å; N237-G305 CarbonylContact O-C 3.45Å; N237-G305 WeakPolarHBondContact O-CA 3.4Å; N237-I306 PolarHBondContact O-N 3.08Å; N237-I306 PolarHBondContact OD1-N 2.91Å; N237-I306 VanDerWaalsContact OD1-N 3.13Å; N237-N307 PolarHBondContact ND2-OD1 2.85Å; N237-N307 PolarHBondContact OD1-N 3.19Å; N237-N307 VanDerWaalsContact OD1-N 3.12Å; N237-N307 PolarHBondContact OD1-OD1 2.81Å
238G98.7Very high96.4Very high0 Ų027.3 Ų27.30%012%0.122CC..SBendtrans61.3-159.4-177.600000114.6F233 V236 M253 R256F233-G238 VanDerWaalsContact CZ-CA 3.43Å; F233-G238 PolarHBondContact O-N 3.45Å; V236-G238 VanDerWaalsContact C-N 3.25Å; V236-G238 PolarHBondContact O-N 3.39Å; G238-M253 WeakPolarHBondContact O-CE 3.44Å; G238-R256 WeakPolarHBondContact O-CD 3.23Å; G238-R256 PolarHBondContact O-NH1 3.24Å
239Y98.8Very high96.3Very high9 Ų927.9 Ų27.94%0.03512%0.124CC..SBendtrans-76.5154.2177.3-72.8-84.5000111.6M164 N165 F182 F233 M253 G305M164-Y239 HydrophobicContact CB-CD2 3.96Å; M164-Y239 HydrophobicContact CB-CE2 4.18Å; M164-Y239 HydrophobicContact CE-CD1 3.63Å; M164-Y239 HydrophobicContact CE-CD2 3.47Å; M164-Y239 VanDerWaalsContact CE-CD2 3.47Å; M164-Y239 HydrophobicContact CE-CE1 3.59Å; M164-Y239 HydrophobicContact CE-CE2 3.42Å; M164-Y239 VanDerWaalsContact CE-CE2 3.42Å; M164-Y239 HydrophobicContact CE-CG 3.58Å; M164-Y239 VanDerWaalsContact CE-CZ 3.48Å; M164-Y239 HydrophobicContact SD-CD2 4.25Å; M164-Y239 HydrophobicContact SD-CE2 3.76Å; N165-Y239 PolarHBondContact ND2-O 2.99Å; N165-Y239 PolarHBondContact OD1-N 3.28Å; F182-Y239 AromaticContact CD1-CE2 3.93Å; F182-Y239 HydrophobicContact CD1-CE2 3.93Å; F182-Y239 AromaticContact CD2-CE2 3.67Å; F182-Y239 HydrophobicContact CD2-CE2 3.67Å; F182-Y239 AromaticContact CE1-CE2 3.98Å; F182-Y239 HydrophobicContact CE1-CE2 3.98Å; F182-Y239 AromaticContact CE2-CE2 3.7Å; F182-Y239 HydrophobicContact CE2-CE2 3.7Å; F182-Y239 AromaticContact CG-CE2 3.78Å; F182-Y239 HydrophobicContact CG-CE2 3.78Å; F182-Y239 HydrophobicContact CZ-CD2 4.45Å; F182-Y239 AromaticContact CZ-CE2 3.86Å; F182-Y239 HydrophobicContact CZ-CE2 3.86Å; F233-Y239 AromaticContact CE2-CD2 3.65Å; F233-Y239 HydrophobicContact CE2-CD2 3.65Å; F233-Y239 AromaticContact CE2-CE2 3.7Å; F233-Y239 HydrophobicContact CE2-CE2 3.7Å; F233-Y239 AromaticContact CZ-CD2 3.78Å; F233-Y239 HydrophobicContact CZ-CD2 3.78Å; F233-Y239 HydrophobicContact CZ-CE2 4.15Å; Y239-M253 HydrophobicContact CD1-CB 3.94Å; Y239-M253 HydrophobicContact CD1-CE 3.57Å; Y239-M253 HydrophobicContact CD1-CG 4.42Å; Y239-M253 HydrophobicContact CD2-CE 3.69Å; Y239-M253 HydrophobicContact CE1-CB 3.73Å; Y239-M253 HydrophobicContact CE1-CE 3.73Å; Y239-M253 HydrophobicContact CE1-CG 3.96Å; Y239-M253 HydrophobicContact CE2-CE 3.84Å; Y239-M253 HydrophobicContact CG-CE 3.55Å; Y239-G305 WeakPolarHBondContact O-CA 3.48Å
240S97.7Very high96.3Very high0 Ų028.1 Ų28.10%013%0.125CC..  trans-63.4137.7168.9166.30000111.7L242 F243 D252 R256 R300 D304S240-L242 VanDerWaalsContact C-N 3.31Å; S240-L242 PolarHBondContact OG-N 3.33Å; S240-L242 VanDerWaalsContact OG-N 3.16Å; S240-F243 VanDerWaalsContact CB-CD2 3.45Å; S240-F243 VanDerWaalsContact CB-CE2 3.43Å; S240-F243 WeakPolarHBondContact OG-CD2 3.38Å; S240-F243 VanDerWaalsContact OG-CE2 3.25Å; S240-F243 WeakPolarHBondContact OG-CE2 3.14Å; S240-D252 WeakPolarHBondContact CB-OD2 3.42Å; S240-R256 VanDerWaalsContact CA-NH2 3.27Å; S240-R256 VanDerWaalsContact CB-NH2 3.3Å; S240-R300 PolarHBondContact OG-NH1 2.95Å; S240-R300 VanDerWaalsContact OG-NH1 3.14Å; S240-D304 WeakPolarHBondContact CA-OD2 3.41Å; S240-D304 VanDerWaalsContact CB-OD2 3.27Å; S240-D304 WeakPolarHBondContact CB-OD2 3.41Å; S240-D304 PolarHBondContact OG-OD2 3.38Å
241N96.5Very high96.3Very high11 Ų1129.3 Ų29.36%0.05913%0.131CC..SBendtrans-87.1-3.6174.7-52.4-53.9000112.2N159 I162 N165 D304 G305 L309N159-N241 PolarHBondContact ND2-O 3.24Å; I162-N241 HydrophobicContact CD1-CB 4.16Å; I162-N241 HydrophobicContact CG1-CB 3.7Å; N165-N241 PolarHBondContact ND2-OD1 3.33Å; N165-N241 VanDerWaalsContact ND2-OD1 3.12Å; N241-D304 WeakPolarHBondContact CB-OD1 3.39Å; N241-D304 PolarHBondContact N-OD1 3.31Å; N241-D304 PolarHBondContact N-OD2 3.33Å; N241-D304 PolarHBondContact ND2-OD1 3.27Å; N241-G305 WeakPolarHBondContact ND2-CA 3.17Å; N241-G305 PolarHBondContact ND2-N 2.99Å; N241-G305 PolarHBondContact ND2-O 3.49Å; N241-L309 WeakPolarHBondContact OD1-CD1 3.41Å
242L93.7Very high96.4Very high7 Ų722 Ų224%0.03710%0.099CC..  trans-91.6-3.9-172.8-60.7-178.7000114.4E52 L56 S240 W244 I293 F370E52-L242 HydrophobicContact CG-CD2 4.24Å; L56-L242 HydrophobicContact CD1-CD1 4.34Å; S240-L242 VanDerWaalsContact C-N 3.31Å; S240-L242 PolarHBondContact OG-N 3.33Å; S240-L242 VanDerWaalsContact OG-N 3.16Å; L242-W244 PolarHBondContact O-N 3.26Å; L242-I293 HydrophobicContact CB-CD1 4.29Å; L242-I293 HydrophobicContact CB-CG2 4.09Å; L242-I293 HydrophobicContact CD1-CG2 4.42Å; L242-F370 WeakPolarHBondContact O-CZ 3.49Å
243F94Very high96.4Very high7 Ų721.4 Ų21.43%0.03110%0.095CC..  trans-90.799177.9-66-80.1000110.9S240 A248 E249 D252 R290 I293 L294S240-F243 VanDerWaalsContact CB-CD2 3.45Å; S240-F243 VanDerWaalsContact CB-CE2 3.43Å; S240-F243 WeakPolarHBondContact OG-CD2 3.38Å; S240-F243 VanDerWaalsContact OG-CE2 3.25Å; S240-F243 WeakPolarHBondContact OG-CE2 3.14Å; F243-A248 HydrophobicContact CD1-CB 4.03Å; F243-A248 HydrophobicContact CE1-CB 3.64Å; F243-A248 HydrophobicContact CZ-CB 4.35Å; F243-E249 HydrophobicContact CB-CB 3.95Å; F243-E249 HydrophobicContact CD2-CB 4.05Å; F243-E249 HydrophobicContact CG-CB 4.11Å; F243-D252 HydrophobicContact CD2-CB 4.41Å; F243-D252 HydrophobicContact CE2-CB 3.4Å; F243-D252 HydrophobicContact CZ-CB 3.73Å; F243-R290 HydrophobicContact CD1-CG 4.09Å; F243-R290 HydrophobicContact CE1-CG 3.94Å; F243-I293 HydrophobicContact CE1-CB 4.37Å; F243-I293 HydrophobicContact CE1-CG2 3.99Å; F243-I293 HydrophobicContact CE2-CG2 4.05Å; F243-I293 HydrophobicContact CZ-CB 4.39Å; F243-I293 HydrophobicContact CZ-CG2 3.63Å; F243-L294 HydrophobicContact CZ-CB 4.47Å
244W92.8Very high96.4Very high16 Ų1623 Ų236%0.06110%0.101CC..  trans-94.7134.6171.8-6487.5000110.3Q156 P157 N159 I162 L242 F285 V363 P366 F370Q156-W244 HydrophobicContact CB-CZ3 4.37Å; P157-W244 HydrophobicContact CB-CB 4.16Å; P157-W244 HydrophobicContact CB-CE3 4.24Å; N159-W244 HydrophobicContact CB-CD2 4.16Å; N159-W244 HydrophobicContact CB-CE3 3.8Å; N159-W244 HydrophobicContact CB-CH2 4.26Å; N159-W244 HydrophobicContact CB-CZ3 3.88Å; N159-W244 WeakPolarHBondContact ND2-CZ2 3.46Å; I162-W244 HydrophobicContact CD1-CZ2 4.36Å; L242-W244 PolarHBondContact O-N 3.26Å; W244-F285 HydrophobicContact CB-CD2 4.25Å; W244-F285 HydrophobicContact CB-CE2 4.38Å; W244-F285 WeakPolarHBondContact O-CD2 3.48Å; W244-F285 WeakPolarHBondContact O-CG 3.26Å; W244-V363 HydrophobicContact CH2-CG2 3.87Å; W244-V363 HydrophobicContact CZ3-CG2 3.78Å; W244-P366 HydrophobicContact CD2-CB 3.6Å; W244-P366 HydrophobicContact CE3-CB 3.68Å; W244-P366 HydrophobicContact CE3-CG 4.47Å; W244-P366 HydrophobicContact CG-CB 4.09Å; W244-P366 HydrophobicContact CH2-CB 4.26Å; W244-P366 HydrophobicContact CZ2-CB 4.2Å; W244-P366 HydrophobicContact CZ3-CB 4Å; W244-F370 HydrophobicContact CB-CD1 3.64Å; W244-F370 HydrophobicContact CB-CE1 3.9Å; W244-F370 HydrophobicContact CB-CG 4.23Å; W244-F370 AromaticContact CD1-CE1 3.93Å; W244-F370 AromaticContact CD1-CE2 3.89Å; W244-F370 AromaticContact CD1-CZ 3.83Å; W244-F370 HydrophobicContact CG-CD1 4.13Å; W244-F370 HydrophobicContact CG-CE1 4.31Å; W244-F370 HydrophobicContact CG-CG 4.32Å
245G92.7Very high96.4Very high8 Ų826.2 Ų26.28%0.08212%0.116CC..SBendtrans77.2-165.5-174.300000113.2F158F158-G245 WeakPolarHBondContact O-CA 3.07Å; F158-G245 PolarHBondContact O-N 3.3Å
246W89.4Confident96.4Very high163 Ų16319.9 Ų19.962%0.6179%0.092SC*.SBendtrans-81.1126.6-173.6-175.977.3000113.9L283 A284 R290W246-L283 PolarHBondContact N-O 3.04Å; W246-A284 HydrophobicContact CE3-CB 4.26Å; W246-R290 PolarHBondContact O-NH1 3.04Å
247G91.8Very high96.4Very high10 Ų1019.9 Ų19.910%0.1039%0.092CC..SBendtrans108.2158.3157.800000115.9E249 R290G247-E249 VanDerWaalsContact C-N 3.25Å; G247-E249 VanDerWaalsContact C-OE2 3.23Å; G247-E249 WeakPolarHBondContact CA-OE2 3.33Å; G247-E249 PolarHBondContact O-N 3.45Å; G247-R290 WeakPolarHBondContact O-CD 3.47Å
248A95.3Very high96.4Very high5 Ų522.9 Ų22.94%0.04111%0.106CC..SBendtrans69.7-2.7176.200000117.1F243 D250 D251 D252 R290 L294F243-A248 HydrophobicContact CD1-CB 4.03Å; F243-A248 HydrophobicContact CE1-CB 3.64Å; F243-A248 HydrophobicContact CZ-CB 4.35Å; A248-D250 PolarHBondContact O-N 2.87Å; A248-D251 WeakPolarHBondContact CA-OD2 3.42Å; A248-D251 HydrophobicContact CB-CB 4.47Å; A248-D251 PolarHBondContact O-N 3.33Å; A248-D252 WeakPolarHBondContact O-CB 3.42Å; A248-D252 PolarHBondContact O-N 2.94Å; A248-R290 VanDerWaalsContact CB-CD 3.48Å; A248-R290 HydrophobicContact CB-CG 3.48Å; A248-R290 VanDerWaalsContact CB-CG 3.48Å; A248-L294 HydrophobicContact CB-CD2 4.47Å
249E97.3Very high96.4Very high12 Ų1225.1 Ų25.16%0.05612%0.12CC..Hα-helixtrans-66.3-31.9172.480.1-71.1174.500112.2K160 M164 F243 G247 M253K160-E249 HydrophobicContact CD-CG 4.4Å; K160-E249 VanDerWaalsContact CD-OE1 3.31Å; K160-E249 WeakPolarHBondContact CD-OE1 3.49Å; K160-E249 IonicContact NZ-OE1 3.66Å; K160-E249 PolarHBondContact NZ-OE1 3.08Å; M164-E249 HydrophobicContact CE-CG 4.36Å; F243-E249 HydrophobicContact CB-CB 3.95Å; F243-E249 HydrophobicContact CD2-CB 4.05Å; F243-E249 HydrophobicContact CG-CB 4.11Å; G247-E249 VanDerWaalsContact C-N 3.25Å; G247-E249 VanDerWaalsContact C-OE2 3.23Å; G247-E249 WeakPolarHBondContact CA-OE2 3.33Å; G247-E249 PolarHBondContact O-N 3.45Å; E249-M253 PolarHBondContact O-N 3.3Å; E249-M253 VanDerWaalsContact O-N 3.16Å
250D98.1Very high96.3Very high19 Ų1925.3 Ų25.310%0.10212%0.122CC..Hα-helixtrans-79-38.1176.158.5-23.6000112.5L221 I222 G223 A248 D252 M253 Y254L221-D250 WeakPolarHBondContact CD1-OD2 3.37Å; I222-D250 HydrophobicContact CG1-CB 4.47Å; I222-D250 WeakPolarHBondContact CG1-O 3.07Å; G223-D250 WeakPolarHBondContact CA-OD2 3.34Å; G223-D250 PolarHBondContact N-OD2 2.91Å; A248-D250 PolarHBondContact O-N 2.87Å; D250-D252 VanDerWaalsContact C-N 3.33Å; D250-M253 WeakPolarHBondContact O-CB 3.12Å; D250-M253 PolarHBondContact O-N 3.04Å; D250-Y254 PolarHBondContact O-N 2.91Å
