A0A068BUX7_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A068BUX7, Species HUMAN (Homo sapiens, Human), Gene ATP6, Length 226 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
1M56.2Low74.1Confident200 Ų20097.3 Ų97.399%0.98553%0.525SS*.  0-41.50-75.217611800112.5E3 N4M1-E3 PolarHBondContact O-N 3.35Å; M1-N4 PolarHBondContact O-N 3.02Å
2N53.2Low74.9Confident140 Ų14092.4 Ų92.475%0.74950%0.502SS*.Hα-helixtrans-58-42.2-178.9-83.518.4000115.2N4N2-N4 VanDerWaalsContact C-N 3.33Å; N2-N4 PolarHBondContact O-N 3.44Å
3E61.8Low75.9Confident156 Ų15692.6 Ų92.673%0.72951%0.508SS*.Hα-helixtrans-70.9-27.9-179.4-67.2-92.8139.200113M1 L5 F6 A7M1-E3 PolarHBondContact O-N 3.35Å; E3-L5 VanDerWaalsContact C-N 3.31Å; E3-L5 PolarHBondContact O-N 3.4Å; E3-F6 PolarHBondContact O-N 2.95Å; E3-A7 PolarHBondContact O-N 3.5Å; E3-A7 VanDerWaalsContact O-N 3.15Å
4N75.1Confident76.7Confident114 Ų11494.1 Ų94.161%0.6151%0.514SS*.Hα-helixtrans-71.1-28.4-173.3-64.96.8000112.4M1 N2M1-N4 PolarHBondContact O-N 3.02Å; N2-N4 VanDerWaalsContact C-N 3.33Å; N2-N4 PolarHBondContact O-N 3.44Å
5L76.1Confident77.3Confident42 Ų4299.3 Ų99.322%0.2254%0.54CS..Hα-helixtrans-69.2-36178-68.6176.6000112E3 H172 L173E3-L5 VanDerWaalsContact C-N 3.31Å; E3-L5 PolarHBondContact O-N 3.4Å; L5-H172 VanDerWaalsContact CD2-CE1 3.4Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.43Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.3Å; L5-L173 HydrophobicContact CD1-CD2 4.11Å; L5-L173 HydrophobicContact CD2-CD2 4.4Å
6F82.2Confident77.7Confident118 Ų11897.4 Ų97.452%0.51855%0.55SS.*Hα-helixtrans-92.3-9-177.5-66.4-75.8000113.6E3 S8 F9 L169E3-F6 PolarHBondContact O-N 2.95Å; F6-S8 PolarHBondContact O-N 3.19Å; F6-S8 VanDerWaalsContact O-N 3.13Å; F6-F9 HydrophobicContact CD1-CD2 4.08Å; F6-F9 HydrophobicContact CD1-CE2 4.49Å; F6-F9 PolarHBondContact O-N 3.28Å; F6-L169 HydrophobicContact CD1-CD2 4.36Å; F6-L169 HydrophobicContact CE1-CD1 4.05Å; F6-L169 HydrophobicContact CE1-CD2 4.04Å; F6-L169 HydrophobicContact CZ-CD2 4.48Å
7A80.1Confident78.2Confident53 Ų5399.2 Ų99.244%0.43856%0.557SS.*G310 helixtrans-55.5-32.1-179.500000113.2E3 F9 I10E3-A7 PolarHBondContact O-N 3.5Å; E3-A7 VanDerWaalsContact O-N 3.15Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 2.73Å; A7-I10 PolarHBondContact O-N 3.44Å
8S79.1Confident78.6Confident60 Ų6098.1 Ų98.142%0.4256%0.555SS.*G310 helixtrans-68.7-20.5176.557.30000114.2F6 F92F6-S8 PolarHBondContact O-N 3.19Å; F6-S8 VanDerWaalsContact O-N 3.13Å; S8-F92 WeakPolarHBondContact O-CD2 3.45Å
9F82.5Confident79Confident25 Ų2594.8 Ų94.811%0.1154%0.537CS..G310 helixtrans-93.7-10.8178.7-60.5-69.7000113.1F6 A7 A11 A96 Q97 T165 H168 L169F6-F9 HydrophobicContact CD1-CD2 4.08Å; F6-F9 HydrophobicContact CD1-CE2 4.49Å; F6-F9 PolarHBondContact O-N 3.28Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 2.73Å; F9-A11 PolarHBondContact O-N 3.38Å; F9-A96 HydrophobicContact CD1-CB 3.79Å; F9-A96 HydrophobicContact CE1-CB 3.97Å; F9-Q97 PolarHBondContact O-NE2 3.46Å; F9-T165 HydrophobicContact CD1-CG2 4.33Å; F9-T165 HydrophobicContact CE1-CG2 3.97Å; F9-H168 HydrophobicContact CE1-CB 4.19Å; F9-H168 HydrophobicContact CZ-CB 3.77Å; F9-L169 HydrophobicContact CE2-CD1 4.44Å; F9-L169 HydrophobicContact CE2-CD2 3.74Å; F9-L169 HydrophobicContact CE2-CG 3.78Å; F9-L169 HydrophobicContact CZ-CD2 4.47Å; F9-L169 HydrophobicContact CZ-CG 4.06Å
10I84.8Confident79.4Confident109 Ų10991 Ų9156%0.55952%0.518SS*.SBendtrans-69.2130.3178.2-59175.5000108.5A7 P12A7-I10 PolarHBondContact O-N 3.44Å; I10-P12 WeakPolarHBondContact O-CD 3.44Å
11A83.7Confident79.7Confident53 Ų5390.6 Ų90.644%0.43852%0.517SS..PPolyproline II helixtrans-59.8121.6-179.500000110.4F9 T13F9-A11 PolarHBondContact O-N 3.38Å; A11-T13 PolarHBondContact O-N 3.32Å
12P84.1Confident81.1Confident39 Ų3986.8 Ų86.825%0.25350%0.5SS..PPolyproline II helixtrans-71124.4-174.326.3-32.9000110.3I10 V19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.44Å; P12-V19 HydrophobicContact CB-CB 4.39Å; P12-V19 HydrophobicContact CG-CB 4.44Å; P12-V19 PolarHBondContact O-N 2.99Å; P12-I23 HydrophobicContact CG-CD1 3.69Å; P12-F92 HydrophobicContact CG-CB 4.39Å; P12-F92 HydrophobicContact CG-CD1 4.19Å; P12-F92 HydrophobicContact CG-CD2 4.45Å; P12-F92 HydrophobicContact CG-CG 4.09Å
13T87.3Confident82.8Confident95 Ų9582.5 Ų82.558%0.58348%0.476SS*.EExtended strand (participates in β ladder)trans-119.3125.7170.853.90000108.5A11 L17A11-T13 PolarHBondContact O-N 3.32Å; T13-L17 VanDerWaalsContact CA-O 3.29Å; T13-L17 WeakPolarHBondContact CA-O 3.23Å
14I87.9Confident84Confident113 Ų11377.4 Ų77.458%0.57945%0.454SS*.EExtended strand (participates in β ladder)trans-111.4123.2172.7-67.7175000106.2G16 L17 V19I14-G16 PolarHBondContact O-N 3.34Å; I14-G16 VanDerWaalsContact O-N 3.16Å; I14-L17 PolarHBondContact N-O 3Å; I14-L17 PolarHBondContact O-N 3.29Å; I14-V19 HydrophobicContact CB-CG2 3.61Å; I14-V19 HydrophobicContact CD1-CG2 3.78Å; I14-V19 HydrophobicContact CG1-CG2 3.61Å
15L85.6Confident84.6Confident173 Ų17377.6 Ų77.691%0.90645%0.454SS*.THydrogen-bonded Turntrans57.931175.4-129141.9000113.5L17L15-L17 VanDerWaalsContact C-N 3.3Å; L15-L17 PolarHBondContact O-N 3.34Å
16G84.1Confident85.2Confident69 Ų6980.2 Ų80.271%0.71146%0.464SS*.THydrogen-bonded Turntrans82.2-4.2-177.700000115.2I14I14-G16 PolarHBondContact O-N 3.34Å; I14-G16 VanDerWaalsContact O-N 3.16Å
17L85.4Confident85.5Confident127 Ų12774.8 Ų74.867%0.66544%0.44SS*.EExtended strand (participates in β ladder)trans-94.1136.4175.4-67170.6000111.2T13 I14 L15 V19T13-L17 VanDerWaalsContact CA-O 3.29Å; T13-L17 WeakPolarHBondContact CA-O 3.23Å; I14-L17 PolarHBondContact N-O 3Å; I14-L17 PolarHBondContact O-N 3.29Å; L15-L17 VanDerWaalsContact C-N 3.3Å; L15-L17 PolarHBondContact O-N 3.34Å; L17-V19 PolarHBondContact O-N 3.41Å; L17-V19 VanDerWaalsContact O-N 3.14Å
18P85.4Confident85.7Confident79 Ų7975.6 Ų75.651%0.51344%0.441SS..EExtended strand (participates in β ladder)trans-72.5106.1177.629.2-33.3000110.8A20 V21P18-A20 PolarHBondContact O-N 2.85Å; P18-V21 HydrophobicContact CG-CG2 4.45Å
19V87.1Confident86.1Confident37 Ų3779.1 Ų79.122%0.22446%0.455CS..THydrogen-bonded Turntrans-74.4-17.2177.81800000111.6P12 I14 L17 V21 L22 I23P12-V19 HydrophobicContact CB-CB 4.39Å; P12-V19 HydrophobicContact CG-CB 4.44Å; P12-V19 PolarHBondContact O-N 2.99Å; I14-V19 HydrophobicContact CB-CG2 3.61Å; I14-V19 HydrophobicContact CD1-CG2 3.78Å; I14-V19 HydrophobicContact CG1-CG2 3.61Å; L17-V19 PolarHBondContact O-N 3.41Å; L17-V19 VanDerWaalsContact O-N 3.14Å; V19-V21 PolarHBondContact O-N 3.32Å; V19-V21 VanDerWaalsContact O-N 3.08Å; V19-L22 WeakPolarHBondContact O-CB 3.38Å; V19-L22 PolarHBondContact O-N 3.35Å; V19-I23 HydrophobicContact CG1-CD1 4.46Å; V19-I23 HydrophobicContact CG1-CG1 4.46Å; V19-I23 PolarHBondContact O-N 3.37Å
20A85.9Confident86.3Confident18 Ų1881.7 Ų81.715%0.14947%0.469CS..Hα-helixtrans-50.7-34.7174.100000112.9P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 2.85Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 3.4Å; A20-I23 PolarHBondContact O-N 2.96Å; A20-I24 WeakPolarHBondContact O-CD1 3.03Å; A20-I24 VanDerWaalsContact O-CG1 3.23Å; A20-I24 WeakPolarHBondContact O-CG1 2.94Å; A20-I24 PolarHBondContact O-N 2.85Å; A20-F92 HydrophobicContact CB-CE1 4.34Å
21V85.4Confident86.5Confident82 Ų8279.2 Ų79.250%0.49746%0.456SS..Hα-helixtrans-62.7-42177.6-178.80000111.5P18 V19 I23 I24 L25P18-V21 HydrophobicContact CG-CG2 4.45Å; V19-V21 PolarHBondContact O-N 3.32Å; V19-V21 VanDerWaalsContact O-N 3.08Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.14Å; V21-I24 PolarHBondContact O-N 3.48Å; V21-L25 HydrophobicContact CG1-CD1 4.21Å; V21-L25 WeakPolarHBondContact O-CG 3.12Å; V21-L25 PolarHBondContact O-N 2.99Å
22L86.6Confident86.6Confident121 Ų12179.5 Ų79.563%0.63445%0.454SS*.Hα-helixtrans-66.8-37.5178.5-170.6138.9000111.3V19 A20 L25 F26V19-L22 WeakPolarHBondContact O-CB 3.38Å; V19-L22 PolarHBondContact O-N 3.35Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 3.4Å; L22-L25 PolarHBondContact O-N 3.44Å; L22-F26 PolarHBondContact O-N 2.98Å
23I87.8Confident86.7Confident49 Ų4984.1 Ų84.125%0.25148%0.482SS..Hα-helixtrans-66.6-41.3176.2-58174.1000110.7P12 V19 A20 V21 L25 F26 P27 F92 P94P12-I23 HydrophobicContact CG-CD1 3.69Å; V19-I23 HydrophobicContact CG1-CD1 4.46Å; V19-I23 HydrophobicContact CG1-CG1 4.46Å; V19-I23 PolarHBondContact O-N 3.37Å; A20-I23 PolarHBondContact O-N 2.96Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.14Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.25Å; I23-F26 WeakPolarHBondContact O-CB 3.37Å; I23-F26 PolarHBondContact O-N 3.11Å; I23-P27 WeakPolarHBondContact O-CD 3.48Å; I23-F92 HydrophobicContact CD1-CB 3.97Å; I23-F92 HydrophobicContact CD1-CD1 3.96Å; I23-F92 HydrophobicContact CD1-CG 4.34Å; I23-F92 HydrophobicContact CG2-CD1 4.47Å; I23-P94 HydrophobicContact CG2-CG 3.99Å
24I88.4Confident86.7Confident50 Ų5081.5 Ų81.526%0.25647%0.467SS..Hα-helixtrans-65-32.3176.5-68.6164000111.8A20 V21 F26 P27 F78 P94 M100A20-I24 WeakPolarHBondContact O-CD1 3.03Å; A20-I24 VanDerWaalsContact O-CG1 3.23Å; A20-I24 WeakPolarHBondContact O-CG1 2.94Å; A20-I24 PolarHBondContact O-N 2.85Å; V21-I24 PolarHBondContact O-N 3.48Å; I24-F26 VanDerWaalsContact C-N 3.34Å; I24-P27 WeakPolarHBondContact O-CD 3.45Å; I24-F78 HydrophobicContact CG2-CZ 4.3Å; I24-P94 HydrophobicContact CD1-CB 4.33Å; I24-P94 HydrophobicContact CG1-CB 3.73Å; I24-P94 HydrophobicContact CG1-CG 3.73Å; I24-M100 HydrophobicContact CD1-SD 4.25Å; I24-M100 HydrophobicContact CG2-CE 4.21Å
25L87.4Confident86.5Confident117 Ų11786.1 Ų86.161%0.61348%0.483SS*.Hα-helixtrans-81.2-10.2178.3-72.8173.4000114.2V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.21Å; V21-L25 WeakPolarHBondContact O-CG 3.12Å; V21-L25 PolarHBondContact O-N 2.99Å; L22-L25 PolarHBondContact O-N 3.44Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.25Å; L25-P28 WeakPolarHBondContact O-CD 3.35Å
26F88.7Confident86.5Confident97 Ų9786.7 Ų86.743%0.42547%0.474SS..Hα-helixtrans-70.9-42.4-176.7-169.2-98.1000114.9L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 2.98Å; I23-F26 WeakPolarHBondContact O-CB 3.37Å; I23-F26 PolarHBondContact O-N 3.11Å; I24-F26 VanDerWaalsContact C-N 3.34Å; F26-L29 VanDerWaalsContact O-CB 3.29Å; F26-L29 WeakPolarHBondContact O-CB 3.12Å; F26-L29 PolarHBondContact O-N 3.34Å; F26-L30 HydrophobicContact CD1-CD1 4.43Å; F26-L30 HydrophobicContact CE1-CD1 4.16Å; F26-L30 HydrophobicContact CE1-CD2 4.36Å; F26-L30 HydrophobicContact CE1-CG 4.31Å; F26-L85 HydrophobicContact CD1-CD2 3.33Å; F26-L85 HydrophobicContact CE1-CD2 3.55Å
27P88.1Confident86.2Confident4 Ų491.9 Ų91.93%0.02649%0.485CS..Hα-helixtrans-57.9-41.7-179.2-15.422.5000115.3I23 I24 L29 L30 T81 T82I23-P27 WeakPolarHBondContact O-CD 3.48Å; I24-P27 WeakPolarHBondContact O-CD 3.45Å; P27-L29 PolarHBondContact O-N 3.16Å; P27-L30 WeakPolarHBondContact O-CB 3.19Å; P27-L30 PolarHBondContact O-N 2.96Å; P27-L30 VanDerWaalsContact O-N 3.08Å; P27-T81 WeakPolarHBondContact CB-OG1 3.43Å; P27-T82 HydrophobicContact CB-CG2 4.32Å; P27-T82 HydrophobicContact CG-CG2 3.56Å
28P84.6Confident86.1Confident70 Ų7093.2 Ų93.246%0.45549%0.491SS..Hα-helixtrans-55.5-32.8173.1-27.333.5000114.2L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.35Å; P28-L30 PolarHBondContact O-N 3.12Å; P28-I31 PolarHBondContact O-N 2.97Å
29L87.6Confident86.2Confident135 Ų13590.8 Ų90.871%0.70747%0.474SS*.Hα-helixtrans-67.4-24.8179.7-170.466.4000112.4F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.29Å; F26-L29 WeakPolarHBondContact O-CB 3.12Å; F26-L29 PolarHBondContact O-N 3.34Å; P27-L29 PolarHBondContact O-N 3.16Å; L29-I31 PolarHBondContact O-N 3.29Å
30L87.2Confident86.3Confident78 Ų7894.4 Ų94.441%0.40849%0.492SS..THydrogen-bonded Turntrans-76.2-5.4178.3-66.2173.6000113.8F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CD1-CD1 4.43Å; F26-L30 HydrophobicContact CE1-CD1 4.16Å; F26-L30 HydrophobicContact CE1-CD2 4.36Å; F26-L30 HydrophobicContact CE1-CG 4.31Å; P27-L30 WeakPolarHBondContact O-CB 3.19Å; P27-L30 PolarHBondContact O-N 2.96Å; P27-L30 VanDerWaalsContact O-N 3.08Å; P28-L30 PolarHBondContact O-N 3.12Å; L30-P32 WeakPolarHBondContact O-CD 3.3Å; L30-Q46 PolarHBondContact O-NE2 3.1Å; L30-Q46 VanDerWaalsContact O-NE2 3.12Å; L30-L85 HydrophobicContact CD1-CD1 3.46Å; L30-L85 VanDerWaalsContact CD1-CD1 3.46Å; L30-L85 HydrophobicContact CD1-CD2 3.83Å; L30-L85 HydrophobicContact CD1-CG 4.12Å
31I87.7Confident86.4Confident57 Ų57103.6 Ų103.629%0.29252%0.523SS..SBendtrans-110.279.1-178.8-53.3159.2000108.3P28 L29 I77P28-I31 PolarHBondContact O-N 2.97Å; L29-I31 PolarHBondContact O-N 3.29Å; I31-I77 HydrophobicContact CD1-CG2 3.35Å; I31-I77 HydrophobicContact CG1-CG2 4.39Å
32P86.3Confident86.6Confident60 Ų60103.8 Ų103.839%0.3952%0.52SS..  trans-68.3136.2179.528-34.1000110.9L30 L42 I43L30-P32 WeakPolarHBondContact O-CD 3.3Å; P32-L42 HydrophobicContact CG-CD2 3.68Å; P32-I43 HydrophobicContact CB-CD1 4.48Å; P32-I43 HydrophobicContact CG-CD1 4.41Å; P32-I43 HydrophobicContact CG-CG1 4.04Å
