A0A077ZKZ5_TRITR Loading...

Dimer Tnp hAT domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKZ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 109 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
1M81.4Confident82.4Confident189 Ų189109.2 Ų109.293%0.93151%0.514SS*.  0-75.20-144.9175.6-72.500113.1H3 E4 D5M1-H3 PolarHBondContact O-N 2.86Å; M1-E4 VanDerWaalsContact CA-OE2 3.23Å; M1-E4 WeakPolarHBondContact CA-OE2 3.35Å; M1-E4 PolarHBondContact N-OE2 3.24Å; M1-E4 PolarHBondContact O-N 2.61Å; M1-D5 WeakPolarHBondContact O-CB 3.36Å; M1-D5 PolarHBondContact O-N 3.09Å
2L84.7Confident82.2Confident118 Ų118105.9 Ų105.962%0.61850%0.503SS*.Hα-helixtrans-61.1-42.1-177.7-175.965.7000113.3D5 M6L2-D5 PolarHBondContact O-N 3.31Å; L2-M6 HydrophobicContact CD1-CE 3.99Å; L2-M6 HydrophobicContact CG-CE 4.5Å; L2-M6 HydrophobicContact CG-CG 4.46Å; L2-M6 VanDerWaalsContact O-CG 3.26Å; L2-M6 WeakPolarHBondContact O-CG 3.41Å; L2-M6 PolarHBondContact O-N 3.18Å
3H83.6Confident81.9Confident142 Ų142102.5 Ų102.566%0.65749%0.488SS*.Hα-helixtrans-60.7-47.7178178.2-87000112.1M1 D5 M6 C7M1-H3 PolarHBondContact O-N 2.86Å; H3-D5 VanDerWaalsContact C-N 3.34Å; H3-D5 PolarHBondContact O-N 3.37Å; H3-M6 PolarHBondContact O-N 3.3Å; H3-C7 PolarHBondContact CE1-SG 3.14Å; H3-C7 PolarHBondContact O-N 3.29Å; H3-C7 PolarHBondContact O-SG 3.14Å; H3-C7 VanDerWaalsContact O-SG 3.34Å
4E86.7Confident81.5Confident129 Ų129101.7 Ų101.760%0.60350%0.499SS*.Hα-helixtrans-62.3-42.7178.6-66.6150.7155.300111.3M1 M6 C7 E8M1-E4 VanDerWaalsContact CA-OE2 3.23Å; M1-E4 WeakPolarHBondContact CA-OE2 3.35Å; M1-E4 PolarHBondContact N-OE2 3.24Å; M1-E4 PolarHBondContact O-N 2.61Å; E4-M6 VanDerWaalsContact C-N 3.33Å; E4-M6 PolarHBondContact O-N 3.34Å; E4-C7 PolarHBondContact O-N 3.06Å; E4-E8 WeakPolarHBondContact O-CB 3.46Å; E4-E8 PolarHBondContact O-N 3.16Å
5D84.1Confident81.6Confident67 Ų67100.3 Ų100.336%0.35850%0.503SS..Hα-helixtrans-63.3-36.4175.1177.855.6000111.7M1 L2 H3 R9M1-D5 WeakPolarHBondContact O-CB 3.36Å; M1-D5 PolarHBondContact O-N 3.09Å; L2-D5 PolarHBondContact O-N 3.31Å; H3-D5 VanDerWaalsContact C-N 3.34Å; H3-D5 PolarHBondContact O-N 3.37Å; D5-R9 WeakPolarHBondContact O-CB 3.37Å; D5-R9 WeakPolarHBondContact O-CG 3.37Å; D5-R9 PolarHBondContact O-N 3.36Å; D5-R9 PolarHBondContact O-NE 2.62Å; D5-R9 IonicContact OD1-CZ 2.77Å; D5-R9 IonicContact OD1-NE 3.18Å; D5-R9 IonicContact OD2-CZ 3.58Å; D5-R9 IonicContact OD2-NE 3.43Å; D5-R9 PolarHBondContact OD2-NE 3.19Å; D5-R9 IonicContact OD2-NH1 2.81Å; D5-R9 PolarHBondContact OD2-NH1 3.42Å; D5-R9 IonicContact OD2-NH2 3.42Å; D5-R9 PolarHBondContact OD2-NH2 3.19Å
6M81.7Confident81.6Confident68 Ų6898.4 Ų98.434%0.33549%0.493SS..Hα-helixtrans-68-46.1170.9-68.8-66.9-178.300111.8L2 H3 E4 E8 R9 Y10L2-M6 HydrophobicContact CD1-CE 3.99Å; L2-M6 HydrophobicContact CG-CE 4.5Å; L2-M6 HydrophobicContact CG-CG 4.46Å; L2-M6 VanDerWaalsContact O-CG 3.26Å; L2-M6 WeakPolarHBondContact O-CG 3.41Å; L2-M6 PolarHBondContact O-N 3.18Å; H3-M6 PolarHBondContact O-N 3.3Å; E4-M6 VanDerWaalsContact C-N 3.33Å; E4-M6 PolarHBondContact O-N 3.34Å; M6-E8 VanDerWaalsContact C-N 3.33Å; M6-E8 PolarHBondContact O-N 2.73Å; M6-R9 PolarHBondContact O-N 2.96Å; M6-R9 PolarHBondContact SD-NH2 3.38Å; M6-Y10 HydrophobicContact CB-CD2 4.38Å; M6-Y10 WeakPolarHBondContact O-CD2 3.29Å; M6-Y10 PolarHBondContact O-N 3.23Å; M6-Y10 HydrophobicContact SD-CD2 4.31Å; M6-Y10 HydrophobicContact SD-CE2 3.6Å
7C83.9Confident81.7Confident64 Ų6499.9 Ų99.943%0.43251%0.509SS..Hα-helixtrans-62.1-38.9178.4-70.60000112.6H3 E4 R11H3-C7 PolarHBondContact CE1-SG 3.14Å; H3-C7 PolarHBondContact O-N 3.29Å; H3-C7 PolarHBondContact O-SG 3.14Å; H3-C7 VanDerWaalsContact O-SG 3.34Å; E4-C7 PolarHBondContact O-N 3.06Å; C7-R11 WeakPolarHBondContact O-CA 3.33Å; C7-R11 PolarHBondContact O-N 3.41Å
8E83.2Confident81.9Confident129 Ų12997.7 Ų97.760%0.60350%0.498SS*.Hα-helixtrans-67.2-47.1174.3-175.4171.9-163.800111E4 M6 Y10 R11E4-E8 WeakPolarHBondContact O-CB 3.46Å; E4-E8 PolarHBondContact O-N 3.16Å; M6-E8 VanDerWaalsContact C-N 3.33Å; M6-E8 PolarHBondContact O-N 2.73Å; E8-Y10 VanDerWaalsContact C-N 3.3Å; E8-Y10 PolarHBondContact O-N 3.13Å; E8-R11 WeakPolarHBondContact O-CB 3.45Å; E8-R11 PolarHBondContact O-N 3.33Å
9R76.3Confident82.1Confident82 Ų8295.2 Ų95.231%0.30949%0.49SS..Hα-helixtrans-65.7-28.7-178.6-76.8-177.7-62.5-175.5-7.6114.5D5 M6 R92D5-R9 WeakPolarHBondContact O-CB 3.37Å; D5-R9 WeakPolarHBondContact O-CG 3.37Å; D5-R9 PolarHBondContact O-N 3.36Å; D5-R9 PolarHBondContact O-NE 2.62Å; D5-R9 IonicContact OD1-CZ 2.77Å; D5-R9 IonicContact OD1-NE 3.18Å; D5-R9 IonicContact OD2-CZ 3.58Å; D5-R9 IonicContact OD2-NE 3.43Å; D5-R9 PolarHBondContact OD2-NE 3.19Å; D5-R9 IonicContact OD2-NH1 2.81Å; D5-R9 PolarHBondContact OD2-NH1 3.42Å; D5-R9 IonicContact OD2-NH2 3.42Å; D5-R9 PolarHBondContact OD2-NH2 3.19Å; M6-R9 PolarHBondContact O-N 2.96Å; M6-R9 PolarHBondContact SD-NH2 3.38Å; R9-R92 PolarHBondContact O-NH1 3.48Å
10Y78.1Confident82.5Confident56 Ų5696.4 Ų96.422%0.2250%0.497CS..THydrogen-bonded Turntrans-112.221.2178.7-60.1-65.7000112.7M6 E8 D12 I13 S14 L89M6-Y10 HydrophobicContact CB-CD2 4.38Å; M6-Y10 WeakPolarHBondContact O-CD2 3.29Å; M6-Y10 PolarHBondContact O-N 3.23Å; M6-Y10 HydrophobicContact SD-CD2 4.31Å; M6-Y10 HydrophobicContact SD-CE2 3.6Å; E8-Y10 VanDerWaalsContact C-N 3.3Å; E8-Y10 PolarHBondContact O-N 3.13Å; Y10-D12 PolarHBondContact O-N 3.47Å; Y10-I13 HydrophobicContact CD1-CD1 3.78Å; Y10-I13 HydrophobicContact CD1-CG1 4.49Å; Y10-I13 HydrophobicContact CE1-CD1 4.37Å; Y10-I13 PolarHBondContact O-N 2.88Å; Y10-I13 VanDerWaalsContact O-N 3.11Å; Y10-S14 WeakPolarHBondContact O-CB 3.3Å; Y10-S14 PolarHBondContact O-N 3.41Å; Y10-S14 PolarHBondContact O-OG 3.45Å; Y10-L89 WeakPolarHBondContact OH-CD2 3.45Å; Y10-L89 WeakPolarHBondContact OH-CG 3.49Å
11R83.2Confident82.8Confident157 Ų15792.3 Ų92.359%0.59248%0.476SS*.Hα-helixtrans-53.6-44.7179.9-172.6-171.9-59-109.30.4110.5C7 E8 S14 S15C7-R11 WeakPolarHBondContact O-CA 3.33Å; C7-R11 PolarHBondContact O-N 3.41Å; E8-R11 WeakPolarHBondContact O-CB 3.45Å; E8-R11 PolarHBondContact O-N 3.33Å; R11-S14 VanDerWaalsContact CA-OG 3.3Å; R11-S14 WeakPolarHBondContact CA-OG 3.27Å; R11-S14 CarbonylContact O-C 3.59Å; R11-S14 PolarHBondContact O-N 2.92Å; R11-S14 PolarHBondContact O-OG 3.02Å; R11-S15 VanDerWaalsContact O-CB 3.27Å; R11-S15 WeakPolarHBondContact O-CB 3.42Å; R11-S15 PolarHBondContact O-N 3.38Å; R11-S15 PolarHBondContact O-OG 2.92Å
12D80Confident83.3Confident70 Ų7083.4 Ų83.437%0.37443%0.432SS..Hα-helixtrans-57.5-46.5176.951.3-14000113.3Y10 S15 M16 R92Y10-D12 PolarHBondContact O-N 3.47Å; D12-S15 PolarHBondContact O-OG 3.5Å; D12-M16 PolarHBondContact O-N 2.97Å; D12-R92 IonicContact OD1-NH1 3.76Å; D12-R92 PolarHBondContact OD1-NH1 3.28Å; D12-R92 IonicContact OD2-CZ 3.28Å; D12-R92 IonicContact OD2-NH1 3.62Å; D12-R92 PolarHBondContact OD2-NH1 2.96Å; D12-R92 IonicContact OD2-NH2 3.69Å; D12-R92 PolarHBondContact OD2-NH2 2.98Å
13I78Confident83.6Confident61 Ų6181.1 Ų81.131%0.31342%0.42SS..Hα-helixtrans-68.7-40.8175.9-57.6-175.5000110.7Y10 S15 M16Y10-I13 HydrophobicContact CD1-CD1 3.78Å; Y10-I13 HydrophobicContact CD1-CG1 4.49Å; Y10-I13 HydrophobicContact CE1-CD1 4.37Å; Y10-I13 PolarHBondContact O-N 2.88Å; Y10-I13 VanDerWaalsContact O-N 3.11Å; I13-S15 VanDerWaalsContact C-N 3.35Å; I13-M16 HydrophobicContact CG2-CE 4.1Å; I13-M16 WeakPolarHBondContact O-CB 3.32Å; I13-M16 PolarHBondContact O-N 3.27Å
14S75.9Confident83.9Confident92 Ų9276.6 Ų76.664%0.64340%0.401SS*.Hα-helixtrans-70.5-30.2-179.172.50000113.1Y10 R11 M16Y10-S14 WeakPolarHBondContact O-CB 3.3Å; Y10-S14 PolarHBondContact O-N 3.41Å; Y10-S14 PolarHBondContact O-OG 3.45Å; R11-S14 VanDerWaalsContact CA-OG 3.3Å; R11-S14 WeakPolarHBondContact CA-OG 3.27Å; R11-S14 CarbonylContact O-C 3.59Å; R11-S14 PolarHBondContact O-N 2.92Å; R11-S14 PolarHBondContact O-OG 3.02Å; S14-M16 VanDerWaalsContact C-N 3.31Å
