A0A5K4F744_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F744, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 86 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
1M51Low66.9Low238 Ų238116 Ų116100%1.17255%0.554SS**  0101.50-73.3170.2161.600108.9N3M1-N3 PolarHBondContact O-N 3.19Å
2R53.4Low67.9Low207 Ų207109.3 Ų109.378%0.78152%0.523SS*.  trans-83.2109178.8-161.2178.9-105.8-168.2-3.1107.5P4R2-P4 WeakPolarHBondContact O-CD 3.21Å
3N57.8Low69Low104 Ų104109.1 Ų109.156%0.55653%0.526SS*.  trans-59.2118.8-178-92.94.3000109.5M1 M5 T6M1-N3 PolarHBondContact O-N 3.19Å; N3-M5 PolarHBondContact O-N 3.4Å; N3-T6 HydrophobicContact CB-CG2 4.16Å; N3-T6 PolarHBondContact O-N 2.83Å; N3-T6 PolarHBondContact O-OG1 3.17Å
4P63.6Low70.1Confident52 Ų52109.4 Ų109.434%0.33853%0.531SS..Hα-helixtrans-62.2-18.8179.124.7-33.6000112.3R2R2-P4 WeakPolarHBondContact O-CD 3.21Å
5M64.3Low70.8Confident108 Ų108104.9 Ų104.953%0.53251%0.508SS..Hα-helixtrans-65.5-43.1172.3-104.6175.2172.200112.5N3 W7 N8 Y9N3-M5 PolarHBondContact O-N 3.4Å; M5-W7 VanDerWaalsContact C-N 3.3Å; M5-W7 PolarHBondContact O-N 3.19Å; M5-N8 PolarHBondContact O-N 2.98Å; M5-Y9 HydrophobicContact CB-CD2 4.48Å; M5-Y9 HydrophobicContact CB-CE2 4.08Å; M5-Y9 HydrophobicContact CG-CE2 4.17Å; M5-Y9 WeakPolarHBondContact O-CD2 3.37Å; M5-Y9 PolarHBondContact O-N 3.32Å
6T71.8Confident71.5Confident73 Ų73103.1 Ų103.145%0.44850%0.5SS..Hα-helixtrans-65.2-37.5-176.254.70000111.4N3 N8 Y9 T10N3-T6 HydrophobicContact CB-CG2 4.16Å; N3-T6 PolarHBondContact O-N 2.83Å; N3-T6 PolarHBondContact O-OG1 3.17Å; T6-N8 PolarHBondContact O-N 3.37Å; T6-Y9 PolarHBondContact O-N 3.4Å; T6-T10 PolarHBondContact O-N 3.19Å; T6-T10 PolarHBondContact O-OG1 3.33Å
7W65.1Low72.2Confident146 Ų146101.6 Ų101.655%0.55349%0.494SS*.Hα-helixtrans-60.7-43.4176.6-122.667.1000112.8M5 Y9 T10 I11M5-W7 VanDerWaalsContact C-N 3.3Å; M5-W7 PolarHBondContact O-N 3.19Å; W7-Y9 VanDerWaalsContact C-N 3.32Å; W7-Y9 PolarHBondContact O-N 3.01Å; W7-T10 PolarHBondContact O-N 3.05Å; W7-I11 HydrophobicContact CE3-CD1 3.57Å; W7-I11 HydrophobicContact CE3-CG1 4.38Å; W7-I11 HydrophobicContact CZ3-CD1 3.83Å; W7-I11 WeakPolarHBondContact O-CG1 3.48Å; W7-I11 PolarHBondContact O-N 3.06Å
8N74.7Confident72.8Confident41 Ų41101.9 Ų101.922%0.21950%0.498CS..Hα-helixtrans-63.2-40.6176.6-70.4-1.9000111.4M5 T6 L12M5-N8 PolarHBondContact O-N 2.98Å; T6-N8 PolarHBondContact O-N 3.37Å; N8-L12 VanDerWaalsContact O-CB 3.31Å; N8-L12 WeakPolarHBondContact O-CB 3.41Å; N8-L12 PolarHBondContact O-N 3.44Å
9Y74.8Confident73.2Confident141 Ų14198.1 Ų98.155%0.55348%0.479SS*.Hα-helixtrans-68-37.8176-66.8-62.4000112.5M5 T6 W7 L12 L13M5-Y9 HydrophobicContact CB-CD2 4.48Å; M5-Y9 HydrophobicContact CB-CE2 4.08Å; M5-Y9 HydrophobicContact CG-CE2 4.17Å; M5-Y9 WeakPolarHBondContact O-CD2 3.37Å; M5-Y9 PolarHBondContact O-N 3.32Å; T6-Y9 PolarHBondContact O-N 3.4Å; W7-Y9 VanDerWaalsContact C-N 3.32Å; W7-Y9 PolarHBondContact O-N 3.01Å; Y9-L12 PolarHBondContact O-N 3.23Å; Y9-L13 VanDerWaalsContact O-CB 3.3Å; Y9-L13 WeakPolarHBondContact O-CB 3.34Å; Y9-L13 PolarHBondContact O-N 3.1Å
10T79.7Confident73.6Confident86 Ų8698.2 Ų98.253%0.52848%0.48SS..Hα-helixtrans-64-43.7176.2-50.50000111.3T6 W7 L12 L13 L14T6-T10 PolarHBondContact O-N 3.19Å; T6-T10 PolarHBondContact O-OG1 3.33Å; W7-T10 PolarHBondContact O-N 3.05Å; T10-L12 VanDerWaalsContact C-N 3.33Å; T10-L13 PolarHBondContact O-N 3.42Å; T10-L14 WeakPolarHBondContact O-CB 3.35Å; T10-L14 PolarHBondContact O-N 3.09Å
11I79.3Confident74.1Confident80 Ų8098.2 Ų98.241%0.4148%0.482SS..Hα-helixtrans-62.3-44.4175.2-66.4162.5000110.3W7 L14 F15W7-I11 HydrophobicContact CE3-CD1 3.57Å; W7-I11 HydrophobicContact CE3-CG1 4.38Å; W7-I11 HydrophobicContact CZ3-CD1 3.83Å; W7-I11 WeakPolarHBondContact O-CG1 3.48Å; W7-I11 PolarHBondContact O-N 3.06Å; I11-L14 PolarHBondContact O-N 3.32Å; I11-F15 WeakPolarHBondContact O-CB 3.33Å; I11-F15 PolarHBondContact O-N 2.74Å
12L78.8Confident75.5Confident35 Ų3591.5 Ų91.518%0.18345%0.446CS..Hα-helixtrans-61.6-45.2178.4-172.475.4000111.6N8 Y9 T10 F15 I16 M61 L64N8-L12 VanDerWaalsContact O-CB 3.31Å; N8-L12 WeakPolarHBondContact O-CB 3.41Å; N8-L12 PolarHBondContact O-N 3.44Å; Y9-L12 PolarHBondContact O-N 3.23Å; T10-L12 VanDerWaalsContact C-N 3.33Å; L12-F15 WeakPolarHBondContact O-CB 3.33Å; L12-F15 PolarHBondContact O-N 3.27Å; L12-I16 HydrophobicContact CG-CD1 4.1Å; L12-I16 VanDerWaalsContact O-CG1 3.29Å; L12-I16 WeakPolarHBondContact O-CG1 3.49Å; L12-I16 PolarHBondContact O-N 3.5Å; L12-M61 HydrophobicContact CD1-CE 3.58Å; L12-M61 HydrophobicContact CD1-SD 3.96Å; L12-M61 HydrophobicContact CD2-CE 4.43Å; L12-M61 HydrophobicContact CG-CE 4.46Å; L12-L64 HydrophobicContact CD1-CD1 3.64Å