33T86.6Confident86.8Confident136 Ų13698.8 Ų98.883%0.83449%0.494SS*.  trans-100.8132.8170.560.10000110.1
34S86.3Confident87Confident39 Ų3999.5 Ų99.527%0.27350%0.501SS..  trans-114.3149.2171.3550000111.5N39 I43S34-N39 WeakPolarHBondContact CB-OD1 3.31Å; S34-N39 PolarHBondContact OG-ND2 3.26Å; S34-N39 PolarHBondContact OG-OD1 3.04Å; S34-I43 WeakPolarHBondContact OG-CD1 3.4Å
35K84.4Confident87.1Confident210 Ų210100.9 Ų100.991%0.91351%0.512SS*.  trans-87.4-12.7177.2-62.9-179.3-179.3178.20113.3
36Y85.8Confident87.3Confident185 Ų18597.2 Ų97.273%0.72549%0.491SS*.SBendtrans-80.3154.2-174.9-60.6-72.8000111.8N39Y36-N39 PolarHBondContact O-ND2 3.42Å; Y36-N39 PolarHBondContact O-OD1 2.84Å
37L76.8Confident87.4Confident178 Ų17897.3 Ų97.393%0.93249%0.493SS*.SBendtrans-73.9-39.4176.5-169.276.4000111.4
38I82.9Confident87.6Confident156 Ų156105 Ų10580%0.852%0.522SS*.SBendtrans-100.4115.3174.2-58.8170.4000107.2
39N88.3Confident87.9Confident27 Ų27106.3 Ų106.314%0.14453%0.525CS..  trans-108.8168.5-172.4-70.9-26.7000112.5S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.31Å; S34-N39 PolarHBondContact OG-ND2 3.26Å; S34-N39 PolarHBondContact OG-OD1 3.04Å; Y36-N39 PolarHBondContact O-ND2 3.42Å; Y36-N39 PolarHBondContact O-OD1 2.84Å; N39-I43 HydrophobicContact CB-CB 3.92Å; N39-I43 HydrophobicContact CB-CG2 3.81Å; N39-T44 HydrophobicContact CB-CG2 4.12Å; N39-Q47 PolarHBondContact ND2-NE2 3.11Å
40N88.8Confident88Confident113 Ų113102.9 Ų102.960%0.60451%0.506SS*.  trans-63.1152.4171.6-166.2-0000110.7L42 I43 T44N40-L42 PolarHBondContact O-N 2.96Å; N40-L42 VanDerWaalsContact O-N 3.14Å; N40-I43 PolarHBondContact O-N 3.28Å; N40-T44 PolarHBondContact O-N 3.09Å
41R89.3Confident88.2Confident211 Ų211106.5 Ų106.580%0.79652%0.519SS*.Hα-helixtrans-49.1-44.2-179.1-65.5-177.2-179.6-178.40.4112.1I43 T44 T45R41-I43 PolarHBondContact O-N 3.27Å; R41-T44 WeakPolarHBondContact CA-OG1 3.27Å; R41-T44 PolarHBondContact O-N 3.29Å; R41-T44 PolarHBondContact O-OG1 3.43Å; R41-T45 WeakPolarHBondContact O-CG2 3.38Å; R41-T45 PolarHBondContact O-N 3.34Å; R41-T45 PolarHBondContact O-OG1 2.95Å
42L89.4Confident88.4Confident86 Ų86106.9 Ų106.945%0.4552%0.521SS..Hα-helixtrans-61.1-42.8178.6-174.7152.6000112.6P32 N40 T44 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.68Å; N40-L42 PolarHBondContact O-N 2.96Å; N40-L42 VanDerWaalsContact O-N 3.14Å; L42-T44 VanDerWaalsContact C-N 3.35Å; L42-T45 PolarHBondContact O-N 3.27Å; L42-T45 PolarHBondContact O-OG1 3.4Å; L42-Q46 VanDerWaalsContact CD2-CD 3.44Å; L42-Q46 HydrophobicContact CD2-CG 4.29Å; L42-Q46 VanDerWaalsContact CD2-NE2 3.32Å; L42-Q46 WeakPolarHBondContact O-CB 3.24Å; L42-Q46 VanDerWaalsContact O-CG 3.26Å; L42-Q46 WeakPolarHBondContact O-CG 3.35Å; L42-Q46 PolarHBondContact O-N 3.26Å
43I91.2Very high88.5Confident17 Ų17105.5 Ų105.59%0.08751%0.512CS..Hα-helixtrans-70.2-36.9178.6-60.3175.4000110P32 S34 N39 N40 R41 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.48Å; P32-I43 HydrophobicContact CG-CD1 4.41Å; P32-I43 HydrophobicContact CG-CG1 4.04Å; S34-I43 WeakPolarHBondContact OG-CD1 3.4Å; N39-I43 HydrophobicContact CB-CB 3.92Å; N39-I43 HydrophobicContact CB-CG2 3.81Å; N40-I43 PolarHBondContact O-N 3.28Å; R41-I43 PolarHBondContact O-N 3.27Å; I43-Q46 PolarHBondContact O-N 3.46Å; I43-Q47 HydrophobicContact CG2-CG 4.24Å; I43-Q47 WeakPolarHBondContact O-CB 3.41Å; I43-Q47 VanDerWaalsContact O-CG 3.27Å; I43-Q47 WeakPolarHBondContact O-CG 3.31Å; I43-Q47 PolarHBondContact O-N 3.45Å
44T91.2Very high88.6Confident63 Ų63100.5 Ų100.539%0.38748%0.482SS..Hα-helixtrans-65.1-39.8176.7620000112.5N39 N40 R41 L42 W48N39-T44 HydrophobicContact CB-CG2 4.12Å; N40-T44 PolarHBondContact O-N 3.09Å; R41-T44 WeakPolarHBondContact CA-OG1 3.27Å; R41-T44 PolarHBondContact O-N 3.29Å; R41-T44 PolarHBondContact O-OG1 3.43Å; L42-T44 VanDerWaalsContact C-N 3.35Å; T44-W48 VanDerWaalsContact O-CB 3.31Å; T44-W48 WeakPolarHBondContact O-CB 3.42Å; T44-W48 PolarHBondContact O-N 3.3Å
45T91.1Very high88.8Confident79 Ų79106.2 Ų106.249%0.48550%0.502SS..Hα-helixtrans-70.1-38.3176.356.30000111.5R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.38Å; R41-T45 PolarHBondContact O-N 3.34Å; R41-T45 PolarHBondContact O-OG1 2.95Å; L42-T45 PolarHBondContact O-N 3.27Å; L42-T45 PolarHBondContact O-OG1 3.4Å; T45-W48 PolarHBondContact O-N 3.01Å; T45-L49 PolarHBondContact O-N 2.91Å
46Q90.9Very high88.9Confident40 Ų40102.3 Ų102.319%0.18749%0.487CS..Hα-helixtrans-61.1-50172.7-75.3176.8-16.700111.9L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 3.1Å; L30-Q46 VanDerWaalsContact O-NE2 3.12Å; L42-Q46 VanDerWaalsContact CD2-CD 3.44Å; L42-Q46 HydrophobicContact CD2-CG 4.29Å; L42-Q46 VanDerWaalsContact CD2-NE2 3.32Å; L42-Q46 WeakPolarHBondContact O-CB 3.24Å; L42-Q46 VanDerWaalsContact O-CG 3.26Å; L42-Q46 WeakPolarHBondContact O-CG 3.35Å; L42-Q46 PolarHBondContact O-N 3.26Å; I43-Q46 PolarHBondContact O-N 3.46Å; Q46-W48 VanDerWaalsContact C-N 3.28Å; Q46-W48 PolarHBondContact O-N 3.2Å; Q46-L49 PolarHBondContact O-N 3.14Å; Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.26Å; Q46-I50 PolarHBondContact O-N 3.12Å
47Q90.2Very high88.9Confident99 Ų9994 Ų9446%0.46346%0.455SS..Hα-helixtrans-61-38.4177.8-74.1176.8-13.600112N39 I43 K51N39-Q47 PolarHBondContact ND2-NE2 3.11Å; I43-Q47 HydrophobicContact CG2-CG 4.24Å; I43-Q47 WeakPolarHBondContact O-CB 3.41Å; I43-Q47 VanDerWaalsContact O-CG 3.27Å; I43-Q47 WeakPolarHBondContact O-CG 3.31Å; I43-Q47 PolarHBondContact O-N 3.45Å; Q47-K51 WeakPolarHBondContact O-CB 3.45Å; Q47-K51 PolarHBondContact O-N 3.47Å
48W92.1Very high89.3Confident166 Ų16686.4 Ų86.463%0.62942%0.415SS*.Hα-helixtrans-63.8-46.2175.218083.3000112.1T44 T45 Q46 K51 L52T44-W48 VanDerWaalsContact O-CB 3.31Å; T44-W48 WeakPolarHBondContact O-CB 3.42Å; T44-W48 PolarHBondContact O-N 3.3Å; T45-W48 PolarHBondContact O-N 3.01Å; Q46-W48 VanDerWaalsContact C-N 3.28Å; Q46-W48 PolarHBondContact O-N 3.2Å; W48-K51 PolarHBondContact O-N 3.3Å; W48-L52 HydrophobicContact CD2-CD1 3.74Å; W48-L52 HydrophobicContact CD2-CG 4.42Å; W48-L52 VanDerWaalsContact CE2-CD1 3.45Å; W48-L52 HydrophobicContact CE3-CD1 3.85Å; W48-L52 HydrophobicContact CH2-CD1 3.45Å; W48-L52 VanDerWaalsContact CH2-CD1 3.45Å; W48-L52 HydrophobicContact CZ2-CD1 3.34Å; W48-L52 HydrophobicContact CZ2-CG 4.45Å; W48-L52 HydrophobicContact CZ3-CD1 3.71Å; W48-L52 WeakPolarHBondContact O-CG 3.43Å; W48-L52 PolarHBondContact O-N 3.44Å
49L90.9Very high89.4Confident98 Ų9882.8 Ų82.851%0.51341%0.408SS..Hα-helixtrans-59.7-46.2174.7-92.3162.3000112.4T45 Q46 K51 L52 T53T45-L49 PolarHBondContact O-N 2.91Å; Q46-L49 PolarHBondContact O-N 3.14Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 3.4Å; L49-L52 PolarHBondContact O-N 2.93Å; L49-T53 WeakPolarHBondContact O-CG2 3.49Å; L49-T53 PolarHBondContact O-N 3Å; L49-T53 PolarHBondContact O-OG1 3.49Å
50I91.4Very high88.9Confident62 Ų6287.8 Ų87.832%0.31843%0.432SS..Hα-helixtrans-61.2-43.9177.9-68.1169.4000110.6Q46 L52 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.26Å; Q46-I50 PolarHBondContact O-N 3.12Å; I50-L52 PolarHBondContact O-N 3.04Å; I50-T53 WeakPolarHBondContact CA-OG1 3.47Å; I50-T53 PolarHBondContact O-OG1 3.04Å; I50-S54 VanDerWaalsContact O-CB 3.23Å; I50-S54 WeakPolarHBondContact O-CB 3.2Å; I50-S54 PolarHBondContact O-N 3.16Å; I50-S54 PolarHBondContact O-OG 3.4Å; I50-S54 VanDerWaalsContact O-OG 3.12Å; I50-V73 HydrophobicContact CG2-CG1 3.9Å; I50-I77 HydrophobicContact CD1-CD1 4.04Å; I50-I77 HydrophobicContact CG1-CD1 3.7Å
51K91.3Very high88.6Confident155 Ų15582.7 Ų82.767%0.67441%0.405SS*.Hα-helixtrans-63.1-44.6178.6-173.3175.6-179.2178.30111.5Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3.45Å; Q47-K51 PolarHBondContact O-N 3.47Å; W48-K51 PolarHBondContact O-N 3.3Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 3.4Å; K51-S54 PolarHBondContact O-OG 3.12Å; K51-K55 WeakPolarHBondContact O-CB 3.42Å; K51-K55 PolarHBondContact O-N 2.84Å
52L91.4Very high88.2Confident65 Ų6577.9 Ų77.934%0.3440%0.395SS..Hα-helixtrans-63.4-51178.7-74.5178.5000112.6W48 L49 I50 S54 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.74Å; W48-L52 HydrophobicContact CD2-CG 4.42Å; W48-L52 VanDerWaalsContact CE2-CD1 3.45Å; W48-L52 HydrophobicContact CE3-CD1 3.85Å; W48-L52 HydrophobicContact CH2-CD1 3.45Å; W48-L52 VanDerWaalsContact CH2-CD1 3.45Å; W48-L52 HydrophobicContact CZ2-CD1 3.34Å; W48-L52 HydrophobicContact CZ2-CG 4.45Å; W48-L52 HydrophobicContact CZ3-CD1 3.71Å; W48-L52 WeakPolarHBondContact O-CG 3.43Å; W48-L52 PolarHBondContact O-N 3.44Å; L49-L52 PolarHBondContact O-N 2.93Å; I50-L52 PolarHBondContact O-N 3.04Å; L52-S54 PolarHBondContact O-N 3.25Å; L52-K55 PolarHBondContact O-N 3.21Å; L52-Q56 WeakPolarHBondContact O-CG 3.23Å; L52-Q56 PolarHBondContact O-N 3.13Å
53T88.5Confident87.8Confident31 Ų3179.2 Ų79.219%0.1941%0.407CS..Hα-helixtrans-60.4-46.6179.750.10000111.1L49 I50 K55 Q56 M57L49-T53 WeakPolarHBondContact O-CG2 3.49Å; L49-T53 PolarHBondContact O-N 3Å; L49-T53 PolarHBondContact O-OG1 3.49Å; I50-T53 WeakPolarHBondContact CA-OG1 3.47Å; I50-T53 PolarHBondContact O-OG1 3.04Å; T53-K55 VanDerWaalsContact C-N 3.31Å; T53-K55 PolarHBondContact O-N 2.77Å; T53-Q56 PolarHBondContact O-N 3.4Å; T53-M57 WeakPolarHBondContact O-CG 3.46Å; T53-M57 PolarHBondContact O-N 3.13Å
54S89.4Confident87.2Confident31 Ų3184.3 Ų84.322%0.21743%0.428CS..Hα-helixtrans-59.1-41176.174.60000112.5I50 K51 L52 M58I50-S54 VanDerWaalsContact O-CB 3.23Å; I50-S54 WeakPolarHBondContact O-CB 3.2Å; I50-S54 PolarHBondContact O-N 3.16Å; I50-S54 PolarHBondContact O-OG 3.4Å; I50-S54 VanDerWaalsContact O-OG 3.12Å; K51-S54 PolarHBondContact O-OG 3.12Å; L52-S54 PolarHBondContact O-N 3.25Å; S54-M58 WeakPolarHBondContact O-CB 3.19Å; S54-M58 WeakPolarHBondContact O-CG 3.32Å; S54-M58 PolarHBondContact O-N 3.12Å
55K89.4Confident86.6Confident158 Ų15881.3 Ų81.369%0.68741%0.41SS*.Hα-helixtrans-67-43.4-178.6-175.6-178.8177.5-174.30111.3K51 L52 T53 A59K51-K55 WeakPolarHBondContact O-CB 3.42Å; K51-K55 PolarHBondContact O-N 2.84Å; L52-K55 PolarHBondContact O-N 3.21Å; T53-K55 VanDerWaalsContact C-N 3.31Å; T53-K55 PolarHBondContact O-N 2.77Å; K55-A59 WeakPolarHBondContact O-CB 3.02Å; K55-A59 PolarHBondContact O-N 2.96Å
56Q86.9Confident86.3Confident128 Ų12884.2 Ų84.260%0.59841%0.412SS*.Hα-helixtrans-67.1-47.8179.2-72.3178.8-21.600111.5L52 T53 A59L52-Q56 WeakPolarHBondContact O-CG 3.23Å; L52-Q56 PolarHBondContact O-N 3.13Å; T53-Q56 PolarHBondContact O-N 3.4Å; Q56-A59 PolarHBondContact O-N 3.11Å
57M85.1Confident86.1Confident11 Ų1187.1 Ų87.15%0.05443%0.433CS..Hα-helixtrans-67.3-40.1-178.9-65.6-164.9130.800112.7T53 A59 H61 I76 T215T53-M57 WeakPolarHBondContact O-CG 3.46Å; T53-M57 PolarHBondContact O-N 3.13Å; M57-A59 VanDerWaalsContact C-N 3.3Å; M57-A59 PolarHBondContact O-N 2.73Å; M57-H61 PolarHBondContact O-ND1 3.22Å; M57-I76 HydrophobicContact CE-CD1 4.31Å; M57-T215 WeakPolarHBondContact CE-OG1 3.45Å
58M85.8Confident85.9Confident19 Ų1984.7 Ų84.79%0.09442%0.419CS..Hα-helixtrans-78.7-12.7-177.8-64.4-59.7113.800113.9S54 M60 H61 R66 S69 L72S54-M58 WeakPolarHBondContact O-CB 3.19Å; S54-M58 WeakPolarHBondContact O-CG 3.32Å; S54-M58 PolarHBondContact O-N 3.12Å; M58-M60 PolarHBondContact O-N 2.8Å; M58-H61 PolarHBondContact O-N 3.25Å; M58-R66 HydrophobicContact SD-CB 4.33Å; M58-R66 HydrophobicContact SD-CG 4.01Å; M58-S69 WeakPolarHBondContact SD-CB 3.39Å; M58-L72 HydrophobicContact CE-CD1 3.78Å
59A85Confident85.7Confident79 Ų7978.2 Ų78.265%0.65340%0.399SS*.THydrogen-bonded Turntrans-61.8-30.3175.700000112.1K55 Q56 M57K55-A59 WeakPolarHBondContact O-CB 3.02Å; K55-A59 PolarHBondContact O-N 2.96Å; Q56-A59 PolarHBondContact O-N 3.11Å; M57-A59 VanDerWaalsContact C-N 3.3Å; M57-A59 PolarHBondContact O-N 2.73Å
60M77.8Confident85.7Confident133 Ų13380.5 Ų80.566%0.65541%0.412SS*.THydrogen-bonded Turntrans-84.7-9.1-179.2-59.9-177.4124.900113.6M58 H223M58-M60 PolarHBondContact O-N 2.8Å; M60-H223 PolarHBondContact O-CE1 3.33Å; M60-H223 PolarHBondContact O-ND1 2.92Å
61H83.1Confident85.7Confident6 Ų680.8 Ų80.83%0.02841%0.412CS..  trans-110.7140.1-167.7-70.779000114.1M57 M58 R66 S219M57-H61 PolarHBondContact O-ND1 3.22Å; M58-H61 PolarHBondContact O-N 3.25Å; H61-R66 HydrophobicContact CB-CG 4.42Å; H61-R66 PolarHBondContact O-NE 2.94Å; H61-S219 PolarHBondContact NE2-O 3.2Å
62N80.4Confident85.7Confident109 Ų10973.6 Ų73.658%0.58338%0.381SS*.  trans-71170.1168.7-82.4-20.6000112.4K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.28Å; N62-K64 PolarHBondContact O-N 3.35Å; N62-G65 PolarHBondContact O-N 3.43Å; N62-R66 PolarHBondContact O-N 3.16Å
63T80.3Confident85.7Confident115 Ų11571.2 Ų71.271%0.70637%0.369SS*.THydrogen-bonded Turntrans-53.8-38-175.8530000114R66T63-R66 PolarHBondContact O-N 3.44Å
64K79.4Confident85.8Confident124 Ų12473 Ų7354%0.53938%0.383SS..THydrogen-bonded Turntrans-67-45.2174.7-68.9-176.6-179.1177.30112.2N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.28Å; N62-K64 PolarHBondContact O-N 3.35Å; K64-R66 VanDerWaalsContact C-N 3.27Å; K64-R66 PolarHBondContact O-N 2.98Å; K64-T67 WeakPolarHBondContact O-CB 3.42Å; K64-T67 PolarHBondContact O-N 3.06Å; K64-T67 PolarHBondContact O-OG1 3.39Å