251D98.1Very high96.4Very high36 Ų3633.5 Ų33.519%0.19316%0.16CC..Hα-helixtrans-61.1-43.1170.8-61.3-47.1000110.8Y218 A248 M253 Y254 E255 L294Y218-D251 WeakPolarHBondContact CE2-OD1 2.81Å; Y218-D251 PolarHBondContact OH-OD1 2.95Å; A248-D251 WeakPolarHBondContact CA-OD2 3.42Å; A248-D251 HydrophobicContact CB-CB 4.47Å; A248-D251 PolarHBondContact O-N 3.33Å; D251-M253 PolarHBondContact O-N 2.97Å; D251-Y254 WeakPolarHBondContact O-CB 3.47Å; D251-Y254 PolarHBondContact O-N 3.06Å; D251-Y254 VanDerWaalsContact O-N 3.17Å; D251-E255 PolarHBondContact O-N 2.88Å; D251-L294 HydrophobicContact CB-CD1 4.02Å; D251-L294 HydrophobicContact CB-CD2 4.09Å
252D98.4Very high96.5Very high0 Ų033.7 Ų33.70%016%0.161CC..Hα-helixtrans-61.4-42.9173.9177.991.3000111.6S240 F243 A248 D250 Y254 E255 R256 L294 T297 R300S240-D252 WeakPolarHBondContact CB-OD2 3.42Å; F243-D252 HydrophobicContact CD2-CB 4.41Å; F243-D252 HydrophobicContact CE2-CB 3.4Å; F243-D252 HydrophobicContact CZ-CB 3.73Å; A248-D252 WeakPolarHBondContact O-CB 3.42Å; A248-D252 PolarHBondContact O-N 2.94Å; D250-D252 VanDerWaalsContact C-N 3.33Å; D252-Y254 VanDerWaalsContact C-N 3.3Å; D252-Y254 PolarHBondContact O-N 3.38Å; D252-E255 PolarHBondContact O-N 2.96Å; D252-R256 VanDerWaalsContact O-CG 3.25Å; D252-R256 WeakPolarHBondContact O-CG 3.01Å; D252-R256 PolarHBondContact O-N 3.16Å; D252-R256 IonicContact OD2-CZ 2.71Å; D252-R256 VanDerWaalsContact OD2-CZ 3.31Å; D252-R256 IonicContact OD2-NE 3.85Å; D252-R256 PolarHBondContact OD2-NE 2.68Å; D252-R256 IonicContact OD2-NH2 3.85Å; D252-R256 PolarHBondContact OD2-NH2 3.16Å; D252-R256 VanDerWaalsContact OD2-NH2 3.16Å; D252-L294 HydrophobicContact CB-CD1 3.94Å; D252-T297 WeakPolarHBondContact OD1-CB 3.5Å; D252-T297 WeakPolarHBondContact OD1-CG2 3.35Å; D252-T297 PolarHBondContact OD1-OG1 3.48Å; D252-R300 IonicContact OD1-CZ 2.91Å; D252-R300 IonicContact OD1-NH2 3.35Å; D252-R300 PolarHBondContact OD1-NH2 3.43Å
253M98.8Very high96.7Very high0 Ų036.2 Ų36.20%018%0.178CC..Hα-helixtrans-59.8-40173.8177.261.469.600111.9I222 L226 I228 F233 V236 G238 Y239 E249 D250 D251 R256 L257I222-M253 HydrophobicContact CD1-CB 4.01Å; I222-M253 HydrophobicContact CD1-CG 3.69Å; L226-M253 HydrophobicContact CD2-CG 4.03Å; I228-M253 HydrophobicContact CD1-SD 4.5Å; F233-M253 HydrophobicContact CD2-CE 4.04Å; F233-M253 HydrophobicContact CE2-CE 3.59Å; V236-M253 HydrophobicContact CG2-CE 4.34Å; V236-M253 HydrophobicContact CG2-SD 3.74Å; G238-M253 WeakPolarHBondContact O-CE 3.44Å; Y239-M253 HydrophobicContact CD1-CB 3.94Å; Y239-M253 HydrophobicContact CD1-CE 3.57Å; Y239-M253 HydrophobicContact CD1-CG 4.42Å; Y239-M253 HydrophobicContact CD2-CE 3.69Å; Y239-M253 HydrophobicContact CE1-CB 3.73Å; Y239-M253 HydrophobicContact CE1-CE 3.73Å; Y239-M253 HydrophobicContact CE1-CG 3.96Å; Y239-M253 HydrophobicContact CE2-CE 3.84Å; Y239-M253 HydrophobicContact CG-CE 3.55Å; E249-M253 PolarHBondContact O-N 3.3Å; E249-M253 VanDerWaalsContact O-N 3.16Å; D250-M253 WeakPolarHBondContact O-CB 3.12Å; D250-M253 PolarHBondContact O-N 3.04Å; D251-M253 PolarHBondContact O-N 2.97Å; M253-R256 PolarHBondContact O-N 3.4Å; M253-L257 HydrophobicContact CG-CD1 4.22Å; M253-L257 VanDerWaalsContact O-CG 3.31Å; M253-L257 WeakPolarHBondContact O-CG 3.46Å; M253-L257 PolarHBondContact O-N 2.57Å; M253-L257 HydrophobicContact SD-CD1 4.43Å; M253-L257 HydrophobicContact SD-CG 4.36Å
254Y98.7Very high96.9Very high35 Ų3537.1 Ų37.114%0.13718%0.184CC..Hα-helixtrans-62-48.6176.8-178.6-96000111.2E220 I222 D250 D251 D252 R256 L257 M258 V264E220-Y254 HydrophobicContact CB-CD1 3.67Å; E220-Y254 HydrophobicContact CB-CE1 3.6Å; E220-Y254 HydrophobicContact CB-CE2 4.49Å; E220-Y254 HydrophobicContact CB-CG 4.14Å; E220-Y254 HydrophobicContact CG-CD1 3.98Å; E220-Y254 HydrophobicContact CG-CE1 3.46Å; E220-Y254 VanDerWaalsContact CG-CE1 3.46Å; E220-Y254 WeakPolarHBondContact O-CB 3.33Å; E220-Y254 VanDerWaalsContact O-CD2 3.23Å; E220-Y254 WeakPolarHBondContact O-CD2 3.46Å; E220-Y254 VanDerWaalsContact O-CG 3.26Å; I222-Y254 HydrophobicContact CD1-CD2 4.42Å; I222-Y254 HydrophobicContact CG2-CD2 3.76Å; I222-Y254 HydrophobicContact CG2-CE2 4.48Å; D250-Y254 PolarHBondContact O-N 2.91Å; D251-Y254 WeakPolarHBondContact O-CB 3.47Å; D251-Y254 PolarHBondContact O-N 3.06Å; D251-Y254 VanDerWaalsContact O-N 3.17Å; D252-Y254 VanDerWaalsContact C-N 3.3Å; D252-Y254 PolarHBondContact O-N 3.38Å; Y254-R256 VanDerWaalsContact C-N 3.3Å; Y254-R256 PolarHBondContact O-N 3.1Å; Y254-L257 WeakPolarHBondContact O-CB 2.84Å; Y254-L257 PolarHBondContact O-N 2.9Å; Y254-L257 VanDerWaalsContact O-N 3.1Å; Y254-M258 HydrophobicContact CD1-CG 3.85Å; Y254-M258 HydrophobicContact CD2-CE 4.33Å; Y254-M258 HydrophobicContact CE1-CG 3.43Å; Y254-M258 VanDerWaalsContact CE1-CG 3.43Å; Y254-M258 HydrophobicContact CE1-SD 4.13Å; Y254-M258 HydrophobicContact CE2-CE 3.9Å; Y254-M258 HydrophobicContact CE2-CG 4.28Å; Y254-M258 HydrophobicContact CE2-SD 4.15Å; Y254-M258 HydrophobicContact CG-CG 4.44Å; Y254-M258 WeakPolarHBondContact O-CG 3.37Å; Y254-M258 PolarHBondContact O-N 3.43Å; Y254-V264 HydrophobicContact CD2-CG2 4.38Å; Y254-V264 HydrophobicContact CE2-CG2 4.43Å
255E98.4Very high97.1Very high77 Ų7739.5 Ų39.536%0.3620%0.197SC..Hα-helixtrans-58.3-41.3177-73.1-58138.100112D251 D252 L257 M258 V259 T297D251-E255 PolarHBondContact O-N 2.88Å; D252-E255 PolarHBondContact O-N 2.96Å; E255-L257 VanDerWaalsContact C-N 3.33Å; E255-L257 PolarHBondContact O-N 3.19Å; E255-M258 PolarHBondContact O-N 2.96Å; E255-V259 WeakPolarHBondContact O-CB 3.46Å; E255-V259 VanDerWaalsContact O-CG2 3.27Å; E255-V259 WeakPolarHBondContact O-CG2 3.34Å; E255-V259 PolarHBondContact O-N 3.17Å; E255-T297 HydrophobicContact CB-CG2 3.67Å
256R98.6Very high97.4Very high0 Ų042.6 Ų42.60%021%0.206CC..Hα-helixtrans-61.6-40.9175.6-66.1173-176.3-124.1-6.9112.6V236 N237 G238 S240 D252 M253 Y254 N260 T297 Y301 D304V236-R256 HydrophobicContact CB-CB 3.88Å; V236-R256 HydrophobicContact CG1-CB 4.19Å; V236-R256 WeakPolarHBondContact O-CD 3.49Å; V236-R256 PolarHBondContact O-NH1 2.71Å; N237-R256 PolarHBondContact O-NH1 3.22Å; G238-R256 WeakPolarHBondContact O-CD 3.23Å; G238-R256 PolarHBondContact O-NH1 3.24Å; S240-R256 VanDerWaalsContact CA-NH2 3.27Å; S240-R256 VanDerWaalsContact CB-NH2 3.3Å; D252-R256 VanDerWaalsContact O-CG 3.25Å; D252-R256 WeakPolarHBondContact O-CG 3.01Å; D252-R256 PolarHBondContact O-N 3.16Å; D252-R256 IonicContact OD2-CZ 2.71Å; D252-R256 VanDerWaalsContact OD2-CZ 3.31Å; D252-R256 IonicContact OD2-NE 3.85Å; D252-R256 PolarHBondContact OD2-NE 2.68Å; D252-R256 IonicContact OD2-NH2 3.85Å; D252-R256 PolarHBondContact OD2-NH2 3.16Å; D252-R256 VanDerWaalsContact OD2-NH2 3.16Å; M253-R256 PolarHBondContact O-N 3.4Å; Y254-R256 VanDerWaalsContact C-N 3.3Å; Y254-R256 PolarHBondContact O-N 3.1Å; R256-N260 WeakPolarHBondContact O-CB 3.01Å; R256-N260 PolarHBondContact O-N 3.35Å; R256-N260 PolarHBondContact O-ND2 3.39Å; R256-T297 HydrophobicContact CG-CG2 3.85Å; R256-Y301 HydrophobicContact CG-CD2 4.27Å; R256-Y301 HydrophobicContact CG-CG 4.03Å; R256-Y301 PolarHBondContact NH1-O 3.14Å; R256-D304 PolarHBondContact NH1-O 3.08Å; R256-D304 PolarHBondContact NH2-O 3.25Å; R256-D304 IonicContact NH2-OD2 3.31Å
257L98.7Very high97.7Very high0 Ų036.4 Ų36.40%019%0.187CC..Hα-helixtrans-64.9-44.7176.6-68.6166.4000110.8P202 I222 I228 V236 M253 Y254 E255 N260 E261 I262 V264P202-L257 HydrophobicContact CB-CD1 4.34Å; P202-L257 HydrophobicContact CG-CD1 4.28Å; P202-L257 HydrophobicContact CG-CD2 3.76Å; I222-L257 HydrophobicContact CD1-CD1 3.87Å; I228-L257 HydrophobicContact CD1-CD2 3.82Å; V236-L257 HydrophobicContact CG1-CD2 3.72Å; V236-L257 HydrophobicContact CG1-CG 4.27Å; M253-L257 HydrophobicContact CG-CD1 4.22Å; M253-L257 VanDerWaalsContact O-CG 3.31Å; M253-L257 WeakPolarHBondContact O-CG 3.46Å; M253-L257 PolarHBondContact O-N 2.57Å; M253-L257 HydrophobicContact SD-CD1 4.43Å; M253-L257 HydrophobicContact SD-CG 4.36Å; Y254-L257 WeakPolarHBondContact O-CB 2.84Å; Y254-L257 PolarHBondContact O-N 2.9Å; Y254-L257 VanDerWaalsContact O-N 3.1Å; E255-L257 VanDerWaalsContact C-N 3.33Å; E255-L257 PolarHBondContact O-N 3.19Å; L257-N260 CarbonylContact O-C 3.57Å; L257-N260 PolarHBondContact O-N 3.15Å; L257-E261 PolarHBondContact O-N 3.31Å; L257-E261 VanDerWaalsContact O-N 3.17Å; L257-I262 HydrophobicContact CB-CB 4.41Å; L257-I262 HydrophobicContact CD2-CB 4.02Å; L257-I262 HydrophobicContact CD2-CD1 4.14Å; L257-I262 HydrophobicContact CD2-CG2 3.87Å; L257-I262 PolarHBondContact O-N 3.17Å; L257-V264 HydrophobicContact CD1-CG2 3.84Å
258M98Very high97.9Very high65 Ų6539.9 Ų39.932%0.3220%0.203SC..Hα-helixtrans-65.5-43.5-180-65.6-52.199.600112.1Y254 E255 N260 E261 I262 V264Y254-M258 HydrophobicContact CD1-CG 3.85Å; Y254-M258 HydrophobicContact CD2-CE 4.33Å; Y254-M258 HydrophobicContact CE1-CG 3.43Å; Y254-M258 VanDerWaalsContact CE1-CG 3.43Å; Y254-M258 HydrophobicContact CE1-SD 4.13Å; Y254-M258 HydrophobicContact CE2-CE 3.9Å; Y254-M258 HydrophobicContact CE2-CG 4.28Å; Y254-M258 HydrophobicContact CE2-SD 4.15Å; Y254-M258 HydrophobicContact CG-CG 4.44Å; Y254-M258 WeakPolarHBondContact O-CG 3.37Å; Y254-M258 PolarHBondContact O-N 3.43Å; E255-M258 PolarHBondContact O-N 2.96Å; M258-N260 PolarHBondContact O-N 3.2Å; M258-E261 PolarHBondContact O-N 3.12Å; M258-I262 WeakPolarHBondContact CE-O 3.37Å; M258-V264 HydrophobicContact CE-CG2 4.04Å
259V97.9Very high98Very high47 Ų4742.6 Ų42.629%0.28522%0.22SC..Hα-helixtrans-62.7-27.2175.9170.10000112.1E255 E261 K298 Y301E255-V259 WeakPolarHBondContact O-CB 3.46Å; E255-V259 VanDerWaalsContact O-CG2 3.27Å; E255-V259 WeakPolarHBondContact O-CG2 3.34Å; E255-V259 PolarHBondContact O-N 3.17Å; V259-E261 VanDerWaalsContact C-N 3.35Å; V259-K298 HydrophobicContact CG1-CG 4.09Å; V259-K298 HydrophobicContact CG2-CB 3.91Å; V259-K298 HydrophobicContact CG2-CD 3.99Å; V259-K298 HydrophobicContact CG2-CG 3.66Å; V259-Y301 HydrophobicContact CG1-CE1 3.89Å
260N98.2Very high97.9Very high13 Ų1347.6 Ų47.67%0.0725%0.248CC..THydrogen-bonded Turntrans-91.15.6174.6-81.8-85.2000114R235 V236 R256 L257 M258 I262 Y301R235-N260 WeakPolarHBondContact CG-OD1 3.45Å; R235-N260 PolarHBondContact NE-OD1 3.41Å; R235-N260 PolarHBondContact NH2-O 3.25Å; R235-N260 VanDerWaalsContact NH2-O 3.12Å; V236-N260 HydrophobicContact CG1-CB 4.31Å; R256-N260 WeakPolarHBondContact O-CB 3.01Å; R256-N260 PolarHBondContact O-N 3.35Å; R256-N260 PolarHBondContact O-ND2 3.39Å; L257-N260 CarbonylContact O-C 3.57Å; L257-N260 PolarHBondContact O-N 3.15Å; M258-N260 PolarHBondContact O-N 3.2Å; N260-I262 HydrophobicContact CB-CD1 3.74Å; N260-I262 HydrophobicContact CB-CG1 3.96Å; N260-I262 PolarHBondContact O-N 2.92Å; N260-Y301 WeakPolarHBondContact ND2-CE2 3.39Å; N260-Y301 VanDerWaalsContact ND2-CZ 3.32Å; N260-Y301 PolarHBondContact ND2-OH 2.9Å; N260-Y301 VanDerWaalsContact ND2-OH 3.15Å