13L82.6Confident76.7Confident107 Ų10785.9 Ų85.956%0.5643%0.431SS*.Hα-helixtrans-61.5-48.3177.4-172.393.8000111Y9 T10 F15 I16 I17Y9-L13 VanDerWaalsContact O-CB 3.3Å; Y9-L13 WeakPolarHBondContact O-CB 3.34Å; Y9-L13 PolarHBondContact O-N 3.1Å; T10-L13 PolarHBondContact O-N 3.42Å; L13-F15 PolarHBondContact O-N 3.26Å; L13-I16 PolarHBondContact O-N 2.98Å; L13-I17 HydrophobicContact CD2-CD1 4.08Å; L13-I17 HydrophobicContact CG-CD1 4.02Å; L13-I17 WeakPolarHBondContact O-CG1 3.02Å; L13-I17 PolarHBondContact O-N 3.13Å
14L84.6Confident77.6Confident114 Ų11487.6 Ų87.660%0.59743%0.433SS*.Hα-helixtrans-57.6-42177.7-166.194.7000110.6T10 I11 I17 L18T10-L14 WeakPolarHBondContact O-CB 3.35Å; T10-L14 PolarHBondContact O-N 3.09Å; I11-L14 PolarHBondContact O-N 3.32Å; L14-I17 PolarHBondContact O-N 3.46Å; L14-L18 WeakPolarHBondContact O-CB 3.42Å; L14-L18 PolarHBondContact O-N 2.72Å
15F80.9Confident78.2Confident42 Ų4287.9 Ų87.918%0.18444%0.437CS..Hα-helixtrans-65.2-45177.7-178.6-98.7000112.4I11 L12 L13 I17 L18 Q19 V56 S57 I60I11-F15 WeakPolarHBondContact O-CB 3.33Å; I11-F15 PolarHBondContact O-N 2.74Å; L12-F15 WeakPolarHBondContact O-CB 3.33Å; L12-F15 PolarHBondContact O-N 3.27Å; L13-F15 PolarHBondContact O-N 3.26Å; F15-I17 VanDerWaalsContact C-N 3.31Å; F15-I17 PolarHBondContact O-N 2.91Å; F15-L18 WeakPolarHBondContact O-CB 3.36Å; F15-L18 PolarHBondContact O-N 3.49Å; F15-L18 VanDerWaalsContact O-N 3.16Å; F15-Q19 HydrophobicContact CD1-CG 4.2Å; F15-Q19 HydrophobicContact CE1-CG 3.76Å; F15-Q19 HydrophobicContact CE2-CG 4.43Å; F15-Q19 HydrophobicContact CZ-CG 3.9Å; F15-Q19 WeakPolarHBondContact O-CG 3.32Å; F15-Q19 PolarHBondContact O-N 3.05Å; F15-V56 HydrophobicContact CE2-CG1 4.39Å; F15-V56 HydrophobicContact CZ-CG1 4.17Å; F15-S57 WeakPolarHBondContact CE1-OG 3.29Å; F15-I60 HydrophobicContact CD1-CD1 4.4Å; F15-I60 HydrophobicContact CD2-CD1 3.78Å; F15-I60 HydrophobicContact CE1-CD1 3.91Å; F15-I60 HydrophobicContact CE2-CD1 3.22Å; F15-I60 HydrophobicContact CG-CD1 4.33Å; F15-I60 HydrophobicContact CZ-CD1 3.28Å
16I81.7Confident78.5Confident75 Ų7583.9 Ų83.939%0.38542%0.416SS..Hα-helixtrans-58.7-45.2175.6-69.1164.5000110.5L12 L13 L18 Q19 I20L12-I16 HydrophobicContact CG-CD1 4.1Å; L12-I16 VanDerWaalsContact O-CG1 3.29Å; L12-I16 WeakPolarHBondContact O-CG1 3.49Å; L12-I16 PolarHBondContact O-N 3.5Å; L13-I16 PolarHBondContact O-N 2.98Å; I16-L18 VanDerWaalsContact C-N 3.3Å; I16-L18 PolarHBondContact O-N 2.9Å; I16-Q19 PolarHBondContact O-N 3.24Å; I16-I20 HydrophobicContact CG2-CD1 3.83Å; I16-I20 HydrophobicContact CG2-CG1 4.47Å; I16-I20 VanDerWaalsContact O-CG1 3.3Å; I16-I20 WeakPolarHBondContact O-CG1 3.5Å; I16-I20 PolarHBondContact O-N 3.22Å
17I84Confident78.4Confident79 Ų7985.3 Ų85.341%0.40542%0.422SS..Hα-helixtrans-60.3-42.9177-68.8165.6000110.7L13 L14 F15 Q19 I20 I21L13-I17 HydrophobicContact CD2-CD1 4.08Å; L13-I17 HydrophobicContact CG-CD1 4.02Å; L13-I17 WeakPolarHBondContact O-CG1 3.02Å; L13-I17 PolarHBondContact O-N 3.13Å; L14-I17 PolarHBondContact O-N 3.46Å; F15-I17 VanDerWaalsContact C-N 3.31Å; F15-I17 PolarHBondContact O-N 2.91Å; I17-Q19 VanDerWaalsContact C-N 3.34Å; I17-Q19 PolarHBondContact O-N 3.01Å; I17-I20 PolarHBondContact O-N 3.08Å; I17-I21 HydrophobicContact CG2-CD1 3.8Å; I17-I21 HydrophobicContact CG2-CG1 4.48Å; I17-I21 WeakPolarHBondContact O-CG1 3.34Å; I17-I21 PolarHBondContact O-N 2.97Å
18L82.2Confident78.6Confident106 Ų10682.7 Ų82.756%0.55542%0.417SS*.Hα-helixtrans-63.8-40178.8-140.1122.6000111.7L14 F15 I16 I21 F22L14-L18 WeakPolarHBondContact O-CB 3.42Å; L14-L18 PolarHBondContact O-N 2.72Å; F15-L18 WeakPolarHBondContact O-CB 3.36Å; F15-L18 PolarHBondContact O-N 3.49Å; F15-L18 VanDerWaalsContact O-N 3.16Å; I16-L18 VanDerWaalsContact C-N 3.3Å; I16-L18 PolarHBondContact O-N 2.9Å; L18-I21 PolarHBondContact O-N 3.37Å; L18-F22 WeakPolarHBondContact O-CB 3.47Å; L18-F22 PolarHBondContact O-N 2.9Å
19Q80.2Confident78.2Confident29 Ų2985.9 Ų85.914%0.13643%0.431CS..Hα-helixtrans-65.1-42.7174.5-67.2-59-10.500112.1F15 I16 I17 F22 I23 I53F15-Q19 HydrophobicContact CD1-CG 4.2Å; F15-Q19 HydrophobicContact CE1-CG 3.76Å; F15-Q19 HydrophobicContact CE2-CG 4.43Å; F15-Q19 HydrophobicContact CZ-CG 3.9Å; F15-Q19 WeakPolarHBondContact O-CG 3.32Å; F15-Q19 PolarHBondContact O-N 3.05Å; I16-Q19 PolarHBondContact O-N 3.24Å; I17-Q19 VanDerWaalsContact C-N 3.34Å; I17-Q19 PolarHBondContact O-N 3.01Å; Q19-F22 PolarHBondContact O-N 3.39Å; Q19-I23 WeakPolarHBondContact O-CD1 3.48Å; Q19-I23 VanDerWaalsContact O-CG1 3.22Å; Q19-I23 WeakPolarHBondContact O-CG1 3.48Å; Q19-I23 PolarHBondContact O-N 3.4Å; Q19-I53 HydrophobicContact CG-CG2 4.43Å