15S82.6Confident84.1Confident80 Ų8070.5 Ų70.556%0.55937%0.372SS*.THydrogen-bonded Turntrans-89.11.6176.365.10000112.8R11 D12 I13 T17R11-S15 VanDerWaalsContact O-CB 3.27Å; R11-S15 WeakPolarHBondContact O-CB 3.42Å; R11-S15 PolarHBondContact O-N 3.38Å; R11-S15 PolarHBondContact O-OG 2.92Å; D12-S15 PolarHBondContact O-OG 3.5Å; I13-S15 VanDerWaalsContact C-N 3.35Å; S15-T17 PolarHBondContact O-N 3.23Å
16M81.9Confident84.4Confident70 Ų7069.4 Ų69.435%0.34536%0.364SS..  trans-74113.1-177.8-177.1165.850.100109.9D12 I13 S14 F80D12-M16 PolarHBondContact O-N 2.97Å; I13-M16 HydrophobicContact CG2-CE 4.1Å; I13-M16 WeakPolarHBondContact O-CB 3.32Å; I13-M16 PolarHBondContact O-N 3.27Å; S14-M16 VanDerWaalsContact C-N 3.31Å; M16-F80 HydrophobicContact CE-CD1 4.12Å; M16-F80 HydrophobicContact CG-CD1 3.84Å; M16-F80 HydrophobicContact CG-CE1 3.5Å; M16-F80 VanDerWaalsContact CG-CE1 3.5Å; M16-F80 HydrophobicContact SD-CD1 3.46Å; M16-F80 WeakPolarHBondContact SD-CD1 3.07Å; M16-F80 HydrophobicContact SD-CE1 3.61Å
17T84Confident84.5Confident124 Ų12471 Ų7176%0.76138%0.378SS*.PPolyproline II helixtrans-81.8119.3172.5-51.40000109.4S15S15-T17 PolarHBondContact O-N 3.23Å
18I84.7Confident83.8Confident61 Ų6171.3 Ų71.331%0.31338%0.38SS..PPolyproline II helixtrans-88.9127171.6-52.3-179.3000107.1V22 L23 F80I18-V22 HydrophobicContact CG2-CB 3.86Å; I18-V22 HydrophobicContact CG2-CG1 4.04Å; I18-L23 HydrophobicContact CG2-CD2 4.1Å; I18-L23 HydrophobicContact CG2-CG 4.07Å; I18-F80 HydrophobicContact CB-CD1 4.43Å; I18-F80 HydrophobicContact CB-CE1 4.44Å; I18-F80 HydrophobicContact CD1-CD1 4.33Å; I18-F80 HydrophobicContact CG1-CD1 3.69Å; I18-F80 HydrophobicContact CG1-CE1 3.99Å; I18-F80 HydrophobicContact CG1-CG 4.36Å; I18-F80 HydrophobicContact CG2-CD1 4.45Å; I18-F80 HydrophobicContact CG2-CG 4.45Å
19S86.6Confident83.2Confident50 Ų5067.7 Ų67.735%0.3536%0.364SS..PPolyproline II helixtrans-66.7141.2173.7-52.70000110.8W21 V22S19-W21 PolarHBondContact O-N 2.99Å; S19-W21 VanDerWaalsContact O-N 3.17Å; S19-V22 WeakPolarHBondContact O-CB 3.47Å; S19-V22 PolarHBondContact O-N 3.08Å
20D88.8Confident82.9Confident118 Ų11868 Ų6863%0.63138%0.384SS*.Hα-helixtrans-55.7-37.9-177.2-68.9-22.9000112.9V22 L23 D24D20-V22 PolarHBondContact O-N 2.92Å; D20-V22 VanDerWaalsContact O-N 3.17Å; D20-L23 WeakPolarHBondContact O-CB 3.41Å; D20-L23 PolarHBondContact O-N 3.41Å; D20-D24 PolarHBondContact O-N 2.94Å
21W90.2Very high82.7Confident12 Ų1274.1 Ų74.15%0.04542%0.415CS..Hα-helixtrans-64-20.4178.169.6-98.5000113.7S19 D24 P25 V32 L40 W61 L73 V76S19-W21 PolarHBondContact O-N 2.99Å; S19-W21 VanDerWaalsContact O-N 3.17Å; W21-D24 CarbonylContact O-C 3.43Å; W21-P25 WeakPolarHBondContact O-CA 3.32Å; W21-P25 WeakPolarHBondContact O-CB 3.36Å; W21-P25 VanDerWaalsContact O-CD 3.29Å; W21-P25 WeakPolarHBondContact O-CD 3.29Å; W21-V32 HydrophobicContact CB-CG2 4.37Å; W21-V32 HydrophobicContact CG-CG2 4.16Å; W21-L40 HydrophobicContact CB-CD2 3.86Å; W21-L40 HydrophobicContact CD2-CD2 4.4Å; W21-L40 HydrophobicContact CE3-CD1 4.32Å; W21-L40 HydrophobicContact CG-CD2 4.1Å; W21-W61 HydrophobicContact CE3-CH2 4.23Å; W21-W61 HydrophobicContact CE3-CZ2 4.1Å; W21-W61 AromaticContact CZ3-CH2 3.78Å; W21-W61 HydrophobicContact CZ3-CH2 3.78Å; W21-W61 AromaticContact CZ3-CZ2 3.91Å; W21-W61 HydrophobicContact CZ3-CZ2 3.91Å; W21-L73 HydrophobicContact CE3-CD2 4.16Å; W21-L73 HydrophobicContact CH2-CB 4.35Å; W21-L73 HydrophobicContact CH2-CD2 3.67Å; W21-L73 HydrophobicContact CZ2-CD2 4.41Å; W21-L73 HydrophobicContact CZ3-CB 4.03Å; W21-L73 HydrophobicContact CZ3-CD2 3.57Å; W21-L73 HydrophobicContact CZ3-CG 4.31Å; W21-V76 HydrophobicContact CH2-CB 3.73Å; W21-V76 HydrophobicContact CH2-CG1 3.75Å; W21-V76 HydrophobicContact CH2-CG2 4.29Å; W21-V76 HydrophobicContact CZ2-CB 4.08Å; W21-V76 HydrophobicContact CZ2-CG1 3.67Å; W21-V76 HydrophobicContact CZ2-CG2 4.42Å
22V91Very high82.7Confident1 Ų167.1 Ų67.11%0.00639%0.39CS..Hα-helixtrans-74.8-34.1173.4179.10000110.3I18 S19 D20 W61 V76 A77 F80I18-V22 HydrophobicContact CG2-CB 3.86Å; I18-V22 HydrophobicContact CG2-CG1 4.04Å; S19-V22 WeakPolarHBondContact O-CB 3.47Å; S19-V22 PolarHBondContact O-N 3.08Å; D20-V22 PolarHBondContact O-N 2.92Å; D20-V22 VanDerWaalsContact O-N 3.17Å; V22-W61 PolarHBondContact O-NE1 2.7Å; V22-V76 HydrophobicContact CG2-CG1 4.38Å; V22-A77 HydrophobicContact CG1-CB 4.15Å; V22-F80 HydrophobicContact CG1-CD2 4.23Å; V22-F80 HydrophobicContact CG2-CE2 4.41Å
23L90.5Very high83.1Confident71 Ų7169.9 Ų69.937%0.37240%0.401SS..Hα-helixtrans-78.6-40.3177.8-61.1176.9000111.3I18 D20 Y57I18-L23 HydrophobicContact CG2-CD2 4.1Å; I18-L23 HydrophobicContact CG2-CG 4.07Å; D20-L23 WeakPolarHBondContact O-CB 3.41Å; D20-L23 PolarHBondContact O-N 3.41Å; L23-Y57 HydrophobicContact CD2-CD1 4.16Å; L23-Y57 HydrophobicContact CD2-CE1 4.06Å; L23-Y57 HydrophobicContact CD2-CE2 4.43Å; L23-Y57 HydrophobicContact CD2-CG 4.41Å; L23-Y57 WeakPolarHBondContact O-CB 3.18Å
24D90.8Very high83.6Confident47 Ų4772.6 Ų72.625%0.25142%0.42SS..  trans-147.498.6172.5-1787.5000110.9D20 W21 F26 T27D20-D24 PolarHBondContact O-N 2.94Å; W21-D24 CarbonylContact O-C 3.43Å; D24-F26 PolarHBondContact O-N 3.25Å; D24-F26 WeakPolarHBondContact OD1-CB 3.4Å; D24-F26 PolarHBondContact OD1-N 3.27Å; D24-T27 WeakPolarHBondContact CB-OG1 3.49Å; D24-T27 PolarHBondContact O-N 2.78Å; D24-T27 PolarHBondContact O-OG1 3.32Å; D24-T27 WeakPolarHBondContact OD2-CB 3.46Å; D24-T27 WeakPolarHBondContact OD2-CG2 3.41Å; D24-T27 PolarHBondContact OD2-OG1 2.88Å
25P90.7Very high84.3Confident0 Ų070.6 Ų70.60%041%0.409CS..THydrogen-bonded Turntrans-64.8-8.5178.724.4-34.3000113.6W21 L40 M43 Q44 M53 F60 W61W21-P25 WeakPolarHBondContact O-CA 3.32Å; W21-P25 WeakPolarHBondContact O-CB 3.36Å; W21-P25 VanDerWaalsContact O-CD 3.29Å; W21-P25 WeakPolarHBondContact O-CD 3.29Å; P25-L40 HydrophobicContact CB-CD1 3.63Å; P25-M43 HydrophobicContact CB-SD 3.71Å; P25-M43 HydrophobicContact CG-SD 3.89Å; P25-Q44 VanDerWaalsContact O-CG 3.23Å; P25-Q44 WeakPolarHBondContact O-CG 3.46Å; P25-Q44 PolarHBondContact O-NE2 3.48Å; P25-M53 HydrophobicContact CG-CE 3.36Å; P25-F60 HydrophobicContact CG-CD1 4.45Å; P25-F60 HydrophobicContact CG-CE1 3.86Å; P25-F60 HydrophobicContact CG-CZ 4.3Å; P25-W61 HydrophobicContact CB-CZ2 4.43Å; P25-W61 HydrophobicContact CG-CZ2 4.31Å
26F90.7Very high84.7Confident44 Ų4469.3 Ų69.319%0.19339%0.392CS..THydrogen-bonded Turntrans-100.4-7.2-176.4-58.9-78.9000114.8D24 Q44 L49 K50 M53 F60D24-F26 PolarHBondContact O-N 3.25Å; D24-F26 WeakPolarHBondContact OD1-CB 3.4Å; D24-F26 PolarHBondContact OD1-N 3.27Å; F26-Q44 HydrophobicContact CD1-CG 4.25Å; F26-L49 HydrophobicContact CZ-CB 3.86Å; F26-K50 HydrophobicContact CD1-CG 3.92Å; F26-K50 HydrophobicContact CE1-CG 3.79Å; F26-K50 HydrophobicContact CG-CG 4.39Å; F26-K50 HydrophobicContact CZ-CG 4.16Å; F26-M53 HydrophobicContact CD2-CB 4.42Å; F26-M53 HydrophobicContact CD2-CE 3.95Å; F26-M53 HydrophobicContact CD2-CG 4.41Å; F26-M53 HydrophobicContact CE2-CB 4.14Å; F26-M53 HydrophobicContact CE2-CE 3.61Å; F26-M53 HydrophobicContact CE2-CG 4.47Å; F26-F60 HydrophobicContact CE2-CE2 4.28Å; F26-F60 HydrophobicContact CE2-CZ 4.27Å; F26-F60 HydrophobicContact CZ-CE2 4.43Å; F26-F60 HydrophobicContact CZ-CZ 4.33Å
27T83.6Confident85.1Confident102 Ų10269.3 Ų69.363%0.62639%0.391SS*.THydrogen-bonded Turntrans-99-28.6-171.627.80000116.6D24D24-T27 WeakPolarHBondContact CB-OG1 3.49Å; D24-T27 PolarHBondContact O-N 2.78Å; D24-T27 PolarHBondContact O-OG1 3.32Å; D24-T27 WeakPolarHBondContact OD2-CB 3.46Å; D24-T27 WeakPolarHBondContact OD2-CG2 3.41Å; D24-T27 PolarHBondContact OD2-OG1 2.88Å
28C68.4Low85.5Confident70 Ų7068.7 Ų68.747%0.47338%0.38SS..  trans-165141.5175.4-1600000114.9A30C28-A30 VanDerWaalsContact SG-CB 3.55Å; C28-A30 PolarHBondContact SG-N 2.77Å
29L71.7Confident86Confident53 Ų5366.3 Ų66.328%0.27737%0.367SS..  trans-103.50.5175.3-64.9-178.8000114.2E31 V32 L40 I41L29-E31 PolarHBondContact O-N 3.42Å; L29-V32 HydrophobicContact CD2-CG2 4.22Å; L29-V32 PolarHBondContact O-N 3.1Å; L29-V32 VanDerWaalsContact O-N 3.14Å; L29-L40 HydrophobicContact CD2-CB 4.11Å; L29-L40 HydrophobicContact CD2-CD2 3.19Å; L29-L40 HydrophobicContact CD2-CG 3.51Å; L29-I41 HydrophobicContact CD1-CG1 3.87Å