261E98.2Very high97.8Very high173 Ų17348.8 Ų48.881%0.80826%0.255SS*.THydrogen-bonded Turntrans57.734.8-178.5-53.8176.7163.200112.5L257 M258 V259L257-E261 PolarHBondContact O-N 3.31Å; L257-E261 VanDerWaalsContact O-N 3.17Å; M258-E261 PolarHBondContact O-N 3.12Å; V259-E261 VanDerWaalsContact C-N 3.35Å
262I98.5Very high97.8Very high15 Ų1547.1 Ų47.18%0.07725%0.246CC..  trans-99.8112.1179-59.8168.3000108.4P202 A232 R235 V236 L257 M258 N260P202-I262 VanDerWaalsContact CD-CG2 3.49Å; P202-I262 HydrophobicContact CG-CG2 3.57Å; A232-I262 HydrophobicContact CB-CD1 4.29Å; A232-I262 HydrophobicContact CB-CG2 4.5Å; R235-I262 HydrophobicContact CG-CD1 4.45Å; V236-I262 HydrophobicContact CG1-CD1 3.9Å; L257-I262 HydrophobicContact CB-CB 4.41Å; L257-I262 HydrophobicContact CD2-CB 4.02Å; L257-I262 HydrophobicContact CD2-CD1 4.14Å; L257-I262 HydrophobicContact CD2-CG2 3.87Å; L257-I262 PolarHBondContact O-N 3.17Å; M258-I262 WeakPolarHBondContact CE-O 3.37Å; N260-I262 HydrophobicContact CB-CD1 3.74Å; N260-I262 HydrophobicContact CB-CG1 3.96Å; N260-I262 PolarHBondContact O-N 2.92Å
263P97.9Very high97.7Very high60 Ų6050 Ų5039%0.3926%0.26SS..  trans-71.5150-18029.8-34.6000111.4Y201 P202Y201-P263 HydrophobicContact CD1-CG 3.62Å; Y201-P263 HydrophobicContact CD2-CG 4.31Å; Y201-P263 HydrophobicContact CE1-CG 3.72Å; Y201-P263 HydrophobicContact CE2-CG 4.39Å; Y201-P263 HydrophobicContact CG-CG 3.94Å; P202-P263 WeakPolarHBondContact CD-O 3.4Å
264V98.4Very high97.7Very high26 Ų2650 Ų5016%0.15826%0.26CS..  trans-104.9126171.1-178.20000108.8P202 H204 I222 Y254 L257 M258P202-V264 HydrophobicContact CB-CG2 4.41Å; P202-V264 WeakPolarHBondContact O-CA 3.25Å; H204-V264 HydrophobicContact CB-CG1 3.98Å; I222-V264 HydrophobicContact CG2-CG1 3.99Å; I222-V264 HydrophobicContact CG2-CG2 4.38Å; Y254-V264 HydrophobicContact CD2-CG2 4.38Å; Y254-V264 HydrophobicContact CE2-CG2 4.43Å; L257-V264 HydrophobicContact CD1-CG2 3.84Å; M258-V264 HydrophobicContact CE-CG2 4.04Å
265I97.8Very high97.7Very high65 Ų6550.4 Ų50.433%0.33327%0.266SS..BIsolated β-bridgetrans-97.2156.1174.763.5166.2000110.9Y201 P202 K203 H204Y201-I265 HydrophobicContact CD2-CG2 4.3Å; P202-I265 WeakPolarHBondContact O-CG1 3.2Å; P202-I265 PolarHBondContact O-N 3.3Å; K203-I265 VanDerWaalsContact CA-O 3.29Å; K203-I265 WeakPolarHBondContact CA-O 3.36Å; K203-I265 HydrophobicContact CB-CD1 4.24Å; K203-I265 HydrophobicContact CB-CG1 3.83Å; K203-I265 HydrophobicContact CG-CD1 4.35Å; K203-I265 HydrophobicContact CG-CG1 4.06Å; H204-I265 PolarHBondContact N-O 3.26Å
266R97.8Very high97.7Very high73 Ų7348.1 Ų48.128%0.27526%0.256SS..  trans-132.7135.4-179.6-77.5-175.5179.1104.9-1.3110.1H204 V207 I219 L221H204-R266 HydrophobicContact CB-CG 4.1Å; H204-R266 PolarHBondContact ND1-NE 3.49Å; V207-R266 HydrophobicContact CG1-CB 3.82Å; V207-R266 HydrophobicContact CG1-CG 3.58Å; I219-R266 VanDerWaalsContact O-CZ 3.25Å; I219-R266 PolarHBondContact O-NH1 3.35Å; I219-R266 PolarHBondContact O-NH2 2.89Å; L221-R266 PolarHBondContact O-NH2 3.43Å
267P96.5Very high97.6Very high34 Ų3449.6 Ų49.622%0.22126%0.263CS..  trans-73.5172.6175.632.8-36.1000111.7H204 V207 P269 A272H204-P267 WeakPolarHBondContact O-CD 3.27Å; V207-P267 HydrophobicContact CG2-CG 4.23Å; P267-P269 WeakPolarHBondContact O-CD 3.25Å; P267-A272 HydrophobicContact CB-CB 4Å; P267-A272 HydrophobicContact CG-CB 3.38Å
268D96.5Very high97.4Very high82 Ų8259.1 Ų59.144%0.43931%0.305SS..  trans-59.3121.7171.7-175.2-20.1000110N270 V271 A272D268-N270 PolarHBondContact O-N 2.95Å; D268-N270 VanDerWaalsContact OD1-CB 3.31Å; D268-N270 WeakPolarHBondContact OD1-CB 3.31Å; D268-N270 PolarHBondContact OD1-N 2.92Å; D268-N270 PolarHBondContact OD1-ND2 3.2Å; D268-V271 HydrophobicContact CB-CB 4.39Å; D268-V271 HydrophobicContact CB-CG2 4.12Å; D268-V271 PolarHBondContact O-N 3.47Å; D268-A272 PolarHBondContact O-N 2.9Å
269P96.2Very high97.1Very high62 Ų6258.5 Ų58.540%0.40330%0.301SS..THydrogen-bonded Turntrans-65.1-17.2179.927.7-36.5000114.3V207 S208 P267 V271 Q273V207-P269 HydrophobicContact CG2-CB 4.05Å; S208-P269 VanDerWaalsContact CB-O 3.29Å; S208-P269 WeakPolarHBondContact CB-O 3.12Å; S208-P269 PolarHBondContact OG-O 3.2Å; P267-P269 WeakPolarHBondContact O-CD 3.25Å; P269-V271 VanDerWaalsContact C-N 3.34Å; P269-Q273 WeakPolarHBondContact O-CG 3.12Å
270N96Very high96.7Very high118 Ų11864.7 Ų64.763%0.63132%0.324SS*.THydrogen-bonded Turntrans-74.9-27.5172.9-59.4-57.4000112D268D268-N270 PolarHBondContact O-N 2.95Å; D268-N270 VanDerWaalsContact OD1-CB 3.31Å; D268-N270 WeakPolarHBondContact OD1-CB 3.31Å; D268-N270 PolarHBondContact OD1-N 2.92Å; D268-N270 PolarHBondContact OD1-ND2 3.2Å
271V96.4Very high96.2Very high43 Ų4369.7 Ų69.726%0.26136%0.358SS..THydrogen-bonded Turntrans-89.3-48.2175.9-179.60000110N191 E193 I194 D268 P269 Q273N191-V271 PolarHBondContact ND2-O 2.75Å; E193-V271 HydrophobicContact CB-CG1 3.71Å; I194-V271 WeakPolarHBondContact CG1-O 3.22Å; D268-V271 HydrophobicContact CB-CB 4.39Å; D268-V271 HydrophobicContact CB-CG2 4.12Å; D268-V271 PolarHBondContact O-N 3.47Å; P269-V271 VanDerWaalsContact C-N 3.34Å; V271-Q273 VanDerWaalsContact C-N 3.26Å; V271-Q273 PolarHBondContact O-N 3.2Å
272A96.7Very high95.6Very high1 Ų164.4 Ų64.41%0.00834%0.34CS..SBendtrans-84.357-171.700000113.8I205 V207 S208 P267 D268 F274I205-A272 WeakPolarHBondContact O-CB 3.17Å; V207-A272 HydrophobicContact CG2-CB 3.98Å; S208-A272 WeakPolarHBondContact CB-O 3.44Å; P267-A272 HydrophobicContact CB-CB 4Å; P267-A272 HydrophobicContact CG-CB 3.38Å; D268-A272 PolarHBondContact O-N 2.9Å; A272-F274 WeakPolarHBondContact O-CD2 3.44Å
273Q98Very high95Very high60 Ų6071.2 Ų71.228%0.2838%0.375SS..EExtended strand (participates in β ladder)trans-91.3133.8-178.8-64.3-177.7-25.400112.4M190 I194 S208 P269 V271M190-Q273 HydrophobicContact CB-CB 4.21Å; M190-Q273 WeakPolarHBondContact CB-O 3.32Å; M190-Q273 HydrophobicContact CG-CB 4.33Å; M190-Q273 WeakPolarHBondContact CG-O 3.49Å; M190-Q273 PolarHBondContact N-O 2.88Å; M190-Q273 HydrophobicContact SD-CB 3.83Å; I194-Q273 WeakPolarHBondContact CD1-O 3.42Å; S208-Q273 CarbonylContact O-C 3.49Å; S208-Q273 WeakPolarHBondContact O-CA 3.02Å; P269-Q273 WeakPolarHBondContact O-CG 3.12Å; V271-Q273 VanDerWaalsContact C-N 3.26Å; V271-Q273 PolarHBondContact O-N 3.2Å
274F98.6Very high94.2Very high0 Ų070.8 Ų70.80%038%0.377CS..EExtended strand (participates in β ladder)trans-128.7143.3179.8-70.2-101.9000111.4L187 M188 P189 I194 I205 S208 V209 D210 V225 A272L187-F274 HydrophobicContact CB-CD1 4.05Å; M188-F274 VanDerWaalsContact O-CA 3.27Å; M188-F274 WeakPolarHBondContact O-CA 3.15Å; P189-F274 HydrophobicContact CB-CD1 4.22Å; P189-F274 HydrophobicContact CB-CE1 3.81Å; P189-F274 HydrophobicContact CB-CZ 4.33Å; P189-F274 HydrophobicContact CG-CE1 4.5Å; I194-F274 HydrophobicContact CD1-CD2 4.43Å; I194-F274 HydrophobicContact CD1-CE2 4.02Å; I194-F274 HydrophobicContact CD1-CZ 4.2Å; I194-F274 HydrophobicContact CG2-CE2 4.06Å; I194-F274 HydrophobicContact CG2-CZ 3.88Å; I205-F274 HydrophobicContact CG2-CE2 3.96Å; I205-F274 HydrophobicContact CG2-CZ 3.74Å; S208-F274 PolarHBondContact O-N 3Å; V209-F274 WeakPolarHBondContact CA-O 3.37Å; V209-F274 HydrophobicContact CG2-CB 4.25Å; D210-F274 PolarHBondContact N-O 2.9Å; D210-F274 VanDerWaalsContact N-O 3.1Å; V225-F274 HydrophobicContact CB-CZ 4.5Å; V225-F274 HydrophobicContact CG2-CD1 4.45Å; V225-F274 HydrophobicContact CG2-CE1 3.83Å; V225-F274 HydrophobicContact CG2-CZ 4.19Å; A272-F274 WeakPolarHBondContact O-CD2 3.44Å
275T98.2Very high93.3Very high44 Ų4471.3 Ų71.327%0.2738%0.377SS..EExtended strand (participates in β ladder)trans-101.6123.2169.1-59.80000108.9M188 M190 D210 L277M188-T275 WeakPolarHBondContact CB-O 3.49Å; M188-T275 PolarHBondContact N-O 2.7Å; M188-T275 PolarHBondContact O-N 3.38Å; M190-T275 WeakPolarHBondContact CG-OG1 3.5Å; M190-T275 PolarHBondContact SD-OG1 2.93Å; D210-T275 WeakPolarHBondContact OD2-CG2 3.42Å; T275-L277 PolarHBondContact O-N 2.98Å
276M98Very high92.4Very high30 Ų3073.6 Ų73.615%0.14839%0.386CS..EExtended strand (participates in β ladder)trans-78.9113.4169.3-171.4176.3-67.700109.7D186 L187 V209 D210 K211 F212 K278D186-M276 CarbonylContact O-C 3.58Å; D186-M276 WeakPolarHBondContact O-CA 3.47Å; L187-M276 HydrophobicContact CD2-CB 3.99Å; L187-M276 HydrophobicContact CD2-CE 3.83Å; L187-M276 HydrophobicContact CD2-CG 4.18Å; V209-M276 HydrophobicContact CG1-CB 4.04Å; V209-M276 HydrophobicContact CG1-CE 4.36Å; D210-M276 PolarHBondContact OD1-N 2.83Å; K211-M276 HydrophobicContact CB-CB 4.14Å; K211-M276 HydrophobicContact CB-SD 4.4Å; K211-M276 HydrophobicContact CD-CE 3.77Å; K211-M276 HydrophobicContact CD-CG 4.38Å; K211-M276 HydrophobicContact CD-SD 3.14Å; K211-M276 WeakPolarHBondContact CD-SD 3.47Å; K211-M276 HydrophobicContact CG-SD 4.4Å; K211-M276 PolarHBondContact NZ-SD 3.12Å; F212-M276 HydrophobicContact CE2-CE 4.29Å; F212-M276 HydrophobicContact CZ-CE 4.41Å; M276-K278 PolarHBondContact O-N 3Å
277L96.9Very high91.7Very high30 Ų3073.6 Ų73.616%0.15740%0.397CS..  trans-62.6130.6175.3-64.6-178.2000110.3H126 K129 D186 M188 T275 H279H126-L277 HydrophobicContact CB-CD1 4.2Å; H126-L277 VanDerWaalsContact CD2-CB 3.43Å; H126-L277 WeakPolarHBondContact CD2-CB 3.21Å; K129-L277 HydrophobicContact CB-CD1 4.28Å; K129-L277 HydrophobicContact CD-CD1 4.33Å; D186-L277 WeakPolarHBondContact O-CB 3.29Å; D186-L277 PolarHBondContact O-N 3.34Å; M188-L277 HydrophobicContact CB-CD2 4.35Å; M188-L277 HydrophobicContact CB-CG 4.43Å; M188-L277 HydrophobicContact CE-CD1 3.95Å; M188-L277 HydrophobicContact CE-CD2 4.39Å; T275-L277 PolarHBondContact O-N 2.98Å; L277-H279 PolarHBondContact O-CD2 2.66Å; L277-H279 PolarHBondContact O-N 3.34Å
278K94.8Very high91.1Very high200 Ų20074 Ų7487%0.8740%0.403SS*.  trans-55.3135.6-177.4-64.8-177.7-179.21790111.9H126 M276H126-K278 PolarHBondContact CE1-O 3.28Å; H126-K278 PolarHBondContact NE2-O 3.02Å; M276-K278 PolarHBondContact O-N 3Å
279H91.3Very high90.5Very high52 Ų5270.6 Ų70.624%0.24139%0.385CS..  trans-156158.6179.37188.7000111.4R123 D186 L277R123-H279 PolarHBondContact NH2-ND1 3.22Å; R123-H279 VanDerWaalsContact NH2-ND1 3.18Å; D186-H279 IonicContact OD2-CD2 2.76Å; D186-H279 PolarHBondContact OD2-CD2 2.83Å; D186-H279 IonicContact OD2-CE1 2.64Å; D186-H279 IonicContact OD2-NE2 3.76Å; D186-H279 PolarHBondContact OD2-NE2 2.79Å; L277-H279 PolarHBondContact O-CD2 2.66Å; L277-H279 PolarHBondContact O-N 3.34Å