20I82.3Confident77.4Confident100 Ų10080.2 Ų80.251%0.51341%0.412SS..Hα-helixtrans-61.6-46.5176.7-67165.4000110.6I16 I17 F22 I23 K24I16-I20 HydrophobicContact CG2-CD1 3.83Å; I16-I20 HydrophobicContact CG2-CG1 4.47Å; I16-I20 VanDerWaalsContact O-CG1 3.3Å; I16-I20 WeakPolarHBondContact O-CG1 3.5Å; I16-I20 PolarHBondContact O-N 3.22Å; I17-I20 PolarHBondContact O-N 3.08Å; I20-F22 VanDerWaalsContact C-N 3.31Å; I20-F22 PolarHBondContact O-N 3.48Å; I20-I23 PolarHBondContact O-N 3.49Å; I20-K24 WeakPolarHBondContact O-CB 3.32Å; I20-K24 PolarHBondContact O-N 3.35Å
21I83.1Confident76.6Confident100 Ų10082.9 Ų82.951%0.51342%0.418SS..Hα-helixtrans-59.1-46.2177-69.1162.6000110I17 L18 K24 S25I17-I21 HydrophobicContact CG2-CD1 3.8Å; I17-I21 HydrophobicContact CG2-CG1 4.48Å; I17-I21 WeakPolarHBondContact O-CG1 3.34Å; I17-I21 PolarHBondContact O-N 2.97Å; L18-I21 PolarHBondContact O-N 3.37Å; I21-K24 PolarHBondContact O-N 3.25Å; I21-S25 WeakPolarHBondContact O-CB 3.49Å; I21-S25 PolarHBondContact O-N 2.94Å; I21-S25 PolarHBondContact O-OG 3.47Å; I21-S25 VanDerWaalsContact O-OG 3.1Å
22F80.4Confident75.6Confident96 Ų9685.2 Ų85.242%0.42143%0.432SS..Hα-helixtrans-66.2-39.7-177.3-170.4-118.9000112.9L18 Q19 I20 S25 Q26 V49 I53L18-F22 WeakPolarHBondContact O-CB 3.47Å; L18-F22 PolarHBondContact O-N 2.9Å; Q19-F22 PolarHBondContact O-N 3.39Å; I20-F22 VanDerWaalsContact C-N 3.31Å; I20-F22 PolarHBondContact O-N 3.48Å; F22-S25 PolarHBondContact O-N 3.22Å; F22-Q26 VanDerWaalsContact CD1-NE2 3.27Å; F22-Q26 WeakPolarHBondContact O-CG 3.46Å; F22-Q26 PolarHBondContact O-N 2.99Å; F22-Q26 VanDerWaalsContact O-N 3.1Å; F22-V49 HydrophobicContact CE1-CG1 3.69Å; F22-V49 HydrophobicContact CZ-CG1 4.06Å; F22-I53 HydrophobicContact CD1-CD1 3.35Å; F22-I53 HydrophobicContact CD1-CG1 3.78Å; F22-I53 HydrophobicContact CE1-CD1 3.57Å; F22-I53 HydrophobicContact CE1-CG1 3.84Å
23I79.1Confident74.4Confident89 Ų8989.5 Ų89.546%0.45645%0.449SS..Hα-helixtrans-61.5-46.8172.6-67.9163.1000110Q19 I20 S25 Q26 D27 I53Q19-I23 WeakPolarHBondContact O-CD1 3.48Å; Q19-I23 VanDerWaalsContact O-CG1 3.22Å; Q19-I23 WeakPolarHBondContact O-CG1 3.48Å; Q19-I23 PolarHBondContact O-N 3.4Å; I20-I23 PolarHBondContact O-N 3.49Å; I23-S25 PolarHBondContact O-N 3.48Å; I23-Q26 WeakPolarHBondContact O-CB 3.37Å; I23-Q26 PolarHBondContact O-N 3.25Å; I23-Q26 VanDerWaalsContact O-N 3.17Å; I23-D27 PolarHBondContact O-N 3.35Å; I23-I53 HydrophobicContact CG1-CD1 4.34Å
24K75.8Confident73Confident141 Ų14188.9 Ų88.961%0.61345%0.453SS*.Hα-helixtrans-62.8-41.6178.2-125.3-174.3-179.7-168.50112.4I20 I21 Q26 D27 I28I20-K24 WeakPolarHBondContact O-CB 3.32Å; I20-K24 PolarHBondContact O-N 3.35Å; I21-K24 PolarHBondContact O-N 3.25Å; K24-Q26 PolarHBondContact O-N 2.95Å; K24-D27 PolarHBondContact O-N 3.17Å; K24-I28 VanDerWaalsContact O-CG1 3.27Å; K24-I28 WeakPolarHBondContact O-CG1 3.35Å; K24-I28 PolarHBondContact O-N 3.07Å
25S77.1Confident71.6Confident58 Ų5892.3 Ų92.341%0.40647%0.466SS..Hα-helixtrans-62-32.4176.2-67.10000112.4I21 F22 I23 Q29I21-S25 WeakPolarHBondContact O-CB 3.49Å; I21-S25 PolarHBondContact O-N 2.94Å; I21-S25 PolarHBondContact O-OG 3.47Å; I21-S25 VanDerWaalsContact O-OG 3.1Å; F22-S25 PolarHBondContact O-N 3.22Å; I23-S25 PolarHBondContact O-N 3.48Å; S25-Q29 PolarHBondContact O-N 2.93Å
26Q70.8Confident70.2Confident23 Ų2394.8 Ų94.811%0.10749%0.489CS..Hα-helixtrans-74.9-40.6173.9-75.1176.544.200112.8F22 I23 K24 I28 Q29 S30F22-Q26 VanDerWaalsContact CD1-NE2 3.27Å; F22-Q26 WeakPolarHBondContact O-CG 3.46Å; F22-Q26 PolarHBondContact O-N 2.99Å; F22-Q26 VanDerWaalsContact O-N 3.1Å; I23-Q26 WeakPolarHBondContact O-CB 3.37Å; I23-Q26 PolarHBondContact O-N 3.25Å; I23-Q26 VanDerWaalsContact O-N 3.17Å; K24-Q26 PolarHBondContact O-N 2.95Å; Q26-I28 VanDerWaalsContact C-N 3.31Å; Q26-I28 PolarHBondContact O-N 3.33Å; Q26-Q29 PolarHBondContact O-N 3.23Å; Q26-S30 WeakPolarHBondContact O-CB 3.22Å; Q26-S30 PolarHBondContact O-N 3.42Å; Q26-S30 PolarHBondContact O-OG 2.78Å
27D69.8Low69Low104 Ų10498.1 Ų98.156%0.55651%0.513SS*.Hα-helixtrans-59.2-45.5177.1-162.550.3000110.5I23 K24 Q29 S30 E31I23-D27 PolarHBondContact O-N 3.35Å; K24-D27 PolarHBondContact O-N 3.17Å; D27-Q29 PolarHBondContact O-N 3.1Å; D27-S30 WeakPolarHBondContact O-CB 3.48Å; D27-S30 PolarHBondContact O-N 3.19Å; D27-S30 VanDerWaalsContact O-N 3.08Å; D27-E31 PolarHBondContact O-N 3.32Å
28I69.2Low67.6Low90 Ų9099.9 Ų99.946%0.46252%0.523SS..Hα-helixtrans-60.6-46.9174.2-63.7163.7000111.4K24 Q26 S30 E31 D32K24-I28 VanDerWaalsContact O-CG1 3.27Å; K24-I28 WeakPolarHBondContact O-CG1 3.35Å; K24-I28 PolarHBondContact O-N 3.07Å; Q26-I28 VanDerWaalsContact C-N 3.31Å; Q26-I28 PolarHBondContact O-N 3.33Å; I28-S30 PolarHBondContact O-N 3.5Å; I28-E31 PolarHBondContact O-N 2.94Å; I28-D32 PolarHBondContact O-N 3.35Å
29Q64.7Low66.3Low109 Ų10999.4 Ų99.451%0.50953%0.528SS..Hα-helixtrans-61.6-29.6176.5-90.3-165.441.600113.1S25 Q26 D27 K33S25-Q29 PolarHBondContact O-N 2.93Å; Q26-Q29 PolarHBondContact O-N 3.23Å; D27-Q29 PolarHBondContact O-N 3.1Å; Q29-K33 WeakPolarHBondContact O-CB 3.27Å; Q29-K33 PolarHBondContact O-N 3.49Å