30A69.3Low86.3Confident88 Ų8864 Ų6473%0.72735%0.351SS*.THydrogen-bonded Turntrans-57.8-29.6-161.200000114.7C28C28-A30 VanDerWaalsContact SG-CB 3.55Å; C28-A30 PolarHBondContact SG-N 2.77Å
31E73.9Confident86.5Confident185 Ų18562.6 Ų62.686%0.86434%0.343SS*.THydrogen-bonded Turntrans-121.727.6-177.9-61.8-172.4173.500113.2L29L29-E31 PolarHBondContact O-N 3.42Å
32V83.8Confident86.7Confident10 Ų1067 Ų676%0.06136%0.364CS..  trans-86.9123.5-179.8-177.40000110.1W21 L29 Q37 L40W21-V32 HydrophobicContact CB-CG2 4.37Å; W21-V32 HydrophobicContact CG-CG2 4.16Å; L29-V32 HydrophobicContact CD2-CG2 4.22Å; L29-V32 PolarHBondContact O-N 3.1Å; L29-V32 VanDerWaalsContact O-N 3.14Å; V32-Q37 HydrophobicContact CB-CG 4.18Å; V32-Q37 HydrophobicContact CG1-CG 3.98Å; V32-Q37 PolarHBondContact O-NE2 3.14Å; V32-L40 HydrophobicContact CB-CD2 4.36Å; V32-L40 HydrophobicContact CG1-CD2 3.94Å; V32-L40 HydrophobicContact CG2-CD2 3.64Å
33E87.9Confident86.8Confident129 Ų12967 Ų6760%0.60336%0.364SS*.  trans-54.9140.9172.5-65.7175.2-140.700111A35 Y36 Q37E33-A35 PolarHBondContact O-N 3.26Å; E33-Y36 HydrophobicContact CB-CD2 3.81Å; E33-Y36 HydrophobicContact CB-CE2 3.94Å; E33-Y36 HydrophobicContact CG-CE2 4.33Å; E33-Y36 PolarHBondContact O-N 3.42Å; E33-Q37 PolarHBondContact O-N 2.95Å
34V89.2Confident86.9Confident117 Ų11765.7 Ų65.771%0.70936%0.355SS*.Hα-helixtrans-51.5-32.4-177.9179.20000112.6Y36 Q37V34-Y36 PolarHBondContact O-N 2.84Å; V34-Y36 VanDerWaalsContact O-N 3.15Å; V34-Q37 PolarHBondContact O-N 3.32Å
35A89.2Confident87Confident51 Ų5167 Ų6742%0.42137%0.373SS..Hα-helixtrans-60.1-23178.700000114.6E33 R72E33-A35 PolarHBondContact O-N 3.26Å; A35-R72 PolarHBondContact O-NH1 3.18Å; A35-R72 VanDerWaalsContact O-NH1 3.1Å
36Y91Very high87.1Confident53 Ų5368.9 Ų68.921%0.20838%0.383CS..Hα-helixtrans-111.4-14.7-176.5-51.1-56.2000113.6E33 V34 E38 E39 L40 R72 L73 V76E33-Y36 HydrophobicContact CB-CD2 3.81Å; E33-Y36 HydrophobicContact CB-CE2 3.94Å; E33-Y36 HydrophobicContact CG-CE2 4.33Å; E33-Y36 PolarHBondContact O-N 3.42Å; V34-Y36 PolarHBondContact O-N 2.84Å; V34-Y36 VanDerWaalsContact O-N 3.15Å; Y36-E38 VanDerWaalsContact C-N 3.32Å; Y36-E38 PolarHBondContact O-N 3.26Å; Y36-E39 PolarHBondContact O-N 3Å; Y36-L40 WeakPolarHBondContact O-CB 3.33Å; Y36-L40 PolarHBondContact O-N 2.75Å; Y36-L40 VanDerWaalsContact O-N 3.09Å; Y36-R72 HydrophobicContact CD1-CB 4.25Å; Y36-L73 HydrophobicContact CD1-CD2 4.47Å; Y36-L73 HydrophobicContact CG-CD2 4.4Å; Y36-V76 HydrophobicContact CD1-CG2 4.38Å; Y36-V76 HydrophobicContact CE1-CG2 3.66Å; Y36-V76 HydrophobicContact CE2-CG2 4.42Å
37Q91.2Very high87.2Confident70 Ų7072.3 Ų72.333%0.32740%0.4SS..Hα-helixtrans-58.8-41.1-173.9-74-179.4-6.800112.7V32 E33 V34 L40 I41V32-Q37 HydrophobicContact CB-CG 4.18Å; V32-Q37 HydrophobicContact CG1-CG 3.98Å; V32-Q37 PolarHBondContact O-NE2 3.14Å; E33-Q37 PolarHBondContact O-N 2.95Å; V34-Q37 PolarHBondContact O-N 3.32Å; Q37-L40 PolarHBondContact O-N 3.23Å; Q37-I41 WeakPolarHBondContact O-CB 3.4Å; Q37-I41 WeakPolarHBondContact O-CD1 3.36Å; Q37-I41 WeakPolarHBondContact O-CG1 3.42Å; Q37-I41 PolarHBondContact O-N 3.09Å
38E93Very high87.6Confident111 Ų11174.1 Ų74.152%0.51940%0.401SS..Hα-helixtrans-60-57.1-179.6-177.1-178.7-145.400112.3Y36 L40 I41 E42 R72Y36-E38 VanDerWaalsContact C-N 3.32Å; Y36-E38 PolarHBondContact O-N 3.26Å; E38-L40 PolarHBondContact O-N 3.23Å; E38-I41 PolarHBondContact O-N 3.26Å; E38-E42 WeakPolarHBondContact O-CG 3.35Å; E38-E42 PolarHBondContact O-N 3.4Å; E38-R72 IonicContact OE2-CZ 2.73Å; E38-R72 IonicContact OE2-NH1 2.78Å; E38-R72 PolarHBondContact OE2-NH1 3.26Å; E38-R72 IonicContact OE2-NH2 2.62Å; E38-R72 PolarHBondContact OE2-NH2 2.92Å
39E94.4Very high88.8Confident11 Ų1170.8 Ų70.85%0.05138%0.379CS..Hα-helixtrans-60.1-34.6177.6-84.8-178.8-154.900111.9Y36 M43 Y70 P71 R72 L73Y36-E39 PolarHBondContact O-N 3Å; E39-M43 VanDerWaalsContact O-CB 3.29Å; E39-M43 WeakPolarHBondContact O-CB 3.3Å; E39-M43 PolarHBondContact O-N 3.32Å; E39-Y70 HydrophobicContact CB-CD1 4.12Å; E39-Y70 HydrophobicContact CG-CD1 4.25Å; E39-Y70 VanDerWaalsContact OE2-CA 3.26Å; E39-Y70 WeakPolarHBondContact OE2-CA 3.45Å; E39-P71 WeakPolarHBondContact OE1-CD 3.34Å; E39-R72 VanDerWaalsContact OE1-CB 3.3Å; E39-R72 WeakPolarHBondContact OE1-CB 3.33Å; E39-R72 WeakPolarHBondContact OE1-CG 3.35Å; E39-R72 IonicContact OE1-CZ 2.61Å; E39-R72 PolarHBondContact OE1-N 2.82Å; E39-R72 IonicContact OE1-NE 3.98Å; E39-R72 PolarHBondContact OE1-NE 3.24Å; E39-R72 IonicContact OE1-NH2 3.48Å; E39-R72 WeakPolarHBondContact OE2-CA 3.26Å; E39-R72 WeakPolarHBondContact OE2-CB 3.5Å; E39-R72 PolarHBondContact OE2-N 3.25Å; E39-L73 HydrophobicContact CB-CD1 3.77Å; E39-L73 HydrophobicContact CB-CD2 4.5Å; E39-L73 HydrophobicContact CB-CG 3.77Å; E39-L73 WeakPolarHBondContact OE2-CG 3.45Å; E39-L73 PolarHBondContact OE2-N 3.38Å
40L93.6Very high89.7Confident0 Ų072.4 Ų72.40%038%0.383CS..Hα-helixtrans-73.6-38.5-177.9-163.959.9000111.7W21 P25 L29 V32 Y36 Q37 E38 M43 Q44 L73W21-L40 HydrophobicContact CB-CD2 3.86Å; W21-L40 HydrophobicContact CD2-CD2 4.4Å; W21-L40 HydrophobicContact CE3-CD1 4.32Å; W21-L40 HydrophobicContact CG-CD2 4.1Å; P25-L40 HydrophobicContact CB-CD1 3.63Å; L29-L40 HydrophobicContact CD2-CB 4.11Å; L29-L40 HydrophobicContact CD2-CD2 3.19Å; L29-L40 HydrophobicContact CD2-CG 3.51Å; V32-L40 HydrophobicContact CB-CD2 4.36Å; V32-L40 HydrophobicContact CG1-CD2 3.94Å; V32-L40 HydrophobicContact CG2-CD2 3.64Å; Y36-L40 WeakPolarHBondContact O-CB 3.33Å; Y36-L40 PolarHBondContact O-N 2.75Å; Y36-L40 VanDerWaalsContact O-N 3.09Å; Q37-L40 PolarHBondContact O-N 3.23Å; E38-L40 PolarHBondContact O-N 3.23Å; L40-M43 HydrophobicContact CD1-SD 4.47Å; L40-M43 PolarHBondContact O-N 3.25Å; L40-Q44 WeakPolarHBondContact O-CB 3.2Å; L40-Q44 WeakPolarHBondContact O-CG 3.3Å; L40-Q44 PolarHBondContact O-N 3.09Å; L40-L73 HydrophobicContact CB-CD1 4.16Å; L40-L73 HydrophobicContact CB-CD2 4.33Å; L40-L73 HydrophobicContact CD1-CD1 3.88Å; L40-L73 HydrophobicContact CD1-CD2 4.46Å
41I92.9Very high90.8Very high90 Ų9071.7 Ų71.746%0.46237%0.371SS..Hα-helixtrans-63.7-45.7172.9-70.2162.7000110.2L29 Q37 E38 M43 Q44 A45L29-I41 HydrophobicContact CD1-CG1 3.87Å; Q37-I41 WeakPolarHBondContact O-CB 3.4Å; Q37-I41 WeakPolarHBondContact O-CD1 3.36Å; Q37-I41 WeakPolarHBondContact O-CG1 3.42Å; Q37-I41 PolarHBondContact O-N 3.09Å; E38-I41 PolarHBondContact O-N 3.26Å; I41-M43 VanDerWaalsContact C-N 3.33Å; I41-M43 PolarHBondContact O-N 2.86Å; I41-Q44 PolarHBondContact O-N 3.33Å; I41-A45 WeakPolarHBondContact O-CB 3.37Å; I41-A45 PolarHBondContact O-N 2.72Å
42E94.1Very high91.7Very high105 Ų10565.7 Ų65.749%0.49134%0.342SS..Hα-helixtrans-61-41.6176.7-72.4180177.500112.1E38 A45 N46 Y70E38-E42 WeakPolarHBondContact O-CG 3.35Å; E38-E42 PolarHBondContact O-N 3.4Å; E42-A45 PolarHBondContact O-N 3.39Å; E42-N46 PolarHBondContact O-N 3.15Å; E42-Y70 HydrophobicContact CB-CE1 4.15Å
43M94Very high92Very high0 Ų066.6 Ų66.60%035%0.346CS..Hα-helixtrans-64-44.4174.9-177.1-175.7-7200111.9P25 E39 L40 I41 A45 N46 L49 F60 W61 I66 Y70 L73P25-M43 HydrophobicContact CB-SD 3.71Å; P25-M43 HydrophobicContact CG-SD 3.89Å; E39-M43 VanDerWaalsContact O-CB 3.29Å; E39-M43 WeakPolarHBondContact O-CB 3.3Å; E39-M43 PolarHBondContact O-N 3.32Å; L40-M43 HydrophobicContact CD1-SD 4.47Å; L40-M43 PolarHBondContact O-N 3.25Å; I41-M43 VanDerWaalsContact C-N 3.33Å; I41-M43 PolarHBondContact O-N 2.86Å; M43-A45 VanDerWaalsContact C-N 3.32Å; M43-A45 PolarHBondContact O-N 3.29Å; M43-N46 WeakPolarHBondContact O-CB 3.47Å; M43-N46 PolarHBondContact O-N 2.94Å; M43-N46 VanDerWaalsContact O-N 3.13Å; M43-L49 HydrophobicContact CG-CD1 3.88Å; M43-F60 HydrophobicContact CE-CE1 4.16Å; M43-F60 HydrophobicContact CE-CZ 4.31Å; M43-F60 HydrophobicContact CG-CZ 4.35Å; M43-F60 HydrophobicContact SD-CE1 3.76Å; M43-F60 HydrophobicContact SD-CZ 3.74Å; M43-W61 HydrophobicContact CE-CH2 3.88Å; M43-W61 HydrophobicContact CE-CZ3 3.79Å; M43-W61 HydrophobicContact SD-CH2 4.21Å; M43-I66 HydrophobicContact CE-CG2 4.16Å; M43-Y70 HydrophobicContact CB-CD1 4.22Å; M43-Y70 HydrophobicContact CB-CE1 3.83Å; M43-Y70 HydrophobicContact CB-CE2 4.18Å; M43-Y70 HydrophobicContact CE-CD1 4.19Å; M43-Y70 HydrophobicContact CE-CD2 3.23Å; M43-Y70 HydrophobicContact CE-CE2 3.8Å; M43-Y70 HydrophobicContact CE-CG 3.45Å; M43-Y70 VanDerWaalsContact CE-CG 3.45Å; M43-Y70 HydrophobicContact CG-CD2 4.49Å; M43-Y70 HydrophobicContact CG-CE2 4.13Å; M43-L73 HydrophobicContact CE-CD1 3.62Å; M43-L73 HydrophobicContact SD-CD1 4.28Å