65G78.3Confident85.9Confident0 Ų072.3 Ų72.30%038%0.377CS..G310 helixtrans-63.9-31.2177.300000113.1N62 T67 W68N62-G65 PolarHBondContact O-N 3.43Å; G65-T67 PolarHBondContact O-N 3.3Å; G65-T67 VanDerWaalsContact O-N 3.15Å; G65-W68 WeakPolarHBondContact O-CB 3.34Å; G65-W68 PolarHBondContact O-N 3.43Å
66R83.9Confident86Confident139 Ų13965.6 Ų65.653%0.52535%0.348SS..G310 helixtrans-62.7-20.2176.1-71.1-179.8-175.8-174.50.1114.2M58 H61 N62 T63 K64 W68 S69M58-R66 HydrophobicContact SD-CB 4.33Å; M58-R66 HydrophobicContact SD-CG 4.01Å; H61-R66 HydrophobicContact CB-CG 4.42Å; H61-R66 PolarHBondContact O-NE 2.94Å; N62-R66 PolarHBondContact O-N 3.16Å; T63-R66 PolarHBondContact O-N 3.44Å; K64-R66 VanDerWaalsContact C-N 3.27Å; K64-R66 PolarHBondContact O-N 2.98Å; R66-W68 PolarHBondContact O-N 2.8Å; R66-S69 WeakPolarHBondContact O-CB 3.42Å; R66-S69 PolarHBondContact O-N 3.14Å; R66-S69 VanDerWaalsContact O-N 3.1Å
67T86.7Confident86.2Confident102 Ų10261.5 Ų61.563%0.62633%0.33SS*.G310 helixtrans-63.4-25.5173.9620000112.5K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.42Å; K64-T67 PolarHBondContact O-N 3.06Å; K64-T67 PolarHBondContact O-OG1 3.39Å; G65-T67 PolarHBondContact O-N 3.3Å; G65-T67 VanDerWaalsContact O-N 3.15Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 3.08Å
68W86.9Confident86.5Confident47 Ų4763.3 Ų63.318%0.17834%0.337CS..G310 helixtrans-85.61.4177.1-73.458.7000113.6G65 R66 L70 M71 L72 M115 L222G65-W68 WeakPolarHBondContact O-CB 3.34Å; G65-W68 PolarHBondContact O-N 3.43Å; R66-W68 PolarHBondContact O-N 2.8Å; W68-L70 VanDerWaalsContact C-N 3.3Å; W68-L70 PolarHBondContact O-N 3.48Å; W68-M71 HydrophobicContact CD2-CE 3.72Å; W68-M71 HydrophobicContact CE3-CE 2.96Å; W68-M71 HydrophobicContact CH2-CE 3.63Å; W68-M71 HydrophobicContact CZ2-CE 4.3Å; W68-M71 HydrophobicContact CZ3-CE 2.93Å; W68-M71 PolarHBondContact O-N 3.07Å; W68-M71 VanDerWaalsContact O-N 3.08Å; W68-L72 PolarHBondContact O-N 3.37Å; W68-M115 HydrophobicContact CZ2-SD 4.05Å; W68-M115 PolarHBondContact NE1-SD 3.38Å; W68-L222 HydrophobicContact CB-CD1 4.49Å; W68-L222 HydrophobicContact CB-CD2 3.57Å; W68-L222 HydrophobicContact CD2-CD1 3.5Å; W68-L222 VanDerWaalsContact CD2-CD1 3.5Å; W68-L222 HydrophobicContact CD2-CD2 4.23Å; W68-L222 HydrophobicContact CE3-CD1 3.68Å; W68-L222 HydrophobicContact CG-CD1 3.81Å; W68-L222 HydrophobicContact CG-CD2 3.73Å; W68-L222 HydrophobicContact CG-CG 4.45Å; W68-L222 HydrophobicContact CZ2-CD1 4.36Å; W68-L222 HydrophobicContact CZ3-CD1 4.19Å
69S87.8Confident86.8Confident30 Ų3062.4 Ų62.421%0.2133%0.333CS..Hα-helixtrans-52.9-47.3-178.4-178.20000112.4M58 R66 T67 M71 L72 V73M58-S69 WeakPolarHBondContact SD-CB 3.39Å; R66-S69 WeakPolarHBondContact O-CB 3.42Å; R66-S69 PolarHBondContact O-N 3.14Å; R66-S69 VanDerWaalsContact O-N 3.1Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 3.08Å; S69-M71 VanDerWaalsContact C-N 3.28Å; S69-M71 PolarHBondContact O-N 3.39Å; S69-L72 PolarHBondContact O-N 3.13Å; S69-V73 WeakPolarHBondContact O-CB 3.41Å; S69-V73 VanDerWaalsContact O-CG2 3.27Å; S69-V73 WeakPolarHBondContact O-CG2 3.32Å; S69-V73 PolarHBondContact O-N 3.35Å
70L90.9Very high87Confident147 Ų14760 Ų6077%0.7731%0.313SS*.Hα-helixtrans-57.8-44.3-180-169.695.7000111.2W68 S74W68-L70 VanDerWaalsContact C-N 3.3Å; W68-L70 PolarHBondContact O-N 3.48Å; L70-S74 VanDerWaalsContact O-CB 3.31Å; L70-S74 WeakPolarHBondContact O-CB 3.39Å; L70-S74 PolarHBondContact O-N 3.33Å; L70-S74 PolarHBondContact O-OG 3.05Å
71M91.4Very high87.7Confident68 Ų6855 Ų5534%0.33529%0.29SS..Hα-helixtrans-67.3-47.9-178.2-174.1153.163.700111.5W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 3.72Å; W68-M71 HydrophobicContact CE3-CE 2.96Å; W68-M71 HydrophobicContact CH2-CE 3.63Å; W68-M71 HydrophobicContact CZ2-CE 4.3Å; W68-M71 HydrophobicContact CZ3-CE 2.93Å; W68-M71 PolarHBondContact O-N 3.07Å; W68-M71 VanDerWaalsContact O-N 3.08Å; S69-M71 VanDerWaalsContact C-N 3.28Å; S69-M71 PolarHBondContact O-N 3.39Å; M71-V73 VanDerWaalsContact C-N 3.33Å; M71-V73 PolarHBondContact O-N 3.35Å; M71-S74 WeakPolarHBondContact CA-OG 3.2Å; M71-S74 PolarHBondContact O-N 3.08Å; M71-S74 PolarHBondContact O-OG 3.05Å; M71-L75 VanDerWaalsContact O-CB 3.27Å; M71-L75 WeakPolarHBondContact O-CB 3.47Å; M71-L75 PolarHBondContact O-N 3.28Å; M71-L108 HydrophobicContact CE-CD2 3.82Å; M71-L108 HydrophobicContact CG-CD2 4.03Å; M71-L108 HydrophobicContact SD-CD2 3.63Å
72L90.7Very high88Confident4 Ų455 Ų552%0.02129%0.291CS..Hα-helixtrans-60.4-42.7178.8-70.3170.1000112.1M58 W68 S69 L75 I76 V218M58-L72 HydrophobicContact CE-CD1 3.78Å; W68-L72 PolarHBondContact O-N 3.37Å; S69-L72 PolarHBondContact O-N 3.13Å; L72-L75 PolarHBondContact O-N 3.48Å; L72-I76 PolarHBondContact O-N 3.21Å; L72-V218 HydrophobicContact CD2-CB 4.21Å; L72-V218 HydrophobicContact CD2-CG1 3.87Å
73V91.6Very high88.6Confident15 Ų1550 Ų509%0.09126%0.264CS..Hα-helixtrans-67.9-43.1177.4172.80000111.4I50 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.9Å; S69-V73 WeakPolarHBondContact O-CB 3.41Å; S69-V73 VanDerWaalsContact O-CG2 3.27Å; S69-V73 WeakPolarHBondContact O-CG2 3.32Å; S69-V73 PolarHBondContact O-N 3.35Å; M71-V73 VanDerWaalsContact C-N 3.33Å; M71-V73 PolarHBondContact O-N 3.35Å; V73-L75 PolarHBondContact O-N 2.64Å; V73-I76 WeakPolarHBondContact O-CG2 3.34Å; V73-I77 HydrophobicContact CG1-CD1 3.8Å; V73-I77 VanDerWaalsContact O-CD1 3.29Å; V73-I77 WeakPolarHBondContact O-CD1 3.29Å; V73-I77 VanDerWaalsContact O-CG1 3.22Å; V73-I77 WeakPolarHBondContact O-CG1 3.42Å; V73-I77 PolarHBondContact O-N 3.48Å
74S91.6Very high89Confident67 Ų6748.9 Ų48.947%0.46925%0.253SS..Hα-helixtrans-61.2-36.2176.2700000111.7L70 M71 F78L70-S74 VanDerWaalsContact O-CB 3.31Å; L70-S74 WeakPolarHBondContact O-CB 3.39Å; L70-S74 PolarHBondContact O-N 3.33Å; L70-S74 PolarHBondContact O-OG 3.05Å; M71-S74 WeakPolarHBondContact CA-OG 3.2Å; M71-S74 PolarHBondContact O-N 3.08Å; M71-S74 PolarHBondContact O-OG 3.05Å; S74-F78 VanDerWaalsContact O-CB 3.31Å; S74-F78 WeakPolarHBondContact O-CB 3.34Å; S74-F78 PolarHBondContact O-N 3.28Å
75L91.1Very high89.5Confident18 Ų1844.7 Ų44.79%0.09424%0.236CC..Hα-helixtrans-75.5-42.1-175.5-169.1140.8000112.8M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 VanDerWaalsContact O-CB 3.27Å; M71-L75 WeakPolarHBondContact O-CB 3.47Å; M71-L75 PolarHBondContact O-N 3.28Å; L72-L75 PolarHBondContact O-N 3.48Å; V73-L75 PolarHBondContact O-N 2.64Å; L75-I77 VanDerWaalsContact C-N 3.27Å; L75-I77 PolarHBondContact O-N 3.15Å; L75-F78 PolarHBondContact O-N 3.21Å; L75-I79 HydrophobicContact CD2-CD1 3.43Å; L75-I79 VanDerWaalsContact CD2-CD1 3.43Å; L75-I79 HydrophobicContact CD2-CG1 4.24Å; L75-I79 HydrophobicContact CG-CD1 4.09Å; L75-I79 WeakPolarHBondContact O-CG1 3.5Å; L75-I79 PolarHBondContact O-N 3.1Å; L75-L108 HydrophobicContact CD1-CD1 3.07Å; L75-L108 HydrophobicContact CD1-CD2 4.19Å; L75-L108 HydrophobicContact CD1-CG 4.22Å; L75-L108 HydrophobicContact CG-CD1 4.5Å; L75-F214 HydrophobicContact CD1-CE1 4.21Å; L75-F214 HydrophobicContact CD2-CD1 3.44Å; L75-F214 VanDerWaalsContact CD2-CD1 3.44Å; L75-F214 HydrophobicContact CD2-CE1 3.55Å; L75-F214 HydrophobicContact CG-CE1 4.47Å; L75-T215 HydrophobicContact CB-CG2 4.46Å; L75-T215 HydrophobicContact CD2-CG2 3.19Å; L75-T215 HydrophobicContact CG-CG2 4.4Å
76I91.6Very high89.9Confident17 Ų1744.8 Ų44.89%0.08724%0.237CC..Hα-helixtrans-62-40.5176.1-163.1170.8000110.9M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CD1 4.31Å; L72-I76 PolarHBondContact O-N 3.21Å; V73-I76 WeakPolarHBondContact O-CG2 3.34Å; I76-A80 WeakPolarHBondContact O-CB 3.48Å; I76-A80 PolarHBondContact O-N 2.93Å; I76-A211 HydrophobicContact CG1-CB 4.46Å; I76-Y212 HydrophobicContact CD1-CD2 4.16Å; I76-T215 VanDerWaalsContact CA-CG2 3.47Å; I76-T215 HydrophobicContact CB-CG2 3.49Å; I76-T215 VanDerWaalsContact CB-CG2 3.49Å; I76-T215 WeakPolarHBondContact CD1-OG1 3.41Å; I76-T215 HydrophobicContact CG1-CG2 3.93Å
77I91.6Very high90Very high41 Ų4140 Ų4021%0.2122%0.222CC..Hα-helixtrans-68-43.4178.6-62.9165.5000110.3I31 I50 V73 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.35Å; I31-I77 HydrophobicContact CG1-CG2 4.39Å; I50-I77 HydrophobicContact CD1-CD1 4.04Å; I50-I77 HydrophobicContact CG1-CD1 3.7Å; V73-I77 HydrophobicContact CG1-CD1 3.8Å; V73-I77 VanDerWaalsContact O-CD1 3.29Å; V73-I77 WeakPolarHBondContact O-CD1 3.29Å; V73-I77 VanDerWaalsContact O-CG1 3.22Å; V73-I77 WeakPolarHBondContact O-CG1 3.42Å; V73-I77 PolarHBondContact O-N 3.48Å; L75-I77 VanDerWaalsContact C-N 3.27Å; L75-I77 PolarHBondContact O-N 3.15Å; I77-T81 HydrophobicContact CG2-CG2 4.3Å; I77-T81 WeakPolarHBondContact O-CB 3.13Å; I77-T81 VanDerWaalsContact O-CG2 3.27Å; I77-T81 WeakPolarHBondContact O-CG2 3.33Å; I77-T81 PolarHBondContact O-N 2.88Å; I77-T81 PolarHBondContact O-OG1 2.94Å
78F91.2Very high90.1Very high49 Ų4939.9 Ų39.922%0.21522%0.217CC..Hα-helixtrans-59.8-53.6177.8-179.8-105000111.7I24 S74 L75 A80 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.3Å; S74-F78 VanDerWaalsContact O-CB 3.31Å; S74-F78 WeakPolarHBondContact O-CB 3.34Å; S74-F78 PolarHBondContact O-N 3.28Å; L75-F78 PolarHBondContact O-N 3.21Å; F78-A80 PolarHBondContact O-N 3.38Å; F78-T81 PolarHBondContact O-N 3.37Å; F78-T81 PolarHBondContact O-OG1 3.33Å; F78-T82 HydrophobicContact CD2-CG2 4.3Å; F78-T82 HydrophobicContact CE1-CG2 4.19Å; F78-T82 HydrophobicContact CE2-CG2 3.91Å; F78-T82 HydrophobicContact CZ-CG2 3.85Å; F78-T82 WeakPolarHBondContact O-CG2 3.49Å; F78-T82 PolarHBondContact O-N 3.48Å; F78-T82 PolarHBondContact O-OG1 3.36Å; F78-T82 VanDerWaalsContact O-OG1 3.08Å; F78-M100 HydrophobicContact CE1-CE 3.83Å; F78-M100 HydrophobicContact CZ-CE 3.77Å; F78-M104 HydrophobicContact CD1-SD 3.89Å; F78-M104 HydrophobicContact CE1-CE 3.98Å; F78-M104 HydrophobicContact CE1-SD 3.63Å
79I91.2Very high89.9Confident0 Ų043.1 Ų43.10%024%0.244CC..Hα-helixtrans-65.6-42.5-178.1-61177.2000111.1L75 T81 T82 N83 M104 L160 A211 F214L75-I79 HydrophobicContact CD2-CD1 3.43Å; L75-I79 VanDerWaalsContact CD2-CD1 3.43Å; L75-I79 HydrophobicContact CD2-CG1 4.24Å; L75-I79 HydrophobicContact CG-CD1 4.09Å; L75-I79 WeakPolarHBondContact O-CG1 3.5Å; L75-I79 PolarHBondContact O-N 3.1Å; I79-T81 PolarHBondContact O-N 2.99Å; I79-T82 WeakPolarHBondContact CA-OG1 3.31Å; I79-T82 PolarHBondContact O-N 3.39Å; I79-T82 PolarHBondContact O-OG1 3.18Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.49Å; I79-N83 WeakPolarHBondContact O-CB 3.38Å; I79-N83 PolarHBondContact O-N 3Å; I79-N83 PolarHBondContact O-ND2 3.5Å; I79-N83 PolarHBondContact O-OD1 3.35Å; I79-M104 HydrophobicContact CG1-SD 4.41Å; I79-L160 HydrophobicContact CG2-CD1 4.05Å; I79-L160 HydrophobicContact CG2-CD2 4.23Å; I79-A211 HydrophobicContact CB-CB 4.04Å; I79-A211 HydrophobicContact CG2-CB 3.78Å; I79-F214 HydrophobicContact CD1-CB 4.26Å; I79-F214 HydrophobicContact CD1-CD1 3.53Å; I79-F214 HydrophobicContact CD1-CD2 4.18Å; I79-F214 HydrophobicContact CD1-CE1 3.85Å; I79-F214 HydrophobicContact CD1-CE2 4.43Å; I79-F214 HydrophobicContact CD1-CG 3.73Å; I79-F214 HydrophobicContact CD1-CZ 4.28Å
80A90.6Very high89.7Confident28 Ų2851.3 Ų51.323%0.23128%0.279CS..Hα-helixtrans-62.3-43.7179.500000111.6I76 F78 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.48Å; I76-A80 PolarHBondContact O-N 2.93Å; F78-A80 PolarHBondContact O-N 3.38Å; A80-L84 VanDerWaalsContact O-CB 3.25Å; A80-L84 WeakPolarHBondContact O-CB 3Å; A80-L84 PolarHBondContact O-N 3.2Å; A80-A211 HydrophobicContact CB-CB 3.89Å
81T91.1Very high89.3Confident30 Ų3046 Ų4618%0.18425%0.254CS..Hα-helixtrans-68.7-46.5178.353.40000111.4P27 I77 F78 I79 N83 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.43Å; I77-T81 HydrophobicContact CG2-CG2 4.3Å; I77-T81 WeakPolarHBondContact O-CB 3.13Å; I77-T81 VanDerWaalsContact O-CG2 3.27Å; I77-T81 WeakPolarHBondContact O-CG2 3.33Å; I77-T81 PolarHBondContact O-N 2.88Å; I77-T81 PolarHBondContact O-OG1 2.94Å; F78-T81 PolarHBondContact O-N 3.37Å; F78-T81 PolarHBondContact O-OG1 3.33Å; I79-T81 PolarHBondContact O-N 2.99Å; T81-N83 VanDerWaalsContact C-N 3.3Å; T81-N83 PolarHBondContact O-N 3.5Å; T81-L84 PolarHBondContact O-N 3Å; T81-L85 WeakPolarHBondContact O-CB 3.3Å; T81-L85 WeakPolarHBondContact O-CD1 3.13Å; T81-L85 PolarHBondContact O-N 3.17Å
82T90.9Very high88.9Confident6 Ų644.1 Ų44.14%0.03724%0.244CC..Hα-helixtrans-59.4-40.7177.752.30000112.7P27 F78 I79 G86 T95P27-T82 HydrophobicContact CB-CG2 4.32Å; P27-T82 HydrophobicContact CG-CG2 3.56Å; F78-T82 HydrophobicContact CD2-CG2 4.3Å; F78-T82 HydrophobicContact CE1-CG2 4.19Å; F78-T82 HydrophobicContact CE2-CG2 3.91Å; F78-T82 HydrophobicContact CZ-CG2 3.85Å; F78-T82 WeakPolarHBondContact O-CG2 3.49Å; F78-T82 PolarHBondContact O-N 3.48Å; F78-T82 PolarHBondContact O-OG1 3.36Å; F78-T82 VanDerWaalsContact O-OG1 3.08Å; I79-T82 WeakPolarHBondContact CA-OG1 3.31Å; I79-T82 PolarHBondContact O-N 3.39Å; I79-T82 PolarHBondContact O-OG1 3.18Å; T82-G86 PolarHBondContact O-N 3.22Å; T82-T95 WeakPolarHBondContact OG1-CG2 3.37Å