30S59.1Low65.3Low22 Ų22106.5 Ų106.515%0.15456%0.559CS.*Hα-helixtrans-75.6-42.1178.9-55.40000111Q26 D27 I28 K33 S34 H42 L46Q26-S30 WeakPolarHBondContact O-CB 3.22Å; Q26-S30 PolarHBondContact O-N 3.42Å; Q26-S30 PolarHBondContact O-OG 2.78Å; D27-S30 WeakPolarHBondContact O-CB 3.48Å; D27-S30 PolarHBondContact O-N 3.19Å; D27-S30 VanDerWaalsContact O-N 3.08Å; I28-S30 PolarHBondContact O-N 3.5Å; S30-K33 PolarHBondContact O-N 2.99Å; S30-S34 WeakPolarHBondContact O-CB 3.45Å; S30-S34 PolarHBondContact O-N 3.42Å; S30-H42 PolarHBondContact OG-CE1 3.1Å; S30-L46 WeakPolarHBondContact OG-CD1 3.3Å
31E61.9Low64.1Low141 Ų141104.8 Ų104.866%0.65956%0.556SS**Hα-helixtrans-62.6-48.6176.1-164.5170.9-178.200110.9D27 I28 K33 S34D27-E31 PolarHBondContact O-N 3.32Å; I28-E31 PolarHBondContact O-N 2.94Å; E31-K33 VanDerWaalsContact C-N 3.3Å; E31-K33 PolarHBondContact O-N 3.5Å; E31-S34 PolarHBondContact O-N 2.91Å; E31-S34 PolarHBondContact O-OG 3.42Å
32D58.5Low62.7Low130 Ų130102.9 Ų102.970%0.69554%0.544SS*.Hα-helixtrans-62.8-31.5-179.4-79.4-20.9000113.7I28I28-D32 PolarHBondContact O-N 3.35Å
33K54.5Low62Low124 Ų124103.7 Ų103.754%0.53955%0.553SS.*Hα-helixtrans-97.4-8.6-177.3-71.7179.5-178168.10114.4Q29 S30 E31 Q35 S36Q29-K33 WeakPolarHBondContact O-CB 3.27Å; Q29-K33 PolarHBondContact O-N 3.49Å; S30-K33 PolarHBondContact O-N 2.99Å; E31-K33 VanDerWaalsContact C-N 3.3Å; E31-K33 PolarHBondContact O-N 3.5Å; K33-Q35 PolarHBondContact O-N 3.45Å; K33-S36 PolarHBondContact O-N 2.97Å
34S52.6Low61.6Low94 Ų94105.1 Ų105.166%0.65756%0.561SS**THydrogen-bonded Turntrans-62-13.4-177.265.50000114.5S30 E31S30-S34 WeakPolarHBondContact O-CB 3.45Å; S30-S34 PolarHBondContact O-N 3.42Å; E31-S34 PolarHBondContact O-N 2.91Å; E31-S34 PolarHBondContact O-OG 3.42Å
35Q55.2Low61.6Low186 Ų186105.9 Ų105.987%0.86956%0.562SS**THydrogen-bonded Turntrans-81.5-13176.5-98.4-176.6-7.500115.5K33K33-Q35 PolarHBondContact O-N 3.45Å
36S52.3Low61.5Low94 Ų94105.5 Ų105.566%0.65756%0.555SS**SBendtrans-111.984.9-171.3-178.80000112.3K33 N38K33-S36 PolarHBondContact O-N 2.97Å; S36-N38 PolarHBondContact O-N 3.28Å
37V55.9Low61.8Low146 Ų146106.2 Ų106.289%0.88557%0.568SS**SBendtrans21.557.7149.9-148.50000118
38N54.4Low62.3Low115 Ų115106 Ų10662%0.61557%0.565SS**  trans-162.753.3162.2-147.39.7000112.9S36 K40 S41S36-N38 PolarHBondContact O-N 3.28Å; N38-K40 VanDerWaalsContact C-N 3.3Å; N38-K40 PolarHBondContact O-N 3.46Å; N38-S41 PolarHBondContact O-OG 2.82Å
39S55.3Low62.8Low96 Ų96102.6 Ų102.667%0.67155%0.549SS*.Hα-helixtrans-64-21.3-16855.40000116.1
40K59.2Low63.7Low178 Ų178101.4 Ų101.477%0.77455%0.545SS*.Hα-helixtrans-79.9-37.8-172.9-159.9173.8-176-179.90113.7N38N38-K40 VanDerWaalsContact C-N 3.3Å; N38-K40 PolarHBondContact O-N 3.46Å
41S57.1Low64.8Low65 Ų65106.3 Ų106.346%0.45557%0.569SS.*Hα-helixtrans-77.5-32.7-179.954.60000112.3N38 L44 Y45N38-S41 PolarHBondContact O-OG 2.82Å; S41-L44 PolarHBondContact O-N 2.96Å; S41-Y45 PolarHBondContact O-N 3.41Å
42H54.7Low65.8Low59 Ų59104 Ų10427%0.27356%0.561SS.*Hα-helixtrans-67.9-41.2-179.2-164.6-92.5000112.6S30 L44 Y45 L46S30-H42 PolarHBondContact OG-CE1 3.1Å; H42-L44 VanDerWaalsContact C-N 3.26Å; H42-L44 PolarHBondContact O-N 3.47Å; H42-Y45 PolarHBondContact O-N 3.31Å; H42-Y45 VanDerWaalsContact O-N 3.17Å; H42-L46 PolarHBondContact O-N 3.24Å
43N65.3Low67Low114 Ų11498.7 Ų98.761%0.6153%0.532SS*.Hα-helixtrans-61.6-34.8177.4-73.6-2000112.4G47N43-G47 PolarHBondContact O-N 3.13Å; N43-G47 VanDerWaalsContact O-N 3.13Å
44L70.2Confident68.4Low119 Ų11999.2 Ų99.262%0.62353%0.534SS*.Hα-helixtrans-69.5-43.3175.2-68.8174.8000111.5S41 H42 G47 I48S41-L44 PolarHBondContact O-N 2.96Å; H42-L44 VanDerWaalsContact C-N 3.26Å; H42-L44 PolarHBondContact O-N 3.47Å; L44-G47 PolarHBondContact O-N 3.1Å; L44-I48 WeakPolarHBondContact O-CD1 3.43Å; L44-I48 WeakPolarHBondContact O-CG1 3.33Å; L44-I48 PolarHBondContact O-N 3.06Å
45Y75.8Confident69.8Low157 Ų15797.5 Ų97.562%0.61652%0.523SS*.Hα-helixtrans-60.6-48.4178.6-174-98.8000111.4S41 H42 G47 I48 V49S41-Y45 PolarHBondContact O-N 3.41Å; H42-Y45 PolarHBondContact O-N 3.31Å; H42-Y45 VanDerWaalsContact O-N 3.17Å; Y45-G47 PolarHBondContact O-N 3.42Å; Y45-I48 PolarHBondContact O-N 3.27Å; Y45-V49 HydrophobicContact CD1-CG2 4.2Å; Y45-V49 HydrophobicContact CE1-CG2 3.84Å; Y45-V49 HydrophobicContact CE2-CG2 4.44Å; Y45-V49 WeakPolarHBondContact O-CG2 3.37Å; Y45-V49 PolarHBondContact O-N 2.98Å
46L74.4Confident71.2Confident50 Ų5091.6 Ų91.626%0.26250%0.499SS..Hα-helixtrans-60.7-43.8178.3-167.7119.2000112S30 H42 I48 V49 I50S30-L46 WeakPolarHBondContact OG-CD1 3.3Å; H42-L46 PolarHBondContact O-N 3.24Å; L46-I48 PolarHBondContact O-N 3.25Å; L46-V49 PolarHBondContact O-N 3.2Å; L46-I50 HydrophobicContact CD2-CD1 3.64Å; L46-I50 HydrophobicContact CG-CD1 4.12Å; L46-I50 WeakPolarHBondContact O-CG1 3.42Å; L46-I50 PolarHBondContact O-N 3.34Å; L46-I50 VanDerWaalsContact O-N 3.09Å