44Q92.5Very high92Very high43 Ų4369.3 Ų69.320%0.20136%0.356CS..Hα-helixtrans-65.6-34.6179.4-77.6178.7-15.500112.8P25 F26 L40 I41 N46P25-Q44 VanDerWaalsContact O-CG 3.23Å; P25-Q44 WeakPolarHBondContact O-CG 3.46Å; P25-Q44 PolarHBondContact O-NE2 3.48Å; F26-Q44 HydrophobicContact CD1-CG 4.25Å; L40-Q44 WeakPolarHBondContact O-CB 3.2Å; L40-Q44 WeakPolarHBondContact O-CG 3.3Å; L40-Q44 PolarHBondContact O-N 3.09Å; I41-Q44 PolarHBondContact O-N 3.33Å; Q44-N46 PolarHBondContact O-N 2.92Å
45A92.5Very high92Very high75 Ų7566.5 Ų66.562%0.6235%0.35SS*.Hα-helixtrans-70.2-18.517500000112.8I41 E42 M43 E47I41-A45 WeakPolarHBondContact O-CB 3.37Å; I41-A45 PolarHBondContact O-N 2.72Å; E42-A45 PolarHBondContact O-N 3.39Å; M43-A45 VanDerWaalsContact C-N 3.32Å; M43-A45 PolarHBondContact O-N 3.29Å; A45-E47 PolarHBondContact O-N 3.4Å
46N93Very high92.1Very high39 Ų3965.5 Ų65.521%0.20935%0.345CS..  trans-84.489.4178.2-169.1-15000111.4E42 M43 Q44 E48 L49E42-N46 PolarHBondContact O-N 3.15Å; M43-N46 WeakPolarHBondContact O-CB 3.47Å; M43-N46 PolarHBondContact O-N 2.94Å; M43-N46 VanDerWaalsContact O-N 3.13Å; Q44-N46 PolarHBondContact O-N 2.92Å; N46-E48 PolarHBondContact O-N 3.41Å; N46-E48 VanDerWaalsContact O-N 3.14Å; N46-E48 WeakPolarHBondContact OD1-CB 3.48Å; N46-E48 PolarHBondContact OD1-N 3.15Å; N46-E48 VanDerWaalsContact OD1-N 3.16Å; N46-L49 HydrophobicContact CB-CD1 3.91Å; N46-L49 HydrophobicContact CB-CG 4.02Å; N46-L49 WeakPolarHBondContact O-CB 3.21Å; N46-L49 PolarHBondContact O-N 3.23Å
47E91.7Very high92.2Very high116 Ų11667.6 Ų67.654%0.54235%0.353SS..THydrogen-bonded Turntrans-57.9-24.9178.1-65.2-66140.300113.6A45 L49 K50 P51A45-E47 PolarHBondContact O-N 3.4Å; E47-L49 PolarHBondContact O-N 3.07Å; E47-K50 PolarHBondContact O-N 2.87Å; E47-K50 VanDerWaalsContact OE1-CE 3.32Å; E47-K50 WeakPolarHBondContact OE1-CE 3.14Å; E47-K50 IonicContact OE1-NZ 2.89Å; E47-K50 PolarHBondContact OE1-NZ 2.98Å; E47-K50 VanDerWaalsContact OE2-CD 3.32Å; E47-K50 WeakPolarHBondContact OE2-CD 3.46Å; E47-K50 VanDerWaalsContact OE2-CE 3.27Å; E47-K50 WeakPolarHBondContact OE2-CE 3.44Å; E47-K50 IonicContact OE2-NZ 3.37Å; E47-K50 PolarHBondContact OE2-NZ 3.09Å; E47-P51 VanDerWaalsContact O-CD 3.3Å; E47-P51 WeakPolarHBondContact O-CD 3.42Å
48E93.4Very high92.1Very high141 Ų14167.1 Ų67.166%0.65936%0.356SS*.THydrogen-bonded Turntrans-68.6-19.8178.3-55.7-171.8163.900112.7N46 P51N46-E48 PolarHBondContact O-N 3.41Å; N46-E48 VanDerWaalsContact O-N 3.14Å; N46-E48 WeakPolarHBondContact OD1-CB 3.48Å; N46-E48 PolarHBondContact OD1-N 3.15Å; N46-E48 VanDerWaalsContact OD1-N 3.16Å; E48-P51 WeakPolarHBondContact O-CD 3.18Å; E48-P51 WeakPolarHBondContact O-CG 3.23Å
49L93.1Very high92.1Very high0 Ų064.2 Ų64.20%035%0.347CS..THydrogen-bonded Turntrans-84.5-27.3179.1-62.6-176.4000113.2F26 M43 N46 E47 K52 M53 F60 I66 Y70F26-L49 HydrophobicContact CZ-CB 3.86Å; M43-L49 HydrophobicContact CG-CD1 3.88Å; N46-L49 HydrophobicContact CB-CD1 3.91Å; N46-L49 HydrophobicContact CB-CG 4.02Å; N46-L49 WeakPolarHBondContact O-CB 3.21Å; N46-L49 PolarHBondContact O-N 3.23Å; E47-L49 PolarHBondContact O-N 3.07Å; L49-K52 HydrophobicContact CD2-CD 3.95Å; L49-K52 WeakPolarHBondContact O-CA 3.34Å; L49-K52 VanDerWaalsContact O-CB 3.29Å; L49-K52 WeakPolarHBondContact O-CB 3.36Å; L49-K52 PolarHBondContact O-N 2.86Å; L49-M53 PolarHBondContact O-N 3.48Å; L49-F60 HydrophobicContact CB-CE2 4.15Å; L49-I66 HydrophobicContact CD1-CD1 3.81Å; L49-I66 HydrophobicContact CD2-CD1 3.86Å; L49-I66 HydrophobicContact CG-CD1 4.41Å; L49-Y70 HydrophobicContact CD1-CE2 3.69Å
50K91Very high92.1Very high87 Ų8763.7 Ų63.738%0.37835%0.345SS..G310 helixtrans-52.9-48.6178.2-68.2-173.8-175.61690114F26 E47 K52 M53F26-K50 HydrophobicContact CD1-CG 3.92Å; F26-K50 HydrophobicContact CE1-CG 3.79Å; F26-K50 HydrophobicContact CG-CG 4.39Å; F26-K50 HydrophobicContact CZ-CG 4.16Å; E47-K50 PolarHBondContact O-N 2.87Å; E47-K50 VanDerWaalsContact OE1-CE 3.32Å; E47-K50 WeakPolarHBondContact OE1-CE 3.14Å; E47-K50 IonicContact OE1-NZ 2.89Å; E47-K50 PolarHBondContact OE1-NZ 2.98Å; E47-K50 VanDerWaalsContact OE2-CD 3.32Å; E47-K50 WeakPolarHBondContact OE2-CD 3.46Å; E47-K50 VanDerWaalsContact OE2-CE 3.27Å; E47-K50 WeakPolarHBondContact OE2-CE 3.44Å; E47-K50 IonicContact OE2-NZ 3.37Å; E47-K50 PolarHBondContact OE2-NZ 3.09Å; K50-K52 PolarHBondContact O-N 2.97Å; K50-M53 WeakPolarHBondContact O-CB 3.35Å; K50-M53 PolarHBondContact O-N 3.02Å; K50-M53 VanDerWaalsContact O-N 3.14Å
51P91.8Very high92.2Very high72 Ų7263.7 Ų63.747%0.46835%0.345SS..G310 helixtrans-64.1-26.3177.325.4-34.9000112.8E47 E48 M53 K54E47-P51 VanDerWaalsContact O-CD 3.3Å; E47-P51 WeakPolarHBondContact O-CD 3.42Å; E48-P51 WeakPolarHBondContact O-CD 3.18Å; E48-P51 WeakPolarHBondContact O-CG 3.23Å; P51-M53 VanDerWaalsContact C-N 3.25Å; P51-M53 PolarHBondContact O-N 2.73Å; P51-K54 WeakPolarHBondContact O-CB 3.29Å; P51-K54 WeakPolarHBondContact O-CG 3.49Å; P51-K54 PolarHBondContact O-N 3.25Å
52K91.7Very high92.1Very high60 Ų6063 Ų6326%0.26134%0.342SS..G310 helixtrans-70.8-22.1177.9-52.6-173-171.7164.60112.3L49 K50 K54 F60 E65L49-K52 HydrophobicContact CD2-CD 3.95Å; L49-K52 WeakPolarHBondContact O-CA 3.34Å; L49-K52 VanDerWaalsContact O-CB 3.29Å; L49-K52 WeakPolarHBondContact O-CB 3.36Å; L49-K52 PolarHBondContact O-N 2.86Å; K50-K52 PolarHBondContact O-N 2.97Å; K52-K54 PolarHBondContact O-N 3.42Å; K52-F60 HydrophobicContact CB-CD2 4.31Å; K52-E65 VanDerWaalsContact NZ-CD 3.27Å; K52-E65 IonicContact NZ-OE1 3.24Å; K52-E65 PolarHBondContact NZ-OE1 3.06Å; K52-E65 IonicContact NZ-OE2 2.61Å; K52-E65 PolarHBondContact NZ-OE2 3.45Å
53M90.1Very high92.1Very high29 Ų2960.3 Ų60.314%0.14333%0.329CS..G310 helixtrans-68.3-17.2173.9-167.7566800113.3P25 F26 L49 K50 P51 G55 G56 F60P25-M53 HydrophobicContact CG-CE 3.36Å; F26-M53 HydrophobicContact CD2-CB 4.42Å; F26-M53 HydrophobicContact CD2-CE 3.95Å; F26-M53 HydrophobicContact CD2-CG 4.41Å; F26-M53 HydrophobicContact CE2-CB 4.14Å; F26-M53 HydrophobicContact CE2-CE 3.61Å; F26-M53 HydrophobicContact CE2-CG 4.47Å; L49-M53 PolarHBondContact O-N 3.48Å; K50-M53 WeakPolarHBondContact O-CB 3.35Å; K50-M53 PolarHBondContact O-N 3.02Å; K50-M53 VanDerWaalsContact O-N 3.14Å; P51-M53 VanDerWaalsContact C-N 3.25Å; P51-M53 PolarHBondContact O-N 2.73Å; M53-G55 PolarHBondContact O-N 2.98Å; M53-G55 VanDerWaalsContact O-N 3.09Å; M53-G56 WeakPolarHBondContact O-CA 3.35Å; M53-G56 PolarHBondContact O-N 3.11Å; M53-F60 HydrophobicContact CE-CB 3.94Å; M53-F60 HydrophobicContact CE-CD1 3.42Å; M53-F60 VanDerWaalsContact CE-CD1 3.42Å; M53-F60 HydrophobicContact CE-CD2 3.57Å; M53-F60 HydrophobicContact CE-CE1 3.69Å; M53-F60 HydrophobicContact CE-CE2 3.83Å; M53-F60 HydrophobicContact CE-CG 3.34Å; M53-F60 HydrophobicContact CE-CZ 3.88Å; M53-F60 HydrophobicContact SD-CB 3.95Å; M53-F60 HydrophobicContact SD-CD1 4.46Å; M53-F60 HydrophobicContact SD-CD2 4.37Å; M53-F60 HydrophobicContact SD-CG 4.02Å
54K89.6Confident92.2Very high186 Ų18666.9 Ų66.981%0.80936%0.36SS*.G310 helixtrans-59.4-23.6178.5-68.8-178.7178.2-179.60113.7P51 K52 G56P51-K54 WeakPolarHBondContact O-CB 3.29Å; P51-K54 WeakPolarHBondContact O-CG 3.49Å; P51-K54 PolarHBondContact O-N 3.25Å; K52-K54 PolarHBondContact O-N 3.42Å; K54-G56 PolarHBondContact O-N 3.13Å
55G88.5Confident92.3Very high57 Ų5768 Ų6859%0.58837%0.365SS*.G310 helixtrans-77.3-1173.500000114.3M53 S59M53-G55 PolarHBondContact O-N 2.98Å; M53-G55 VanDerWaalsContact O-N 3.09Å; G55-S59 VanDerWaalsContact CA-OG 3.3Å; G55-S59 WeakPolarHBondContact CA-OG 3.48Å; G55-S59 PolarHBondContact O-OG 3.39Å
56G91.6Very high92.4Very high31 Ų3164.4 Ų64.432%0.3234%0.336SS..  trans82.9160.7-17400000113.3M53 K54 T58 S59 F60M53-G56 WeakPolarHBondContact O-CA 3.35Å; M53-G56 PolarHBondContact O-N 3.11Å; K54-G56 PolarHBondContact O-N 3.13Å; G56-T58 VanDerWaalsContact C-N 3.31Å; G56-T58 PolarHBondContact O-N 2.82Å; G56-S59 PolarHBondContact O-N 2.91Å; G56-S59 VanDerWaalsContact O-N 3.15Å; G56-S59 PolarHBondContact O-OG 3.24Å; G56-F60 PolarHBondContact O-N 3.17Å; G56-F60 VanDerWaalsContact O-N 3.07Å