83N91.1Very high88.6Confident4 Ų444.2 Ų44.22%0.02124%0.244CC..Hα-helixtrans-70.7-42.5-179.5-67.2-8.4000111.4I79 T81 G86 L87 T95 L160 I164 A207I79-N83 WeakPolarHBondContact CG2-ND2 3.49Å; I79-N83 WeakPolarHBondContact O-CB 3.38Å; I79-N83 PolarHBondContact O-N 3Å; I79-N83 PolarHBondContact O-ND2 3.5Å; I79-N83 PolarHBondContact O-OD1 3.35Å; T81-N83 VanDerWaalsContact C-N 3.3Å; T81-N83 PolarHBondContact O-N 3.5Å; N83-G86 WeakPolarHBondContact O-CA 3.37Å; N83-G86 PolarHBondContact O-N 3.41Å; N83-G86 VanDerWaalsContact O-N 3.12Å; N83-L87 PolarHBondContact O-N 3.19Å; N83-T95 WeakPolarHBondContact OD1-CB 3.39Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.46Å; N83-T95 PolarHBondContact OD1-OG1 2.91Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.46Å; N83-I164 HydrophobicContact CB-CD1 4.35Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.37Å; N83-A207 HydrophobicContact CB-CB 3.9Å; N83-A207 PolarHBondContact ND2-O 3.06Å
84L89.9Confident88.2Confident91 Ų9144 Ų4448%0.47624%0.243SC..Hα-helixtrans-70.3-38.1-178.2-163.5143.6000111.8A80 T81 G86 L87A80-L84 VanDerWaalsContact O-CB 3.25Å; A80-L84 WeakPolarHBondContact O-CB 3Å; A80-L84 PolarHBondContact O-N 3.2Å; T81-L84 PolarHBondContact O-N 3Å; L84-G86 PolarHBondContact O-N 3.2Å; L84-L87 PolarHBondContact O-N 3.38Å
85L89.8Confident88Confident35 Ų3540.8 Ų40.818%0.18322%0.221CC..Hα-helixtrans-63.2-34.2169.6-89.289.2000112F26 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD2 3.33Å; F26-L85 HydrophobicContact CE1-CD2 3.55Å; L30-L85 HydrophobicContact CD1-CD1 3.46Å; L30-L85 VanDerWaalsContact CD1-CD1 3.46Å; L30-L85 HydrophobicContact CD1-CD2 3.83Å; L30-L85 HydrophobicContact CD1-CG 4.12Å; T81-L85 WeakPolarHBondContact O-CB 3.3Å; T81-L85 WeakPolarHBondContact O-CD1 3.13Å; T81-L85 PolarHBondContact O-N 3.17Å; L85-L87 PolarHBondContact O-N 3.43Å; L85-L88 VanDerWaalsContact O-CB 3.26Å; L85-L88 WeakPolarHBondContact O-CB 3.39Å; L85-L88 WeakPolarHBondContact O-CG 3.04Å; L85-L88 PolarHBondContact O-N 2.99Å; L85-L88 VanDerWaalsContact O-N 3.11Å; L85-S91 PolarHBondContact O-OG 2.92Å
86G86.3Confident87.7Confident2 Ų240.4 Ų40.42%0.02122%0.221CC..Hα-helixtrans-65.1-24.7-179.500000114.5T82 N83 L84 L88 S91 T93 H168T82-G86 PolarHBondContact O-N 3.22Å; N83-G86 WeakPolarHBondContact O-CA 3.37Å; N83-G86 PolarHBondContact O-N 3.41Å; N83-G86 VanDerWaalsContact O-N 3.12Å; L84-G86 PolarHBondContact O-N 3.2Å; G86-L88 PolarHBondContact O-N 2.89Å; G86-S91 VanDerWaalsContact C-OG 3.28Å; G86-S91 WeakPolarHBondContact CA-OG 3.2Å; G86-S91 PolarHBondContact O-OG 3.21Å; G86-T93 VanDerWaalsContact C-CG2 3.49Å; G86-T93 WeakPolarHBondContact O-CG2 3.49Å; G86-H168 PolarHBondContact O-CE1 3.12Å; G86-H168 PolarHBondContact O-NE2 3.13Å
87L87.3Confident87.5Confident39 Ų3942.9 Ų42.920%0.20423%0.232CC..THydrogen-bonded Turntrans-75.1-7.4175.6-61.2175.9000113.4N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 3.19Å; L84-L87 PolarHBondContact O-N 3.38Å; L85-L87 PolarHBondContact O-N 3.43Å; L87-M171 HydrophobicContact CD2-CE 4.02Å; L87-E203 HydrophobicContact CD1-CG 4.39Å; L87-E203 HydrophobicContact CD2-CB 4.18Å; L87-E203 HydrophobicContact CD2-CG 3.38Å; L87-I204 HydrophobicContact CD1-CB 4.26Å; L87-I204 HydrophobicContact CD1-CG1 3.68Å; L87-A207 HydrophobicContact CD1-CB 4.06Å
88L87.8Confident87.3Confident100 Ų10044.2 Ų44.252%0.52424%0.239SC..SBendtrans-67.3143.8175.9-66.1172.8000110.7L85 G86 H90 S91L85-L88 VanDerWaalsContact O-CB 3.26Å; L85-L88 WeakPolarHBondContact O-CB 3.39Å; L85-L88 WeakPolarHBondContact O-CG 3.04Å; L85-L88 PolarHBondContact O-N 2.99Å; L85-L88 VanDerWaalsContact O-N 3.11Å; G86-L88 PolarHBondContact O-N 2.89Å; L88-H90 PolarHBondContact O-N 3.09Å; L88-S91 WeakPolarHBondContact O-CB 3.44Å; L88-S91 PolarHBondContact O-N 3.35Å; L88-S91 VanDerWaalsContact O-N 3.13Å; L88-S91 PolarHBondContact O-OG 3.3Å
89P82.8Confident87.2Confident114 Ų11445.8 Ų45.874%0.7426%0.256SS*.THydrogen-bonded Turntrans-58.9134.7-179.224.9-34000110.7S91P89-S91 PolarHBondContact O-N 3.02Å; P89-S91 VanDerWaalsContact O-N 3.12Å
90H82.8Confident87Confident203 Ų20347.7 Ų47.794%0.9427%0.265SS*.THydrogen-bonded Turntrans5816.3-178.5-57.8-67.6000115.9L88L88-H90 PolarHBondContact O-N 3.09Å
91S84.1Confident87Confident36 Ų3646.4 Ų46.425%0.25225%0.254SS..  trans-80.8141.3171.571.30000111L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 2.92Å; G86-S91 VanDerWaalsContact C-OG 3.28Å; G86-S91 WeakPolarHBondContact CA-OG 3.2Å; G86-S91 PolarHBondContact O-OG 3.21Å; L88-S91 WeakPolarHBondContact O-CB 3.44Å; L88-S91 PolarHBondContact O-N 3.35Å; L88-S91 VanDerWaalsContact O-N 3.13Å; L88-S91 PolarHBondContact O-OG 3.3Å; P89-S91 PolarHBondContact O-N 3.02Å; P89-S91 VanDerWaalsContact O-N 3.12Å
92F82.8Confident86.8Confident28 Ų2847 Ų4712%0.12326%0.257CS..  trans-85.5129.9170.4171.9-96000108.8S8 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.45Å; P12-F92 HydrophobicContact CG-CB 4.39Å; P12-F92 HydrophobicContact CG-CD1 4.19Å; P12-F92 HydrophobicContact CG-CD2 4.45Å; P12-F92 HydrophobicContact CG-CG 4.09Å; A20-F92 HydrophobicContact CB-CE1 4.34Å; I23-F92 HydrophobicContact CD1-CB 3.97Å; I23-F92 HydrophobicContact CD1-CD1 3.96Å; I23-F92 HydrophobicContact CD1-CG 4.34Å; I23-F92 HydrophobicContact CG2-CD1 4.47Å; F92-P94 HydrophobicContact CD1-CG 4.39Å; F92-P94 HydrophobicContact CE1-CG 4.34Å; F92-P94 WeakPolarHBondContact O-CD 3.34Å; F92-Q97 HydrophobicContact CZ-CG 4.17Å
93T84.6Confident86.7Confident5 Ų549.9 Ų49.93%0.03128%0.281CS..  trans-101.8108.5-177.167.20000110G86 T95 A96G86-T93 VanDerWaalsContact C-CG2 3.49Å; G86-T93 WeakPolarHBondContact O-CG2 3.49Å; T93-T95 PolarHBondContact O-N 2.91Å; T93-T95 VanDerWaalsContact O-N 3.17Å; T93-A96 WeakPolarHBondContact O-CB 3.23Å; T93-A96 PolarHBondContact O-N 3.27Å; T93-A96 VanDerWaalsContact O-N 3.16Å; T93-A96 VanDerWaalsContact OG1-CB 3.22Å; T93-A96 WeakPolarHBondContact OG1-CB 3.42Å
94P83.4Confident86.4Confident10 Ų1051 Ų517%0.06529%0.286CS..G310 helixtrans-61.8-27-179.8-23.434.3000112.9I23 I24 F92 A96 Q97 M100I23-P94 HydrophobicContact CG2-CG 3.99Å; I24-P94 HydrophobicContact CD1-CB 4.33Å; I24-P94 HydrophobicContact CG1-CB 3.73Å; I24-P94 HydrophobicContact CG1-CG 3.73Å; F92-P94 HydrophobicContact CD1-CG 4.39Å; F92-P94 HydrophobicContact CE1-CG 4.34Å; F92-P94 WeakPolarHBondContact O-CD 3.34Å; P94-A96 VanDerWaalsContact C-N 3.3Å; P94-A96 PolarHBondContact O-N 3.23Å; P94-Q97 PolarHBondContact O-N 3.49Å; P94-M100 WeakPolarHBondContact O-CB 3.38Å
95T85.5Confident86.3Confident1 Ų146.8 Ų46.81%0.00626%0.264CS..G310 helixtrans-77.1-9.3-179.8490000114.2T82 N83 T93 Q97 N101 M104 L160 I164T82-T95 WeakPolarHBondContact OG1-CG2 3.37Å; N83-T95 WeakPolarHBondContact OD1-CB 3.39Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.46Å; N83-T95 PolarHBondContact OD1-OG1 2.91Å; T93-T95 PolarHBondContact O-N 2.91Å; T93-T95 VanDerWaalsContact O-N 3.17Å; T95-Q97 VanDerWaalsContact C-N 3.29Å; T95-N101 PolarHBondContact O-ND2 3.15Å; T95-N101 PolarHBondContact O-OD1 3.37Å; T95-M104 HydrophobicContact CG2-CE 4.46Å; T95-L160 HydrophobicContact CG2-CD2 4.4Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.44Å
96A84.9Confident86.2Confident10 Ų1049 Ų498%0.08328%0.275CS..G310 helixtrans-72.4-25.7168.100000112.3F9 T93 P94 L98 T161 I164 T165F9-A96 HydrophobicContact CD1-CB 3.79Å; F9-A96 HydrophobicContact CE1-CB 3.97Å; T93-A96 WeakPolarHBondContact O-CB 3.23Å; T93-A96 PolarHBondContact O-N 3.27Å; T93-A96 VanDerWaalsContact O-N 3.16Å; T93-A96 VanDerWaalsContact OG1-CB 3.22Å; T93-A96 WeakPolarHBondContact OG1-CB 3.42Å; P94-A96 VanDerWaalsContact C-N 3.3Å; P94-A96 PolarHBondContact O-N 3.23Å; A96-L98 PolarHBondContact O-N 2.95Å; A96-T161 WeakPolarHBondContact O-CG2 3.14Å; A96-I164 HydrophobicContact CB-CG2 4.35Å; A96-T165 HydrophobicContact CB-CG2 3.66Å
97Q88.9Confident86.4Confident69 Ų6952.6 Ų52.632%0.32230%0.298SS..SBendtrans-78.6122177.5-68.4-67.2-27.800110.3F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 3.46Å; F92-Q97 HydrophobicContact CZ-CG 4.17Å; P94-Q97 PolarHBondContact O-N 3.49Å; T95-Q97 VanDerWaalsContact C-N 3.29Å; Q97-S99 PolarHBondContact O-N 3.26Å; Q97-M100 PolarHBondContact O-N 3.41Å; Q97-M100 VanDerWaalsContact O-N 3.13Å; Q97-N101 PolarHBondContact O-N 2.92Å
98L87.1Confident86.4Confident68 Ų6851.6 Ų51.636%0.35629%0.293SS..Hα-helixtrans-58.9-33.2179.1-177.263.8000112.3A96 M100 N101 L102 M154 A157 V158 T161A96-L98 PolarHBondContact O-N 2.95Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.33Å; L98-N101 PolarHBondContact O-N 3.33Å; L98-L102 VanDerWaalsContact O-CB 3.23Å; L98-L102 WeakPolarHBondContact O-CB 3.39Å; L98-L102 PolarHBondContact O-N 3.13Å; L98-M154 HydrophobicContact CD1-CE 4.48Å; L98-M154 HydrophobicContact CD2-CE 4.08Å; L98-A157 HydrophobicContact CD1-CB 4.37Å; L98-V158 HydrophobicContact CD1-CG2 3.91Å; L98-T161 VanDerWaalsContact CA-CG2 3.42Å; L98-T161 HydrophobicContact CB-CG2 4Å; L98-T161 HydrophobicContact CD1-CG2 4.01Å
99S88.4Confident86.4Confident82 Ų8248.7 Ų48.757%0.57328%0.275SS*.Hα-helixtrans-56.5-44.2176.655.30000112.5Q97 A103Q97-S99 PolarHBondContact O-N 3.26Å; S99-A103 WeakPolarHBondContact O-CB 3.33Å; S99-A103 PolarHBondContact O-N 3.24Å
100M87.9Confident86.5Confident41 Ų4144.5 Ų44.520%0.20225%0.251CS..Hα-helixtrans-67-46.6-178.9-175.365.2-17200111.3I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-SD 4.25Å; I24-M100 HydrophobicContact CG2-CE 4.21Å; F78-M100 HydrophobicContact CE1-CE 3.83Å; F78-M100 HydrophobicContact CZ-CE 3.77Å; P94-M100 WeakPolarHBondContact O-CB 3.38Å; Q97-M100 PolarHBondContact O-N 3.41Å; Q97-M100 VanDerWaalsContact O-N 3.13Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.33Å; M100-L102 VanDerWaalsContact C-N 3.34Å; M100-L102 PolarHBondContact O-N 3.07Å; M100-A103 PolarHBondContact O-N 3.33Å; M100-M104 HydrophobicContact CE-CE 3.76Å; M100-M104 HydrophobicContact CE-SD 4.33Å; M100-M104 HydrophobicContact CG-CE 3.63Å; M100-M104 PolarHBondContact O-N 3.36Å; M100-M104 VanDerWaalsContact O-N 3.07Å; M100-M104 HydrophobicContact SD-CE 4.4Å
101N88.7Confident86.7Confident0 Ų035.9 Ų35.90%022%0.216CC..Hα-helixtrans-68-37.3-178.6-65.2-10.9000111.8T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.15Å; T95-N101 PolarHBondContact O-OD1 3.37Å; Q97-N101 PolarHBondContact O-N 2.92Å; L98-N101 PolarHBondContact O-N 3.33Å; N101-M104 PolarHBondContact O-N 3.29Å; N101-A105 VanDerWaalsContact O-CB 3.3Å; N101-A105 WeakPolarHBondContact O-CB 3.47Å; N101-A105 PolarHBondContact O-N 3.16Å; N101-A157 HydrophobicContact CB-CB 3.91Å; N101-A157 PolarHBondContact ND2-O 3.37Å; N101-L160 HydrophobicContact CB-CD2 4.26Å; N101-L160 WeakPolarHBondContact ND2-CB 3.23Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.45Å; N101-L160 VanDerWaalsContact ND2-CG 3.32Å; N101-L160 WeakPolarHBondContact ND2-CG 3.47Å; N101-L160 VanDerWaalsContact OD1-CD2 3.23Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.47Å; N101-T161 HydrophobicContact CB-CG2 4.34Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.34Å; N101-T161 PolarHBondContact ND2-N 2.99Å
102L86.8Confident86.7Confident44 Ų4434.2 Ų34.223%0.2321%0.205CC..Hα-helixtrans-69.9-39.3177-164.665.8000111.6L98 M100 M104 A105 I106 M154 A157L98-L102 VanDerWaalsContact O-CB 3.23Å; L98-L102 WeakPolarHBondContact O-CB 3.39Å; L98-L102 PolarHBondContact O-N 3.13Å; M100-L102 VanDerWaalsContact C-N 3.34Å; M100-L102 PolarHBondContact O-N 3.07Å; L102-M104 PolarHBondContact O-N 3.45Å; L102-A105 PolarHBondContact O-N 2.92Å; L102-I106 HydrophobicContact CD1-CD1 3.67Å; L102-I106 HydrophobicContact CD1-CG1 3.77Å; L102-I106 HydrophobicContact CD2-CD1 3.99Å; L102-I106 HydrophobicContact CG-CD1 3.48Å; L102-I106 VanDerWaalsContact CG-CD1 3.48Å; L102-I106 HydrophobicContact CG-CG1 3.95Å; L102-I106 WeakPolarHBondContact O-CG1 3.42Å; L102-I106 PolarHBondContact O-N 3.17Å; L102-M154 HydrophobicContact CD1-SD 3.42Å; L102-M154 WeakPolarHBondContact CD1-SD 3.33Å; L102-M154 HydrophobicContact CD2-SD 4.25Å; L102-M154 HydrophobicContact CG-SD 4.48Å; L102-A157 HydrophobicContact CB-CB 4.48Å; L102-A157 HydrophobicContact CD1-CB 4.16Å
103A89.1Confident86.7Confident66 Ų6633.6 Ų33.655%0.54520%0.203SC..Hα-helixtrans-62.5-29.6173.600000112.8S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.33Å; S99-A103 PolarHBondContact O-N 3.24Å; M100-A103 PolarHBondContact O-N 3.33Å; A103-P107 WeakPolarHBondContact O-CD 3.31Å; A103-P107 WeakPolarHBondContact O-CG 3.31Å
104M86.4Confident86.7Confident27 Ų2738 Ų3813%0.13323%0.226CC..Hα-helixtrans-78.9-47.3170.9-70.9-172.5-97.700112.2F78 I79 T95 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.89Å; F78-M104 HydrophobicContact CE1-CE 3.98Å; F78-M104 HydrophobicContact CE1-SD 3.63Å; I79-M104 HydrophobicContact CG1-SD 4.41Å; T95-M104 HydrophobicContact CG2-CE 4.46Å; M100-M104 HydrophobicContact CE-CE 3.76Å; M100-M104 HydrophobicContact CE-SD 4.33Å; M100-M104 HydrophobicContact CG-CE 3.63Å; M100-M104 PolarHBondContact O-N 3.36Å; M100-M104 VanDerWaalsContact O-N 3.07Å; M100-M104 HydrophobicContact SD-CE 4.4Å; N101-M104 PolarHBondContact O-N 3.29Å; L102-M104 PolarHBondContact O-N 3.45Å; M104-L108 WeakPolarHBondContact O-CD1 3.38Å; M104-L108 WeakPolarHBondContact O-CG 3.48Å