280K90.7Very high90.1Very high178 Ų17870.5 Ų70.577%0.77438%0.377SS*.PPolyproline II helixtrans-69134.6167.3-68-176.9-178.5178.80109.4R123 S282R123-K280 PolarHBondContact NH2-O 2.8Å; K280-S282 PolarHBondContact O-N 3.22Å
281P86.5Confident89.8Confident118 Ų11869.2 Ų69.277%0.76637%0.373SS*.PPolyproline II helixtrans-54136.7174.7-26.134.7000111.5
282S86.1Confident89.4Confident62 Ų6269.8 Ų69.843%0.43437%0.373SS..PPolyproline II helixtrans-74.5147.2173-62.40000109.8R123 K280 A284R123-S282 PolarHBondContact NH2-OG 3.21Å; K280-S282 PolarHBondContact O-N 3.22Å; S282-A284 PolarHBondContact O-N 2.7Å
283L85.3Confident89.1Confident157 Ų15770 Ų7082%0.82237%0.374SS*.PPolyproline II helixtrans-64.5131.2176.1-67.2173000110.2W246W246-L283 PolarHBondContact N-O 3.04Å
284A82.2Confident88.9Confident52 Ų5269.3 Ų69.343%0.4337%0.372SS..PPolyproline II helixtrans-93.3148.7169.900000110W246 S282W246-A284 HydrophobicContact CE3-CB 4.26Å; S282-A284 PolarHBondContact O-N 2.7Å
285F77.7Confident88.6Confident37 Ų3773.1 Ų73.116%0.16240%0.399CS..PPolyproline II helixtrans-76.5172.5169-99.6-86.8000112.9P157 W244 S287 F370P157-F285 HydrophobicContact CB-CD2 4.37Å; P157-F285 HydrophobicContact CB-CE2 3.49Å; P157-F285 VanDerWaalsContact CB-CE2 3.49Å; P157-F285 HydrophobicContact CB-CZ 4.24Å; P157-F285 HydrophobicContact CG-CE2 3.4Å; P157-F285 VanDerWaalsContact CG-CE2 3.4Å; P157-F285 HydrophobicContact CG-CZ 3.64Å; W244-F285 HydrophobicContact CB-CD2 4.25Å; W244-F285 HydrophobicContact CB-CE2 4.38Å; W244-F285 WeakPolarHBondContact O-CD2 3.48Å; W244-F285 WeakPolarHBondContact O-CG 3.26Å; F285-S287 PolarHBondContact O-N 3.36Å; F285-S287 VanDerWaalsContact O-N 3.14Å; F285-F370 HydrophobicContact CB-CD1 4.29Å; F285-F370 HydrophobicContact CB-CE1 4.47Å; F285-F370 HydrophobicContact CD1-CB 4.09Å; F285-F370 AromaticContact CD1-CD1 3.4Å; F285-F370 HydrophobicContact CD1-CD1 3.4Å; F285-F370 HydrophobicContact CD1-CE1 4.3Å; F285-F370 HydrophobicContact CD1-CG 4.14Å; F285-F370 HydrophobicContact CD2-CD1 4.22Å; F285-F370 VanDerWaalsContact CE1-C 3.42Å; F285-F370 HydrophobicContact CE1-CB 3.62Å; F285-F370 AromaticContact CE1-CD1 3.83Å; F285-F370 HydrophobicContact CE1-CD1 3.83Å; F285-F370 HydrophobicContact CE1-CG 4.17Å; F285-F370 WeakPolarHBondContact CE1-O 3.39Å; F285-F370 AromaticContact CG-CD1 3.62Å; F285-F370 HydrophobicContact CG-CD1 3.62Å; F285-F370 HydrophobicContact CG-CE1 4.25Å; F285-F370 HydrophobicContact CZ-CB 3.99Å; F285-F370 HydrophobicContact CZ-CD1 4.38Å; F285-F370 WeakPolarHBondContact CZ-O 3.3Å
286H80.1Confident88.3Confident112 Ų11275.5 Ų75.552%0.51941%0.405SS..PPolyproline II helixtrans-49.5121.7176.3-81.1-83.3000110.5A288 L289 R290H286-A288 PolarHBondContact O-N 3.14Å; H286-L289 HydrophobicContact CB-CB 4.32Å; H286-L289 PolarHBondContact O-N 3.48Å; H286-R290 PolarHBondContact O-N 3.06Å; H286-R290 VanDerWaalsContact O-N 3.13Å
287S82.7Confident88.2Confident73 Ų7374.1 Ų74.151%0.5140%0.399SS..Hα-helixtrans-58.2-38-17851.60000111.9F285 R290 T291F285-S287 PolarHBondContact O-N 3.36Å; F285-S287 VanDerWaalsContact O-N 3.14Å; S287-R290 PolarHBondContact O-N 3.24Å; S287-T291 VanDerWaalsContact O-CB 3.31Å; S287-T291 WeakPolarHBondContact O-CB 3.31Å; S287-T291 PolarHBondContact O-N 3.35Å; S287-T291 PolarHBondContact O-OG1 3.34Å
288A83.6Confident88.1Confident42 Ų4279.8 Ų79.835%0.34742%0.422SS..Hα-helixtrans-58.7-49.9177.800000112.4L45 H286 R290 T291 Q292L45-A288 HydrophobicContact CD2-CB 4.42Å; H286-A288 PolarHBondContact O-N 3.14Å; A288-R290 PolarHBondContact O-N 3.27Å; A288-T291 PolarHBondContact O-N 3.49Å; A288-Q292 WeakPolarHBondContact O-CB 3.44Å; A288-Q292 WeakPolarHBondContact O-CG 3.48Å; A288-Q292 PolarHBondContact O-N 2.94Å
289L83.9Confident88Confident11 Ų1175.4 Ų75.46%0.05841%0.412CS..Hα-helixtrans-60.3-47177.3172.959.4000111.2L45 F48 H286 T291 Q292 I293 F370L45-L289 HydrophobicContact CD1-CB 4.01Å; L45-L289 HydrophobicContact CD1-CD1 3.2Å; L45-L289 HydrophobicContact CD1-CG 4.16Å; F48-L289 HydrophobicContact CD1-CD1 3.37Å; F48-L289 HydrophobicContact CE1-CD1 3.39Å; F48-L289 HydrophobicContact CG-CD1 4.26Å; F48-L289 HydrophobicContact CZ-CD1 4.28Å; H286-L289 HydrophobicContact CB-CB 4.32Å; H286-L289 PolarHBondContact O-N 3.48Å; L289-T291 PolarHBondContact O-N 3.03Å; L289-Q292 PolarHBondContact O-N 2.76Å; L289-I293 HydrophobicContact CD1-CD1 3.76Å; L289-I293 HydrophobicContact CD1-CG1 4.17Å; L289-I293 HydrophobicContact CG-CD1 4.02Å; L289-I293 WeakPolarHBondContact O-CG1 3.29Å; L289-I293 PolarHBondContact O-N 3.09Å; L289-F370 HydrophobicContact CD1-CZ 4.22Å; L289-F370 HydrophobicContact CD2-CD1 3.68Å; L289-F370 HydrophobicContact CD2-CD2 4.08Å; L289-F370 HydrophobicContact CD2-CE1 3.37Å; L289-F370 HydrophobicContact CD2-CE2 3.83Å; L289-F370 HydrophobicContact CD2-CG 4.03Å; L289-F370 HydrophobicContact CD2-CZ 3.46Å; L289-F370 VanDerWaalsContact CD2-CZ 3.46Å; L289-F370 HydrophobicContact CG-CE1 4.02Å; L289-F370 HydrophobicContact CG-CZ 3.91Å
290R87.8Confident88.1Confident60 Ų6073.4 Ų73.423%0.22640%0.402CS..Hα-helixtrans-60.3-47.1177.2-174.4176.664.8-154.9-3.3112.4F243 W246 G247 A248 H286 S287 A288 Q292 I293 L294F243-R290 HydrophobicContact CD1-CG 4.09Å; F243-R290 HydrophobicContact CE1-CG 3.94Å; W246-R290 PolarHBondContact O-NH1 3.04Å; G247-R290 WeakPolarHBondContact O-CD 3.47Å; A248-R290 VanDerWaalsContact CB-CD 3.48Å; A248-R290 HydrophobicContact CB-CG 3.48Å; A248-R290 VanDerWaalsContact CB-CG 3.48Å; H286-R290 PolarHBondContact O-N 3.06Å; H286-R290 VanDerWaalsContact O-N 3.13Å; S287-R290 PolarHBondContact O-N 3.24Å; A288-R290 PolarHBondContact O-N 3.27Å; R290-Q292 VanDerWaalsContact C-N 3.32Å; R290-Q292 PolarHBondContact O-N 3.13Å; R290-I293 PolarHBondContact O-N 3.47Å; R290-L294 WeakPolarHBondContact O-CB 3.47Å; R290-L294 PolarHBondContact O-N 3.43Å
291T90Very high88.4Confident91 Ų9165.6 Ų65.656%0.55837%0.368SS*.Hα-helixtrans-62.5-39.9177.9-660000111.3S287 A288 L289 S295S287-T291 VanDerWaalsContact O-CB 3.31Å; S287-T291 WeakPolarHBondContact O-CB 3.31Å; S287-T291 PolarHBondContact O-N 3.35Å; S287-T291 PolarHBondContact O-OG1 3.34Å; A288-T291 PolarHBondContact O-N 3.49Å; L289-T291 PolarHBondContact O-N 3.03Å; T291-S295 WeakPolarHBondContact O-CB 3.38Å; T291-S295 PolarHBondContact O-N 3.29Å
292Q88.5Confident88.9Confident55 Ų5564.7 Ų64.726%0.25735%0.35SS..Hα-helixtrans-68.1-46.2177.3-73.1-166.417.400112.2L45 I49 A288 L289 R290 L294 S295 F296L45-Q292 HydrophobicContact CD2-CB 4.45Å; L45-Q292 HydrophobicContact CD2-CG 4.01Å; I49-Q292 HydrophobicContact CD1-CB 4.2Å; I49-Q292 VanDerWaalsContact CD1-OE1 3.23Å; A288-Q292 WeakPolarHBondContact O-CB 3.44Å; A288-Q292 WeakPolarHBondContact O-CG 3.48Å; A288-Q292 PolarHBondContact O-N 2.94Å; L289-Q292 PolarHBondContact O-N 2.76Å; R290-Q292 VanDerWaalsContact C-N 3.32Å; R290-Q292 PolarHBondContact O-N 3.13Å; Q292-L294 VanDerWaalsContact C-N 3.26Å; Q292-L294 PolarHBondContact O-N 2.94Å; Q292-S295 PolarHBondContact O-N 3.47Å; Q292-S295 PolarHBondContact O-OG 3.29Å; Q292-F296 WeakPolarHBondContact O-CD2 3.29Å; Q292-F296 PolarHBondContact O-N 3.42Å
293I90.3Very high89.3Confident6 Ų664.1 Ų64.13%0.03134%0.341CS..Hα-helixtrans-56.4-42.9175.9-68.6166.6000111.3F48 L242 F243 L289 R290 F296 R300 F370F48-I293 HydrophobicContact CE1-CD1 3.96Å; F48-I293 HydrophobicContact CE1-CG1 4.15Å; F48-I293 HydrophobicContact CZ-CD1 4.33Å; L242-I293 HydrophobicContact CB-CD1 4.29Å; L242-I293 HydrophobicContact CB-CG2 4.09Å; L242-I293 HydrophobicContact CD1-CG2 4.42Å; F243-I293 HydrophobicContact CE1-CB 4.37Å; F243-I293 HydrophobicContact CE1-CG2 3.99Å; F243-I293 HydrophobicContact CE2-CG2 4.05Å; F243-I293 HydrophobicContact CZ-CB 4.39Å; F243-I293 HydrophobicContact CZ-CG2 3.63Å; L289-I293 HydrophobicContact CD1-CD1 3.76Å; L289-I293 HydrophobicContact CD1-CG1 4.17Å; L289-I293 HydrophobicContact CG-CD1 4.02Å; L289-I293 WeakPolarHBondContact O-CG1 3.29Å; L289-I293 PolarHBondContact O-N 3.09Å; R290-I293 PolarHBondContact O-N 3.47Å; I293-F296 PolarHBondContact O-N 3.18Å; I293-R300 PolarHBondContact O-NH2 3.02Å; I293-F370 HydrophobicContact CD1-CZ 3.79Å
294L93.8Very high89.8Confident46 Ų4656.6 Ų56.624%0.24130%0.302CS..Hα-helixtrans-65.7-38177.2-175.363.6000112F243 A248 D251 D252 R290 Q292 F296 T297F243-L294 HydrophobicContact CZ-CB 4.47Å; A248-L294 HydrophobicContact CB-CD2 4.47Å; D251-L294 HydrophobicContact CB-CD1 4.02Å; D251-L294 HydrophobicContact CB-CD2 4.09Å; D252-L294 HydrophobicContact CB-CD1 3.94Å; R290-L294 WeakPolarHBondContact O-CB 3.47Å; R290-L294 PolarHBondContact O-N 3.43Å; Q292-L294 VanDerWaalsContact C-N 3.26Å; Q292-L294 PolarHBondContact O-N 2.94Å; L294-F296 PolarHBondContact O-N 3.07Å; L294-T297 WeakPolarHBondContact O-CB 3.41Å; L294-T297 PolarHBondContact O-N 2.95Å; L294-T297 VanDerWaalsContact O-N 3.13Å; L294-T297 PolarHBondContact O-OG1 2.68Å
295S93Very high90.6Very high79 Ų7954.1 Ų54.155%0.55228%0.282SS*.Hα-helixtrans-62.7-25.1-179.775.50000114T291 Q292T291-S295 WeakPolarHBondContact O-CB 3.38Å; T291-S295 PolarHBondContact O-N 3.29Å; Q292-S295 PolarHBondContact O-N 3.47Å; Q292-S295 PolarHBondContact O-OG 3.29Å
296F91.4Very high91.6Very high94 Ų9453.1 Ų53.141%0.41228%0.278SS..THydrogen-bonded Turntrans-97.95.4178.1-63.3-72.4000113.9I49 Q292 I293 L294 K298 V299 R300I49-F296 HydrophobicContact CD1-CE2 4.21Å; Q292-F296 WeakPolarHBondContact O-CD2 3.29Å; Q292-F296 PolarHBondContact O-N 3.42Å; I293-F296 PolarHBondContact O-N 3.18Å; L294-F296 PolarHBondContact O-N 3.07Å; F296-K298 VanDerWaalsContact C-N 3.28Å; F296-K298 PolarHBondContact O-N 2.92Å; F296-K298 VanDerWaalsContact O-N 3.16Å; F296-V299 HydrophobicContact CB-CG2 4.03Å; F296-V299 HydrophobicContact CD1-CG2 4.19Å; F296-V299 WeakPolarHBondContact O-CG2 3.27Å; F296-V299 PolarHBondContact O-N 3.13Å; F296-R300 VanDerWaalsContact O-CB 3.26Å; F296-R300 WeakPolarHBondContact O-CB 3.45Å; F296-R300 PolarHBondContact O-N 2.9Å
297T95.6Very high92.4Very high1 Ų148.5 Ų48.51%0.00626%0.257CS..Hα-helixtrans-50.2-46.1-175.6-65.20000112.9D252 E255 R256 L294 V299 R300 Y301D252-T297 WeakPolarHBondContact OD1-CB 3.5Å; D252-T297 WeakPolarHBondContact OD1-CG2 3.35Å; D252-T297 PolarHBondContact OD1-OG1 3.48Å; E255-T297 HydrophobicContact CB-CG2 3.67Å; R256-T297 HydrophobicContact CG-CG2 3.85Å; L294-T297 WeakPolarHBondContact O-CB 3.41Å; L294-T297 PolarHBondContact O-N 2.95Å; L294-T297 VanDerWaalsContact O-N 3.13Å; L294-T297 PolarHBondContact O-OG1 2.68Å; T297-V299 VanDerWaalsContact C-N 3.27Å; T297-V299 PolarHBondContact O-N 3.3Å; T297-R300 PolarHBondContact O-N 3.47Å; T297-Y301 WeakPolarHBondContact O-CB 3.34Å; T297-Y301 PolarHBondContact O-N 3.44Å