57Y91.7Very high92.5Very high96 Ų9667.2 Ų67.238%0.37634%0.343SS..Hα-helixtrans-55.8-39.7-172.665.5-90.4000113.7L23 S59 F60 W61 L81L23-Y57 HydrophobicContact CD2-CD1 4.16Å; L23-Y57 HydrophobicContact CD2-CE1 4.06Å; L23-Y57 HydrophobicContact CD2-CE2 4.43Å; L23-Y57 HydrophobicContact CD2-CG 4.41Å; L23-Y57 WeakPolarHBondContact O-CB 3.18Å; Y57-S59 PolarHBondContact O-N 3.09Å; Y57-F60 WeakPolarHBondContact O-CB 3.41Å; Y57-F60 PolarHBondContact O-N 3.14Å; Y57-W61 PolarHBondContact O-N 2.88Å; Y57-L81 HydrophobicContact CD2-CD2 3.8Å; Y57-L81 HydrophobicContact CE2-CD2 3.74Å
58T90.9Very high92.7Very high61 Ų6167.9 Ų67.937%0.37435%0.346SS..Hα-helixtrans-59.9-50.3178.5-51.50000111.2G56 F60 L62 L81G56-T58 VanDerWaalsContact C-N 3.31Å; G56-T58 PolarHBondContact O-N 2.82Å; T58-F60 VanDerWaalsContact C-N 3.26Å; T58-F60 PolarHBondContact O-N 3.02Å; T58-L62 HydrophobicContact CG2-CD1 3.87Å; T58-L62 WeakPolarHBondContact O-CB 3.29Å; T58-L62 WeakPolarHBondContact O-CD1 3.02Å; T58-L62 WeakPolarHBondContact O-CG 3.22Å; T58-L62 PolarHBondContact O-N 2.97Å; T58-L81 HydrophobicContact CG2-CD2 4.08Å
59S92.3Very high92.8Very high49 Ų4965.4 Ų65.434%0.34334%0.337SS..Hα-helixtrans-64.5-35.2179.276.40000111.8G55 G56 Y57 Q63G55-S59 VanDerWaalsContact CA-OG 3.3Å; G55-S59 WeakPolarHBondContact CA-OG 3.48Å; G55-S59 PolarHBondContact O-OG 3.39Å; G56-S59 PolarHBondContact O-N 2.91Å; G56-S59 VanDerWaalsContact O-N 3.15Å; G56-S59 PolarHBondContact O-OG 3.24Å; Y57-S59 PolarHBondContact O-N 3.09Å; S59-Q63 WeakPolarHBondContact O-CG 3.43Å
60F94.7Very high93Very high0 Ų065.9 Ų65.90%034%0.339CS..Hα-helixtrans-62.1-57.7179.2178.5-99.2000111.7P25 F26 M43 L49 K52 M53 G56 Y57 T58 L62 Q63 I66P25-F60 HydrophobicContact CG-CD1 4.45Å; P25-F60 HydrophobicContact CG-CE1 3.86Å; P25-F60 HydrophobicContact CG-CZ 4.3Å; F26-F60 HydrophobicContact CE2-CE2 4.28Å; F26-F60 HydrophobicContact CE2-CZ 4.27Å; F26-F60 HydrophobicContact CZ-CE2 4.43Å; F26-F60 HydrophobicContact CZ-CZ 4.33Å; M43-F60 HydrophobicContact CE-CE1 4.16Å; M43-F60 HydrophobicContact CE-CZ 4.31Å; M43-F60 HydrophobicContact CG-CZ 4.35Å; M43-F60 HydrophobicContact SD-CE1 3.76Å; M43-F60 HydrophobicContact SD-CZ 3.74Å; L49-F60 HydrophobicContact CB-CE2 4.15Å; K52-F60 HydrophobicContact CB-CD2 4.31Å; M53-F60 HydrophobicContact CE-CB 3.94Å; M53-F60 HydrophobicContact CE-CD1 3.42Å; M53-F60 VanDerWaalsContact CE-CD1 3.42Å; M53-F60 HydrophobicContact CE-CD2 3.57Å; M53-F60 HydrophobicContact CE-CE1 3.69Å; M53-F60 HydrophobicContact CE-CE2 3.83Å; M53-F60 HydrophobicContact CE-CG 3.34Å; M53-F60 HydrophobicContact CE-CZ 3.88Å; M53-F60 HydrophobicContact SD-CB 3.95Å; M53-F60 HydrophobicContact SD-CD1 4.46Å; M53-F60 HydrophobicContact SD-CD2 4.37Å; M53-F60 HydrophobicContact SD-CG 4.02Å; G56-F60 PolarHBondContact O-N 3.17Å; G56-F60 VanDerWaalsContact O-N 3.07Å; Y57-F60 WeakPolarHBondContact O-CB 3.41Å; Y57-F60 PolarHBondContact O-N 3.14Å; T58-F60 VanDerWaalsContact C-N 3.26Å; T58-F60 PolarHBondContact O-N 3.02Å; F60-L62 VanDerWaalsContact C-N 3.26Å; F60-L62 PolarHBondContact O-N 3.17Å; F60-Q63 WeakPolarHBondContact O-CB 3.42Å; F60-Q63 WeakPolarHBondContact O-CG 3.35Å; F60-Q63 PolarHBondContact O-N 3.49Å; F60-I66 HydrophobicContact CE1-CD1 4.14Å; F60-I66 HydrophobicContact CE1-CG1 4.33Å; F60-I66 HydrophobicContact CE1-CG2 4.29Å; F60-I66 HydrophobicContact CE2-CD1 3.88Å; F60-I66 HydrophobicContact CE2-CG1 4.31Å; F60-I66 HydrophobicContact CZ-CD1 3.6Å; F60-I66 HydrophobicContact CZ-CG1 4.16Å; F60-I66 WeakPolarHBondContact O-CG1 3.36Å
61W94.6Very high93.2Very high0 Ų064.4 Ų64.40%034%0.338CS..Hα-helixtrans-66.2-25.3-177.7-70.1118.1000113.8W21 V22 P25 M43 Y57 Q63 I66 L73 W74 A77 L81W21-W61 HydrophobicContact CE3-CH2 4.23Å; W21-W61 HydrophobicContact CE3-CZ2 4.1Å; W21-W61 AromaticContact CZ3-CH2 3.78Å; W21-W61 HydrophobicContact CZ3-CH2 3.78Å; W21-W61 AromaticContact CZ3-CZ2 3.91Å; W21-W61 HydrophobicContact CZ3-CZ2 3.91Å; V22-W61 PolarHBondContact O-NE1 2.7Å; P25-W61 HydrophobicContact CB-CZ2 4.43Å; P25-W61 HydrophobicContact CG-CZ2 4.31Å; M43-W61 HydrophobicContact CE-CH2 3.88Å; M43-W61 HydrophobicContact CE-CZ3 3.79Å; M43-W61 HydrophobicContact SD-CH2 4.21Å; Y57-W61 PolarHBondContact O-N 2.88Å; W61-Q63 PolarHBondContact O-N 3.34Å; W61-I66 HydrophobicContact CE3-CG2 3.57Å; W61-I66 HydrophobicContact CZ3-CG2 3.84Å; W61-L73 HydrophobicContact CH2-CB 3.8Å; W61-L73 HydrophobicContact CH2-CD1 4.3Å; W61-L73 HydrophobicContact CZ3-CB 3.69Å; W61-W74 HydrophobicContact CB-CE3 4.15Å; W61-W74 HydrophobicContact CB-CZ3 4.02Å; W61-W74 VanDerWaalsContact O-CE3 3.25Å; W61-W74 WeakPolarHBondContact O-CZ3 3.08Å; W61-A77 HydrophobicContact CB-CB 4.32Å; W61-A77 HydrophobicContact CD2-CB 3.45Å; W61-A77 VanDerWaalsContact CD2-CB 3.45Å; W61-A77 HydrophobicContact CE3-CB 3.78Å; W61-A77 HydrophobicContact CG-CB 3.68Å; W61-A77 HydrophobicContact CZ2-CB 4.32Å; W61-A77 HydrophobicContact CZ3-CB 4.35Å; W61-L81 HydrophobicContact CB-CD1 3.3Å; W61-L81 HydrophobicContact CG-CD1 3.86Å
62L92.4Very high93.3Very high76 Ų7665.4 Ų65.440%0.39833%0.333SS..THydrogen-bonded Turntrans-76.3-10.1178.8-68.5175.2000113.6T58 F60 W74T58-L62 HydrophobicContact CG2-CD1 3.87Å; T58-L62 WeakPolarHBondContact O-CB 3.29Å; T58-L62 WeakPolarHBondContact O-CD1 3.02Å; T58-L62 WeakPolarHBondContact O-CG 3.22Å; T58-L62 PolarHBondContact O-N 2.97Å; F60-L62 VanDerWaalsContact C-N 3.26Å; F60-L62 PolarHBondContact O-N 3.17Å; L62-W74 HydrophobicContact CD2-CH2 4.05Å; L62-W74 HydrophobicContact CD2-CZ3 4.4Å
63Q93.8Very high93.4Very high49 Ų4962.5 Ų62.523%0.22932%0.32CS..SBendtrans-64.8135.7177.3-68.1169.93600111.4S59 F60 W61 E65 I66 R67S59-Q63 WeakPolarHBondContact O-CG 3.43Å; F60-Q63 WeakPolarHBondContact O-CB 3.42Å; F60-Q63 WeakPolarHBondContact O-CG 3.35Å; F60-Q63 PolarHBondContact O-N 3.49Å; W61-Q63 PolarHBondContact O-N 3.34Å; Q63-E65 VanDerWaalsContact C-N 3.26Å; Q63-E65 PolarHBondContact O-N 3.1Å; Q63-I66 HydrophobicContact CB-CB 4.39Å; Q63-I66 HydrophobicContact CB-CG1 3.98Å; Q63-I66 PolarHBondContact O-N 3.49Å; Q63-R67 WeakPolarHBondContact O-CG 3.37Å; Q63-R67 PolarHBondContact O-N 3.27Å
64Q95Very high93.7Very high137 Ų13762.6 Ų62.664%0.6432%0.319SS*.Hα-helixtrans-58.2-40.5179.8-179.7174.7-3.500112.3R67 Q68Q64-R67 PolarHBondContact O-N 2.93Å; Q64-Q68 HydrophobicContact CG-CG 4.47Å; Q64-Q68 WeakPolarHBondContact O-CG 3.28Å; Q64-Q68 PolarHBondContact O-N 3.03Å; Q64-Q68 VanDerWaalsContact O-N 3.09Å
65E95Very high93.8Very high67 Ų6757.2 Ų57.231%0.31330%0.299SS..Hα-helixtrans-59.1-47.6177.9-177.6-176.2168.100111.9K52 Q63 R67 Q68 L69K52-E65 VanDerWaalsContact NZ-CD 3.27Å; K52-E65 IonicContact NZ-OE1 3.24Å; K52-E65 PolarHBondContact NZ-OE1 3.06Å; K52-E65 IonicContact NZ-OE2 2.61Å; K52-E65 PolarHBondContact NZ-OE2 3.45Å; Q63-E65 VanDerWaalsContact C-N 3.26Å; Q63-E65 PolarHBondContact O-N 3.1Å; E65-R67 VanDerWaalsContact C-N 3.3Å; E65-R67 PolarHBondContact O-N 3.34Å; E65-Q68 PolarHBondContact O-N 2.84Å; E65-Q68 VanDerWaalsContact O-N 3.14Å; E65-L69 HydrophobicContact CG-CD1 3.62Å; E65-L69 HydrophobicContact CG-CG 4.24Å; E65-L69 WeakPolarHBondContact O-CB 3.35Å; E65-L69 WeakPolarHBondContact O-CG 3.16Å; E65-L69 PolarHBondContact O-N 3.37Å
66I95.1Very high93.9Very high0 Ų055.4 Ų55.40%028%0.276CS..Hα-helixtrans-61.4-41.3178.6-60.3-57.7000111.2M43 L49 F60 W61 Q63 Q68 Y70M43-I66 HydrophobicContact CE-CG2 4.16Å; L49-I66 HydrophobicContact CD1-CD1 3.81Å; L49-I66 HydrophobicContact CD2-CD1 3.86Å; L49-I66 HydrophobicContact CG-CD1 4.41Å; F60-I66 HydrophobicContact CE1-CD1 4.14Å; F60-I66 HydrophobicContact CE1-CG1 4.33Å; F60-I66 HydrophobicContact CE1-CG2 4.29Å; F60-I66 HydrophobicContact CE2-CD1 3.88Å; F60-I66 HydrophobicContact CE2-CG1 4.31Å; F60-I66 HydrophobicContact CZ-CD1 3.6Å; F60-I66 HydrophobicContact CZ-CG1 4.16Å; F60-I66 WeakPolarHBondContact O-CG1 3.36Å; W61-I66 HydrophobicContact CE3-CG2 3.57Å; W61-I66 HydrophobicContact CZ3-CG2 3.84Å; Q63-I66 HydrophobicContact CB-CB 4.39Å; Q63-I66 HydrophobicContact CB-CG1 3.98Å; Q63-I66 PolarHBondContact O-N 3.49Å; I66-Q68 VanDerWaalsContact C-N 3.27Å; I66-Q68 PolarHBondContact O-N 2.83Å; I66-Y70 HydrophobicContact CD1-CD2 4.11Å; I66-Y70 HydrophobicContact CD1-CE2 4.04Å; I66-Y70 HydrophobicContact CG2-CD2 4.3Å; I66-Y70 PolarHBondContact O-N 3.05Å