105A87.3Confident86.6Confident2 Ų239.8 Ų39.82%0.01723%0.234CC..Hα-helixtrans-69.6-44.9-170.900000113.6N101 L102 L108 W109 A157 F214N101-A105 VanDerWaalsContact O-CB 3.3Å; N101-A105 WeakPolarHBondContact O-CB 3.47Å; N101-A105 PolarHBondContact O-N 3.16Å; L102-A105 PolarHBondContact O-N 2.92Å; A105-L108 PolarHBondContact O-N 3.04Å; A105-W109 VanDerWaalsContact O-CB 3.32Å; A105-W109 WeakPolarHBondContact O-CB 3.41Å; A105-W109 PolarHBondContact O-N 3.41Å; A105-A157 HydrophobicContact CB-CB 4.24Å; A105-F214 HydrophobicContact CB-CE2 4.34Å; A105-F214 HydrophobicContact CB-CZ 4.14Å
106I88.3Confident86.2Confident81 Ų8139.8 Ų39.842%0.41523%0.234SC..Hα-helixtrans-62.3-50.7-175-65.4177000111.8L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.67Å; L102-I106 HydrophobicContact CD1-CG1 3.77Å; L102-I106 HydrophobicContact CD2-CD1 3.99Å; L102-I106 HydrophobicContact CG-CD1 3.48Å; L102-I106 VanDerWaalsContact CG-CD1 3.48Å; L102-I106 HydrophobicContact CG-CG1 3.95Å; L102-I106 WeakPolarHBondContact O-CG1 3.42Å; L102-I106 PolarHBondContact O-N 3.17Å; I106-L108 VanDerWaalsContact C-N 3.34Å; I106-L108 PolarHBondContact O-N 3.31Å; I106-W109 PolarHBondContact O-N 2.96Å; I106-A110 WeakPolarHBondContact O-CB 3.27Å; I106-A110 PolarHBondContact O-N 3.36Å
107P89.6Confident85.9Confident78 Ų7843.1 Ų43.151%0.50625%0.247SC..Hα-helixtrans-64.3-36.9-177.9-24.736.9000113.4A103 G111A103-P107 WeakPolarHBondContact O-CD 3.31Å; A103-P107 WeakPolarHBondContact O-CG 3.31Å; P107-G111 PolarHBondContact O-N 2.75Å
108L88.1Confident85.3Confident19 Ų1950 Ų5010%0.09927%0.27CS..Hα-helixtrans-67.9-46.4179-70.1163.5000111.8M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.82Å; M71-L108 HydrophobicContact CG-CD2 4.03Å; M71-L108 HydrophobicContact SD-CD2 3.63Å; L75-L108 HydrophobicContact CD1-CD1 3.07Å; L75-L108 HydrophobicContact CD1-CD2 4.19Å; L75-L108 HydrophobicContact CD1-CG 4.22Å; L75-L108 HydrophobicContact CG-CD1 4.5Å; M104-L108 WeakPolarHBondContact O-CD1 3.38Å; M104-L108 WeakPolarHBondContact O-CG 3.48Å; A105-L108 PolarHBondContact O-N 3.04Å; I106-L108 VanDerWaalsContact C-N 3.34Å; I106-L108 PolarHBondContact O-N 3.31Å; L108-G111 PolarHBondContact O-N 3.26Å; L108-A112 PolarHBondContact O-N 3.4Å; L108-F214 HydrophobicContact CD1-CE1 4.23Å; L108-V218 HydrophobicContact CB-CG1 4.33Å
109W86.6Confident84.4Confident38 Ų3849 Ų4914%0.14427%0.269CS..Hα-helixtrans-62.9-47.4175.6171.389.6000111A105 I106 G111 A112 V113 L149 L150 P153A105-W109 VanDerWaalsContact O-CB 3.32Å; A105-W109 WeakPolarHBondContact O-CB 3.41Å; A105-W109 PolarHBondContact O-N 3.41Å; I106-W109 PolarHBondContact O-N 2.96Å; W109-G111 VanDerWaalsContact C-N 3.29Å; W109-G111 PolarHBondContact O-N 3.28Å; W109-A112 PolarHBondContact O-N 2.97Å; W109-A112 VanDerWaalsContact O-N 3.16Å; W109-V113 HydrophobicContact CD2-CG2 4.12Å; W109-V113 HydrophobicContact CH2-CG2 4.45Å; W109-V113 HydrophobicContact CZ2-CG2 3.95Å; W109-V113 WeakPolarHBondContact O-CG2 3.47Å; W109-V113 PolarHBondContact O-N 3.35Å; W109-L149 HydrophobicContact CH2-CD2 4.15Å; W109-L149 HydrophobicContact CZ2-CD2 3.45Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.45Å; W109-L149 HydrophobicContact CZ2-CG 3.93Å; W109-L149 VanDerWaalsContact CZ2-O 3.27Å; W109-L149 WeakPolarHBondContact CZ2-O 3.27Å; W109-L149 PolarHBondContact NE1-O 3.32Å; W109-L150 HydrophobicContact CH2-CD2 3.73Å; W109-L150 HydrophobicContact CZ2-CD2 4.25Å; W109-P153 HydrophobicContact CB-CB 3.88Å; W109-P153 HydrophobicContact CB-CG 4.37Å; W109-P153 HydrophobicContact CD2-CB 4.26Å; W109-P153 HydrophobicContact CD2-CG 3.77Å; W109-P153 HydrophobicContact CE3-CG 4.28Å; W109-P153 HydrophobicContact CG-CB 3.81Å; W109-P153 HydrophobicContact CG-CG 3.78Å
110A85.7Confident83.6Confident27 Ų2749.6 Ų49.622%0.22326%0.261CS..Hα-helixtrans-60.5-41.4178.400000110.9I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.27Å; I106-A110 PolarHBondContact O-N 3.36Å; A110-V113 PolarHBondContact O-N 2.95Å; A110-I114 HydrophobicContact CB-CD1 4.49Å; A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CD1 3.47Å; A110-I114 WeakPolarHBondContact O-CG1 3.22Å; A110-I114 PolarHBondContact O-N 2.93Å
111G85.9Confident82.6Confident21 Ų2153 Ų5322%0.21628%0.278CS..Hα-helixtrans-60.1-44.4175.100000113.1P107 L108 W109 M115P107-G111 PolarHBondContact O-N 2.75Å; L108-G111 PolarHBondContact O-N 3.26Å; W109-G111 VanDerWaalsContact C-N 3.29Å; W109-G111 PolarHBondContact O-N 3.28Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.41Å; G111-M115 PolarHBondContact O-N 2.88Å
112A83.9Confident81.4Confident1 Ų162 Ų621%0.00832%0.317CS..Hα-helixtrans-63.6-46176.700000111.9L108 W109 M115 G116 L222L108-A112 PolarHBondContact O-N 3.4Å; W109-A112 PolarHBondContact O-N 2.97Å; W109-A112 VanDerWaalsContact O-N 3.16Å; A112-M115 PolarHBondContact O-N 3.43Å; A112-G116 PolarHBondContact O-N 3.13Å; A112-L222 HydrophobicContact CB-CD1 4.4Å
113V83.4Confident80.5Confident15 Ų1564.6 Ų64.69%0.09133%0.332CS..Hα-helixtrans-64.6-46.5178.9172.60000111.4W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.12Å; W109-V113 HydrophobicContact CH2-CG2 4.45Å; W109-V113 HydrophobicContact CZ2-CG2 3.95Å; W109-V113 WeakPolarHBondContact O-CG2 3.47Å; W109-V113 PolarHBondContact O-N 3.35Å; A110-V113 PolarHBondContact O-N 2.95Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.45Å; V113-G116 PolarHBondContact O-N 3.39Å; V113-G116 VanDerWaalsContact O-N 3.14Å; V113-F117 HydrophobicContact CG1-CD2 3.63Å; V113-F117 HydrophobicContact CG1-CE2 3.39Å; V113-F117 VanDerWaalsContact O-CD2 3.23Å; V113-F117 WeakPolarHBondContact O-CD2 3.47Å; V113-F117 PolarHBondContact O-N 2.88Å
114I84.3Confident79.3Confident99 Ų9962.3 Ų62.351%0.50831%0.313SS..Hα-helixtrans-61.1-39.5177-68.2163.5000110.6A110 F117 R118A110-I114 HydrophobicContact CB-CD1 4.49Å; A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CD1 3.47Å; A110-I114 WeakPolarHBondContact O-CG1 3.22Å; A110-I114 PolarHBondContact O-N 2.93Å; I114-F117 PolarHBondContact O-N 3.42Å; I114-R118 HydrophobicContact CG2-CG 4.43Å; I114-R118 WeakPolarHBondContact O-CB 3.32Å; I114-R118 VanDerWaalsContact O-CG 3.3Å; I114-R118 WeakPolarHBondContact O-CG 3.39Å; I114-R118 PolarHBondContact O-N 3.21Å
115M81.7Confident78.2Confident47 Ų4765.5 Ų65.523%0.23233%0.33CS..Hα-helixtrans-65.1-38.3176-173.1172-179.600112.2W68 G111 A112 V113 R118 S119 L222 T226W68-M115 HydrophobicContact CZ2-SD 4.05Å; W68-M115 PolarHBondContact NE1-SD 3.38Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.41Å; G111-M115 PolarHBondContact O-N 2.88Å; A112-M115 PolarHBondContact O-N 3.43Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.45Å; M115-R118 PolarHBondContact O-N 3.29Å; M115-S119 WeakPolarHBondContact O-CB 3.08Å; M115-S119 PolarHBondContact O-N 2.67Å; M115-S119 PolarHBondContact O-OG 3.28Å; M115-S119 VanDerWaalsContact O-OG 3.11Å; M115-L222 HydrophobicContact SD-CD1 4.36Å; M115-T226 HydrophobicContact CE-CG2 4.36Å
116G76.8Confident77Confident1 Ų168 Ų681%0.0135%0.35CS..Hα-helixtrans-61.6-50.8173.500000112.7A112 V113 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 3.13Å; V113-G116 PolarHBondContact O-N 3.39Å; V113-G116 VanDerWaalsContact O-N 3.14Å; G116-R118 VanDerWaalsContact C-N 3.3Å; G116-R118 PolarHBondContact O-N 3.31Å; G116-S119 PolarHBondContact O-N 3.4Å; G116-S119 PolarHBondContact O-OG 3.49Å; G116-K120 PolarHBondContact O-N 2.84Å; G116-N225 VanDerWaalsContact CA-O 3.24Å; G116-N225 WeakPolarHBondContact CA-O 3.23Å
117F78.4Confident75.8Confident80 Ų8069.5 Ų69.535%0.35136%0.355SS..Hα-helixtrans-59.6-39.9175.5-78.3-65.4000112.2V113 I114 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.63Å; V113-F117 HydrophobicContact CG1-CE2 3.39Å; V113-F117 VanDerWaalsContact O-CD2 3.23Å; V113-F117 WeakPolarHBondContact O-CD2 3.47Å; V113-F117 PolarHBondContact O-N 2.88Å; I114-F117 PolarHBondContact O-N 3.42Å; F117-I121 WeakPolarHBondContact O-CG1 3.38Å; F117-A124 HydrophobicContact CD1-CB 4.28Å; F117-A124 HydrophobicContact CE1-CB 4.36Å; F117-L125 HydrophobicContact CD1-CD1 4.32Å; F117-L125 HydrophobicContact CE1-CD1 3.95Å; F117-F128 HydrophobicContact CZ-CE2 4.41Å
118R76.9Confident74.5Confident214 Ų21467.6 Ų67.681%0.80834%0.339SS*.Hα-helixtrans-70.5-34.3178.7-73.6-178.270.6-169.42.3113.6I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.43Å; I114-R118 WeakPolarHBondContact O-CB 3.32Å; I114-R118 VanDerWaalsContact O-CG 3.3Å; I114-R118 WeakPolarHBondContact O-CG 3.39Å; I114-R118 PolarHBondContact O-N 3.21Å; M115-R118 PolarHBondContact O-N 3.29Å; G116-R118 VanDerWaalsContact C-N 3.3Å; G116-R118 PolarHBondContact O-N 3.31Å
119S68.8Low73.3Confident47 Ų4769.6 Ų69.633%0.32935%0.35SS..Hα-helixtrans-89-39.2-172.871.90000113.5M115 G116M115-S119 WeakPolarHBondContact O-CB 3.08Å; M115-S119 PolarHBondContact O-N 2.67Å; M115-S119 PolarHBondContact O-OG 3.28Å; M115-S119 VanDerWaalsContact O-OG 3.11Å; G116-S119 PolarHBondContact O-N 3.4Å; G116-S119 PolarHBondContact O-OG 3.49Å
120K70.5Confident72.1Confident93 Ų9371.1 Ų71.140%0.40436%0.364SS..  trans-147.272.8-176.7-67.9175.8-179.2159.10111.4G116 K122 N123 A124 T226G116-K120 PolarHBondContact O-N 2.84Å; K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 2.84Å; K120-N123 HydrophobicContact CB-CB 3.92Å; K120-N123 HydrophobicContact CD-CB 4.27Å; K120-N123 PolarHBondContact O-N 2.88Å; K120-N123 VanDerWaalsContact O-N 3.12Å; K120-A124 WeakPolarHBondContact O-CB 3.46Å; K120-A124 PolarHBondContact O-N 3.43Å; K120-T226 WeakPolarHBondContact CE-O 3.5Å; K120-T226 PolarHBondContact NZ-O 3.48Å; K120-T226 PolarHBondContact NZ-OXT 3.14Å
121I66.2Low71Confident112 Ų11279.4 Ų79.457%0.57440%0.399SS*.Hα-helixtrans-47.7-49177.1-60.5171000111.6F117 N123 A124 L125F117-I121 WeakPolarHBondContact O-CG1 3.38Å; I121-N123 PolarHBondContact O-N 3.23Å; I121-A124 PolarHBondContact O-N 3.34Å; I121-L125 HydrophobicContact CG2-CD1 3.7Å; I121-L125 WeakPolarHBondContact O-CD1 3.24Å; I121-L125 PolarHBondContact O-N 3.2Å
122K64.3Low69.8Low189 Ų18982.4 Ų82.482%0.82243%0.429SS*.Hα-helixtrans-66-37.8-176.2-64.6-175.7-179.7-177.50113.4K120 A126K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 2.84Å; K122-A126 VanDerWaalsContact O-CB 3.26Å; K122-A126 WeakPolarHBondContact O-CB 3.31Å; K122-A126 PolarHBondContact O-N 3.26Å
123N67.4Low69.2Low100 Ų10084 Ų8454%0.53544%0.439SS..Hα-helixtrans-78.7-36-178-14959.6000111.3K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.92Å; K120-N123 HydrophobicContact CD-CB 4.27Å; K120-N123 PolarHBondContact O-N 2.88Å; K120-N123 VanDerWaalsContact O-N 3.12Å; I121-N123 PolarHBondContact O-N 3.23Å; N123-A126 PolarHBondContact O-N 3.21Å; N123-H127 PolarHBondContact O-N 2.97Å; N123-H127 VanDerWaalsContact O-N 3.09Å
124A63.9Low68.7Low17 Ų1786.8 Ų86.814%0.1446%0.457CS..Hα-helixtrans-63.2-43.2173.300000111.5F117 K120 I121 H127F117-A124 HydrophobicContact CD1-CB 4.28Å; F117-A124 HydrophobicContact CE1-CB 4.36Å; K120-A124 WeakPolarHBondContact O-CB 3.46Å; K120-A124 PolarHBondContact O-N 3.43Å; I121-A124 PolarHBondContact O-N 3.34Å; A124-H127 PolarHBondContact O-N 3.37Å
125L63.6Low68.3Low95 Ų9587.7 Ų87.750%0.49747%0.468SS..Hα-helixtrans-70.4-31.8174.1-85.291.1000113F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.32Å; F117-L125 HydrophobicContact CE1-CD1 3.95Å; I121-L125 HydrophobicContact CG2-CD1 3.7Å; I121-L125 WeakPolarHBondContact O-CD1 3.24Å; I121-L125 PolarHBondContact O-N 3.2Å; L125-H127 VanDerWaalsContact C-N 3.29Å; L125-H127 PolarHBondContact O-N 3.45Å; L125-F128 PolarHBondContact O-N 3.39Å
126A61.9Low68.3Low53 Ų5390.4 Ų90.444%0.43849%0.489SS..Hα-helixtrans-67.8-28.4176.700000112.6K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.26Å; K122-A126 WeakPolarHBondContact O-CB 3.31Å; K122-A126 PolarHBondContact O-N 3.26Å; N123-A126 PolarHBondContact O-N 3.21Å; A126-F128 PolarHBondContact O-N 2.96Å; A126-L129 PolarHBondContact O-N 2.83Å; A126-L129 VanDerWaalsContact O-N 3.1Å
127H64.2Low68.5Low114 Ų11495.4 Ų95.453%0.52852%0.515SS..THydrogen-bonded Turntrans-64.9-21175.5-162.8-64000112.9N123 A124 L125 L129N123-H127 PolarHBondContact O-N 2.97Å; N123-H127 VanDerWaalsContact O-N 3.09Å; A124-H127 PolarHBondContact O-N 3.37Å; L125-H127 VanDerWaalsContact C-N 3.29Å; L125-H127 PolarHBondContact O-N 3.45Å; H127-L129 PolarHBondContact O-N 3.06Å
128F62.4Low68.5Low37 Ų3793.9 Ų93.916%0.16251%0.51CS..THydrogen-bonded Turntrans-69.1-15174-68.2-56.2000113.5F117 L125 A126 L141 E145 T146 L149F117-F128 HydrophobicContact CZ-CE2 4.41Å; L125-F128 PolarHBondContact O-N 3.39Å; A126-F128 PolarHBondContact O-N 2.96Å; F128-L141 WeakPolarHBondContact O-CD2 3.49Å; F128-E145 HydrophobicContact CD1-CB 4.26Å; F128-E145 HydrophobicContact CD1-CG 3.86Å; F128-T146 HydrophobicContact CD1-CG2 4.28Å; F128-T146 HydrophobicContact CE1-CG2 4.11Å; F128-L149 HydrophobicContact CE1-CD1 4.4Å