298K95.2Very high93.1Very high149 Ų14945.7 Ų45.765%0.64824%0.237SC*.Hα-helixtrans-56.4-36.7-179.1-179.6169.4-176.3177.10113.9V259 F296V259-K298 HydrophobicContact CG1-CG 4.09Å; V259-K298 HydrophobicContact CG2-CB 3.91Å; V259-K298 HydrophobicContact CG2-CD 3.99Å; V259-K298 HydrophobicContact CG2-CG 3.66Å; F296-K298 VanDerWaalsContact C-N 3.28Å; F296-K298 PolarHBondContact O-N 2.92Å; F296-K298 VanDerWaalsContact O-N 3.16Å
299V91.5Very high93.7Very high109 Ų10945 Ų4566%0.66123%0.228SC*.Hα-helixtrans-93.8-24-179.4-620000112.7F296 T297F296-V299 HydrophobicContact CB-CG2 4.03Å; F296-V299 HydrophobicContact CD1-CG2 4.19Å; F296-V299 WeakPolarHBondContact O-CG2 3.27Å; F296-V299 PolarHBondContact O-N 3.13Å; T297-V299 VanDerWaalsContact C-N 3.27Å; T297-V299 PolarHBondContact O-N 3.3Å
300R93.9Very high94.3Very high9 Ų950.6 Ų50.63%0.03426%0.257CS..Hα-helixtrans-91.3-32.6-173.6-179.9179.558.377.83.1114.2S240 D252 I293 F296 T297 R302 L303 D304S240-R300 PolarHBondContact OG-NH1 2.95Å; S240-R300 VanDerWaalsContact OG-NH1 3.14Å; D252-R300 IonicContact OD1-CZ 2.91Å; D252-R300 IonicContact OD1-NH2 3.35Å; D252-R300 PolarHBondContact OD1-NH2 3.43Å; I293-R300 PolarHBondContact O-NH2 3.02Å; F296-R300 VanDerWaalsContact O-CB 3.26Å; F296-R300 WeakPolarHBondContact O-CB 3.45Å; F296-R300 PolarHBondContact O-N 2.9Å; T297-R300 PolarHBondContact O-N 3.47Å; R300-R302 PolarHBondContact O-N 3.44Å; R300-L303 WeakPolarHBondContact O-CB 3.49Å; R300-L303 PolarHBondContact O-N 2.92Å; R300-D304 HydrophobicContact CG-CB 4.17Å; R300-D304 IonicContact CZ-OD2 3.93Å; R300-D304 IonicContact NH1-OD2 2.68Å; R300-D304 PolarHBondContact NH1-OD2 3Å; R300-D304 PolarHBondContact O-N 3.16Å
301Y97Very high94.7Very high15 Ų1550.3 Ų50.36%0.05926%0.257CS..THydrogen-bonded Turntrans-58.1-25.6-162.584.6-85.6000114.9N237 R256 V259 N260 T297 L303N237-Y301 HydrophobicContact CB-CD2 4.48Å; N237-Y301 WeakPolarHBondContact CB-O 3.31Å; N237-Y301 PolarHBondContact ND2-O 2.99Å; R256-Y301 HydrophobicContact CG-CD2 4.27Å; R256-Y301 HydrophobicContact CG-CG 4.03Å; R256-Y301 PolarHBondContact NH1-O 3.14Å; V259-Y301 HydrophobicContact CG1-CE1 3.89Å; N260-Y301 WeakPolarHBondContact ND2-CE2 3.39Å; N260-Y301 VanDerWaalsContact ND2-CZ 3.32Å; N260-Y301 PolarHBondContact ND2-OH 2.9Å; N260-Y301 VanDerWaalsContact ND2-OH 3.15Å; T297-Y301 WeakPolarHBondContact O-CB 3.34Å; T297-Y301 PolarHBondContact O-N 3.44Å; Y301-L303 VanDerWaalsContact C-N 3.26Å; Y301-L303 PolarHBondContact O-N 3.05Å
302R96.6Very high95.1Very high99 Ų9950 Ų5037%0.37425%0.254SS..THydrogen-bonded Turntrans-73.7-17.9177.7-62.7-179.758.878.33.6113.4V64 E65 R300 N307V64-R302 HydrophobicContact CG2-CB 4.09Å; V64-R302 HydrophobicContact CG2-CG 4.43Å; V64-R302 WeakPolarHBondContact CG2-O 3.23Å; E65-R302 IonicContact OE1-CZ 3.95Å; E65-R302 VanDerWaalsContact OE1-CZ 3.24Å; E65-R302 IonicContact OE1-NH1 2.68Å; E65-R302 PolarHBondContact OE1-NH1 3.39Å; E65-R302 IonicContact OE1-NH2 3.33Å; E65-R302 PolarHBondContact OE1-NH2 3.48Å; E65-R302 IonicContact OE2-CZ 2.77Å; E65-R302 IonicContact OE2-NH1 3.19Å; E65-R302 IonicContact OE2-NH2 3.32Å; E65-R302 PolarHBondContact OE2-NH2 3.19Å; R300-R302 PolarHBondContact O-N 3.44Å; R302-N307 PolarHBondContact O-ND2 3.45Å
303L95.9Very high95.5Very high49 Ų4950 Ų5026%0.25726%0.256SS..THydrogen-bonded Turntrans-98.7-32.6178.6-50.7176000111.5L56 L57 R300 Y301 N307 S308L56-L303 HydrophobicContact CB-CB 3.91Å; L56-L303 WeakPolarHBondContact CD2-O 3.43Å; L57-L303 HydrophobicContact CD2-CD1 3.81Å; L57-L303 HydrophobicContact CD2-CD2 4.28Å; L57-L303 HydrophobicContact CG-CD1 4.26Å; R300-L303 WeakPolarHBondContact O-CB 3.49Å; R300-L303 PolarHBondContact O-N 2.92Å; Y301-L303 VanDerWaalsContact C-N 3.26Å; Y301-L303 PolarHBondContact O-N 3.05Å; L303-N307 PolarHBondContact O-OD1 3.24Å; L303-S308 WeakPolarHBondContact O-CB 3.39Å; L303-S308 PolarHBondContact O-OG 2.73Å
304D95.9Very high95.9Very high0 Ų053.6 Ų53.60%028%0.278CS..SBendtrans-111.7119-177.9175.657000113.3L56 N237 S240 N241 R256 R300 S308L56-D304 HydrophobicContact CD1-CB 3.88Å; L56-D304 HydrophobicContact CD2-CB 4.17Å; N237-D304 PolarHBondContact ND2-O 2.8Å; S240-D304 WeakPolarHBondContact CA-OD2 3.41Å; S240-D304 VanDerWaalsContact CB-OD2 3.27Å; S240-D304 WeakPolarHBondContact CB-OD2 3.41Å; S240-D304 PolarHBondContact OG-OD2 3.38Å; N241-D304 WeakPolarHBondContact CB-OD1 3.39Å; N241-D304 PolarHBondContact N-OD1 3.31Å; N241-D304 PolarHBondContact N-OD2 3.33Å; N241-D304 PolarHBondContact ND2-OD1 3.27Å; R256-D304 PolarHBondContact NH1-O 3.08Å; R256-D304 PolarHBondContact NH2-O 3.25Å; R256-D304 IonicContact NH2-OD2 3.31Å; R300-D304 HydrophobicContact CG-CB 4.17Å; R300-D304 IonicContact CZ-OD2 3.93Å; R300-D304 IonicContact NH1-OD2 2.68Å; R300-D304 PolarHBondContact NH1-OD2 3Å; R300-D304 PolarHBondContact O-N 3.16Å; D304-S308 WeakPolarHBondContact CA-OG 3.27Å
305G98.2Very high96.1Very high0 Ų054.6 Ų54.60%028%0.282CS..SBendtrans160.5-137.7177.300000112.8N237 Y239 N241 N307 S308 L309N237-G305 PolarHBondContact ND2-N 2.82Å; N237-G305 CarbonylContact O-C 3.45Å; N237-G305 WeakPolarHBondContact O-CA 3.4Å; Y239-G305 WeakPolarHBondContact O-CA 3.48Å; N241-G305 WeakPolarHBondContact ND2-CA 3.17Å; N241-G305 PolarHBondContact ND2-N 2.99Å; N241-G305 PolarHBondContact ND2-O 3.49Å; G305-N307 VanDerWaalsContact C-N 3.26Å; G305-N307 PolarHBondContact O-N 3.44Å; G305-S308 PolarHBondContact N-OG 3.37Å; G305-S308 VanDerWaalsContact N-OG 3.13Å; G305-S308 CarbonylContact O-C 3.18Å; G305-S308 PolarHBondContact O-N 3.04Å; G305-L309 PolarHBondContact O-N 2.89Å; G305-L309 VanDerWaalsContact O-N 3.08Å
306I98.2Very high96.3Very high16 Ų1653.2 Ų53.28%0.08227%0.272CS..G310 helixtrans-60-38.3178.5-61.4170.7000111.3V67 N165 F168 V169 F233 L234 N237 S308 L309V67-I306 HydrophobicContact CG1-CG2 3.92Å; N165-I306 HydrophobicContact CB-CG1 4.44Å; F168-I306 HydrophobicContact CD1-CD1 4.02Å; F168-I306 HydrophobicContact CE1-CD1 4.03Å; V169-I306 HydrophobicContact CG2-CG2 3.81Å; F233-I306 HydrophobicContact CD1-CD1 3.72Å; F233-I306 HydrophobicContact CE1-CD1 3.57Å; F233-I306 HydrophobicContact CE1-CG1 4.31Å; L234-I306 HydrophobicContact CD2-CD1 4.3Å; N237-I306 PolarHBondContact O-N 3.08Å; N237-I306 PolarHBondContact OD1-N 2.91Å; N237-I306 VanDerWaalsContact OD1-N 3.13Å; I306-S308 VanDerWaalsContact C-N 3.27Å; I306-S308 PolarHBondContact O-N 3.1Å; I306-L309 WeakPolarHBondContact O-CB 3.43Å; I306-L309 PolarHBondContact O-N 2.73Å
307N97.5Very high96.5Very high15 Ų1552.2 Ų52.28%0.0827%0.268CS..G310 helixtrans-67.3-24.4-177.469.5-23.5000114.8I61 P62 V67 N237 R302 L303 G305I61-N307 HydrophobicContact CG2-CB 4.37Å; P62-N307 WeakPolarHBondContact CD-O 3.15Å; P62-N307 HydrophobicContact CG-CB 4.36Å; P62-N307 WeakPolarHBondContact O-CB 3.33Å; P62-N307 PolarHBondContact O-ND2 3.34Å; V67-N307 HydrophobicContact CG2-CB 3.69Å; N237-N307 PolarHBondContact ND2-OD1 2.85Å; N237-N307 PolarHBondContact OD1-N 3.19Å; N237-N307 VanDerWaalsContact OD1-N 3.12Å; N237-N307 PolarHBondContact OD1-OD1 2.81Å; R302-N307 PolarHBondContact O-ND2 3.45Å; L303-N307 PolarHBondContact O-OD1 3.24Å; G305-N307 VanDerWaalsContact C-N 3.26Å; G305-N307 PolarHBondContact O-N 3.44Å
308S96.9Very high96.4Very high13 Ų1354.3 Ų54.39%0.09128%0.279CS..G310 helixtrans-113.516.2176.850.10000112.7L303 D304 G305 I306 N310L303-S308 WeakPolarHBondContact O-CB 3.39Å; L303-S308 PolarHBondContact O-OG 2.73Å; D304-S308 WeakPolarHBondContact CA-OG 3.27Å; G305-S308 PolarHBondContact N-OG 3.37Å; G305-S308 VanDerWaalsContact N-OG 3.13Å; G305-S308 CarbonylContact O-C 3.18Å; G305-S308 PolarHBondContact O-N 3.04Å; I306-S308 VanDerWaalsContact C-N 3.27Å; I306-S308 PolarHBondContact O-N 3.1Å; S308-N310 PolarHBondContact O-N 2.98Å
309L97.1Very high96.2Very high29 Ų2948.9 Ų48.915%0.15226%0.255CS..  trans-65.7124.8-178.7-174.868.2000110.5I162 N165 V169 N241 G305 I306 Y311I162-L309 HydrophobicContact CB-CD1 4.31Å; I162-L309 HydrophobicContact CG1-CD1 4.34Å; I162-L309 HydrophobicContact CG2-CD1 3.93Å; N165-L309 HydrophobicContact CB-CD1 3.65Å; N165-L309 HydrophobicContact CB-CD2 3.89Å; N165-L309 HydrophobicContact CB-CG 4.38Å; V169-L309 HydrophobicContact CG2-CD2 4.14Å; N241-L309 WeakPolarHBondContact OD1-CD1 3.41Å; G305-L309 PolarHBondContact O-N 2.89Å; G305-L309 VanDerWaalsContact O-N 3.08Å; I306-L309 WeakPolarHBondContact O-CB 3.43Å; I306-L309 PolarHBondContact O-N 2.73Å; L309-Y311 HydrophobicContact CD2-CD1 3.9Å; L309-Y311 HydrophobicContact CD2-CE1 3.69Å; L309-Y311 HydrophobicContact CG-CD1 3.8Å; L309-Y311 HydrophobicContact CG-CE1 4.05Å
310N95.2Very high96.1Very high127 Ų12745.6 Ų45.668%0.67923%0.234SC*.  trans-125.9126.7175.7-17428.9000109.6S308S308-N310 PolarHBondContact O-N 2.98Å
311Y97.3Very high95.7Very high55 Ų5546.2 Ų46.222%0.21624%0.236CC..  trans-160.9161-179.866.2-79.3000110.1T166 E170 L309 L313 I361 D362T166-Y311 HydrophobicContact CG2-CD1 4.29Å; T166-Y311 HydrophobicContact CG2-CD2 3.36Å; T166-Y311 HydrophobicContact CG2-CE1 4.25Å; T166-Y311 HydrophobicContact CG2-CE2 3.32Å; T166-Y311 HydrophobicContact CG2-CG 3.87Å; T166-Y311 VanDerWaalsContact OG1-CD1 3.31Å; T166-Y311 WeakPolarHBondContact OG1-CD1 3.32Å; T166-Y311 VanDerWaalsContact OG1-CG 3.23Å; E170-Y311 HydrophobicContact CG-CE2 4.45Å; E170-Y311 PolarHBondContact OE1-OH 2.87Å; L309-Y311 HydrophobicContact CD2-CD1 3.9Å; L309-Y311 HydrophobicContact CD2-CE1 3.69Å; L309-Y311 HydrophobicContact CG-CD1 3.8Å; L309-Y311 HydrophobicContact CG-CE1 4.05Å; Y311-L313 HydrophobicContact CD2-CB 4.42Å; Y311-L313 HydrophobicContact CE2-CB 4.14Å; Y311-I361 HydrophobicContact CD2-CG2 4.32Å; Y311-I361 HydrophobicContact CG-CG2 4.49Å; Y311-D362 WeakPolarHBondContact CA-O 3.46Å
312T98.1Very high94.9Very high83 Ų8348.5 Ų48.551%0.50925%0.25SC..EExtended strand (participates in β ladder)trans-113.4121.5165.6-59.50000109.4V314 D362T312-V314 HydrophobicContact CG2-CG2 4.32Å; T312-V314 PolarHBondContact O-N 3.47Å; T312-D362 PolarHBondContact N-O 2.81Å; T312-D362 PolarHBondContact O-N 3.3Å
313L98.1Very high94.1Very high57 Ų5748.5 Ų48.530%0.29825%0.254SS..EExtended strand (participates in β ladder)trans-78.8102.5171-176.764000109E170 Y311 E315 L359 I361E170-L313 HydrophobicContact CG-CD2 4.26Å; Y311-L313 HydrophobicContact CD2-CB 4.42Å; Y311-L313 HydrophobicContact CE2-CB 4.14Å; L313-E315 WeakPolarHBondContact CD1-O 3.2Å; L313-L359 HydrophobicContact CD1-CB 4.25Å; L313-L359 HydrophobicContact CD1-CD2 4.04Å; L313-I361 HydrophobicContact CD1-CG1 4.44Å