67R94.6Very high93.9Very high97 Ų9753.9 Ų53.937%0.36626%0.261SS..Hα-helixtrans-64.1-31.8178-65.5176.2175.5173.1-0.2113.3Q63 Q64 E65 W74Q63-R67 WeakPolarHBondContact O-CG 3.37Å; Q63-R67 PolarHBondContact O-N 3.27Å; Q64-R67 PolarHBondContact O-N 2.93Å; E65-R67 VanDerWaalsContact C-N 3.3Å; E65-R67 PolarHBondContact O-N 3.34Å; R67-W74 HydrophobicContact CB-CG 4.29Å; R67-W74 HydrophobicContact CG-CD2 3.68Å; R67-W74 HydrophobicContact CG-CE3 4.09Å; R67-W74 HydrophobicContact CG-CG 3.92Å; R67-W74 HydrophobicContact CG-CZ2 4.25Å
68Q96.2Very high93.9Very high131 Ų13152.8 Ų52.861%0.61226%0.258SS*.Hα-helixtrans-86.6-42.4-177.7-72.7179.8-17.200112.1Q64 E65 I66Q64-Q68 HydrophobicContact CG-CG 4.47Å; Q64-Q68 WeakPolarHBondContact O-CG 3.28Å; Q64-Q68 PolarHBondContact O-N 3.03Å; Q64-Q68 VanDerWaalsContact O-N 3.09Å; E65-Q68 PolarHBondContact O-N 2.84Å; E65-Q68 VanDerWaalsContact O-N 3.14Å; I66-Q68 VanDerWaalsContact C-N 3.27Å; I66-Q68 PolarHBondContact O-N 2.83Å
69L96Very high93.6Very high88 Ų8856.6 Ų56.646%0.46127%0.269SS..Hα-helixtrans-76.9-35.8-178.3-65.9-179.5000112.5E65 P71E65-L69 HydrophobicContact CG-CD1 3.62Å; E65-L69 HydrophobicContact CG-CG 4.24Å; E65-L69 WeakPolarHBondContact O-CB 3.35Å; E65-L69 WeakPolarHBondContact O-CG 3.16Å; E65-L69 PolarHBondContact O-N 3.37Å; L69-P71 VanDerWaalsContact C-CD 3.4Å; L69-P71 WeakPolarHBondContact O-CD 3.46Å
70Y95.6Very high93.1Very high11 Ų1156.4 Ų56.44%0.04326%0.263CS..  trans-12763.1-172.6-45.7-72000111.7E39 E42 M43 L49 I66 R72 L73 W74E39-Y70 HydrophobicContact CB-CD1 4.12Å; E39-Y70 HydrophobicContact CG-CD1 4.25Å; E39-Y70 VanDerWaalsContact OE2-CA 3.26Å; E39-Y70 WeakPolarHBondContact OE2-CA 3.45Å; E42-Y70 HydrophobicContact CB-CE1 4.15Å; M43-Y70 HydrophobicContact CB-CD1 4.22Å; M43-Y70 HydrophobicContact CB-CE1 3.83Å; M43-Y70 HydrophobicContact CB-CE2 4.18Å; M43-Y70 HydrophobicContact CE-CD1 4.19Å; M43-Y70 HydrophobicContact CE-CD2 3.23Å; M43-Y70 HydrophobicContact CE-CE2 3.8Å; M43-Y70 HydrophobicContact CE-CG 3.45Å; M43-Y70 VanDerWaalsContact CE-CG 3.45Å; M43-Y70 HydrophobicContact CG-CD2 4.49Å; M43-Y70 HydrophobicContact CG-CE2 4.13Å; L49-Y70 HydrophobicContact CD1-CE2 3.69Å; I66-Y70 HydrophobicContact CD1-CD2 4.11Å; I66-Y70 HydrophobicContact CD1-CE2 4.04Å; I66-Y70 HydrophobicContact CG2-CD2 4.3Å; I66-Y70 PolarHBondContact O-N 3.05Å; Y70-R72 VanDerWaalsContact C-N 3.33Å; Y70-R72 PolarHBondContact O-N 2.81Å; Y70-L73 PolarHBondContact O-N 3.18Å; Y70-W74 WeakPolarHBondContact O-CB 3.1Å; Y70-W74 PolarHBondContact O-N 3.26Å
71P95.8Very high92.5Very high56 Ų5658.2 Ų58.236%0.36427%0.272SS..Hα-helixtrans-65.5-31.9-173.127.3-35.6000113.1E39 L69 N75E39-P71 WeakPolarHBondContact OE1-CD 3.34Å; L69-P71 VanDerWaalsContact C-CD 3.4Å; L69-P71 WeakPolarHBondContact O-CD 3.46Å; P71-N75 WeakPolarHBondContact O-CB 3Å; P71-N75 PolarHBondContact O-N 3.28Å; P71-N75 PolarHBondContact O-ND2 2.97Å; P71-N75 VanDerWaalsContact O-ND2 3.08Å
72R94.6Very high91.5Very high92 Ų9262.7 Ų62.735%0.34730%0.295SS..Hα-helixtrans-69.1-47178-63.9177.3-80.5-174-11.7110.2A35 Y36 E38 E39 Y70 N75 V76A35-R72 PolarHBondContact O-NH1 3.18Å; A35-R72 VanDerWaalsContact O-NH1 3.1Å; Y36-R72 HydrophobicContact CD1-CB 4.25Å; E38-R72 IonicContact OE2-CZ 2.73Å; E38-R72 IonicContact OE2-NH1 2.78Å; E38-R72 PolarHBondContact OE2-NH1 3.26Å; E38-R72 IonicContact OE2-NH2 2.62Å; E38-R72 PolarHBondContact OE2-NH2 2.92Å; E39-R72 VanDerWaalsContact OE1-CB 3.3Å; E39-R72 WeakPolarHBondContact OE1-CB 3.33Å; E39-R72 WeakPolarHBondContact OE1-CG 3.35Å; E39-R72 IonicContact OE1-CZ 2.61Å; E39-R72 PolarHBondContact OE1-N 2.82Å; E39-R72 IonicContact OE1-NE 3.98Å; E39-R72 PolarHBondContact OE1-NE 3.24Å; E39-R72 IonicContact OE1-NH2 3.48Å; E39-R72 WeakPolarHBondContact OE2-CA 3.26Å; E39-R72 WeakPolarHBondContact OE2-CB 3.5Å; E39-R72 PolarHBondContact OE2-N 3.25Å; Y70-R72 VanDerWaalsContact C-N 3.33Å; Y70-R72 PolarHBondContact O-N 2.81Å; R72-N75 WeakPolarHBondContact O-CB 3.11Å; R72-N75 PolarHBondContact O-N 2.79Å; R72-V76 PolarHBondContact O-N 3.28Å
73L94.3Very high90.2Very high0 Ų061.2 Ų61.20%029%0.29CS..Hα-helixtrans-62-46.2176.4-63-178.4000111.6W21 Y36 E39 L40 M43 W61 Y70 N75 V76 A77W21-L73 HydrophobicContact CE3-CD2 4.16Å; W21-L73 HydrophobicContact CH2-CB 4.35Å; W21-L73 HydrophobicContact CH2-CD2 3.67Å; W21-L73 HydrophobicContact CZ2-CD2 4.41Å; W21-L73 HydrophobicContact CZ3-CB 4.03Å; W21-L73 HydrophobicContact CZ3-CD2 3.57Å; W21-L73 HydrophobicContact CZ3-CG 4.31Å; Y36-L73 HydrophobicContact CD1-CD2 4.47Å; Y36-L73 HydrophobicContact CG-CD2 4.4Å; E39-L73 HydrophobicContact CB-CD1 3.77Å; E39-L73 HydrophobicContact CB-CD2 4.5Å; E39-L73 HydrophobicContact CB-CG 3.77Å; E39-L73 WeakPolarHBondContact OE2-CG 3.45Å; E39-L73 PolarHBondContact OE2-N 3.38Å; L40-L73 HydrophobicContact CB-CD1 4.16Å; L40-L73 HydrophobicContact CB-CD2 4.33Å; L40-L73 HydrophobicContact CD1-CD1 3.88Å; L40-L73 HydrophobicContact CD1-CD2 4.46Å; M43-L73 HydrophobicContact CE-CD1 3.62Å; M43-L73 HydrophobicContact SD-CD1 4.28Å; W61-L73 HydrophobicContact CH2-CB 3.8Å; W61-L73 HydrophobicContact CH2-CD1 4.3Å; W61-L73 HydrophobicContact CZ3-CB 3.69Å; Y70-L73 PolarHBondContact O-N 3.18Å; L73-N75 VanDerWaalsContact C-N 3.28Å; L73-N75 PolarHBondContact O-N 3.23Å; L73-V76 PolarHBondContact O-N 3.11Å; L73-V76 VanDerWaalsContact O-N 3.09Å; L73-A77 PolarHBondContact O-N 3.35Å
74W94.9Very high88.5Confident31 Ų3164.7 Ų64.712%0.11731%0.305CS..Hα-helixtrans-57.5-40.7175.8166.5-118.8000112.4W61 L62 R67 Y70 V76 A77 K78 L81 I82W61-W74 HydrophobicContact CB-CE3 4.15Å; W61-W74 HydrophobicContact CB-CZ3 4.02Å; W61-W74 VanDerWaalsContact O-CE3 3.25Å; W61-W74 WeakPolarHBondContact O-CZ3 3.08Å; L62-W74 HydrophobicContact CD2-CH2 4.05Å; L62-W74 HydrophobicContact CD2-CZ3 4.4Å; R67-W74 HydrophobicContact CB-CG 4.29Å; R67-W74 HydrophobicContact CG-CD2 3.68Å; R67-W74 HydrophobicContact CG-CE3 4.09Å; R67-W74 HydrophobicContact CG-CG 3.92Å; R67-W74 HydrophobicContact CG-CZ2 4.25Å; Y70-W74 WeakPolarHBondContact O-CB 3.1Å; Y70-W74 PolarHBondContact O-N 3.26Å; W74-V76 PolarHBondContact O-N 3.06Å; W74-A77 PolarHBondContact O-N 3.23Å; W74-K78 HydrophobicContact CD2-CB 4.02Å; W74-K78 HydrophobicContact CE3-CB 4.06Å; W74-K78 HydrophobicContact CH2-CB 3.6Å; W74-K78 HydrophobicContact CZ2-CB 3.57Å; W74-K78 HydrophobicContact CZ2-CD 4.28Å; W74-K78 HydrophobicContact CZ3-CB 3.87Å; W74-K78 VanDerWaalsContact O-CB 3.29Å; W74-K78 WeakPolarHBondContact O-CB 3.45Å; W74-K78 WeakPolarHBondContact O-CG 3.47Å; W74-K78 PolarHBondContact O-N 2.77Å; W74-L81 HydrophobicContact CZ3-CD1 4.01Å; W74-I82 HydrophobicContact CH2-CD1 4.21Å; W74-I82 HydrophobicContact CZ2-CD1 4.34Å
75N92.8Very high86.7Confident73 Ų7362.2 Ų62.239%0.3930%0.3SS..Hα-helixtrans-62.2-26.5179.2-81.7-31000113.6P71 R72 L73 K78 K79P71-N75 WeakPolarHBondContact O-CB 3Å; P71-N75 PolarHBondContact O-N 3.28Å; P71-N75 PolarHBondContact O-ND2 2.97Å; P71-N75 VanDerWaalsContact O-ND2 3.08Å; R72-N75 WeakPolarHBondContact O-CB 3.11Å; R72-N75 PolarHBondContact O-N 2.79Å; L73-N75 VanDerWaalsContact C-N 3.28Å; L73-N75 PolarHBondContact O-N 3.23Å; N75-K78 WeakPolarHBondContact OD1-CE 3.46Å; N75-K78 PolarHBondContact OD1-NZ 3.16Å; N75-K79 WeakPolarHBondContact O-CE 3.06Å