129L63.2Low68.7Low61 Ų6187.8 Ų87.832%0.31950%0.498SS..SBendtrans-122.3117.6176-97.177.8000111A126 H127 Q131 I138 V142A126-L129 PolarHBondContact O-N 2.83Å; A126-L129 VanDerWaalsContact O-N 3.1Å; H127-L129 PolarHBondContact O-N 3.06Å; L129-Q131 PolarHBondContact O-N 2.68Å; L129-I138 HydrophobicContact CD1-CG2 4.09Å; L129-I138 HydrophobicContact CD2-CD1 4.15Å; L129-I138 HydrophobicContact CD2-CG1 4.18Å; L129-I138 HydrophobicContact CD2-CG2 3.77Å; L129-I138 HydrophobicContact CG-CG2 4.2Å; L129-V142 HydrophobicContact CD1-CG2 3.33Å
130P60.6Low69.3Low70 Ų7091 Ų9146%0.45551%0.509SS..  trans-62.9138.4163.917.4-16.9000109.6G132 T133 L141P130-G132 PolarHBondContact O-N 3.15Å; P130-T133 HydrophobicContact CB-CG2 4.4Å; P130-T133 HydrophobicContact CG-CG2 3.7Å; P130-T133 WeakPolarHBondContact O-CG2 3.15Å; P130-T133 PolarHBondContact O-OG1 2.91Å; P130-L141 HydrophobicContact CG-CD1 3.82Å; P130-L141 HydrophobicContact CG-CD2 3.95Å
131Q61.7Low70Confident202 Ų20288.9 Ų88.994%0.94450%0.502SS*.THydrogen-bonded Turntrans-63.3130.5-179.9-63-168.90.700110L129L129-Q131 PolarHBondContact O-N 2.68Å
132G62.2Low70.7Confident83 Ų8385.7 Ų85.786%0.85649%0.487SS*.THydrogen-bonded Turntrans93.216.3177.400000115.8P130P130-G132 PolarHBondContact O-N 3.15Å
133T70.3Confident71.7Confident35 Ų3581 Ų8122%0.21547%0.47CS..  trans-72.4134.4174.743.50000112.1P130 L141P130-T133 HydrophobicContact CB-CG2 4.4Å; P130-T133 HydrophobicContact CG-CG2 3.7Å; P130-T133 WeakPolarHBondContact O-CG2 3.15Å; P130-T133 PolarHBondContact O-OG1 2.91Å; T133-L141 HydrophobicContact CG2-CD1 3.9Å
134P74.1Confident72.6Confident73 Ų7380.6 Ų80.647%0.47447%0.467SS..  trans-67.8138.7177.228.7-34.4000110.3P136 L137P134-P136 VanDerWaalsContact C-N 3.34Å; P134-P136 WeakPolarHBondContact O-CD 3.17Å; P134-P136 VanDerWaalsContact O-N 3.08Å; P134-L137 HydrophobicContact CG-CB 4.34Å; P134-L137 HydrophobicContact CG-CD1 3.72Å; P134-L137 HydrophobicContact CG-CG 4.17Å; P134-L137 PolarHBondContact O-N 2.87Å
135T75.4Confident73.5Confident119 Ų11982.5 Ų82.573%0.7347%0.473SS*.THydrogen-bonded Turntrans-48.1-35.3-17248.80000116.9
136P82.3Confident74.4Confident104 Ų10480.5 Ų80.568%0.67547%0.465SS*.THydrogen-bonded Turntrans-75.6-22.7178.426.9-34.5000114.8P134 P139P134-P136 VanDerWaalsContact C-N 3.34Å; P134-P136 WeakPolarHBondContact O-CD 3.17Å; P134-P136 VanDerWaalsContact O-N 3.08Å; P136-P139 WeakPolarHBondContact O-CD 3.3Å
137L80.1Confident75.5Confident105 Ų10582 Ų8255%0.5547%0.465SS..THydrogen-bonded Turntrans-87.6-11.4-177.6-67.1177.6000113.3P134 M140 L141P134-L137 HydrophobicContact CG-CB 4.34Å; P134-L137 HydrophobicContact CG-CD1 3.72Å; P134-L137 HydrophobicContact CG-CG 4.17Å; P134-L137 PolarHBondContact O-N 2.87Å; L137-M140 PolarHBondContact O-N 3.44Å; L137-L141 PolarHBondContact O-N 2.88Å; L137-L141 VanDerWaalsContact O-N 3.11Å
138I79Confident76.4Confident49 Ų4979 Ų7925%0.25146%0.456SS..Hα-helixtrans-55.3-49.1-176.5-65175.7000112.6L129 M140 L141 V142L129-I138 HydrophobicContact CD1-CG2 4.09Å; L129-I138 HydrophobicContact CD2-CD1 4.15Å; L129-I138 HydrophobicContact CD2-CG1 4.18Å; L129-I138 HydrophobicContact CD2-CG2 3.77Å; L129-I138 HydrophobicContact CG-CG2 4.2Å; I138-M140 VanDerWaalsContact C-N 3.32Å; I138-M140 PolarHBondContact O-N 3.13Å; I138-L141 PolarHBondContact O-N 2.93Å; I138-V142 HydrophobicContact CG2-CG2 4.4Å; I138-V142 WeakPolarHBondContact O-CG2 3.42Å; I138-V142 PolarHBondContact O-N 3.08Å; I138-V142 VanDerWaalsContact O-N 3.12Å
139P79.6Confident77.4Confident85 Ų8579.2 Ų79.255%0.55246%0.459SS*.Hα-helixtrans-64-37.3-175.7-20.933.6000112.8P136 I143P136-P139 WeakPolarHBondContact O-CD 3.3Å; P139-I143 WeakPolarHBondContact O-CG1 3.49Å; P139-I143 PolarHBondContact O-N 3.22Å
140M83Confident78.3Confident116 Ų11681.5 Ų81.557%0.57147%0.471SS*.Hα-helixtrans-69.4-41.5178.9-17463.7-172.400111.5L137 I138 I143 I144L137-M140 PolarHBondContact O-N 3.44Å; I138-M140 VanDerWaalsContact C-N 3.32Å; I138-M140 PolarHBondContact O-N 3.13Å; M140-I143 PolarHBondContact O-N 3.06Å; M140-I144 HydrophobicContact CE-CD1 3.98Å; M140-I144 HydrophobicContact CE-CG1 4.2Å; M140-I144 HydrophobicContact CG-CD1 4.13Å; M140-I144 WeakPolarHBondContact O-CG1 3.39Å; M140-I144 PolarHBondContact O-N 2.93Å; M140-I144 VanDerWaalsContact O-N 3.14Å
141L84.8Confident79.5Confident47 Ų4782.9 Ų82.925%0.24647%0.474CS..Hα-helixtrans-67.6-39.8-177.8-167.1149.3000112F128 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 3.49Å; P130-L141 HydrophobicContact CG-CD1 3.82Å; P130-L141 HydrophobicContact CG-CD2 3.95Å; T133-L141 HydrophobicContact CG2-CD1 3.9Å; L137-L141 PolarHBondContact O-N 2.88Å; L137-L141 VanDerWaalsContact O-N 3.11Å; I138-L141 PolarHBondContact O-N 2.93Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 3.24Å; L141-I144 PolarHBondContact O-N 3.31Å; L141-E145 PolarHBondContact O-N 3.47Å
142V81.4Confident80.6Confident45 Ų4576.6 Ų76.627%0.27344%0.444SS..Hα-helixtrans-58-43.7175173.40000111L129 I138 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.33Å; I138-V142 HydrophobicContact CG2-CG2 4.4Å; I138-V142 WeakPolarHBondContact O-CG2 3.42Å; I138-V142 PolarHBondContact O-N 3.08Å; I138-V142 VanDerWaalsContact O-N 3.12Å; V142-E145 PolarHBondContact O-N 3.33Å; V142-T146 HydrophobicContact CG1-CG2 4.25Å; V142-T146 WeakPolarHBondContact O-CG2 3.42Å; V142-T146 PolarHBondContact O-N 3.41Å; V142-T146 PolarHBondContact O-OG1 2.98Å
143I84.8Confident81.4Confident91 Ų9173 Ų7347%0.46741%0.406SS..Hα-helixtrans-61.5-47.5177.9-66.2166.7000110.2P139 M140 L141 E145 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.49Å; P139-I143 PolarHBondContact O-N 3.22Å; M140-I143 PolarHBondContact O-N 3.06Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 3.24Å; I143-E145 PolarHBondContact O-N 2.98Å; I143-T146 PolarHBondContact O-N 2.73Å; I143-T146 PolarHBondContact O-OG1 3.04Å; I143-I147 HydrophobicContact CG2-CD1 3.77Å; I143-I147 VanDerWaalsContact O-CG1 3.31Å; I143-I147 WeakPolarHBondContact O-CG1 3.34Å; I143-I147 PolarHBondContact O-N 2.98Å
144I86.1Confident82Confident91 Ų9175.1 Ų75.147%0.46741%0.414SS..Hα-helixtrans-61.4-44.2179.7-64.2166.2000111.1M140 L141 I147 S148M140-I144 HydrophobicContact CE-CD1 3.98Å; M140-I144 HydrophobicContact CE-CG1 4.2Å; M140-I144 HydrophobicContact CG-CD1 4.13Å; M140-I144 WeakPolarHBondContact O-CG1 3.39Å; M140-I144 PolarHBondContact O-N 2.93Å; M140-I144 VanDerWaalsContact O-N 3.14Å; L141-I144 PolarHBondContact O-N 3.31Å; I144-I147 PolarHBondContact O-N 3.08Å; I144-S148 WeakPolarHBondContact O-CB 3.47Å; I144-S148 PolarHBondContact O-N 3.32Å
145E83.8Confident82.5Confident58 Ų5873.6 Ų73.627%0.27141%0.408SS..Hα-helixtrans-66.8-39.3-179.3-166.761.5-159.900111.7F128 L141 V142 I143 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.26Å; F128-E145 HydrophobicContact CD1-CG 3.86Å; L141-E145 PolarHBondContact O-N 3.47Å; V142-E145 PolarHBondContact O-N 3.33Å; I143-E145 PolarHBondContact O-N 2.98Å; E145-I147 VanDerWaalsContact C-N 3.31Å; E145-I147 PolarHBondContact O-N 3.49Å; E145-S148 WeakPolarHBondContact O-CB 3.29Å; E145-S148 PolarHBondContact O-N 3.25Å; E145-L149 WeakPolarHBondContact O-CB 2.96Å; E145-L149 PolarHBondContact O-N 2.88Å
146T81.2Confident82.8Confident53 Ų5368.2 Ų68.233%0.32538%0.375SS..Hα-helixtrans-62.7-38.5174.5630000112.1F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.28Å; F128-T146 HydrophobicContact CE1-CG2 4.11Å; V142-T146 HydrophobicContact CG1-CG2 4.25Å; V142-T146 WeakPolarHBondContact O-CG2 3.42Å; V142-T146 PolarHBondContact O-N 3.41Å; V142-T146 PolarHBondContact O-OG1 2.98Å; I143-T146 PolarHBondContact O-N 2.73Å; I143-T146 PolarHBondContact O-OG1 3.04Å; T146-L150 WeakPolarHBondContact O-CG 3.45Å; T146-L150 PolarHBondContact O-N 3.47Å
147I85.4Confident82.8Confident84 Ų8463.2 Ų63.243%0.43134%0.342SS..Hα-helixtrans-68.8-43.5175.4-67.6167.2000110.5I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.77Å; I143-I147 VanDerWaalsContact O-CG1 3.31Å; I143-I147 WeakPolarHBondContact O-CG1 3.34Å; I143-I147 PolarHBondContact O-N 2.98Å; I144-I147 PolarHBondContact O-N 3.08Å; E145-I147 VanDerWaalsContact C-N 3.31Å; E145-I147 PolarHBondContact O-N 3.49Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 2.94Å; I147-L150 PolarHBondContact O-N 3.38Å; I147-L150 VanDerWaalsContact O-N 3.16Å; I147-I151 HydrophobicContact CG2-CD1 3.47Å; I147-I151 VanDerWaalsContact CG2-CD1 3.47Å; I147-I151 HydrophobicContact CG2-CG1 4.13Å; I147-I151 WeakPolarHBondContact O-CG1 3.29Å; I147-I151 PolarHBondContact O-N 3.47Å
148S83.9Confident83.2Confident50 Ų5061.2 Ų61.235%0.3533%0.334SS..Hα-helixtrans-57.2-46.8177.7-176.50000111.7I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.47Å; I144-S148 PolarHBondContact O-N 3.32Å; E145-S148 WeakPolarHBondContact O-CB 3.29Å; E145-S148 PolarHBondContact O-N 3.25Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 2.96Å; S148-I151 PolarHBondContact O-N 2.97Å; S148-Q152 PolarHBondContact O-N 3.3Å; S148-Q152 VanDerWaalsContact O-N 3.12Å
149L82.8Confident83.6Confident43 Ų4363.5 Ų63.523%0.22534%0.34CS..Hα-helixtrans-60.8-35.7177.8-175.2124.7000112.3W109 F128 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.15Å; W109-L149 HydrophobicContact CZ2-CD2 3.45Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.45Å; W109-L149 HydrophobicContact CZ2-CG 3.93Å; W109-L149 VanDerWaalsContact CZ2-O 3.27Å; W109-L149 WeakPolarHBondContact CZ2-O 3.27Å; W109-L149 PolarHBondContact NE1-O 3.32Å; F128-L149 HydrophobicContact CE1-CD1 4.4Å; E145-L149 WeakPolarHBondContact O-CB 2.96Å; E145-L149 PolarHBondContact O-N 2.88Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 2.94Å; L149-P153 WeakPolarHBondContact O-CD 3.2Å
150L82.6Confident83.7Confident109 Ų10959.5 Ų59.557%0.57131%0.313SS*.Hα-helixtrans-77.9-34.9176.6-71.4173.3000113.7W109 T146 I147 S148 P153W109-L150 HydrophobicContact CH2-CD2 3.73Å; W109-L150 HydrophobicContact CZ2-CD2 4.25Å; T146-L150 WeakPolarHBondContact O-CG 3.45Å; T146-L150 PolarHBondContact O-N 3.47Å; I147-L150 PolarHBondContact O-N 3.38Å; I147-L150 VanDerWaalsContact O-N 3.16Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 2.96Å; L150-P153 WeakPolarHBondContact O-CD 3.2Å; L150-P153 WeakPolarHBondContact O-CG 3.22Å
151I85.5Confident83.8Confident99 Ų9954.6 Ų54.651%0.50829%0.29SS..Hα-helixtrans-72.9-31.8-179-70173.3000111.3I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.47Å; I147-I151 VanDerWaalsContact CG2-CD1 3.47Å; I147-I151 HydrophobicContact CG2-CG1 4.13Å; I147-I151 WeakPolarHBondContact O-CG1 3.29Å; I147-I151 PolarHBondContact O-N 3.47Å; S148-I151 PolarHBondContact O-N 2.97Å; I151-M154 WeakPolarHBondContact O-CB 3.11Å; I151-M154 PolarHBondContact O-N 3.12Å; I151-M154 VanDerWaalsContact O-N 3.12Å; I151-A155 HydrophobicContact CG2-CB 4.39Å; I151-A155 WeakPolarHBondContact O-CB 3.36Å; I151-A155 PolarHBondContact O-N 3.39Å
152Q83.4Confident83.8Confident70 Ų7054.4 Ų54.433%0.32730%0.295SS..Hα-helixtrans-50.7-53.3-177.8-105.2175.1-21.400116.2S148 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 3.3Å; S148-Q152 VanDerWaalsContact O-N 3.12Å; Q152-M154 VanDerWaalsContact C-N 3.27Å; Q152-M154 PolarHBondContact O-N 2.95Å; Q152-A155 PolarHBondContact O-N 3.49Å; Q152-L156 WeakPolarHBondContact O-CB 3.41Å; Q152-L156 PolarHBondContact O-N 3.31Å; Q152-Y221 WeakPolarHBondContact CB-OH 3.42Å; Q152-Y221 HydrophobicContact CG-CE1 4.34Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.48Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.31Å; Q152-Y221 PolarHBondContact NE2-OH 3.47Å; Q152-Y221 PolarHBondContact OE1-OH 2.88Å
153P79.2Confident84.2Confident8 Ų855.1 Ų55.15%0.05230%0.298CS..Hα-helixtrans-63.9-34.6178.524.2-34.8000112.1W109 L149 L150 A157W109-P153 HydrophobicContact CB-CB 3.88Å; W109-P153 HydrophobicContact CB-CG 4.37Å; W109-P153 HydrophobicContact CD2-CB 4.26Å; W109-P153 HydrophobicContact CD2-CG 3.77Å; W109-P153 HydrophobicContact CE3-CG 4.28Å; W109-P153 HydrophobicContact CG-CB 3.81Å; W109-P153 HydrophobicContact CG-CG 3.78Å; L149-P153 WeakPolarHBondContact O-CD 3.2Å; L150-P153 WeakPolarHBondContact O-CD 3.2Å; L150-P153 WeakPolarHBondContact O-CG 3.22Å; P153-A157 PolarHBondContact O-N 3.1Å
154M83.9Confident84.2Confident79 Ų7951.1 Ų51.139%0.38928%0.277SS..Hα-helixtrans-67-45.9175.5-168.867.6-168.800111.2L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD1-CE 4.48Å; L98-M154 HydrophobicContact CD2-CE 4.08Å; L102-M154 HydrophobicContact CD1-SD 3.42Å; L102-M154 WeakPolarHBondContact CD1-SD 3.33Å; L102-M154 HydrophobicContact CD2-SD 4.25Å; L102-M154 HydrophobicContact CG-SD 4.48Å; I151-M154 WeakPolarHBondContact O-CB 3.11Å; I151-M154 PolarHBondContact O-N 3.12Å; I151-M154 VanDerWaalsContact O-N 3.12Å; Q152-M154 VanDerWaalsContact C-N 3.27Å; Q152-M154 PolarHBondContact O-N 2.95Å; M154-L156 VanDerWaalsContact C-N 3.28Å; M154-L156 PolarHBondContact O-N 3.48Å; M154-A157 PolarHBondContact O-N 3Å; M154-V158 HydrophobicContact CE-CG2 4Å; M154-V158 HydrophobicContact CG-CG2 4.46Å; M154-V158 VanDerWaalsContact O-CG2 3.31Å; M154-V158 WeakPolarHBondContact O-CG2 3.22Å; M154-V158 PolarHBondContact O-N 3.41Å