47G78Confident72.8Confident37 Ų3788.5 Ų88.538%0.38148%0.477SS..Hα-helixtrans-60.1-42.117600000113.2N43 L44 Y45 L51N43-G47 PolarHBondContact O-N 3.13Å; N43-G47 VanDerWaalsContact O-N 3.13Å; L44-G47 PolarHBondContact O-N 3.1Å; Y45-G47 PolarHBondContact O-N 3.42Å; G47-L51 WeakPolarHBondContact O-CB 3.25Å; G47-L51 PolarHBondContact O-N 2.95Å; G47-L51 VanDerWaalsContact O-N 3.1Å
48I80.1Confident74.1Confident99 Ų9985.8 Ų85.851%0.50846%0.458SS..Hα-helixtrans-63.7-44.8177.9-69.2161.1000110.8L44 Y45 L46 I50 L51 I52L44-I48 WeakPolarHBondContact O-CD1 3.43Å; L44-I48 WeakPolarHBondContact O-CG1 3.33Å; L44-I48 PolarHBondContact O-N 3.06Å; Y45-I48 PolarHBondContact O-N 3.27Å; L46-I48 PolarHBondContact O-N 3.25Å; I48-I50 PolarHBondContact O-N 3.42Å; I48-L51 PolarHBondContact O-N 3.43Å; I48-I52 HydrophobicContact CG2-CD1 3.8Å; I48-I52 HydrophobicContact CG2-CG1 4.45Å; I48-I52 WeakPolarHBondContact O-CG1 3.4Å; I48-I52 PolarHBondContact O-N 3.26Å
49V79.8Confident75.6Confident19 Ų1985.2 Ų85.212%0.11545%0.454CS..Hα-helixtrans-66.9-41-177.3-175.60000111.4F22 Y45 L46 L51 I52 I53F22-V49 HydrophobicContact CE1-CG1 3.69Å; F22-V49 HydrophobicContact CZ-CG1 4.06Å; Y45-V49 HydrophobicContact CD1-CG2 4.2Å; Y45-V49 HydrophobicContact CE1-CG2 3.84Å; Y45-V49 HydrophobicContact CE2-CG2 4.44Å; Y45-V49 WeakPolarHBondContact O-CG2 3.37Å; Y45-V49 PolarHBondContact O-N 2.98Å; L46-V49 PolarHBondContact O-N 3.2Å; V49-L51 VanDerWaalsContact C-N 3.28Å; V49-L51 PolarHBondContact O-N 2.93Å; V49-I52 PolarHBondContact O-N 2.96Å; V49-I53 HydrophobicContact CG1-CD1 4.13Å; V49-I53 WeakPolarHBondContact O-CG1 3.5Å; V49-I53 PolarHBondContact O-N 3.41Å
50I82.8Confident77Confident84 Ų8482.8 Ų82.843%0.43143%0.433SS..Hα-helixtrans-59.5-41.5174.1-66.8166000110.9L46 I48 I52 I53 F54L46-I50 HydrophobicContact CD2-CD1 3.64Å; L46-I50 HydrophobicContact CG-CD1 4.12Å; L46-I50 WeakPolarHBondContact O-CG1 3.42Å; L46-I50 PolarHBondContact O-N 3.34Å; L46-I50 VanDerWaalsContact O-N 3.09Å; I48-I50 PolarHBondContact O-N 3.42Å; I50-I52 PolarHBondContact O-N 2.93Å; I50-I53 WeakPolarHBondContact O-CB 3.44Å; I50-I53 PolarHBondContact O-N 3.49Å; I50-F54 WeakPolarHBondContact O-CB 3.36Å; I50-F54 PolarHBondContact O-N 2.88Å
51L81.9Confident78.1Confident126 Ų12679 Ų7966%0.6642%0.419SS*.Hα-helixtrans-66.3-38.1179.9-159.7137.3000111.9G47 I48 V49 F54 S55G47-L51 WeakPolarHBondContact O-CB 3.25Å; G47-L51 PolarHBondContact O-N 2.95Å; G47-L51 VanDerWaalsContact O-N 3.1Å; I48-L51 PolarHBondContact O-N 3.43Å; V49-L51 VanDerWaalsContact C-N 3.28Å; V49-L51 PolarHBondContact O-N 2.93Å; L51-F54 PolarHBondContact O-N 3.16Å; L51-S55 WeakPolarHBondContact O-CB 3.46Å; L51-S55 PolarHBondContact O-N 3.41Å
52I84.3Confident79.3Confident93 Ų9380.5 Ų80.548%0.47743%0.425SS..Hα-helixtrans-64.9-47.2174.1-66.6166000110.6I48 V49 I50 F54 S55 V56I48-I52 HydrophobicContact CG2-CD1 3.8Å; I48-I52 HydrophobicContact CG2-CG1 4.45Å; I48-I52 WeakPolarHBondContact O-CG1 3.4Å; I48-I52 PolarHBondContact O-N 3.26Å; V49-I52 PolarHBondContact O-N 2.96Å; I50-I52 PolarHBondContact O-N 2.93Å; I52-F54 VanDerWaalsContact C-N 3.31Å; I52-F54 PolarHBondContact O-N 3.47Å; I52-S55 WeakPolarHBondContact O-CB 3.34Å; I52-S55 PolarHBondContact O-N 2.89Å; I52-V56 HydrophobicContact CG2-CG2 4.37Å; I52-V56 WeakPolarHBondContact O-CG2 3.48Å; I52-V56 PolarHBondContact O-N 3.31Å
53I84.1Confident80.7Confident18 Ų1881.9 Ų81.99%0.09243%0.434CS..Hα-helixtrans-55.8-48.2176.4-72.7163.3000111Q19 F22 I23 V49 I50 S55 V56 S57Q19-I53 HydrophobicContact CG-CG2 4.43Å; F22-I53 HydrophobicContact CD1-CD1 3.35Å; F22-I53 HydrophobicContact CD1-CG1 3.78Å; F22-I53 HydrophobicContact CE1-CD1 3.57Å; F22-I53 HydrophobicContact CE1-CG1 3.84Å; I23-I53 HydrophobicContact CG1-CD1 4.34Å; V49-I53 HydrophobicContact CG1-CD1 4.13Å; V49-I53 WeakPolarHBondContact O-CG1 3.5Å; V49-I53 PolarHBondContact O-N 3.41Å; I50-I53 WeakPolarHBondContact O-CB 3.44Å; I50-I53 PolarHBondContact O-N 3.49Å; I53-S55 VanDerWaalsContact C-N 3.33Å; I53-S55 PolarHBondContact O-N 3.38Å; I53-V56 PolarHBondContact O-N 2.89Å; I53-S57 WeakPolarHBondContact O-CB 3.46Å; I53-S57 PolarHBondContact O-N 2.86Å; I53-S57 PolarHBondContact O-OG 2.9Å
54F83.4Confident81.5Confident134 Ų13478 Ų7859%0.58841%0.413SS*.Hα-helixtrans-62-44179.9-176.6-105.2000111.2I50 L51 I52 V56 S57 L58I50-F54 WeakPolarHBondContact O-CB 3.36Å; I50-F54 PolarHBondContact O-N 2.88Å; L51-F54 PolarHBondContact O-N 3.16Å; I52-F54 VanDerWaalsContact C-N 3.31Å; I52-F54 PolarHBondContact O-N 3.47Å; F54-V56 PolarHBondContact O-N 3.48Å; F54-S57 PolarHBondContact O-N 3.2Å; F54-L58 HydrophobicContact CD1-CD1 3.8Å; F54-L58 HydrophobicContact CE1-CD1 3.34Å; F54-L58 HydrophobicContact CE1-CG 4.32Å; F54-L58 HydrophobicContact CZ-CD1 3.78Å; F54-L58 HydrophobicContact CZ-CG 4.37Å; F54-L58 PolarHBondContact O-N 2.89Å