76V90.6Very high85Confident18 Ų1861.7 Ų61.711%0.10930%0.304CS..Hα-helixtrans-82.7-53.7172.3177.30000109.8W21 V22 Y36 R72 L73 W74 K78 K79 F80W21-V76 HydrophobicContact CH2-CB 3.73Å; W21-V76 HydrophobicContact CH2-CG1 3.75Å; W21-V76 HydrophobicContact CH2-CG2 4.29Å; W21-V76 HydrophobicContact CZ2-CB 4.08Å; W21-V76 HydrophobicContact CZ2-CG1 3.67Å; W21-V76 HydrophobicContact CZ2-CG2 4.42Å; V22-V76 HydrophobicContact CG2-CG1 4.38Å; Y36-V76 HydrophobicContact CD1-CG2 4.38Å; Y36-V76 HydrophobicContact CE1-CG2 3.66Å; Y36-V76 HydrophobicContact CE2-CG2 4.42Å; R72-V76 PolarHBondContact O-N 3.28Å; L73-V76 PolarHBondContact O-N 3.11Å; L73-V76 VanDerWaalsContact O-N 3.09Å; W74-V76 PolarHBondContact O-N 3.06Å; V76-K78 VanDerWaalsContact C-N 3.3Å; V76-K78 PolarHBondContact O-N 3.24Å; V76-K79 WeakPolarHBondContact O-CB 3.33Å; V76-K79 PolarHBondContact O-N 3.3Å; V76-K79 VanDerWaalsContact O-N 3.09Å; V76-F80 HydrophobicContact CG1-CE2 3.81Å; V76-F80 VanDerWaalsContact O-CD2 3.28Å; V76-F80 WeakPolarHBondContact O-CD2 3.43Å
77A91.7Very high83.3Confident0 Ų064.2 Ų64.20%032%0.322CS..Hα-helixtrans-55.7-42.4-177.400000112.8V22 W61 L73 W74 K79 F80 L81V22-A77 HydrophobicContact CG1-CB 4.15Å; W61-A77 HydrophobicContact CB-CB 4.32Å; W61-A77 HydrophobicContact CD2-CB 3.45Å; W61-A77 VanDerWaalsContact CD2-CB 3.45Å; W61-A77 HydrophobicContact CE3-CB 3.78Å; W61-A77 HydrophobicContact CG-CB 3.68Å; W61-A77 HydrophobicContact CZ2-CB 4.32Å; W61-A77 HydrophobicContact CZ3-CB 4.35Å; L73-A77 PolarHBondContact O-N 3.35Å; W74-A77 PolarHBondContact O-N 3.23Å; A77-K79 PolarHBondContact O-N 3.3Å; A77-K79 VanDerWaalsContact O-N 3.11Å; A77-F80 PolarHBondContact O-N 3.24Å; A77-L81 HydrophobicContact CB-CD1 4.34Å; A77-L81 WeakPolarHBondContact O-CG 3.25Å; A77-L81 PolarHBondContact O-N 3.43Å; A77-L81 VanDerWaalsContact O-N 3.13Å
78K90.2Very high81.5Confident73 Ų7361.5 Ų61.532%0.31732%0.317SS..Hα-helixtrans-59.2-27.3-17977.1-174.5-174.3-1750113.8W74 N75 V76 F80 L81 I82W74-K78 HydrophobicContact CD2-CB 4.02Å; W74-K78 HydrophobicContact CE3-CB 4.06Å; W74-K78 HydrophobicContact CH2-CB 3.6Å; W74-K78 HydrophobicContact CZ2-CB 3.57Å; W74-K78 HydrophobicContact CZ2-CD 4.28Å; W74-K78 HydrophobicContact CZ3-CB 3.87Å; W74-K78 VanDerWaalsContact O-CB 3.29Å; W74-K78 WeakPolarHBondContact O-CB 3.45Å; W74-K78 WeakPolarHBondContact O-CG 3.47Å; W74-K78 PolarHBondContact O-N 2.77Å; N75-K78 WeakPolarHBondContact OD1-CE 3.46Å; N75-K78 PolarHBondContact OD1-NZ 3.16Å; V76-K78 VanDerWaalsContact C-N 3.3Å; V76-K78 PolarHBondContact O-N 3.24Å; K78-F80 PolarHBondContact O-N 2.77Å; K78-L81 PolarHBondContact O-N 3.38Å; K78-I82 HydrophobicContact CB-CD1 3.93Å; K78-I82 WeakPolarHBondContact O-CB 3.17Å; K78-I82 WeakPolarHBondContact O-CG1 3.36Å; K78-I82 PolarHBondContact O-N 2.95Å
79K85.5Confident79.9Confident140 Ų14059 Ų5961%0.60931%0.307SS*.Hα-helixtrans-65.7-29.4177.4-62.7175.9-177.8175.90111.8N75 V76 A77 P83N75-K79 WeakPolarHBondContact O-CE 3.06Å; V76-K79 WeakPolarHBondContact O-CB 3.33Å; V76-K79 PolarHBondContact O-N 3.3Å; V76-K79 VanDerWaalsContact O-N 3.09Å; A77-K79 PolarHBondContact O-N 3.3Å; A77-K79 VanDerWaalsContact O-N 3.11Å; K79-P83 WeakPolarHBondContact O-CD 3.41Å
80F82.4Confident78.4Confident46 Ų4658.4 Ų58.420%0.20231%0.308CS..Hα-helixtrans-92.9-25.4178.9-54.6-78.6000112.9M16 I18 V22 V76 A77 K78 P83M16-F80 HydrophobicContact CE-CD1 4.12Å; M16-F80 HydrophobicContact CG-CD1 3.84Å; M16-F80 HydrophobicContact CG-CE1 3.5Å; M16-F80 VanDerWaalsContact CG-CE1 3.5Å; M16-F80 HydrophobicContact SD-CD1 3.46Å; M16-F80 WeakPolarHBondContact SD-CD1 3.07Å; M16-F80 HydrophobicContact SD-CE1 3.61Å; I18-F80 HydrophobicContact CB-CD1 4.43Å; I18-F80 HydrophobicContact CB-CE1 4.44Å; I18-F80 HydrophobicContact CD1-CD1 4.33Å; I18-F80 HydrophobicContact CG1-CD1 3.69Å; I18-F80 HydrophobicContact CG1-CE1 3.99Å; I18-F80 HydrophobicContact CG1-CG 4.36Å; I18-F80 HydrophobicContact CG2-CD1 4.45Å; I18-F80 HydrophobicContact CG2-CG 4.45Å; V22-F80 HydrophobicContact CG1-CD2 4.23Å; V22-F80 HydrophobicContact CG2-CE2 4.41Å; V76-F80 HydrophobicContact CG1-CE2 3.81Å; V76-F80 VanDerWaalsContact O-CD2 3.28Å; V76-F80 WeakPolarHBondContact O-CD2 3.43Å; A77-F80 PolarHBondContact O-N 3.24Å; K78-F80 PolarHBondContact O-N 2.77Å; F80-P83 WeakPolarHBondContact O-CD 3.21Å; F80-P83 WeakPolarHBondContact O-CG 3.26Å
81L81.3Confident77.1Confident37 Ų3764.6 Ų64.619%0.19434%0.337CS..Hα-helixtrans-88.2-27.1-178-62.3173.3000114.1Y57 T58 W61 W74 A77 K78Y57-L81 HydrophobicContact CD2-CD2 3.8Å; Y57-L81 HydrophobicContact CE2-CD2 3.74Å; T58-L81 HydrophobicContact CG2-CD2 4.08Å; W61-L81 HydrophobicContact CB-CD1 3.3Å; W61-L81 HydrophobicContact CG-CD1 3.86Å; W74-L81 HydrophobicContact CZ3-CD1 4.01Å; A77-L81 HydrophobicContact CB-CD1 4.34Å; A77-L81 WeakPolarHBondContact O-CG 3.25Å; A77-L81 PolarHBondContact O-N 3.43Å; A77-L81 VanDerWaalsContact O-N 3.13Å; K78-L81 PolarHBondContact O-N 3.38Å
82I74.2Confident75.6Confident94 Ų9467.8 Ų67.848%0.48234%0.342SS..  trans-110.512.9-176.2-42.5171.2000114.1W74 K78 F84W74-I82 HydrophobicContact CH2-CD1 4.21Å; W74-I82 HydrophobicContact CZ2-CD1 4.34Å; K78-I82 HydrophobicContact CB-CD1 3.93Å; K78-I82 WeakPolarHBondContact O-CB 3.17Å; K78-I82 WeakPolarHBondContact O-CG1 3.36Å; K78-I82 PolarHBondContact O-N 2.95Å; I82-F84 PolarHBondContact O-N 3.41Å
83P64.3Low74.4Confident45 Ų4565.2 Ų65.229%0.29234%0.344SS..  trans-66.995.8170.527.2-26.3000106.7K79 F80 P85K79-P83 WeakPolarHBondContact O-CD 3.41Å; F80-P83 WeakPolarHBondContact O-CD 3.21Å; F80-P83 WeakPolarHBondContact O-CG 3.26Å; P83-P85 WeakPolarHBondContact O-CD 3.45Å; P83-P85 VanDerWaalsContact O-N 3.15Å
84F57.9Low73.4Confident123 Ų12371.8 Ų71.854%0.53937%0.373SS..  trans-69.5112.3-177.7-141.7-79000105.2I82 S86 S87 C88I82-F84 PolarHBondContact O-N 3.41Å; F84-S86 WeakPolarHBondContact CD1-OG 3.14Å; F84-S86 WeakPolarHBondContact CE1-OG 3.3Å; F84-S86 PolarHBondContact O-N 3.48Å; F84-S87 WeakPolarHBondContact CB-OG 3.21Å; F84-S87 PolarHBondContact O-N 2.74Å; F84-S87 VanDerWaalsContact O-N 3.1Å; F84-S87 PolarHBondContact O-OG 3.47Å; F84-C88 PolarHBondContact O-N 2.92Å
85P57.5Low72.5Confident85 Ų8573 Ų7355%0.55239%0.386SS*.Hα-helixtrans-54.9-34.8-179.7-2535.5000110.2P83 L89P83-P85 WeakPolarHBondContact O-CD 3.45Å; P83-P85 VanDerWaalsContact O-N 3.15Å; P85-L89 VanDerWaalsContact O-CB 3.25Å; P85-L89 WeakPolarHBondContact O-CB 3.36Å; P85-L89 WeakPolarHBondContact O-CD1 3.27Å; P85-L89 WeakPolarHBondContact O-CG 3.47Å; P85-L89 PolarHBondContact O-N 3.2Å
86S59.2Low71.7Confident56 Ų5672.5 Ų72.539%0.39239%0.392SS..Hα-helixtrans-75.2-32.817986.90000115.5F84 L89 V90F84-S86 WeakPolarHBondContact CD1-OG 3.14Å; F84-S86 WeakPolarHBondContact CE1-OG 3.3Å; F84-S86 PolarHBondContact O-N 3.48Å; S86-L89 WeakPolarHBondContact O-CB 2.88Å; S86-L89 PolarHBondContact O-N 3.37Å; S86-V90 WeakPolarHBondContact O-CB 3.32Å; S86-V90 WeakPolarHBondContact O-CG2 3.35Å; S86-V90 PolarHBondContact O-N 3.27Å
87S58.9Low71.1Confident52 Ų5275.5 Ų75.536%0.36441%0.41SS..Hα-helixtrans-71.9-41.9179.7680000110.7F84 L89 V90 E91F84-S87 WeakPolarHBondContact CB-OG 3.21Å; F84-S87 PolarHBondContact O-N 2.74Å; F84-S87 VanDerWaalsContact O-N 3.1Å; F84-S87 PolarHBondContact O-OG 3.47Å; S87-L89 VanDerWaalsContact C-N 3.33Å; S87-L89 PolarHBondContact O-N 2.89Å; S87-V90 PolarHBondContact O-N 2.97Å; S87-E91 WeakPolarHBondContact O-CG 3.36Å; S87-E91 PolarHBondContact O-N 2.79Å
88C58.3Low70.5Confident41 Ų4179.3 Ų79.328%0.27743%0.433SS..Hα-helixtrans-63.2-38.3170.6-660000112F84 R92F84-C88 PolarHBondContact O-N 2.92Å; C88-R92 PolarHBondContact O-N 3.3Å
89L61.2Low69.9Low77 Ų7780.3 Ų80.340%0.40344%0.442SS..Hα-helixtrans-61-44.1172.9-86167.7000112.4Y10 P85 S86 S87 G93Y10-L89 WeakPolarHBondContact OH-CD2 3.45Å; Y10-L89 WeakPolarHBondContact OH-CG 3.49Å; P85-L89 VanDerWaalsContact O-CB 3.25Å; P85-L89 WeakPolarHBondContact O-CB 3.36Å; P85-L89 WeakPolarHBondContact O-CD1 3.27Å; P85-L89 WeakPolarHBondContact O-CG 3.47Å; P85-L89 PolarHBondContact O-N 3.2Å; S86-L89 WeakPolarHBondContact O-CB 2.88Å; S86-L89 PolarHBondContact O-N 3.37Å; S87-L89 VanDerWaalsContact C-N 3.33Å; S87-L89 PolarHBondContact O-N 2.89Å; L89-G93 VanDerWaalsContact O-CA 3.26Å; L89-G93 WeakPolarHBondContact O-CA 3.42Å; L89-G93 PolarHBondContact O-N 2.9Å
90V65.6Low69.7Low77 Ų7778.7 Ų78.747%0.46744%0.439SS..Hα-helixtrans-66.5-57.6-179.5165.50000108.8S86 S87 R92 G93 F94S86-V90 WeakPolarHBondContact O-CB 3.32Å; S86-V90 WeakPolarHBondContact O-CG2 3.35Å; S86-V90 PolarHBondContact O-N 3.27Å; S87-V90 PolarHBondContact O-N 2.97Å; V90-R92 PolarHBondContact O-N 2.61Å; V90-G93 PolarHBondContact O-N 3.37Å; V90-F94 HydrophobicContact CB-CD2 4.41Å; V90-F94 HydrophobicContact CG1-CD2 3.6Å; V90-F94 HydrophobicContact CG1-CE2 3.75Å; V90-F94 WeakPolarHBondContact O-CB 3.09Å; V90-F94 WeakPolarHBondContact O-CD2 3.36Å; V90-F94 PolarHBondContact O-N 3.01Å