314V98.1Very high93Very high80 Ų8046.8 Ų46.849%0.48524%0.244SC..EExtended strand (participates in β ladder)trans-79.8-38.2-176.9177.10000111.3I153 T312 K360 D362I153-V314 HydrophobicContact CD1-CB 3.85Å; I153-V314 HydrophobicContact CD1-CG1 3.9Å; I153-V314 HydrophobicContact CD1-CG2 3.59Å; T312-V314 HydrophobicContact CG2-CG2 4.32Å; T312-V314 PolarHBondContact O-N 3.47Å; V314-K360 HydrophobicContact CB-CB 4.35Å; V314-K360 PolarHBondContact N-O 3.27Å; V314-D362 HydrophobicContact CG2-CB 4.1Å
315E97.7Very high91.8Very high68 Ų6850 Ų5032%0.31826%0.259SS..EExtended strand (participates in β ladder)trans-149142.5177.3-162-179.5162.800110.5L313 Q317 L359 K360L313-E315 WeakPolarHBondContact CD1-O 3.2Å; E315-Q317 PolarHBondContact OE1-OE1 2.88Å; E315-L359 WeakPolarHBondContact O-CA 3.5Å; E315-K360 HydrophobicContact CB-CB 3.84Å; E315-K360 HydrophobicContact CB-CD 3.97Å; E315-K360 HydrophobicContact CB-CG 4.13Å; E315-K360 PolarHBondContact N-O 3.42Å; E315-K360 PolarHBondContact O-N 3.12Å; E315-K360 VanDerWaalsContact OE2-CD 3.31Å; E315-K360 WeakPolarHBondContact OE2-CD 3.41Å; E315-K360 VanDerWaalsContact OE2-CE 3.28Å; E315-K360 WeakPolarHBondContact OE2-CE 3.36Å; E315-K360 IonicContact OE2-NZ 3.94Å; E315-K360 PolarHBondContact OE2-NZ 3.47Å
316S97.4Very high90.6Very high49 Ų4952.9 Ų52.934%0.34328%0.279SS..EExtended strand (participates in β ladder)trans-135.2106.4172.2-178.30000108.5L359S316-L359 WeakPolarHBondContact OG-CD2 3.32Å
317Q95.4Very high89Confident73 Ų7356 Ų5634%0.34130%0.296SS..EExtended strand (participates in β ladder)trans-130.8124.6-174.2-167-177.712.900110.9E315 K319 H358E315-Q317 PolarHBondContact OE1-OE1 2.88Å; Q317-K319 HydrophobicContact CG-CG 4.38Å; Q317-H358 PolarHBondContact N-O 3.38Å; Q317-H358 PolarHBondContact O-N 3.18Å
318I93.6Very high87.3Confident45 Ų4557 Ų5723%0.23130%0.301CS..EExtended strand (participates in β ladder)trans-92.2131.9170.1-166.5154000110.5L93 L146 W174 P355 I356 L357L93-I318 HydrophobicContact CD1-CD1 3.65Å; L93-I318 HydrophobicContact CD2-CD1 4.08Å; L93-I318 HydrophobicContact CD2-CG1 4.39Å; L93-I318 HydrophobicContact CG-CD1 4.42Å; L146-I318 HydrophobicContact CD1-CD1 4.4Å; W174-I318 HydrophobicContact CE3-CD1 3.87Å; W174-I318 HydrophobicContact CH2-CB 4.01Å; W174-I318 HydrophobicContact CH2-CG2 3.96Å; W174-I318 HydrophobicContact CZ3-CB 3.93Å; W174-I318 HydrophobicContact CZ3-CD1 3.72Å; W174-I318 HydrophobicContact CZ3-CG1 4.47Å; W174-I318 HydrophobicContact CZ3-CG2 3.87Å; I318-P355 HydrophobicContact CD1-CB 4.02Å; I318-P355 HydrophobicContact CG1-CB 4.43Å; I318-I356 WeakPolarHBondContact CA-O 3.5Å; I318-L357 HydrophobicContact CB-CD1 4.45Å
319K90.5Very high85.4Confident36 Ų3659.1 Ų59.116%0.15731%0.311CS..EExtended strand (participates in β ladder)trans-127.9150.5174.6-65.3-179.7-176.3168.80109.5Q317 F324 L327 I356Q317-K319 HydrophobicContact CG-CG 4.38Å; K319-F324 HydrophobicContact CB-CB 4.48Å; K319-F324 HydrophobicContact CD-CD2 4.43Å; K319-L327 HydrophobicContact CD-CD1 3.75Å; K319-I356 PolarHBondContact N-O 2.95Å; K319-I356 PolarHBondContact O-N 3.34Å
320L89.1Confident83.4Confident40 Ų4062.8 Ų62.821%0.20933%0.331CS..EExtended strand (participates in β ladder)trans-81148.8168-61.3-178.5000109.8L93 N322 Q323 F324L93-L320 HydrophobicContact CD2-CD2 4.01Å; L320-N322 WeakPolarHBondContact CB-OD1 3.47Å; L320-N322 PolarHBondContact O-N 3.49Å; L320-N322 VanDerWaalsContact O-N 3.16Å; L320-Q323 HydrophobicContact CB-CG 4.45Å; L320-Q323 VanDerWaalsContact N-OE1 3.14Å; L320-Q323 WeakPolarHBondContact O-CB 3.45Å; L320-Q323 PolarHBondContact O-N 3.14Å; L320-F324 PolarHBondContact O-N 3.45Å
321Y85.2Confident81.3Confident21 Ų2163.2 Ų63.28%0.08233%0.333CS..Hα-helixtrans-52-38.7-178.7170.4-107.9000113.3I131 P132 V135 Q323 F324 H325 K351 Y354 I356I131-Y321 HydrophobicContact CG2-CD2 3.84Å; I131-Y321 HydrophobicContact CG2-CE2 3.92Å; P132-Y321 HydrophobicContact CB-CE2 4.36Å; P132-Y321 WeakPolarHBondContact CB-OH 3.08Å; P132-Y321 HydrophobicContact CG-CE2 4.14Å; P132-Y321 WeakPolarHBondContact CG-OH 3.35Å; V135-Y321 HydrophobicContact CG1-CD1 4.44Å; V135-Y321 HydrophobicContact CG1-CG 4.32Å; V135-Y321 HydrophobicContact CG2-CD2 4.02Å; V135-Y321 HydrophobicContact CG2-CG 4.37Å; Y321-Q323 PolarHBondContact O-N 2.63Å; Y321-F324 PolarHBondContact O-N 3.34Å; Y321-H325 HydrophobicContact CE2-CB 4.38Å; Y321-H325 VanDerWaalsContact O-CB 3.23Å; Y321-H325 WeakPolarHBondContact O-CB 3.31Å; Y321-H325 PolarHBondContact O-N 3.2Å; Y321-K351 WeakPolarHBondContact CD1-O 3.41Å; Y321-Y354 PolarHBondContact N-O 2.8Å; Y321-I356 HydrophobicContact CD2-CD1 4.13Å
322N80.9Confident78.6Confident63 Ų6365 Ų6534%0.33734%0.344SS..Hα-helixtrans-62.7-40.4175.564-18.4000113.6L320 S326 L352L320-N322 WeakPolarHBondContact CB-OD1 3.47Å; L320-N322 PolarHBondContact O-N 3.49Å; L320-N322 VanDerWaalsContact O-N 3.16Å; N322-S326 WeakPolarHBondContact O-CB 3.22Å; N322-S326 PolarHBondContact O-N 2.91Å; N322-L352 HydrophobicContact CB-CB 4.21Å; N322-L352 HydrophobicContact CB-CD2 3.76Å; N322-L352 PolarHBondContact N-O 2.89Å; N322-L352 VanDerWaalsContact N-O 3.13Å; N322-L352 PolarHBondContact OD1-O 3.37Å
323Q78.7Confident75.7Confident99 Ų9966.3 Ų66.346%0.46335%0.351SS..Hα-helixtrans-69.8-42.3175.7-64.4170-26.200110.7L320 Y321 S326 L327L320-Q323 HydrophobicContact CB-CG 4.45Å; L320-Q323 VanDerWaalsContact N-OE1 3.14Å; L320-Q323 WeakPolarHBondContact O-CB 3.45Å; L320-Q323 PolarHBondContact O-N 3.14Å; Y321-Q323 PolarHBondContact O-N 2.63Å; Q323-S326 PolarHBondContact O-N 3.42Å; Q323-L327 VanDerWaalsContact O-CG 3.29Å; Q323-L327 WeakPolarHBondContact O-CG 3.4Å; Q323-L327 PolarHBondContact O-N 2.71Å
324F74.3Confident72.8Confident14 Ų1469.7 Ų69.76%0.06137%0.374CS..Hα-helixtrans-61.4-46.6176.8-170-95.7000111.1L127 I131 K319 L320 Y321 L327 L328 I356L127-F324 HydrophobicContact CD2-CZ 4.18Å; I131-F324 HydrophobicContact CB-CE1 4.32Å; I131-F324 HydrophobicContact CG1-CE1 3.92Å; I131-F324 HydrophobicContact CG1-CZ 4.5Å; I131-F324 HydrophobicContact CG2-CD1 4.13Å; I131-F324 HydrophobicContact CG2-CE1 4.09Å; K319-F324 HydrophobicContact CB-CB 4.48Å; K319-F324 HydrophobicContact CD-CD2 4.43Å; L320-F324 PolarHBondContact O-N 3.45Å; Y321-F324 PolarHBondContact O-N 3.34Å; F324-L327 PolarHBondContact O-N 2.8Å; F324-L328 HydrophobicContact CD1-CD1 3.49Å; F324-L328 VanDerWaalsContact CD1-CD1 3.49Å; F324-L328 HydrophobicContact CD1-CG 4.41Å; F324-L328 HydrophobicContact CE1-CD1 3.22Å; F324-L328 HydrophobicContact CE1-CG 4.23Å; F324-L328 HydrophobicContact CG-CD1 4.43Å; F324-L328 HydrophobicContact CZ-CD1 3.97Å; F324-L328 WeakPolarHBondContact O-CG 3.25Å; F324-L328 PolarHBondContact O-N 3.31Å; F324-L328 VanDerWaalsContact O-N 3.12Å; F324-I356 HydrophobicContact CB-CD1 4.05Å; F324-I356 HydrophobicContact CD1-CD1 3.89Å; F324-I356 HydrophobicContact CD2-CD1 4.48Å; F324-I356 HydrophobicContact CD2-CG2 4.31Å; F324-I356 HydrophobicContact CE1-CD1 4.49Å; F324-I356 HydrophobicContact CE2-CG2 4.32Å; F324-I356 HydrophobicContact CG-CD1 3.89Å
325H69.8Low69.7Low68 Ų6873.7 Ų73.732%0.31539%0.385SS..Hα-helixtrans-66.9-38.8178-168.560.7000112.5Y321 N329Y321-H325 HydrophobicContact CE2-CB 4.38Å; Y321-H325 VanDerWaalsContact O-CB 3.23Å; Y321-H325 WeakPolarHBondContact O-CB 3.31Å; Y321-H325 PolarHBondContact O-N 3.2Å; H325-N329 PolarHBondContact CD2-ND2 2.82Å; H325-N329 PolarHBondContact CE1-ND2 3.45Å; H325-N329 PolarHBondContact NE2-ND2 2.83Å; H325-N329 WeakPolarHBondContact O-CB 3.36Å; H325-N329 VanDerWaalsContact O-CG 3.26Å; H325-N329 PolarHBondContact O-N 2.85Å
326S72.9Confident66.5Low59 Ų5977.1 Ų77.141%0.41341%0.411SS..Hα-helixtrans-65.3-37.6175.1-177.50000112.9N322 Q323 N330N322-S326 WeakPolarHBondContact O-CB 3.22Å; N322-S326 PolarHBondContact O-N 2.91Å; Q323-S326 PolarHBondContact O-N 3.42Å; S326-N330 WeakPolarHBondContact O-CB 3.08Å; S326-N330 PolarHBondContact O-N 3.25Å; S326-N330 PolarHBondContact O-ND2 3.19Å
327L65Low63.2Low82 Ų8280.6 Ų80.643%0.42943%0.43SS..Hα-helixtrans-65.9-47.2177.1-74.3167.8000111K319 Q323 F324 N329 N330 D331K319-L327 HydrophobicContact CD-CD1 3.75Å; Q323-L327 VanDerWaalsContact O-CG 3.29Å; Q323-L327 WeakPolarHBondContact O-CG 3.4Å; Q323-L327 PolarHBondContact O-N 2.71Å; F324-L327 PolarHBondContact O-N 2.8Å; L327-N329 VanDerWaalsContact C-N 3.34Å; L327-N329 PolarHBondContact O-N 3.39Å; L327-N330 PolarHBondContact O-N 2.91Å; L327-D331 PolarHBondContact O-N 2.76Å
328L61.1Low60.1Low35 Ų3585.4 Ų85.418%0.18345%0.452CS..Hα-helixtrans-62-41.7177.5-69.8169.6000112.2M128 F324 E332M128-L328 HydrophobicContact CG-CB 4.22Å; M128-L328 HydrophobicContact CG-CD1 3.84Å; M128-L328 HydrophobicContact CG-CD2 3.8Å; M128-L328 HydrophobicContact CG-CG 4.16Å; M128-L328 HydrophobicContact SD-CB 3.96Å; M128-L328 HydrophobicContact SD-CD2 4.04Å; M128-L328 HydrophobicContact SD-CG 4.43Å; F324-L328 HydrophobicContact CD1-CD1 3.49Å; F324-L328 VanDerWaalsContact CD1-CD1 3.49Å; F324-L328 HydrophobicContact CD1-CG 4.41Å; F324-L328 HydrophobicContact CE1-CD1 3.22Å; F324-L328 HydrophobicContact CE1-CG 4.23Å; F324-L328 HydrophobicContact CG-CD1 4.43Å; F324-L328 HydrophobicContact CZ-CD1 3.97Å; F324-L328 WeakPolarHBondContact O-CG 3.25Å; F324-L328 PolarHBondContact O-N 3.31Å; F324-L328 VanDerWaalsContact O-N 3.12Å; L328-E332 PolarHBondContact O-N 2.94Å
329N57.8Low57.2Low58 Ų5893.5 Ų93.531%0.3149%0.486SS..Hα-helixtrans-72.7-33.4178.1-70-9.6000111.9H325 L327 D331 E332 V333H325-N329 PolarHBondContact CD2-ND2 2.82Å; H325-N329 PolarHBondContact CE1-ND2 3.45Å; H325-N329 PolarHBondContact NE2-ND2 2.83Å; H325-N329 WeakPolarHBondContact O-CB 3.36Å; H325-N329 VanDerWaalsContact O-CG 3.26Å; H325-N329 PolarHBondContact O-N 2.85Å; L327-N329 VanDerWaalsContact C-N 3.34Å; L327-N329 PolarHBondContact O-N 3.39Å; N329-D331 PolarHBondContact O-N 3.38Å; N329-E332 CarbonylContact O-C 3.54Å; N329-E332 VanDerWaalsContact O-CA 3.3Å; N329-E332 WeakPolarHBondContact O-CA 3.48Å; N329-E332 PolarHBondContact O-N 3.45Å; N329-V333 VanDerWaalsContact O-CG2 3.27Å; N329-V333 WeakPolarHBondContact O-CG2 3.31Å; N329-V333 PolarHBondContact O-N 3.44Å
330N56.2Low54.4Low106 Ų106100.2 Ų100.257%0.56752%0.523SS*.Hα-helixtrans-63.5-28178-78.6-15.5000112.7S326 L327 E332S326-N330 WeakPolarHBondContact O-CB 3.08Å; S326-N330 PolarHBondContact O-N 3.25Å; S326-N330 PolarHBondContact O-ND2 3.19Å; L327-N330 PolarHBondContact O-N 2.91Å; N330-E332 VanDerWaalsContact C-N 3.3Å