55S82.2Confident82.2Confident59 Ų5974.6 Ų74.641%0.41340%0.402SS..Hα-helixtrans-61.4-44.4176.3-173.10000112.7L51 I52 I53 S57 L58 L59L51-S55 WeakPolarHBondContact O-CB 3.46Å; L51-S55 PolarHBondContact O-N 3.41Å; I52-S55 WeakPolarHBondContact O-CB 3.34Å; I52-S55 PolarHBondContact O-N 2.89Å; I53-S55 VanDerWaalsContact C-N 3.33Å; I53-S55 PolarHBondContact O-N 3.38Å; S55-S57 VanDerWaalsContact C-N 3.34Å; S55-L58 PolarHBondContact O-N 3.5Å; S55-L59 PolarHBondContact O-N 3.21Å; S55-L59 VanDerWaalsContact O-N 3.07Å
56V84.7Confident82.5Confident61 Ų6174.5 Ų74.537%0.3740%0.401SS..Hα-helixtrans-66.1-39.7178.5173.60000110.7F15 I52 I53 F54 L58 L59 I60F15-V56 HydrophobicContact CE2-CG1 4.39Å; F15-V56 HydrophobicContact CZ-CG1 4.17Å; I52-V56 HydrophobicContact CG2-CG2 4.37Å; I52-V56 WeakPolarHBondContact O-CG2 3.48Å; I52-V56 PolarHBondContact O-N 3.31Å; I53-V56 PolarHBondContact O-N 2.89Å; F54-V56 PolarHBondContact O-N 3.48Å; V56-L58 PolarHBondContact O-N 3.45Å; V56-L59 PolarHBondContact O-N 2.92Å; V56-I60 HydrophobicContact CG1-CD1 3.95Å; V56-I60 WeakPolarHBondContact O-CG1 3.3Å; V56-I60 PolarHBondContact O-N 3.29Å; V56-I60 VanDerWaalsContact O-N 3.1Å
57S84.3Confident82.9Confident30 Ų3075.2 Ų75.221%0.2141%0.405CS..Hα-helixtrans-62.8-42.4177.4-58.70000112F15 I53 F54 S55 I60 M61F15-S57 WeakPolarHBondContact CE1-OG 3.29Å; I53-S57 WeakPolarHBondContact O-CB 3.46Å; I53-S57 PolarHBondContact O-N 2.86Å; I53-S57 PolarHBondContact O-OG 2.9Å; F54-S57 PolarHBondContact O-N 3.2Å; S55-S57 VanDerWaalsContact C-N 3.34Å; S57-I60 PolarHBondContact O-N 2.88Å; S57-M61 WeakPolarHBondContact O-CG 3.42Å; S57-M61 PolarHBondContact O-N 3.39Å; S57-M61 VanDerWaalsContact O-N 3.13Å
58L83.9Confident82.9Confident89 Ų8976.6 Ų76.647%0.46641%0.408SS..Hα-helixtrans-62.3-46.1174.4-85.7167000112.3F54 S55 V56 I60 M61 V62F54-L58 HydrophobicContact CD1-CD1 3.8Å; F54-L58 HydrophobicContact CE1-CD1 3.34Å; F54-L58 HydrophobicContact CE1-CG 4.32Å; F54-L58 HydrophobicContact CZ-CD1 3.78Å; F54-L58 HydrophobicContact CZ-CG 4.37Å; F54-L58 PolarHBondContact O-N 2.89Å; S55-L58 PolarHBondContact O-N 3.5Å; V56-L58 PolarHBondContact O-N 3.45Å; L58-I60 VanDerWaalsContact C-N 3.28Å; L58-I60 PolarHBondContact O-N 2.97Å; L58-M61 PolarHBondContact O-N 3.33Å; L58-V62 WeakPolarHBondContact O-CG2 3.28Å; L58-V62 PolarHBondContact O-N 3.29Å
59L85.1Confident82.8Confident102 Ų10278.6 Ų78.653%0.53441%0.413SS..Hα-helixtrans-56.9-43.1177.8-97.4161000111.8S55 V56 V62 I63S55-L59 PolarHBondContact O-N 3.21Å; S55-L59 VanDerWaalsContact O-N 3.07Å; V56-L59 PolarHBondContact O-N 2.92Å; L59-V62 PolarHBondContact O-N 2.94Å; L59-I63 WeakPolarHBondContact O-CD1 3.45Å; L59-I63 VanDerWaalsContact O-CG1 3.25Å; L59-I63 WeakPolarHBondContact O-CG1 3.31Å; L59-I63 PolarHBondContact O-N 2.95Å
60I85.7Confident82.6Confident45 Ų4584.8 Ų84.823%0.23144%0.435CS..Hα-helixtrans-67-40.6179.4-70.6163.1000111.5F15 V56 S57 L58 V62 I63 L64F15-I60 HydrophobicContact CD1-CD1 4.4Å; F15-I60 HydrophobicContact CD2-CD1 3.78Å; F15-I60 HydrophobicContact CE1-CD1 3.91Å; F15-I60 HydrophobicContact CE2-CD1 3.22Å; F15-I60 HydrophobicContact CG-CD1 4.33Å; F15-I60 HydrophobicContact CZ-CD1 3.28Å; V56-I60 HydrophobicContact CG1-CD1 3.95Å; V56-I60 WeakPolarHBondContact O-CG1 3.3Å; V56-I60 PolarHBondContact O-N 3.29Å; V56-I60 VanDerWaalsContact O-N 3.1Å; S57-I60 PolarHBondContact O-N 2.88Å; L58-I60 VanDerWaalsContact C-N 3.28Å; L58-I60 PolarHBondContact O-N 2.97Å; I60-V62 VanDerWaalsContact C-N 3.3Å; I60-V62 PolarHBondContact O-N 2.93Å; I60-I63 PolarHBondContact O-N 2.81Å; I60-L64 HydrophobicContact CG2-CD1 3.89Å; I60-L64 HydrophobicContact CG2-CG 4.3Å; I60-L64 WeakPolarHBondContact O-CB 3.47Å; I60-L64 WeakPolarHBondContact O-CG 3.33Å; I60-L64 PolarHBondContact O-N 3.33Å
61M81.6Confident81.8Confident98 Ų9885.3 Ų85.348%0.48343%0.433SS..Hα-helixtrans-59.2-42.1174.7-72.2-65.4-179.300111.8L12 S57 L58 L64 A65L12-M61 HydrophobicContact CD1-CE 3.58Å; L12-M61 HydrophobicContact CD1-SD 3.96Å; L12-M61 HydrophobicContact CD2-CE 4.43Å; L12-M61 HydrophobicContact CG-CE 4.46Å; S57-M61 WeakPolarHBondContact O-CG 3.42Å; S57-M61 PolarHBondContact O-N 3.39Å; S57-M61 VanDerWaalsContact O-N 3.13Å; L58-M61 PolarHBondContact O-N 3.33Å; M61-L64 PolarHBondContact O-N 3.4Å; M61-A65 VanDerWaalsContact O-CB 3.3Å; M61-A65 WeakPolarHBondContact O-CB 3.35Å; M61-A65 PolarHBondContact O-N 3.11Å
62V83.2Confident81.1Confident97 Ų9788.5 Ų88.559%0.58844%0.437SS*.Hα-helixtrans-65-44176.8174.80000111.3L58 L59 I60 L64 A65 Y66L58-V62 WeakPolarHBondContact O-CG2 3.28Å; L58-V62 PolarHBondContact O-N 3.29Å; L59-V62 PolarHBondContact O-N 2.94Å; I60-V62 VanDerWaalsContact C-N 3.3Å; I60-V62 PolarHBondContact O-N 2.93Å; V62-L64 PolarHBondContact O-N 3.39Å; V62-A65 PolarHBondContact O-N 3.25Å; V62-Y66 WeakPolarHBondContact O-CB 3.31Å; V62-Y66 PolarHBondContact O-N 3.18Å