91E67.4Low69.5Low141 Ų14181.3 Ų81.366%0.65946%0.455SS*.Hα-helixtrans-54.8-48.9-176.4-72.4177.5177.300112.7S87 S95S87-E91 WeakPolarHBondContact O-CG 3.36Å; S87-E91 PolarHBondContact O-N 2.79Å; E91-S95 WeakPolarHBondContact O-CB 3.26Å; E91-S95 PolarHBondContact O-N 3.05Å
92R65.2Low69.4Low122 Ų12281.2 Ų81.246%0.4646%0.463SS..Hα-helixtrans-77.2-35.7180-69.5-166.3176.8153.89.4113.1R9 D12 C88 V90 F94 S95 A96R9-R92 PolarHBondContact O-NH1 3.48Å; D12-R92 IonicContact OD1-NH1 3.76Å; D12-R92 PolarHBondContact OD1-NH1 3.28Å; D12-R92 IonicContact OD2-CZ 3.28Å; D12-R92 IonicContact OD2-NH1 3.62Å; D12-R92 PolarHBondContact OD2-NH1 2.96Å; D12-R92 IonicContact OD2-NH2 3.69Å; D12-R92 PolarHBondContact OD2-NH2 2.98Å; C88-R92 PolarHBondContact O-N 3.3Å; V90-R92 PolarHBondContact O-N 2.61Å; R92-F94 VanDerWaalsContact C-N 3.31Å; R92-F94 PolarHBondContact O-N 3.46Å; R92-S95 WeakPolarHBondContact O-CB 3.19Å; R92-S95 PolarHBondContact O-N 2.82Å; R92-A96 PolarHBondContact O-N 3.23Å
93G68.7Low69.5Low38 Ų3883.9 Ų83.939%0.39247%0.471SS..Hα-helixtrans-59.9-43.117400000111.7L89 V90 V97L89-G93 VanDerWaalsContact O-CA 3.26Å; L89-G93 WeakPolarHBondContact O-CA 3.42Å; L89-G93 PolarHBondContact O-N 2.9Å; V90-G93 PolarHBondContact O-N 3.37Å; G93-V97 WeakPolarHBondContact O-CG2 3.49Å; G93-V97 PolarHBondContact O-N 2.85Å
94F73.4Confident69.9Low139 Ų13988 Ų8861%0.6149%0.485SS*.Hα-helixtrans-67.5-40.5172.5-84.1-82.8000111.9V90 R92 A96 V97 T98V90-F94 HydrophobicContact CB-CD2 4.41Å; V90-F94 HydrophobicContact CG1-CD2 3.6Å; V90-F94 HydrophobicContact CG1-CE2 3.75Å; V90-F94 WeakPolarHBondContact O-CB 3.09Å; V90-F94 WeakPolarHBondContact O-CD2 3.36Å; V90-F94 PolarHBondContact O-N 3.01Å; R92-F94 VanDerWaalsContact C-N 3.31Å; R92-F94 PolarHBondContact O-N 3.46Å; F94-A96 VanDerWaalsContact C-N 3.34Å; F94-A96 PolarHBondContact O-N 3.18Å; F94-V97 WeakPolarHBondContact O-CB 3.43Å; F94-V97 PolarHBondContact O-N 3.27Å; F94-V97 VanDerWaalsContact O-N 3.16Å; F94-T98 PolarHBondContact O-N 3.03Å; F94-T98 PolarHBondContact O-OG1 3.42Å
95S76.3Confident70.2Confident57 Ų5789.4 Ų89.440%0.39949%0.493SS..Hα-helixtrans-58.7-42.5175.5-167.90000112.8E91 R92 V97 T98 D99E91-S95 WeakPolarHBondContact O-CB 3.26Å; E91-S95 PolarHBondContact O-N 3.05Å; R92-S95 WeakPolarHBondContact O-CB 3.19Å; R92-S95 PolarHBondContact O-N 2.82Å; S95-V97 VanDerWaalsContact C-N 3.31Å; S95-V97 PolarHBondContact O-N 3.34Å; S95-T98 WeakPolarHBondContact CA-OG1 3.46Å; S95-T98 PolarHBondContact O-N 3.03Å; S95-T98 PolarHBondContact O-OG1 3.11Å; S95-D99 VanDerWaalsContact O-CG 3.31Å; S95-D99 PolarHBondContact O-N 2.97Å
96A76.6Confident70.5Confident61 Ų6190.1 Ų90.150%0.50450%0.496SS..Hα-helixtrans-64.1-37.4177.200000112R92 F94 L100R92-A96 PolarHBondContact O-N 3.23Å; F94-A96 VanDerWaalsContact C-N 3.34Å; F94-A96 PolarHBondContact O-N 3.18Å; A96-L100 WeakPolarHBondContact O-CB 3.41Å; A96-L100 PolarHBondContact O-N 3.43Å; A96-L100 VanDerWaalsContact O-N 3.13Å
97V77.9Confident70.8Confident81 Ų8191.2 Ų91.249%0.49151%0.508SS..Hα-helixtrans-66.1-42.4174.7172.70000111G93 F94 S95 L100 L101G93-V97 WeakPolarHBondContact O-CG2 3.49Å; G93-V97 PolarHBondContact O-N 2.85Å; F94-V97 WeakPolarHBondContact O-CB 3.43Å; F94-V97 PolarHBondContact O-N 3.27Å; F94-V97 VanDerWaalsContact O-N 3.16Å; S95-V97 VanDerWaalsContact C-N 3.31Å; S95-V97 PolarHBondContact O-N 3.34Å; V97-L100 PolarHBondContact O-N 3.27Å; V97-L101 HydrophobicContact CG1-CD1 3.88Å; V97-L101 HydrophobicContact CG1-CG 4.5Å; V97-L101 VanDerWaalsContact O-CG 3.32Å; V97-L101 WeakPolarHBondContact O-CG 3.48Å; V97-L101 PolarHBondContact O-N 3.13Å
98T78.2Confident70.8Confident80 Ų8099 Ų9949%0.49153%0.531SS..Hα-helixtrans-66.3-38.8177.9520000112.4F94 S95 L100 L101 G102F94-T98 PolarHBondContact O-N 3.03Å; F94-T98 PolarHBondContact O-OG1 3.42Å; S95-T98 WeakPolarHBondContact CA-OG1 3.46Å; S95-T98 PolarHBondContact O-N 3.03Å; S95-T98 PolarHBondContact O-OG1 3.11Å; T98-L100 VanDerWaalsContact C-N 3.34Å; T98-L100 PolarHBondContact O-N 3.46Å; T98-L101 PolarHBondContact O-N 3.17Å; T98-G102 PolarHBondContact O-N 3.5Å
99D78.7Confident70.5Confident94 Ų94110.6 Ų110.650%0.50357%0.569SS.*Hα-helixtrans-64.8-39.2176.3-70-16.4000111.7S95 K103S95-D99 VanDerWaalsContact O-CG 3.31Å; S95-D99 PolarHBondContact O-N 2.97Å; D99-K103 WeakPolarHBondContact O-CB 3.3Å; D99-K103 VanDerWaalsContact O-CG 3.3Å; D99-K103 WeakPolarHBondContact O-CG 3.39Å; D99-K103 PolarHBondContact O-N 3.25Å
100L80Confident71Confident106 Ų106112.3 Ų112.356%0.55558%0.577SS**Hα-helixtrans-66.7-39.1176.4-170.769.8000111.9A96 V97 T98 K104A96-L100 WeakPolarHBondContact O-CB 3.41Å; A96-L100 PolarHBondContact O-N 3.43Å; A96-L100 VanDerWaalsContact O-N 3.13Å; V97-L100 PolarHBondContact O-N 3.27Å; T98-L100 VanDerWaalsContact C-N 3.34Å; T98-L100 PolarHBondContact O-N 3.46Å; L100-K104 PolarHBondContact O-N 3.39Å
101L78.6Confident71.3Confident102 Ų102114.2 Ų114.253%0.53458%0.583SS.*Hα-helixtrans-66.6-45.4175.5-73.3165.7000111.5V97 T98 K103 K104 E105V97-L101 HydrophobicContact CG1-CD1 3.88Å; V97-L101 HydrophobicContact CG1-CG 4.5Å; V97-L101 VanDerWaalsContact O-CG 3.32Å; V97-L101 WeakPolarHBondContact O-CG 3.48Å; V97-L101 PolarHBondContact O-N 3.13Å; T98-L101 PolarHBondContact O-N 3.17Å; L101-K103 PolarHBondContact O-N 3.37Å; L101-K104 PolarHBondContact O-N 3.47Å; L101-K104 VanDerWaalsContact O-N 3.11Å; L101-E105 PolarHBondContact O-N 3.25Å
102G79.4Confident71.5Confident35 Ų35112.7 Ų112.736%0.36158%0.579SS.*Hα-helixtrans-65.2-34.7178.500000113.7T98 K104 E105 T106T98-G102 PolarHBondContact O-N 3.5Å; G102-K104 VanDerWaalsContact C-N 3.33Å; G102-K104 PolarHBondContact O-N 3.32Å; G102-E105 PolarHBondContact O-N 3.24Å; G102-T106 PolarHBondContact O-N 3.41Å; G102-T106 PolarHBondContact O-OG1 2.88Å
103K76.8Confident71.8Confident149 Ų149112.1 Ų112.165%0.64859%0.586SS**Hα-helixtrans-65.7-33.7172-76.1174.6-178.6175.30112.6D99 L101 T106 A107D99-K103 WeakPolarHBondContact O-CB 3.3Å; D99-K103 VanDerWaalsContact O-CG 3.3Å; D99-K103 WeakPolarHBondContact O-CG 3.39Å; D99-K103 PolarHBondContact O-N 3.25Å; L101-K103 PolarHBondContact O-N 3.37Å; K103-T106 PolarHBondContact O-OG1 3.3Å; K103-A107 WeakPolarHBondContact O-CB 3.23Å; K103-A107 PolarHBondContact O-N 3.03Å
104K72.2Confident72Confident133 Ų133116.8 Ų116.858%0.57860%0.598SS**Hα-helixtrans-71.6-36.5177-78.5-177.2177.3179.90112.5L100 L101 G102 A107L100-K104 PolarHBondContact O-N 3.39Å; L101-K104 PolarHBondContact O-N 3.47Å; L101-K104 VanDerWaalsContact O-N 3.11Å; G102-K104 VanDerWaalsContact C-N 3.33Å; G102-K104 PolarHBondContact O-N 3.32Å; K104-A107 PolarHBondContact O-N 3.5Å
105E65.1Low72Confident152 Ų152115.3 Ų115.371%0.7160%0.597SS**Hα-helixtrans-69.9-36.6177.5-77.7-169.8144.800113.1L101 G102 Y108L101-E105 PolarHBondContact O-N 3.25Å; G102-E105 PolarHBondContact O-N 3.24Å; E105-Y108 PolarHBondContact O-N 3.46Å
106T63.9Low71.6Confident100 Ų100119.4 Ų119.461%0.61361%0.611SS**Hα-helixtrans-74.1-24.7176.642.90000113.3G102 K103 Y108G102-T106 PolarHBondContact O-N 3.41Å; G102-T106 PolarHBondContact O-OG1 2.88Å; K103-T106 PolarHBondContact O-OG1 3.3Å; T106-Y108 VanDerWaalsContact C-N 3.27Å; T106-Y108 PolarHBondContact O-N 2.71Å
107A65.3Low71.3Confident79 Ų79123.9 Ų123.965%0.65362%0.62SS**THydrogen-bonded Turntrans-74.5-14.5173.500000113.9K103 K104K103-A107 WeakPolarHBondContact O-CB 3.23Å; K103-A107 PolarHBondContact O-N 3.03Å; K104-A107 PolarHBondContact O-N 3.5Å
108Y58.1Low70.7Confident215 Ų215127.5 Ų127.584%0.84363%0.63SS**THydrogen-bonded Turntrans-106.17.3178.7-90.5-85.3000113.9E105 T106E105-Y108 PolarHBondContact O-N 3.46Å; T106-Y108 VanDerWaalsContact C-N 3.27Å; T106-Y108 PolarHBondContact O-N 2.71Å
109R52.5Low70Confident285 Ų285131.8 Ų131.8100%1.07564%0.643SS**  trans-108.90165.5-75.9-169.6-169.8-145.83.8110.2

Retrieved 109 of 109 residues in 36.1 ms (Link to these results)

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