331D50.7Low51.7Low136 Ų136107.3 Ų107.373%0.72756%0.555SS**Hα-helixtrans-71.1-26.2169.1-66.2-30.4000112L327 N329L327-D331 PolarHBondContact O-N 2.76Å; N329-D331 PolarHBondContact O-N 3.38Å
332E39.9Very low49.2Very low94 Ų94115.2 Ų115.244%0.43959%0.592SS.*Hα-helixtrans-101.5-3.7176.9-74.5-163.5160.500115.6M128 L328 N329 N330 T334 K335M128-E332 VanDerWaalsContact CE-OE1 3.27Å; M128-E332 WeakPolarHBondContact CE-OE1 3.18Å; L328-E332 PolarHBondContact O-N 2.94Å; N329-E332 CarbonylContact O-C 3.54Å; N329-E332 VanDerWaalsContact O-CA 3.3Å; N329-E332 WeakPolarHBondContact O-CA 3.48Å; N329-E332 PolarHBondContact O-N 3.45Å; N330-E332 VanDerWaalsContact C-N 3.3Å; E332-T334 CarbonylContact O-C 3.52Å; E332-T334 PolarHBondContact O-N 2.91Å; E332-K335 CarbonylContact O-C 3.6Å; E332-K335 WeakPolarHBondContact O-CA 3.22Å; E332-K335 PolarHBondContact O-N 3.49Å
333V38.2Very low47Very low109 Ų109119.5 Ų119.566%0.66162%0.615SS**THydrogen-bonded Turntrans-66.1-2.1-179162.40000111.9N329 K335N329-V333 VanDerWaalsContact O-CG2 3.27Å; N329-V333 WeakPolarHBondContact O-CG2 3.31Å; N329-V333 PolarHBondContact O-N 3.44Å; V333-K335 VanDerWaalsContact C-N 3.3Å
334T36.6Very low44.9Very low129 Ų129119.5 Ų119.579%0.79162%0.619SS**THydrogen-bonded Turntrans-75.6-6.3159.846.40000114.9E332E332-T334 CarbonylContact O-C 3.52Å; E332-T334 PolarHBondContact O-N 2.91Å
335K33.3Very low43.2Very low163 Ų163124.6 Ų124.671%0.70965%0.651SS**SBendtrans-151.2100179.5-64.4-175.7-176.2170.10113.6E332 V333E332-K335 CarbonylContact O-C 3.6Å; E332-K335 WeakPolarHBondContact O-CA 3.22Å; E332-K335 PolarHBondContact O-N 3.49Å; V333-K335 VanDerWaalsContact C-N 3.3Å
336T29.3Very low41.7Very low140 Ų140129.7 Ų129.786%0.85967%0.672SS**  trans83.6102.4153.6-160000118.8
337T27.7Very low40.4Very low122 Ų122135.2 Ų135.275%0.74868%0.684SS**  trans-73.8132.6161.637.20000111.4
338H30.3Very low39.9Very low175 Ų175134.3 Ų134.381%0.8168%0.684SS**  trans157.592.9144.5-94.6-75.5000110.6
339F33.3Very low39.5Very low214 Ų214137.1 Ų137.194%0.93970%0.699SS**  trans-168.783.3153.2-87.8-64.3000110.8
340L32.5Very low39.6Very low178 Ų178136.9 Ų136.993%0.93270%0.702SS**  trans-15692.3154.6-77.2-175.4000109.6
341H31.4Very low40Very low189 Ų189134.4 Ų134.488%0.87569%0.686SS**  trans-145.5113.5158.3-112.6-43.7000108.1
342E33Very low41Very low186 Ų186131.2 Ų131.287%0.86967%0.668SS**  165.6145.1127.1-90.5-177.1171.800114.5N344E342-N344 PolarHBondContact O-N 3.23Å
343N34.2Very low43.1Very low153 Ų153130.6 Ų130.682%0.81867%0.668SS**  trans-38.3106.1-177.9-66.2-33.6000117.7
344N35.9Very low45.5Very low100 Ų100126.2 Ų126.254%0.53564%0.64SS.*  trans-174.184.7147.3-99.4-41.7000109.3E342 F346 R347 S348E342-N344 PolarHBondContact O-N 3.23Å; N344-F346 PolarHBondContact O-N 2.91Å; N344-R347 HydrophobicContact CB-CB 4.18Å; N344-R347 PolarHBondContact O-N 3.35Å; N344-S348 WeakPolarHBondContact O-CB 3.35Å; N344-S348 PolarHBondContact O-N 2.98Å
345T37.8Very low48.3Very low120 Ų120120.4 Ų120.474%0.73660%0.604SS**Hα-helixtrans-57.2-44.9-172.644.20000113.1S348 I349T345-S348 PolarHBondContact O-N 3.43Å; T345-I349 WeakPolarHBondContact O-CB 3.31Å; T345-I349 VanDerWaalsContact O-CD1 3.27Å; T345-I349 WeakPolarHBondContact O-CD1 3.38Å; T345-I349 WeakPolarHBondContact O-CG1 3.5Å; T345-I349 PolarHBondContact O-N 2.76Å
346F39.6Very low51.2Low175 Ų175112.7 Ų112.777%0.76857%0.571SS**Hα-helixtrans-69.6-44-179.2-167.6-98.6000113.6N344 I349 S350N344-F346 PolarHBondContact O-N 2.91Å; F346-I349 PolarHBondContact O-N 2.88Å; F346-S350 PolarHBondContact O-N 3.32Å
347R43.8Very low54.5Low176 Ų176106 Ų10666%0.66453%0.53SS*.Hα-helixtrans-71.9-28.8176.1-68.6-179.6173.3169.7-2.6112.7N344 S350 K351N344-R347 HydrophobicContact CB-CB 4.18Å; N344-R347 PolarHBondContact O-N 3.35Å; R347-S350 PolarHBondContact O-OG 3.24Å; R347-K351 PolarHBondContact O-N 3.44Å; R347-K351 VanDerWaalsContact O-N 3.16Å
348S54.6Low57.8Low62 Ų62101.6 Ų101.643%0.43450%0.501SS..Hα-helixtrans-67-45.2172.4-179.70000110.5N344 T345 S350 K351 L352N344-S348 WeakPolarHBondContact O-CB 3.35Å; N344-S348 PolarHBondContact O-N 2.98Å; T345-S348 PolarHBondContact O-N 3.43Å; S348-S350 PolarHBondContact O-N 2.96Å; S348-K351 PolarHBondContact O-N 3.22Å; S348-L352 VanDerWaalsContact O-CG 3.26Å; S348-L352 WeakPolarHBondContact O-CG 3.21Å; S348-L352 PolarHBondContact O-N 3.46Å
349I52.7Low61Low95 Ų9593.3 Ų93.349%0.48746%0.462SS..Hα-helixtrans-61.9-41.8176-67.8161.1000111.5T345 F346 K351 L352 N353T345-I349 WeakPolarHBondContact O-CB 3.31Å; T345-I349 VanDerWaalsContact O-CD1 3.27Å; T345-I349 WeakPolarHBondContact O-CD1 3.38Å; T345-I349 WeakPolarHBondContact O-CG1 3.5Å; T345-I349 PolarHBondContact O-N 2.76Å; F346-I349 PolarHBondContact O-N 2.88Å; I349-K351 VanDerWaalsContact C-N 3.35Å; I349-K351 PolarHBondContact O-N 3.39Å; I349-L352 PolarHBondContact O-N 2.89Å; I349-N353 PolarHBondContact O-N 3.27Å
350S59.9Low64.1Low52 Ų5286 Ų8636%0.36443%0.43SS..Hα-helixtrans-65.1-37.317869.80000112.6F346 R347 S348F346-S350 PolarHBondContact O-N 3.32Å; R347-S350 PolarHBondContact O-OG 3.24Å; S348-S350 PolarHBondContact O-N 2.96Å
351K65.9Low67.3Low55 Ų5577.6 Ų77.624%0.23939%0.386CS..Hα-helixtrans-63.9-41.4174.6-160.8-174.2178.4172.90112.1P132 V135 Y321 R347 S348 I349 N353 Y354P132-K351 PolarHBondContact O-NZ 2.93Å; V135-K351 HydrophobicContact CG1-CD 4.43Å; V135-K351 HydrophobicContact CG1-CG 3.53Å; Y321-K351 WeakPolarHBondContact CD1-O 3.41Å; R347-K351 PolarHBondContact O-N 3.44Å; R347-K351 VanDerWaalsContact O-N 3.16Å; S348-K351 PolarHBondContact O-N 3.22Å; I349-K351 VanDerWaalsContact C-N 3.35Å; I349-K351 PolarHBondContact O-N 3.39Å; K351-N353 VanDerWaalsContact C-N 3.29Å; K351-N353 PolarHBondContact O-N 3.4Å; K351-Y354 WeakPolarHBondContact O-CB 3.25Å; K351-Y354 PolarHBondContact O-N 2.88Å
352L71.2Confident70.4Confident69 Ų6971.4 Ų71.436%0.36136%0.359SS..Hα-helixtrans-66.4-29-175.9-71.4167.2000113.3N322 S348 I349N322-L352 HydrophobicContact CB-CB 4.21Å; N322-L352 HydrophobicContact CB-CD2 3.76Å; N322-L352 PolarHBondContact N-O 2.89Å; N322-L352 VanDerWaalsContact N-O 3.13Å; N322-L352 PolarHBondContact OD1-O 3.37Å; S348-L352 VanDerWaalsContact O-CG 3.26Å; S348-L352 WeakPolarHBondContact O-CG 3.21Å; S348-L352 PolarHBondContact O-N 3.46Å; I349-L352 PolarHBondContact O-N 2.89Å
353N83Confident73.4Confident80 Ų8063 Ų6343%0.42832%0.32SS..THydrogen-bonded Turntrans-9716.2-178.8-66.6-29.2000113.7I349 K351I349-N353 PolarHBondContact O-N 3.27Å; K351-N353 VanDerWaalsContact C-N 3.29Å; K351-N353 PolarHBondContact O-N 3.4Å
354Y90.5Very high76.3Confident17 Ų1757.1 Ų57.17%0.06730%0.296CS..  trans-67.7126.8179.4-165-76.5000110.6V135 L138 S145 L147 Y321 K351 I356V135-Y354 HydrophobicContact CG1-CD2 4.1Å; V135-Y354 HydrophobicContact CG1-CG 3.89Å; V135-Y354 HydrophobicContact CG2-CD1 3.96Å; V135-Y354 HydrophobicContact CG2-CE1 4.49Å; V135-Y354 HydrophobicContact CG2-CG 4.08Å; L138-Y354 HydrophobicContact CB-CE2 4.15Å; L138-Y354 VanDerWaalsContact CD1-OH 3.31Å; L138-Y354 WeakPolarHBondContact CD1-OH 3.25Å; S145-Y354 WeakPolarHBondContact CB-OH 3.26Å; S145-Y354 PolarHBondContact OG-OH 2.99Å; L147-Y354 HydrophobicContact CB-CE1 3.76Å; Y321-Y354 PolarHBondContact N-O 2.8Å; K351-Y354 WeakPolarHBondContact O-CB 3.25Å; K351-Y354 PolarHBondContact O-N 2.88Å; Y354-I356 HydrophobicContact CD1-CG1 4.45Å
355P93.4Very high79Confident7 Ų760.4 Ų60.45%0.04531%0.306CS..EExtended strand (participates in β ladder)trans-76.8130.8-177.630.6-34.7000112L93 F94 L146 I318L93-P355 HydrophobicContact CD2-CB 4.43Å; F94-P355 HydrophobicContact CD1-CG 4.44Å; F94-P355 HydrophobicContact CE1-CG 4Å; L146-P355 HydrophobicContact CD1-CB 3.93Å; L146-P355 HydrophobicContact CD1-CG 4.12Å; I318-P355 HydrophobicContact CD1-CB 4.02Å; I318-P355 HydrophobicContact CG1-CB 4.43Å
356I95.6Very high81.4Confident1 Ų155 Ų551%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-123.1117.8173.9-58.3172.3000108.1I131 L147 V149 I318 K319 Y321 F324 Y354I131-I356 HydrophobicContact CG2-CD1 3.6Å; L147-I356 HydrophobicContact CB-CG1 4.49Å; L147-I356 HydrophobicContact CD2-CG2 4.09Å; L147-I356 CarbonylContact O-C 3.57Å; L147-I356 WeakPolarHBondContact O-CA 3.34Å; V149-I356 HydrophobicContact CG2-CG2 4.15Å; I318-I356 WeakPolarHBondContact CA-O 3.5Å; K319-I356 PolarHBondContact N-O 2.95Å; K319-I356 PolarHBondContact O-N 3.34Å; Y321-I356 HydrophobicContact CD2-CD1 4.13Å; F324-I356 HydrophobicContact CB-CD1 4.05Å; F324-I356 HydrophobicContact CD1-CD1 3.89Å; F324-I356 HydrophobicContact CD2-CD1 4.48Å; F324-I356 HydrophobicContact CD2-CG2 4.31Å; F324-I356 HydrophobicContact CE1-CD1 4.49Å; F324-I356 HydrophobicContact CE2-CG2 4.32Å; F324-I356 HydrophobicContact CG-CD1 3.89Å; Y354-I356 HydrophobicContact CD1-CG1 4.45Å
357L97.3Very high83.5Confident0 Ų047.8 Ų47.80%024%0.243CC..EExtended strand (participates in β ladder)trans-91.8124.3173.2178.463.7000109.2L146 L147 I148 V149 W174 I318 L359L146-L357 HydrophobicContact CD1-CB 4.19Å; L146-L357 HydrophobicContact CD2-CB 4.37Å; L146-L357 HydrophobicContact CD2-CD2 4.26Å; L146-L357 HydrophobicContact CG-CB 4.47Å; L147-L357 PolarHBondContact O-N 3.38Å; I148-L357 CarbonylContact C-O 3.5Å; I148-L357 VanDerWaalsContact CA-O 3.26Å; I148-L357 WeakPolarHBondContact CA-O 3.46Å; I148-L357 HydrophobicContact CD1-CD2 4.29Å; I148-L357 HydrophobicContact CG1-CB 4.24Å; I148-L357 HydrophobicContact CG1-CD2 4.32Å; I148-L357 HydrophobicContact CG2-CB 4.42Å; I148-L357 HydrophobicContact CG2-CD2 4.28Å; I148-L357 HydrophobicContact CG2-CG 4.39Å; V149-L357 PolarHBondContact N-O 3.06Å; W174-L357 VanDerWaalsContact CD1-CD2 3.46Å; W174-L357 HydrophobicContact CD2-CD1 4.29Å; W174-L357 HydrophobicContact CD2-CD2 4.2Å; W174-L357 HydrophobicContact CG-CD2 3.91Å; W174-L357 HydrophobicContact CH2-CD1 4.28Å; W174-L357 HydrophobicContact CZ2-CD1 3.66Å; I318-L357 HydrophobicContact CB-CD1 4.45Å; L357-L359 HydrophobicContact CD1-CD2 4.03Å; L357-L359 HydrophobicContact CD2-CD1 4.41Å; L357-L359 HydrophobicContact CD2-CD2 3.93Å; L357-L359 HydrophobicContact CD2-CG 4.22Å; L357-L359 HydrophobicContact CG-CD2 3.84Å; L357-L359 HydrophobicContact CG-CG 4.08Å
358H97.6Very high85.3Confident30 Ų3044.6 Ų44.614%0.13924%0.243CC..EExtended strand (participates in β ladder)trans-107.3117.2173.3-172.5-172.7000108.7V149 E151 Q317V149-H358 WeakPolarHBondContact O-CA 3.39Å; E151-H358 IonicContact OE2-CD2 3.24Å; E151-H358 IonicContact OE2-CE1 2.99Å; E151-H358 PolarHBondContact OE2-CE1 3.42Å; E151-H358 IonicContact OE2-NE2 2.71Å; E151-H358 PolarHBondContact OE2-NE2 2.98Å; Q317-H358 PolarHBondContact N-O 3.38Å; Q317-H358 PolarHBondContact O-N 3.18Å