63I84.4Confident80Confident88 Ų8891.3 Ų91.345%0.45145%0.445SS..Hα-helixtrans-62.7-44.4177.8-67.2162.7000110.8L59 I60 Y66 I67L59-I63 WeakPolarHBondContact O-CD1 3.45Å; L59-I63 VanDerWaalsContact O-CG1 3.25Å; L59-I63 WeakPolarHBondContact O-CG1 3.31Å; L59-I63 PolarHBondContact O-N 2.95Å; I60-I63 PolarHBondContact O-N 2.81Å; I63-Y66 WeakPolarHBondContact O-CB 3.3Å; I63-Y66 PolarHBondContact O-N 3.46Å; I63-I67 HydrophobicContact CG2-CD1 3.83Å; I63-I67 HydrophobicContact CG2-CG1 4.47Å; I63-I67 VanDerWaalsContact O-CG1 3.3Å; I63-I67 WeakPolarHBondContact O-CG1 3.3Å; I63-I67 PolarHBondContact O-N 3.01Å
64L81.3Confident78.8Confident34 Ų3495.1 Ų95.118%0.17846%0.463CS..Hα-helixtrans-65.3-43.1178.3-74.5173.2000111.8L12 I60 M61 V62 Y66 I67 C68L12-L64 HydrophobicContact CD1-CD1 3.64Å; I60-L64 HydrophobicContact CG2-CD1 3.89Å; I60-L64 HydrophobicContact CG2-CG 4.3Å; I60-L64 WeakPolarHBondContact O-CB 3.47Å; I60-L64 WeakPolarHBondContact O-CG 3.33Å; I60-L64 PolarHBondContact O-N 3.33Å; M61-L64 PolarHBondContact O-N 3.4Å; V62-L64 PolarHBondContact O-N 3.39Å; L64-Y66 VanDerWaalsContact C-N 3.32Å; L64-Y66 PolarHBondContact O-N 2.96Å; L64-I67 PolarHBondContact O-N 3.28Å; L64-C68 VanDerWaalsContact O-CB 3.28Å; L64-C68 WeakPolarHBondContact O-CB 3.32Å; L64-C68 PolarHBondContact O-N 3.45Å
65A84.8Confident77.5Confident47 Ų4797.4 Ų97.439%0.38847%0.468SS..Hα-helixtrans-58.8-46.3173.700000110.4M61 V62 I67 C68 F69M61-A65 VanDerWaalsContact O-CB 3.3Å; M61-A65 WeakPolarHBondContact O-CB 3.35Å; M61-A65 PolarHBondContact O-N 3.11Å; V62-A65 PolarHBondContact O-N 3.25Å; A65-I67 PolarHBondContact O-N 2.88Å; A65-C68 WeakPolarHBondContact O-CB 3.39Å; A65-C68 PolarHBondContact O-N 3.08Å; A65-F69 VanDerWaalsContact O-CD2 3.31Å; A65-F69 WeakPolarHBondContact O-CD2 2.94Å; A65-F69 PolarHBondContact O-N 3.21Å
66Y83Confident76.3Confident154 Ų15497.7 Ų97.760%0.60447%0.47SS*.Hα-helixtrans-59.7-47.4177.4-179.3-101.5000112.5V62 I63 L64 C68 F69 R70V62-Y66 WeakPolarHBondContact O-CB 3.31Å; V62-Y66 PolarHBondContact O-N 3.18Å; I63-Y66 WeakPolarHBondContact O-CB 3.3Å; I63-Y66 PolarHBondContact O-N 3.46Å; L64-Y66 VanDerWaalsContact C-N 3.32Å; L64-Y66 PolarHBondContact O-N 2.96Å; Y66-C68 VanDerWaalsContact C-N 3.3Å; Y66-C68 PolarHBondContact O-N 3.09Å; Y66-F69 PolarHBondContact O-N 3.29Å; Y66-R70 WeakPolarHBondContact O-CB 3.45Å; Y66-R70 PolarHBondContact O-N 3.04Å
67I82Confident74.8Confident66 Ų6699.7 Ų99.734%0.33848%0.477SS..Hα-helixtrans-61.7-40.7176.5-67.9167.2000110.7I63 L64 A65 R70 K71I63-I67 HydrophobicContact CG2-CD1 3.83Å; I63-I67 HydrophobicContact CG2-CG1 4.47Å; I63-I67 VanDerWaalsContact O-CG1 3.3Å; I63-I67 WeakPolarHBondContact O-CG1 3.3Å; I63-I67 PolarHBondContact O-N 3.01Å; L64-I67 PolarHBondContact O-N 3.28Å; A65-I67 PolarHBondContact O-N 2.88Å; I67-R70 PolarHBondContact O-N 3.05Å; I67-K71 WeakPolarHBondContact O-CB 3.45Å; I67-K71 PolarHBondContact O-N 3.26Å
68C77.9Confident73.4Confident65 Ų65105.8 Ų105.844%0.43950%0.5SS..Hα-helixtrans-63.2-45.8178-165.70000111.4L64 A65 Y66 R72L64-C68 VanDerWaalsContact O-CB 3.28Å; L64-C68 WeakPolarHBondContact O-CB 3.32Å; L64-C68 PolarHBondContact O-N 3.45Å; A65-C68 WeakPolarHBondContact O-CB 3.39Å; A65-C68 PolarHBondContact O-N 3.08Å; Y66-C68 VanDerWaalsContact C-N 3.3Å; Y66-C68 PolarHBondContact O-N 3.09Å; C68-R72 PolarHBondContact O-N 3.46Å; C68-R72 VanDerWaalsContact O-N 3.08Å
69F77.8Confident72Confident141 Ų141104.5 Ų104.562%0.61850%0.499SS*.Hα-helixtrans-64.3-42.6176-90.7-77.1000112.6A65 Y66 R72 K73A65-F69 VanDerWaalsContact O-CD2 3.31Å; A65-F69 WeakPolarHBondContact O-CD2 2.94Å; A65-F69 PolarHBondContact O-N 3.21Å; Y66-F69 PolarHBondContact O-N 3.29Å; F69-R72 PolarHBondContact O-N 3.26Å; F69-K73 PolarHBondContact O-N 2.93Å; F69-K73 VanDerWaalsContact O-N 3.11Å
70R76.2Confident70.6Confident150 Ų150104.1 Ų104.157%0.56650%0.5SS*.Hα-helixtrans-63.5-47.1177.9-171.7-179.9175.2-177.54111.7Y66 I67 R72 K73 E74Y66-R70 WeakPolarHBondContact O-CB 3.45Å; Y66-R70 PolarHBondContact O-N 3.04Å; I67-R70 PolarHBondContact O-N 3.05Å; R70-R72 PolarHBondContact O-N 3.18Å; R70-K73 PolarHBondContact O-N 3.11Å; R70-K73 VanDerWaalsContact O-N 3.09Å; R70-E74 IonicContact NE-OE1 3.8Å; R70-E74 PolarHBondContact O-N 3.39Å
71K67Low69.1Low94 Ų94105.6 Ų105.641%0.40951%0.511SS..Hα-helixtrans-59.8-34.3175.6-83.6-171.8172.1177.30112.4I67 R75I67-K71 WeakPolarHBondContact O-CB 3.45Å; I67-K71 PolarHBondContact O-N 3.26Å; K71-R75 PolarHBondContact O-N 3.04Å
72R66.3Low67.8Low194 Ų194105.5 Ų105.573%0.73252%0.516SS*.Hα-helixtrans-65.8-40.9175.2-165.1176.7-179.1-176.80111.6C68 F69 R70 R75 S76C68-R72 PolarHBondContact O-N 3.46Å; C68-R72 VanDerWaalsContact O-N 3.08Å; F69-R72 PolarHBondContact O-N 3.26Å; R70-R72 PolarHBondContact O-N 3.18Å; R72-R75 PolarHBondContact O-N 3.37Å; R72-S76 PolarHBondContact O-N 3.02Å