155A85.3Confident84.3Confident41 Ų4148.6 Ų48.634%0.33927%0.266SS..Hα-helixtrans-61.7-37.1178.700000112I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.39Å; I151-A155 WeakPolarHBondContact O-CB 3.36Å; I151-A155 PolarHBondContact O-N 3.39Å; Q152-A155 PolarHBondContact O-N 3.49Å; A155-R159 VanDerWaalsContact O-CB 3.3Å; A155-R159 WeakPolarHBondContact O-CB 3.33Å; A155-R159 PolarHBondContact O-N 2.96Å
156L80.1Confident84.4Confident5 Ų548.4 Ų48.43%0.02627%0.274CS..Hα-helixtrans-62.2-48.5174.6-163.586.1000111.8Q152 M154 R159 L160 F214 L217 V218Q152-L156 WeakPolarHBondContact O-CB 3.41Å; Q152-L156 PolarHBondContact O-N 3.31Å; M154-L156 VanDerWaalsContact C-N 3.28Å; M154-L156 PolarHBondContact O-N 3.48Å; L156-R159 PolarHBondContact O-N 2.92Å; L156-L160 PolarHBondContact O-N 3.17Å; L156-F214 HydrophobicContact CD1-CD2 4.32Å; L156-F214 HydrophobicContact CD2-CD1 4.04Å; L156-F214 HydrophobicContact CD2-CD2 3.29Å; L156-F214 HydrophobicContact CD2-CE1 3.92Å; L156-F214 HydrophobicContact CD2-CE2 3.17Å; L156-F214 HydrophobicContact CD2-CG 3.75Å; L156-F214 HydrophobicContact CD2-CZ 3.51Å; L156-F214 HydrophobicContact CG-CD2 3.48Å; L156-F214 VanDerWaalsContact CG-CD2 3.48Å; L156-F214 HydrophobicContact CG-CE2 3.71Å; L156-F214 HydrophobicContact CG-CG 4.13Å; L156-F214 HydrophobicContact CG-CZ 4.5Å; L156-L217 HydrophobicContact CD1-CB 3.9Å; L156-L217 HydrophobicContact CD1-CD1 3.33Å; L156-L217 HydrophobicContact CD1-CG 4.24Å; L156-V218 HydrophobicContact CD2-CG2 4.35Å
157A83.8Confident84.8Confident0 Ų046.1 Ų46.10%026%0.262CS..Hα-helixtrans-64.1-44.7-179.900000111.8L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.37Å; N101-A157 HydrophobicContact CB-CB 3.91Å; N101-A157 PolarHBondContact ND2-O 3.37Å; L102-A157 HydrophobicContact CB-CB 4.48Å; L102-A157 HydrophobicContact CD1-CB 4.16Å; A105-A157 HydrophobicContact CB-CB 4.24Å; P153-A157 PolarHBondContact O-N 3.1Å; M154-A157 PolarHBondContact O-N 3Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.46Å; A157-L160 PolarHBondContact O-N 3.37Å; A157-T161 PolarHBondContact O-N 3.35Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 3.46Å
158V87.1Confident84.9Confident62 Ų6243.7 Ų43.738%0.37625%0.248SC..Hα-helixtrans-64-38.5177.3172.80000111.4L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.91Å; M154-V158 HydrophobicContact CE-CG2 4Å; M154-V158 HydrophobicContact CG-CG2 4.46Å; M154-V158 VanDerWaalsContact O-CG2 3.31Å; M154-V158 WeakPolarHBondContact O-CG2 3.22Å; M154-V158 PolarHBondContact O-N 3.41Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 3.49Å; V158-T161 WeakPolarHBondContact CA-OG1 3.1Å; V158-T161 PolarHBondContact O-N 3.2Å; V158-T161 PolarHBondContact O-OG1 3.5Å; V158-A162 WeakPolarHBondContact O-CB 3.17Å; V158-A162 PolarHBondContact O-N 2.86Å
159R87.3Confident85.1Confident98 Ų9843.2 Ų43.237%0.3724%0.242SC..Hα-helixtrans-61-43.3177.6-169-172.8-59.71532.7111.7A155 L156 A157 N163 Q210A155-R159 VanDerWaalsContact O-CB 3.3Å; A155-R159 WeakPolarHBondContact O-CB 3.33Å; A155-R159 PolarHBondContact O-N 2.96Å; L156-R159 PolarHBondContact O-N 2.92Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.46Å; R159-N163 VanDerWaalsContact O-CG 3.28Å; R159-N163 PolarHBondContact O-N 3.22Å; R159-Q210 VanDerWaalsContact C-NE2 3.29Å; R159-Q210 VanDerWaalsContact CG-NE2 3.34Å
160L81.6Confident85.5Confident0 Ų045 Ų450%025%0.251CS..Hα-helixtrans-66.9-44.2179.6179.369.4000110.8I79 N83 T95 N101 L156 A157 V158 I164 Q210I79-L160 HydrophobicContact CG2-CD1 4.05Å; I79-L160 HydrophobicContact CG2-CD2 4.23Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.46Å; T95-L160 HydrophobicContact CG2-CD2 4.4Å; N101-L160 HydrophobicContact CB-CD2 4.26Å; N101-L160 WeakPolarHBondContact ND2-CB 3.23Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.45Å; N101-L160 VanDerWaalsContact ND2-CG 3.32Å; N101-L160 WeakPolarHBondContact ND2-CG 3.47Å; N101-L160 VanDerWaalsContact OD1-CD2 3.23Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.47Å; L156-L160 PolarHBondContact O-N 3.17Å; A157-L160 PolarHBondContact O-N 3.37Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 3.49Å; L160-I164 HydrophobicContact CD1-CD1 3.8Å; L160-I164 HydrophobicContact CG-CD1 4.23Å; L160-I164 WeakPolarHBondContact O-CG1 3.35Å; L160-I164 PolarHBondContact O-N 2.96Å; L160-Q210 HydrophobicContact CB-CG 4.27Å; L160-Q210 HydrophobicContact CD1-CB 4.37Å; L160-Q210 HydrophobicContact CD1-CG 3.39Å; L160-Q210 HydrophobicContact CG-CG 4.42Å
161T85.7Confident85.9Confident13 Ų1341.2 Ų41.28%0.0823%0.231CC..Hα-helixtrans-65.9-45.4177.149.10000112.4A96 L98 N101 A157 V158 N163 I164 T165A96-T161 WeakPolarHBondContact O-CG2 3.14Å; L98-T161 VanDerWaalsContact CA-CG2 3.42Å; L98-T161 HydrophobicContact CB-CG2 4Å; L98-T161 HydrophobicContact CD1-CG2 4.01Å; N101-T161 HydrophobicContact CB-CG2 4.34Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.34Å; N101-T161 PolarHBondContact ND2-N 2.99Å; A157-T161 PolarHBondContact O-N 3.35Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 3.46Å; V158-T161 WeakPolarHBondContact CA-OG1 3.1Å; V158-T161 PolarHBondContact O-N 3.2Å; V158-T161 PolarHBondContact O-OG1 3.5Å; T161-N163 PolarHBondContact O-N 3.34Å; T161-I164 PolarHBondContact O-N 3.22Å; T161-T165 VanDerWaalsContact O-CB 3.3Å; T161-T165 WeakPolarHBondContact O-CB 3.47Å; T161-T165 VanDerWaalsContact O-CG2 3.22Å; T161-T165 WeakPolarHBondContact O-CG2 3.17Å; T161-T165 PolarHBondContact O-N 2.92Å; T161-T165 PolarHBondContact O-OG1 2.89Å
162A85.4Confident86Confident43 Ų4340.6 Ų40.636%0.35523%0.225SC..Hα-helixtrans-63.2-43.8-173.500000111V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.17Å; V158-A162 PolarHBondContact O-N 2.86Å; A162-T165 PolarHBondContact O-OG1 2.78Å; A162-A166 WeakPolarHBondContact O-CB 3.39Å; A162-A166 PolarHBondContact O-N 3.42Å
163N88.3Confident86.4Confident60 Ų6041.6 Ų41.632%0.32123%0.233SC..Hα-helixtrans-64-48.4-179.9-69.4-6000111.3R159 T161 G167 V206R159-N163 VanDerWaalsContact O-CG 3.28Å; R159-N163 PolarHBondContact O-N 3.22Å; T161-N163 PolarHBondContact O-N 3.34Å; N163-G167 PolarHBondContact O-N 2.83Å; N163-V206 HydrophobicContact CB-CG1 4.08Å
164I85.1Confident87Confident8 Ų842.8 Ų42.84%0.04124%0.238CC..Hα-helixtrans-69.8-41.8-177-62.2173.6000111.3N83 T95 A96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.35Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.37Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.44Å; A96-I164 HydrophobicContact CB-CG2 4.35Å; L160-I164 HydrophobicContact CD1-CD1 3.8Å; L160-I164 HydrophobicContact CG-CD1 4.23Å; L160-I164 WeakPolarHBondContact O-CG1 3.35Å; L160-I164 PolarHBondContact O-N 2.96Å; T161-I164 PolarHBondContact O-N 3.22Å; I164-H168 WeakPolarHBondContact O-CB 3.44Å; I164-H168 PolarHBondContact O-CD2 3.33Å; I164-H168 VanDerWaalsContact O-CD2 3.31Å; I164-H168 PolarHBondContact O-N 3.44Å; I164-H168 VanDerWaalsContact O-N 3.1Å
165T87.9Confident87.3Confident37 Ų3740.1 Ų40.123%0.22723%0.231CC..Hα-helixtrans-66.5-46.7178.153.20000111.5F9 A96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.33Å; F9-T165 HydrophobicContact CE1-CG2 3.97Å; A96-T165 HydrophobicContact CB-CG2 3.66Å; T161-T165 VanDerWaalsContact O-CB 3.3Å; T161-T165 WeakPolarHBondContact O-CB 3.47Å; T161-T165 VanDerWaalsContact O-CG2 3.22Å; T161-T165 WeakPolarHBondContact O-CG2 3.17Å; T161-T165 PolarHBondContact O-N 2.92Å; T161-T165 PolarHBondContact O-OG1 2.89Å; A162-T165 PolarHBondContact O-OG1 2.78Å; T165-H168 PolarHBondContact O-N 2.6Å; T165-L169 WeakPolarHBondContact O-CB 3.05Å; T165-L169 WeakPolarHBondContact O-CG 3.42Å; T165-L169 PolarHBondContact O-N 3Å
166A87.6Confident87.4Confident54 Ų5441 Ų4145%0.44624%0.235SC..Hα-helixtrans-64.2-43.9178.600000111.6A162 H168 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.39Å; A162-A166 PolarHBondContact O-N 3.42Å; A166-H168 PolarHBondContact O-N 3.26Å; A166-L169 PolarHBondContact O-N 3.37Å; A166-L170 VanDerWaalsContact O-CB 3.28Å; A166-L170 WeakPolarHBondContact O-CB 3.02Å; A166-L170 PolarHBondContact O-N 2.78Å
167G88.3Confident87.9Confident6 Ų642.6 Ų42.66%0.06225%0.249CC..Hα-helixtrans-58.6-47.9177.300000112.4N163 L170 M171N163-G167 PolarHBondContact O-N 2.83Å; G167-L170 PolarHBondContact O-N 3.12Å; G167-M171 WeakPolarHBondContact O-CG 3.27Å; G167-M171 PolarHBondContact O-N 3.03Å
168H87.9Confident88.2Confident32 Ų3243.5 Ų43.515%0.14825%0.254CS..Hα-helixtrans-63.1-42.9176.2-90.8-91.1000113.5F9 G86 I164 T165 A166 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.19Å; F9-H168 HydrophobicContact CZ-CB 3.77Å; G86-H168 PolarHBondContact O-CE1 3.12Å; G86-H168 PolarHBondContact O-NE2 3.13Å; I164-H168 WeakPolarHBondContact O-CB 3.44Å; I164-H168 PolarHBondContact O-CD2 3.33Å; I164-H168 VanDerWaalsContact O-CD2 3.31Å; I164-H168 PolarHBondContact O-N 3.44Å; I164-H168 VanDerWaalsContact O-N 3.1Å; T165-H168 PolarHBondContact O-N 2.6Å; A166-H168 PolarHBondContact O-N 3.26Å; H168-L170 VanDerWaalsContact C-N 3.33Å; H168-M171 PolarHBondContact O-N 2.85Å; H168-H172 WeakPolarHBondContact O-CB 3.27Å; H168-H172 PolarHBondContact O-N 3.11Å
169L88.6Confident88.3Confident41 Ų4146.7 Ų46.722%0.21527%0.268CS..Hα-helixtrans-62.6-42.3175.7-76.1171000111.3F6 F9 T165 A166 H172 L173F6-L169 HydrophobicContact CD1-CD2 4.36Å; F6-L169 HydrophobicContact CE1-CD1 4.05Å; F6-L169 HydrophobicContact CE1-CD2 4.04Å; F6-L169 HydrophobicContact CZ-CD2 4.48Å; F9-L169 HydrophobicContact CE2-CD1 4.44Å; F9-L169 HydrophobicContact CE2-CD2 3.74Å; F9-L169 HydrophobicContact CE2-CG 3.78Å; F9-L169 HydrophobicContact CZ-CD2 4.47Å; F9-L169 HydrophobicContact CZ-CG 4.06Å; T165-L169 WeakPolarHBondContact O-CB 3.05Å; T165-L169 WeakPolarHBondContact O-CG 3.42Å; T165-L169 PolarHBondContact O-N 3Å; A166-L169 PolarHBondContact O-N 3.37Å; L169-H172 PolarHBondContact O-N 3.31Å; L169-L173 WeakPolarHBondContact O-CB 3.34Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.34Å; L169-L173 PolarHBondContact O-N 2.92Å
170L90.5Very high88.4Confident79 Ų7944.3 Ų44.341%0.41427%0.27SS..Hα-helixtrans-66.6-43-179.8-154.5156.6000111A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.28Å; A166-L170 WeakPolarHBondContact O-CB 3.02Å; A166-L170 PolarHBondContact O-N 2.78Å; G167-L170 PolarHBondContact O-N 3.12Å; H168-L170 VanDerWaalsContact C-N 3.33Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.22Å; L170-L173 PolarHBondContact O-N 3.36Å; L170-I174 HydrophobicContact CD2-CD1 3.43Å; L170-I174 VanDerWaalsContact CD2-CD1 3.43Å; L170-I174 HydrophobicContact CD2-CG1 4.01Å; L170-I174 WeakPolarHBondContact O-CG1 3.26Å; L170-I174 PolarHBondContact O-N 2.95Å; L170-L199 HydrophobicContact CB-CD2 4.33Å; L170-L199 HydrophobicContact CD2-CD1 3.72Å; L170-L199 HydrophobicContact CD2-CD2 3.25Å; L170-L199 HydrophobicContact CD2-CG 4.1Å; L170-L199 HydrophobicContact CG-CD2 4.36Å
171M90.6Very high88.7Confident30 Ų3047.3 Ų47.315%0.14829%0.285CS..Hα-helixtrans-58.6-43.4172.3-75.5-172.2-69.500111.9L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 4.02Å; G167-M171 WeakPolarHBondContact O-CG 3.27Å; G167-M171 PolarHBondContact O-N 3.03Å; H168-M171 PolarHBondContact O-N 2.85Å; M171-G175 PolarHBondContact O-N 3.32Å; M171-L199 HydrophobicContact CB-CD2 4.29Å; M171-L199 HydrophobicContact CG-CD2 3.53Å; M171-L199 HydrophobicContact CG-CG 4.16Å; M171-T200 HydrophobicContact SD-CG2 3.91Å; M171-E203 HydrophobicContact CE-CG 4.22Å
172H89.3Confident88.9Confident86 Ų8649.9 Ų49.940%0.39830%0.303SS..Hα-helixtrans-68-41.3178.7-168.8-57.8000112.3L5 H168 L169 L170 G175 S176L5-H172 VanDerWaalsContact CD2-CE1 3.4Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.43Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.3Å; H168-H172 WeakPolarHBondContact O-CB 3.27Å; H168-H172 PolarHBondContact O-N 3.11Å; L169-H172 PolarHBondContact O-N 3.31Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.22Å; H172-G175 PolarHBondContact O-N 3.37Å; H172-S176 WeakPolarHBondContact O-CB 3.25Å; H172-S176 PolarHBondContact O-N 3.04Å; H172-S176 PolarHBondContact O-OG 3.45Å
173L90.4Very high89Confident92 Ų9253.5 Ų53.548%0.48232%0.321SS..Hα-helixtrans-63.8-48.4178.4-74171.8000111L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 4.11Å; L5-L173 HydrophobicContact CD2-CD2 4.4Å; L169-L173 WeakPolarHBondContact O-CB 3.34Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.34Å; L169-L173 PolarHBondContact O-N 2.92Å; L170-L173 PolarHBondContact O-N 3.36Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.32Å; L173-S176 PolarHBondContact O-N 2.87Å; L173-S176 PolarHBondContact O-OG 3.5Å; L173-A177 PolarHBondContact O-N 2.99Å
174I91.6Very high89Confident32 Ų3255.6 Ų55.616%0.16433%0.331CS..Hα-helixtrans-63.9-40.7176.4-64.9-173.2000110.6L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.43Å; L170-I174 VanDerWaalsContact CD2-CD1 3.43Å; L170-I174 HydrophobicContact CD2-CG1 4.01Å; L170-I174 WeakPolarHBondContact O-CG1 3.26Å; L170-I174 PolarHBondContact O-N 2.95Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.02Å; I174-A177 WeakPolarHBondContact O-CB 3.41Å; I174-A177 PolarHBondContact O-N 3.03Å; I174-A177 VanDerWaalsContact O-N 3.14Å; I174-T178 HydrophobicContact CG2-CG2 4.39Å; I174-T178 WeakPolarHBondContact O-CG2 3.32Å; I174-T178 PolarHBondContact O-N 3.03Å; I174-T178 PolarHBondContact O-OG1 2.97Å; I174-I192 HydrophobicContact CG2-CG2 3.79Å; I174-I195 HydrophobicContact CD1-CG2 4.03Å; I174-L196 HydrophobicContact CB-CD1 4.21Å; I174-L196 HydrophobicContact CG2-CB 3.92Å; I174-L196 HydrophobicContact CG2-CD1 3.99Å; I174-L199 HydrophobicContact CD1-CD2 4.18Å