359L98.5Very high86.2Confident0 Ų044.5 Ų44.50%024%0.236CC..EExtended strand (participates in β ladder)trans-105.9127175.6-57.1177.3000108.7I148 V149 E151 A167 E170 L313 E315 S316 L357 I361I148-L359 HydrophobicContact CG2-CD1 3.79Å; I148-L359 HydrophobicContact CG2-CG 4.08Å; V149-L359 PolarHBondContact O-N 3.45Å; E151-L359 WeakPolarHBondContact CB-O 3.37Å; E151-L359 PolarHBondContact N-O 3.43Å; A167-L359 HydrophobicContact CB-CD1 4.04Å; E170-L359 HydrophobicContact CB-CD1 3.81Å; E170-L359 HydrophobicContact CG-CD1 4.37Å; L313-L359 HydrophobicContact CD1-CB 4.25Å; L313-L359 HydrophobicContact CD1-CD2 4.04Å; E315-L359 WeakPolarHBondContact O-CA 3.5Å; S316-L359 WeakPolarHBondContact OG-CD2 3.32Å; L357-L359 HydrophobicContact CD1-CD2 4.03Å; L357-L359 HydrophobicContact CD2-CD1 4.41Å; L357-L359 HydrophobicContact CD2-CD2 3.93Å; L357-L359 HydrophobicContact CD2-CG 4.22Å; L357-L359 HydrophobicContact CG-CD2 3.84Å; L357-L359 HydrophobicContact CG-CG 4.08Å; L359-I361 HydrophobicContact CB-CD1 4.15Å; L359-I361 HydrophobicContact CB-CG1 4.21Å
360K98.4Very high87.2Confident62 Ų6240.3 Ų40.327%0.2721%0.214SC..EExtended strand (participates in β ladder)trans-104.4120.6169.9-72.7-174-172.4162.40109.1I153 V314 E315I153-K360 HydrophobicContact CG2-CB 3.53Å; I153-K360 HydrophobicContact CG2-CD 3.98Å; I153-K360 HydrophobicContact CG2-CG 3.7Å; V314-K360 HydrophobicContact CB-CB 4.35Å; V314-K360 PolarHBondContact N-O 3.27Å; E315-K360 HydrophobicContact CB-CB 3.84Å; E315-K360 HydrophobicContact CB-CD 3.97Å; E315-K360 HydrophobicContact CB-CG 4.13Å; E315-K360 PolarHBondContact N-O 3.42Å; E315-K360 PolarHBondContact O-N 3.12Å; E315-K360 VanDerWaalsContact OE2-CD 3.31Å; E315-K360 WeakPolarHBondContact OE2-CD 3.41Å; E315-K360 VanDerWaalsContact OE2-CE 3.28Å; E315-K360 WeakPolarHBondContact OE2-CE 3.36Å; E315-K360 IonicContact OE2-NZ 3.94Å; E315-K360 PolarHBondContact OE2-NZ 3.47Å
361I98.5Very high87.8Confident0 Ų041.7 Ų41.70%022%0.217CC..EExtended strand (participates in β ladder)trans-126127.3-166.6-57.4159.5000108.7S150 E151 Q152 I153 T166 Y311 L313 L359 V363S150-I361 WeakPolarHBondContact OG-CD1 3.39Å; E151-I361 PolarHBondContact O-N 2.94Å; Q152-I361 WeakPolarHBondContact CA-O 3.5Å; I153-I361 PolarHBondContact N-O 3.45Å; I153-I361 VanDerWaalsContact N-O 3.09Å; T166-I361 HydrophobicContact CG2-CD1 3.45Å; T166-I361 VanDerWaalsContact CG2-CD1 3.45Å; T166-I361 HydrophobicContact CG2-CG1 3.73Å; T166-I361 HydrophobicContact CG2-CG2 4.06Å; Y311-I361 HydrophobicContact CD2-CG2 4.32Å; Y311-I361 HydrophobicContact CG-CG2 4.49Å; L313-I361 HydrophobicContact CD1-CG1 4.44Å; L359-I361 HydrophobicContact CB-CD1 4.15Å; L359-I361 HydrophobicContact CB-CG1 4.21Å; I361-V363 HydrophobicContact CG2-CG1 4.03Å
362D97.7Very high87.5Confident60 Ų6046.5 Ų46.532%0.32124%0.238SC..EExtended strand (participates in β ladder)trans-93.3119.2162.9-178.5-12.6000107.8Y311 T312 V314 G364Y311-D362 WeakPolarHBondContact CA-O 3.46Å; T312-D362 PolarHBondContact N-O 2.81Å; T312-D362 PolarHBondContact O-N 3.3Å; V314-D362 HydrophobicContact CG2-CB 4.1Å; D362-G364 VanDerWaalsContact C-N 3.32Å; D362-G364 WeakPolarHBondContact OD1-CA 3.42Å; D362-G364 PolarHBondContact OD1-N 3.31Å
363V96.3Very high86.5Confident8 Ų850.5 Ų50.55%0.04825%0.254CS..  trans-91.52.7-177.9-56.70000112.6Q152 D154 N159 I162 V163 W244 I361Q152-V363 HydrophobicContact CG-CG1 4.1Å; Q152-V363 HydrophobicContact CG-CG2 4.03Å; D154-V363 WeakPolarHBondContact OD2-CG2 3.34Å; D154-V363 PolarHBondContact OD2-N 2.9Å; N159-V363 HydrophobicContact CB-CG2 4.25Å; I162-V363 HydrophobicContact CB-CB 4.33Å; I162-V363 HydrophobicContact CB-CG1 4.07Å; I162-V363 HydrophobicContact CD1-CB 4.19Å; I162-V363 HydrophobicContact CG2-CB 3.89Å; I162-V363 HydrophobicContact CG2-CG1 3.6Å; V163-V363 HydrophobicContact CG2-CG1 3.92Å; W244-V363 HydrophobicContact CH2-CG2 3.87Å; W244-V363 HydrophobicContact CZ3-CG2 3.78Å; I361-V363 HydrophobicContact CG2-CG1 4.03Å
364G93.9Very high84.5Confident30 Ų3053.8 Ų53.831%0.30927%0.272SS..  trans75.8-167.1-173.800000112.9D362D362-G364 VanDerWaalsContact C-N 3.32Å; D362-G364 WeakPolarHBondContact OD1-CA 3.42Å; D362-G364 PolarHBondContact OD1-N 3.31Å
365K91.9Very high82Confident169 Ų16959.1 Ų59.174%0.73530%0.302SS*.PPolyproline II helixtrans-89.8143.5-179.6-66.8-177.3-178.9179.60110.8
366P89.1Confident79.2Confident6 Ų663.8 Ų63.84%0.03933%0.332CS..PPolyproline II helixtrans-62.4154.3166.531.4-37.3000110.4W244 F370 I371W244-P366 HydrophobicContact CD2-CB 3.6Å; W244-P366 HydrophobicContact CE3-CB 3.68Å; W244-P366 HydrophobicContact CE3-CG 4.47Å; W244-P366 HydrophobicContact CG-CB 4.09Å; W244-P366 HydrophobicContact CH2-CB 4.26Å; W244-P366 HydrophobicContact CZ2-CB 4.2Å; W244-P366 HydrophobicContact CZ3-CB 4Å; P366-F370 HydrophobicContact CB-CB 3.84Å; P366-I371 HydrophobicContact CG-CD1 4.43Å; P366-I371 HydrophobicContact CG-CG1 3.9Å
367P83.9Confident76.2Confident24 Ų2474 Ų7416%0.15640%0.395CS..PPolyproline II helixtrans-54.1149.9167.9-19.829.5000110.6F48 E369 F370F48-P367 HydrophobicContact CD2-CB 4.06Å; F48-P367 HydrophobicContact CE2-CB 3.69Å; F48-P367 HydrophobicContact CE2-CG 3.73Å; P367-E369 WeakPolarHBondContact CB-OE2 3.28Å; P367-E369 PolarHBondContact O-N 3.24Å; P367-E369 VanDerWaalsContact O-N 3.09Å; P367-F370 HydrophobicContact CB-CD2 3.85Å; P367-F370 HydrophobicContact CB-CE2 4.32Å; P367-F370 HydrophobicContact CG-CD2 3.76Å; P367-F370 HydrophobicContact CG-CE2 3.92Å; P367-F370 WeakPolarHBondContact O-CA 3.32Å; P367-F370 WeakPolarHBondContact O-CB 3.2Å; P367-F370 PolarHBondContact O-N 3.42Å
368V80.7Confident75.2Confident109 Ų10977.7 Ų77.766%0.66142%0.415SS*.G310 helixtrans-59.1-28.5-171.5-67.40000112.7F370 I371V368-F370 PolarHBondContact O-N 3Å; V368-I371 WeakPolarHBondContact O-CB 3.45Å; V368-I371 PolarHBondContact O-N 2.79Å
369E74.9Confident74Confident61 Ų6180.2 Ų80.229%0.28543%0.429SS..G310 helixtrans-72-16.2178.2-54.389.2164.800112.8F48 P367F48-E369 HydrophobicContact CB-CB 4.3Å; F48-E369 HydrophobicContact CB-CG 3.89Å; F48-E369 HydrophobicContact CD2-CB 4.31Å; F48-E369 HydrophobicContact CD2-CG 4.36Å; F48-E369 WeakPolarHBondContact CD2-OE2 3.28Å; F48-E369 HydrophobicContact CG-CB 4.45Å; F48-E369 HydrophobicContact CG-CG 4.46Å; P367-E369 WeakPolarHBondContact CB-OE2 3.28Å; P367-E369 PolarHBondContact O-N 3.24Å; P367-E369 VanDerWaalsContact O-N 3.09Å
370F73.9Confident72.6Confident7 Ų784.7 Ų84.73%0.03145%0.453CS..G310 helixtrans-94.21.5167.4-68.2-94.7000112.2F48 L242 W244 F285 L289 I293 P366 P367 V368F48-F370 HydrophobicContact CD2-CE2 4.4Å; F48-F370 HydrophobicContact CE1-CE2 4.22Å; F48-F370 HydrophobicContact CE2-CD2 4.19Å; F48-F370 AromaticContact CE2-CE2 3.56Å; F48-F370 HydrophobicContact CE2-CE2 3.56Å; F48-F370 HydrophobicContact CZ-CD2 4.47Å; F48-F370 AromaticContact CZ-CE2 3.45Å; F48-F370 HydrophobicContact CZ-CE2 3.45Å; F48-F370 VanDerWaalsContact CZ-CE2 3.45Å; F48-F370 HydrophobicContact CZ-CZ 4.07Å; L242-F370 WeakPolarHBondContact O-CZ 3.49Å; W244-F370 HydrophobicContact CB-CD1 3.64Å; W244-F370 HydrophobicContact CB-CE1 3.9Å; W244-F370 HydrophobicContact CB-CG 4.23Å; W244-F370 AromaticContact CD1-CE1 3.93Å; W244-F370 AromaticContact CD1-CE2 3.89Å; W244-F370 AromaticContact CD1-CZ 3.83Å; W244-F370 HydrophobicContact CG-CD1 4.13Å; W244-F370 HydrophobicContact CG-CE1 4.31Å; W244-F370 HydrophobicContact CG-CG 4.32Å; F285-F370 HydrophobicContact CB-CD1 4.29Å; F285-F370 HydrophobicContact CB-CE1 4.47Å; F285-F370 HydrophobicContact CD1-CB 4.09Å; F285-F370 AromaticContact CD1-CD1 3.4Å; F285-F370 HydrophobicContact CD1-CD1 3.4Å; F285-F370 HydrophobicContact CD1-CE1 4.3Å; F285-F370 HydrophobicContact CD1-CG 4.14Å; F285-F370 HydrophobicContact CD2-CD1 4.22Å; F285-F370 VanDerWaalsContact CE1-C 3.42Å; F285-F370 HydrophobicContact CE1-CB 3.62Å; F285-F370 AromaticContact CE1-CD1 3.83Å; F285-F370 HydrophobicContact CE1-CD1 3.83Å; F285-F370 HydrophobicContact CE1-CG 4.17Å; F285-F370 WeakPolarHBondContact CE1-O 3.39Å; F285-F370 AromaticContact CG-CD1 3.62Å; F285-F370 HydrophobicContact CG-CD1 3.62Å; F285-F370 HydrophobicContact CG-CE1 4.25Å; F285-F370 HydrophobicContact CZ-CB 3.99Å; F285-F370 HydrophobicContact CZ-CD1 4.38Å; F285-F370 WeakPolarHBondContact CZ-O 3.3Å; L289-F370 HydrophobicContact CD1-CZ 4.22Å; L289-F370 HydrophobicContact CD2-CD1 3.68Å; L289-F370 HydrophobicContact CD2-CD2 4.08Å; L289-F370 HydrophobicContact CD2-CE1 3.37Å; L289-F370 HydrophobicContact CD2-CE2 3.83Å; L289-F370 HydrophobicContact CD2-CG 4.03Å; L289-F370 HydrophobicContact CD2-CZ 3.46Å; L289-F370 VanDerWaalsContact CD2-CZ 3.46Å; L289-F370 HydrophobicContact CG-CE1 4.02Å; L289-F370 HydrophobicContact CG-CZ 3.91Å; I293-F370 HydrophobicContact CD1-CZ 3.79Å; P366-F370 HydrophobicContact CB-CB 3.84Å; P367-F370 HydrophobicContact CB-CD2 3.85Å; P367-F370 HydrophobicContact CB-CE2 4.32Å; P367-F370 HydrophobicContact CG-CD2 3.76Å; P367-F370 HydrophobicContact CG-CE2 3.92Å; P367-F370 WeakPolarHBondContact O-CA 3.32Å; P367-F370 WeakPolarHBondContact O-CB 3.2Å; P367-F370 PolarHBondContact O-N 3.42Å; V368-F370 PolarHBondContact O-N 3Å
371I71.6Confident71.1Confident81 Ų8186 Ų8642%0.41546%0.464SS..SBendtrans-93.7112.9170.4-56.8176000104.8P366 V368 E373P366-I371 HydrophobicContact CG-CD1 4.43Å; P366-I371 HydrophobicContact CG-CG1 3.9Å; V368-I371 WeakPolarHBondContact O-CB 3.45Å; V368-I371 PolarHBondContact O-N 2.79Å; I371-E373 PolarHBondContact O-N 3.03Å
372K59.7Low69.4Low155 Ų15591.4 Ų91.467%0.67449%0.493SS*.  trans-59.7109.1165-79.7-172.1177.3-175.20105.9D374K372-D374 PolarHBondContact O-N 3.43Å
373E50.1Low67.5Low153 Ų15393.5 Ų93.572%0.71550%0.504SS*.  trans-61.2110.3155.7-73.4-174.2166.800105I371 N375I371-E373 PolarHBondContact O-N 3.03Å; E373-N375 PolarHBondContact O-N 3.12Å
374D41.1Very low65.4Low150 Ų15099.6 Ų99.680%0.80254%0.537SS*.  trans-57.288.8154.7-75.7-33.5000104.9K372 P376K372-D374 PolarHBondContact O-N 3.43Å; D374-P376 WeakPolarHBondContact O-CD 3.3Å
375N37Very low63.2Low128 Ų128104.9 Ų104.968%0.68455%0.554SS**  trans-69.7105.3163.8-92.2-48.2000105.2E373 T377E373-N375 PolarHBondContact O-N 3.12Å; N375-T377 PolarHBondContact O-N 3.15Å
376P35.7Very low60.9Low106 Ų10699.6 Ų99.669%0.68854%0.539SS*.  trans-74.4123.1172.13.617.9000105.9D374D374-P376 WeakPolarHBondContact O-CD 3.3Å
377T32.5Very low58.3Low215 Ų215108.1 Ų108.1100%1.31959%0.585SS**  trans69.6016945.10000118.4N375N375-T377 PolarHBondContact O-N 3.15Å

Retrieved 377 of 377 residues in 1297.2 ms (Link to these results)

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