73K61.7Low66.6Low151 Ų151107.1 Ų107.166%0.65752%0.52SS*.Hα-helixtrans-65.3-40.5175.2-75.6-168.8173.6-172.50112.9F69 R70 R75 S76 I77F69-K73 PolarHBondContact O-N 2.93Å; F69-K73 VanDerWaalsContact O-N 3.11Å; R70-K73 PolarHBondContact O-N 3.11Å; R70-K73 VanDerWaalsContact O-N 3.09Å; K73-R75 PolarHBondContact O-N 3.4Å; K73-S76 PolarHBondContact O-N 3.11Å; K73-S76 VanDerWaalsContact O-N 3.11Å; K73-S76 PolarHBondContact O-OG 3.11Å; K73-I77 WeakPolarHBondContact O-CG1 3.38Å; K73-I77 PolarHBondContact O-N 3.31Å
74E58.6Low65.3Low99 Ų99110.9 Ų110.946%0.46354%0.536SS..Hα-helixtrans-60.8-33.1177.8-74.8178179.100112.7R70 K78R70-E74 IonicContact NE-OE1 3.8Å; R70-E74 PolarHBondContact O-N 3.39Å; E74-K78 PolarHBondContact O-N 3.38Å; E74-K78 VanDerWaalsContact O-N 3.11Å
75R55.3Low64.2Low181 Ų181113.5 Ų113.568%0.68356%0.563SS**Hα-helixtrans-70-37.8174.4-70.8-173.2-177.8-172.5-0.7112.9K71 R72 K73 S79K71-R75 PolarHBondContact O-N 3.04Å; R72-R75 PolarHBondContact O-N 3.37Å; K73-R75 PolarHBondContact O-N 3.4Å; R75-S79 PolarHBondContact O-N 2.89Å; R75-S79 PolarHBondContact O-OG 3.26Å
76S56.6Low62.6Low65 Ų65122.1 Ų122.146%0.45560%0.597SS.*Hα-helixtrans-71.6-33178.380.60000112.1R72 K73 S79 V80R72-S76 PolarHBondContact O-N 3.02Å; K73-S76 PolarHBondContact O-N 3.11Å; K73-S76 VanDerWaalsContact O-N 3.11Å; K73-S76 PolarHBondContact O-OG 3.11Å; S76-S79 PolarHBondContact O-OG 3.36Å; S76-V80 WeakPolarHBondContact O-CG2 3.41Å; S76-V80 PolarHBondContact O-N 3.32Å
77I54.5Low61.6Low103 Ų103120.5 Ų120.553%0.52860%0.597SS.*Hα-helixtrans-71.2-42.6176.9-62.1166.9000110.4K73 S79 V80 T81K73-I77 WeakPolarHBondContact O-CG1 3.38Å; K73-I77 PolarHBondContact O-N 3.31Å; I77-S79 VanDerWaalsContact C-N 3.27Å; I77-S79 PolarHBondContact O-N 2.85Å; I77-V80 PolarHBondContact O-N 3.34Å; I77-V80 VanDerWaalsContact O-N 3.11Å; I77-T81 PolarHBondContact O-N 3.08Å; I77-T81 VanDerWaalsContact O-N 3.08Å; I77-T81 PolarHBondContact O-OG1 3.19Å
78K53.6Low60.5Low158 Ų158123.4 Ų123.469%0.68761%0.611SS**Hα-helixtrans-59.9-35.4176.2-85.3-169.6174.7-1730113.2E74 T81 V82E74-K78 PolarHBondContact O-N 3.38Å; E74-K78 VanDerWaalsContact O-N 3.11Å; K78-T81 PolarHBondContact O-OG1 3.3Å; K78-T81 VanDerWaalsContact O-OG1 3.11Å; K78-V82 VanDerWaalsContact O-CG2 3.27Å; K78-V82 WeakPolarHBondContact O-CG2 3.36Å; K78-V82 PolarHBondContact O-N 3.4Å
79S54.8Low59.6Low63 Ų63126.6 Ų126.644%0.44162%0.62SS.*Hα-helixtrans-70.5-33.9175.850.40000112.9R75 S76 I77 I83R75-S79 PolarHBondContact O-N 2.89Å; R75-S79 PolarHBondContact O-OG 3.26Å; S76-S79 PolarHBondContact O-OG 3.36Å; I77-S79 VanDerWaalsContact C-N 3.27Å; I77-S79 PolarHBondContact O-N 2.85Å; S79-I83 WeakPolarHBondContact O-CG1 3.38Å; S79-I83 PolarHBondContact O-N 3.34Å
80V55.7Low58.5Low94 Ų94125.8 Ų125.857%0.5762%0.62SS**Hα-helixtrans-70.6-42.6178.8175.70000110.8S76 I77 V82 I83 E84S76-V80 WeakPolarHBondContact O-CG2 3.41Å; S76-V80 PolarHBondContact O-N 3.32Å; I77-V80 PolarHBondContact O-N 3.34Å; I77-V80 VanDerWaalsContact O-N 3.11Å; V80-V82 VanDerWaalsContact C-N 3.3Å; V80-V82 PolarHBondContact O-N 3.4Å; V80-I83 PolarHBondContact O-N 3.11Å; V80-E84 PolarHBondContact O-N 3.27Å
81T54.3Low57.4Low75 Ų75124.3 Ų124.346%0.4662%0.624SS.*Hα-helixtrans-67.7-28.4179.353.30000113.6I77 K78 I83 A85I77-T81 PolarHBondContact O-N 3.08Å; I77-T81 VanDerWaalsContact O-N 3.08Å; I77-T81 PolarHBondContact O-OG1 3.19Å; K78-T81 PolarHBondContact O-OG1 3.3Å; K78-T81 VanDerWaalsContact O-OG1 3.11Å; T81-I83 VanDerWaalsContact C-N 3.35Å; T81-A85 WeakPolarHBondContact O-CB 3.27Å; T81-A85 PolarHBondContact O-N 3.2Å
82V55.9Low56.7Low97 Ų97126.3 Ų126.359%0.58864%0.638SS**Hα-helixtrans-74-29.8176.2173.80000111.3K78 V80K78-V82 VanDerWaalsContact O-CG2 3.27Å; K78-V82 WeakPolarHBondContact O-CG2 3.36Å; K78-V82 PolarHBondContact O-N 3.4Å; V80-V82 VanDerWaalsContact C-N 3.3Å; V80-V82 PolarHBondContact O-N 3.4Å
83I57.3Low56.1Low130 Ų130121.4 Ų121.467%0.66763%0.631SS**Hα-helixtrans-74.3-33.3175.8-64.7168.6000111.1S79 V80 T81 A85S79-I83 WeakPolarHBondContact O-CG1 3.38Å; S79-I83 PolarHBondContact O-N 3.34Å; V80-I83 PolarHBondContact O-N 3.11Å; T81-I83 VanDerWaalsContact C-N 3.35Å; I83-A85 VanDerWaalsContact C-N 3.33Å
84E56.1Low55.6Low167 Ų167119.2 Ų119.278%0.7863%0.629SS**Hα-helixtrans-78.3-18178.2-142.1-177.8-169.100113.4V80V80-E84 PolarHBondContact O-N 3.27Å
85A58.1Low55.4Low90 Ų90120.8 Ų120.874%0.74464%0.643SS**THydrogen-bonded Turntrans-92.70.1178.300000114T81 I83T81-A85 WeakPolarHBondContact O-CB 3.27Å; T81-A85 PolarHBondContact O-N 3.2Å; I83-A85 VanDerWaalsContact C-N 3.33Å
86M52.4Low55.4Low227 Ų227115.4 Ų115.4100%1.11864%0.64SS**  trans-1040173.3-113.9-177.8171.200110

Retrieved 86 of 86 residues in 44.3 ms (Link to these results)