175G90.3Very high89.2Confident24 Ų2459.8 Ų59.825%0.24735%0.353CS..Hα-helixtrans-61.7-36.6175.100000113.6M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 3.32Å; H172-G175 PolarHBondContact O-N 3.37Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.32Å; G175-T178 WeakPolarHBondContact CA-OG1 3.27Å; G175-T178 PolarHBondContact O-OG1 3.43Å; G175-L179 PolarHBondContact O-N 3.12Å
176S89.2Confident89.2Confident58 Ų5865 Ų6541%0.40638%0.38SS..Hα-helixtrans-70.6-35.1173.671.40000112.2H172 L173 I174 L179 A180H172-S176 WeakPolarHBondContact O-CB 3.25Å; H172-S176 PolarHBondContact O-N 3.04Å; H172-S176 PolarHBondContact O-OG 3.45Å; L173-S176 PolarHBondContact O-N 2.87Å; L173-S176 PolarHBondContact O-OG 3.5Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.02Å; S176-L179 PolarHBondContact O-N 2.98Å; S176-A180 WeakPolarHBondContact O-CB 3.33Å; S176-A180 PolarHBondContact O-N 3.33Å
177A89Confident89.3Confident39 Ų3966.9 Ų66.932%0.32239%0.387SS..Hα-helixtrans-69.2-41.3175.900000112L173 I174 L179 A180 M181L173-A177 PolarHBondContact O-N 2.99Å; I174-A177 WeakPolarHBondContact O-CB 3.41Å; I174-A177 PolarHBondContact O-N 3.03Å; I174-A177 VanDerWaalsContact O-N 3.14Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 2.88Å; A177-A180 PolarHBondContact O-N 3.44Å; A177-M181 WeakPolarHBondContact O-CB 3.5Å; A177-M181 WeakPolarHBondContact O-CG 3.25Å; A177-M181 PolarHBondContact O-N 2.91Å
178T90.9Very high89.2Confident19 Ų1968.4 Ų68.412%0.11740%0.397CS..Hα-helixtrans-60.8-42.8174.355.90000110.9I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.39Å; I174-T178 WeakPolarHBondContact O-CG2 3.32Å; I174-T178 PolarHBondContact O-N 3.03Å; I174-T178 PolarHBondContact O-OG1 2.97Å; G175-T178 WeakPolarHBondContact CA-OG1 3.27Å; G175-T178 PolarHBondContact O-OG1 3.43Å; T178-M181 PolarHBondContact O-N 3.33Å; T178-S182 WeakPolarHBondContact O-CB 3.47Å; T178-S182 PolarHBondContact O-N 3.31Å; T178-I192 HydrophobicContact CG2-CB 3.87Å; T178-I192 HydrophobicContact CG2-CG2 3.36Å
179L90Very high89.4Confident129 Ų12968 Ų6868%0.67540%0.397SS*.Hα-helixtrans-65.4-42.6178.9-165.8131.8000111.8G175 S176 A177 S182G175-L179 PolarHBondContact O-N 3.12Å; S176-L179 PolarHBondContact O-N 2.98Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 2.88Å; L179-S182 PolarHBondContact O-N 3.35Å; L179-S182 PolarHBondContact O-OG 3.28Å
180A89.1Confident89.6Confident48 Ų4871.8 Ų71.840%0.39742%0.416SS..Hα-helixtrans-63.5-45.3174.900000112.1S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.33Å; S176-A180 PolarHBondContact O-N 3.33Å; A177-A180 PolarHBondContact O-N 3.44Å; A180-S182 VanDerWaalsContact C-N 3.28Å; A180-S182 PolarHBondContact O-N 2.98Å; A180-T183 PolarHBondContact O-N 3.47Å; A180-T183 PolarHBondContact O-OG1 3.45Å
181M88.1Confident89.7Confident63 Ų6373 Ų7331%0.3142%0.422SS..Hα-helixtrans-69.5-24.9-178.6-67.6-65.5120.400113.3A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.5Å; A177-M181 WeakPolarHBondContact O-CG 3.25Å; A177-M181 PolarHBondContact O-N 2.91Å; T178-M181 PolarHBondContact O-N 3.33Å; M181-T183 PolarHBondContact O-N 2.85Å; M181-T183 VanDerWaalsContact O-N 3.15Å; M181-I184 HydrophobicContact CE-CD1 3.69Å; M181-I184 PolarHBondContact O-N 3.43Å; M181-I184 HydrophobicContact SD-CD1 4.08Å; M181-N185 PolarHBondContact O-N 3.49Å; M181-N185 VanDerWaalsContact O-N 3.09Å; M181-T189 PolarHBondContact O-OG1 3.31Å; M181-T189 VanDerWaalsContact O-OG1 3.09Å; M181-I192 HydrophobicContact CB-CD1 4.19Å; M181-I192 HydrophobicContact CG-CD1 3.66Å
182S88.1Confident89.8Confident67 Ų6773.5 Ų73.547%0.46943%0.425SS..Hα-helixtrans-57.2-29.217776.30000113T178 L179 A180 T189T178-S182 WeakPolarHBondContact O-CB 3.47Å; T178-S182 PolarHBondContact O-N 3.31Å; L179-S182 PolarHBondContact O-N 3.35Å; L179-S182 PolarHBondContact O-OG 3.28Å; A180-S182 VanDerWaalsContact C-N 3.28Å; A180-S182 PolarHBondContact O-N 2.98Å; S182-T189 VanDerWaalsContact CA-OG1 3.31Å; S182-T189 WeakPolarHBondContact CA-OG1 3.4Å; S182-T189 PolarHBondContact N-OG1 2.87Å
183T88.2Confident90Very high119 Ų11974.3 Ų74.373%0.7343%0.428SS*.THydrogen-bonded Turntrans-81.6-19.4178.466.50000113.7A180 M181A180-T183 PolarHBondContact O-N 3.47Å; A180-T183 PolarHBondContact O-OG1 3.45Å; M181-T183 PolarHBondContact O-N 2.85Å; M181-T183 VanDerWaalsContact O-N 3.15Å
184I88.1Confident90.2Very high105 Ų10573.6 Ų73.654%0.53843%0.427SS..THydrogen-bonded Turntrans-97.3-60.3-173.1-57.8171.1000110.2M181M181-I184 HydrophobicContact CE-CD1 3.69Å; M181-I184 PolarHBondContact O-N 3.43Å; M181-I184 HydrophobicContact SD-CD1 4.08Å
185N88.6Confident90.3Very high95 Ų9576.1 Ų76.151%0.50844%0.44SS..  trans-148.2128-173.3-85.3-21.1000111.5M181 S188 T189M181-N185 PolarHBondContact O-N 3.49Å; M181-N185 VanDerWaalsContact O-N 3.09Å; N185-S188 WeakPolarHBondContact CB-OG 3.4Å; N185-S188 PolarHBondContact O-OG 3.36Å; N185-S188 VanDerWaalsContact O-OG 3.04Å; N185-T189 PolarHBondContact O-N 3.35Å; N185-T189 PolarHBondContact O-OG1 2.87Å
186L88.3Confident90.5Very high148 Ų14876.5 Ų76.578%0.77544%0.436SS*.Hα-helixtrans-63.4-45.2177-160.484000114.4S188 T189 L190L186-S188 PolarHBondContact O-N 3.32Å; L186-T189 WeakPolarHBondContact O-CB 3.33Å; L186-T189 PolarHBondContact O-N 3.39Å; L186-L190 PolarHBondContact O-N 2.98Å; L186-L190 VanDerWaalsContact O-N 3.14Å
187P89.3Confident90.6Very high93 Ų9377.4 Ų77.460%0.60444%0.436SS*.Hα-helixtrans-69.2-36.6-174.725.3-33.3000113.1T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.33Å; P187-L190 PolarHBondContact O-N 2.98Å; P187-I191 WeakPolarHBondContact O-CG1 3.49Å; P187-I191 PolarHBondContact O-N 2.86Å
188S87.8Confident90.9Very high38 Ų3881.3 Ų81.327%0.26645%0.45SS..Hα-helixtrans-67.2-35.9174.552.70000111.8N185 L186 L190 I191 I192N185-S188 WeakPolarHBondContact CB-OG 3.4Å; N185-S188 PolarHBondContact O-OG 3.36Å; N185-S188 VanDerWaalsContact O-OG 3.04Å; L186-S188 PolarHBondContact O-N 3.32Å; S188-L190 VanDerWaalsContact C-N 3.33Å; S188-L190 PolarHBondContact O-N 3.23Å; S188-I191 PolarHBondContact O-N 2.94Å; S188-I192 WeakPolarHBondContact O-CG1 3.48Å; S188-I192 PolarHBondContact O-N 2.92Å; S188-I192 VanDerWaalsContact O-N 3.12Å
189T92.1Very high91.1Very high24 Ų2481.5 Ų81.515%0.14745%0.45CS..Hα-helixtrans-61.4-42.1175.1-58.70000111.5M181 S182 N185 L186 P187 I191 I192 F193M181-T189 PolarHBondContact O-OG1 3.31Å; M181-T189 VanDerWaalsContact O-OG1 3.09Å; S182-T189 VanDerWaalsContact CA-OG1 3.31Å; S182-T189 WeakPolarHBondContact CA-OG1 3.4Å; S182-T189 PolarHBondContact N-OG1 2.87Å; N185-T189 PolarHBondContact O-N 3.35Å; N185-T189 PolarHBondContact O-OG1 2.87Å; L186-T189 WeakPolarHBondContact O-CB 3.33Å; L186-T189 PolarHBondContact O-N 3.39Å; P187-T189 VanDerWaalsContact C-N 3.33Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.32Å; T189-I192 PolarHBondContact O-N 3.4Å; T189-F193 VanDerWaalsContact O-CB 3.29Å; T189-F193 WeakPolarHBondContact O-CB 3.39Å; T189-F193 PolarHBondContact O-N 3.03Å
190L91.8Very high91.1Very high119 Ų11977.8 Ų77.862%0.62343%0.434SS*.Hα-helixtrans-59.6-42.8177.3-162.197.9000111.5L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 2.98Å; L186-L190 VanDerWaalsContact O-N 3.14Å; P187-L190 PolarHBondContact O-N 2.98Å; S188-L190 VanDerWaalsContact C-N 3.33Å; S188-L190 PolarHBondContact O-N 3.23Å; L190-F193 PolarHBondContact O-N 2.95Å; L190-T194 WeakPolarHBondContact O-CG2 3.12Å; L190-T194 PolarHBondContact O-N 3.4Å
191I93.1Very high91.3Very high104 Ų10480.4 Ų80.453%0.53344%0.44SS..Hα-helixtrans-64-44.6179-63.5164.5000111.3P187 S188 T189 F193 T194 I195P187-I191 WeakPolarHBondContact O-CG1 3.49Å; P187-I191 PolarHBondContact O-N 2.86Å; S188-I191 PolarHBondContact O-N 2.94Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.32Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.4Å; I191-T194 PolarHBondContact O-N 3.45Å; I191-T194 PolarHBondContact O-OG1 3.02Å; I191-I195 HydrophobicContact CG2-CD1 4.34Å; I191-I195 WeakPolarHBondContact O-CG1 3.29Å; I191-I195 PolarHBondContact O-N 3.14Å
192I93.3Very high91.5Very high41 Ų4182.1 Ų82.121%0.2145%0.45CS..Hα-helixtrans-70.2-33.5179.7-57.3167.4000110.2I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.79Å; T178-I192 HydrophobicContact CG2-CB 3.87Å; T178-I192 HydrophobicContact CG2-CG2 3.36Å; M181-I192 HydrophobicContact CB-CD1 4.19Å; M181-I192 HydrophobicContact CG-CD1 3.66Å; S188-I192 WeakPolarHBondContact O-CG1 3.48Å; S188-I192 PolarHBondContact O-N 2.92Å; S188-I192 VanDerWaalsContact O-N 3.12Å; T189-I192 PolarHBondContact O-N 3.4Å; I192-I195 WeakPolarHBondContact O-CB 3.31Å; I192-I195 PolarHBondContact O-N 3.46Å; I192-L196 PolarHBondContact O-N 3.14Å
193F92.8Very high91.6Very high104 Ų10479.6 Ų79.646%0.45643%0.43SS..Hα-helixtrans-66.4-38.9175.4-172.7-106000112.7T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.29Å; T189-F193 WeakPolarHBondContact O-CB 3.39Å; T189-F193 PolarHBondContact O-N 3.03Å; L190-F193 PolarHBondContact O-N 2.95Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.4Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 2.98Å; F193-L196 HydrophobicContact CD2-CD2 4.4Å; F193-L196 WeakPolarHBondContact O-CB 3.5Å; F193-L196 PolarHBondContact O-N 2.98Å; F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.53Å; F193-I197 HydrophobicContact CE1-CG1 4.25Å; F193-I197 HydrophobicContact CZ-CD1 4.18Å; F193-I197 HydrophobicContact CZ-CG1 4.49Å; F193-I197 PolarHBondContact O-N 3.24Å
194T93.8Very high91.8Very high76 Ų7678.1 Ų78.147%0.46642%0.417SS..Hα-helixtrans-64.8-37.3173.457.60000111.8L190 I191 L196 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.12Å; L190-T194 PolarHBondContact O-N 3.4Å; I191-T194 PolarHBondContact O-N 3.45Å; I191-T194 PolarHBondContact O-OG1 3.02Å; T194-L196 VanDerWaalsContact C-N 3.34Å; T194-I197 PolarHBondContact O-N 3.41Å; T194-L198 PolarHBondContact O-N 2.82Å
195I94.5Very high92Very high86 Ų8675.3 Ų75.344%0.44141%0.41SS..Hα-helixtrans-62.1-42.1173-65.1166.5000110.9I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.03Å; I191-I195 HydrophobicContact CG2-CD1 4.34Å; I191-I195 WeakPolarHBondContact O-CG1 3.29Å; I191-I195 PolarHBondContact O-N 3.14Å; I192-I195 WeakPolarHBondContact O-CB 3.31Å; I192-I195 PolarHBondContact O-N 3.46Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 2.98Å; I195-I197 PolarHBondContact O-N 2.87Å; I195-L198 PolarHBondContact O-N 2.74Å; I195-L199 WeakPolarHBondContact O-CB 3.27Å; I195-L199 PolarHBondContact O-N 3.45Å
196L93.7Very high92.1Very high32 Ų3272.6 Ų72.617%0.16840%0.396CS..Hα-helixtrans-59.6-45.5175.9-177.366.8000111.5I174 I192 F193 T194 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.21Å; I174-L196 HydrophobicContact CG2-CB 3.92Å; I174-L196 HydrophobicContact CG2-CD1 3.99Å; I192-L196 PolarHBondContact O-N 3.14Å; F193-L196 HydrophobicContact CD2-CD2 4.4Å; F193-L196 WeakPolarHBondContact O-CB 3.5Å; F193-L196 PolarHBondContact O-N 2.98Å; T194-L196 VanDerWaalsContact C-N 3.34Å; L196-L198 PolarHBondContact O-N 2.99Å; L196-L199 WeakPolarHBondContact O-CB 3.28Å; L196-L199 PolarHBondContact O-N 3.46Å; L196-T200 WeakPolarHBondContact O-CG2 3.38Å; L196-T200 PolarHBondContact O-N 3.47Å
197I93.1Very high92.2Very high77 Ų7765.8 Ų65.840%0.39536%0.362SS..Hα-helixtrans-60.1-47.4176.3-67.1166.3000110.4F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.53Å; F193-I197 HydrophobicContact CE1-CG1 4.25Å; F193-I197 HydrophobicContact CZ-CD1 4.18Å; F193-I197 HydrophobicContact CZ-CG1 4.49Å; F193-I197 PolarHBondContact O-N 3.24Å; T194-I197 PolarHBondContact O-N 3.41Å; I195-I197 PolarHBondContact O-N 2.87Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.19Å; I197-T200 PolarHBondContact O-N 3.49Å; I197-T200 VanDerWaalsContact O-N 3.14Å; I197-T200 PolarHBondContact O-OG1 3.14Å; I197-I201 HydrophobicContact CG2-CD1 4.13Å; I197-I201 WeakPolarHBondContact O-CG1 3.35Å; I197-I201 PolarHBondContact O-N 2.99Å; I197-I201 VanDerWaalsContact O-N 3.12Å
198L95.1Very high92.2Very high120 Ų12066.7 Ų66.763%0.62836%0.36SS*.Hα-helixtrans-59.7-41179.3-175.764.1000111.8T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 2.82Å; I195-L198 PolarHBondContact O-N 2.74Å; L196-L198 PolarHBondContact O-N 2.99Å; L198-I201 PolarHBondContact O-N 3.16Å; L198-L202 PolarHBondContact O-N 3.04Å
199L93.5Very high92.3Very high23 Ų2369.3 Ų69.312%0.1237%0.371CS..Hα-helixtrans-62.4-42.7175.7-178.172.7000112L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.33Å; L170-L199 HydrophobicContact CD2-CD1 3.72Å; L170-L199 HydrophobicContact CD2-CD2 3.25Å; L170-L199 HydrophobicContact CD2-CG 4.1Å; L170-L199 HydrophobicContact CG-CD2 4.36Å; M171-L199 HydrophobicContact CB-CD2 4.29Å; M171-L199 HydrophobicContact CG-CD2 3.53Å; M171-L199 HydrophobicContact CG-CG 4.16Å; I174-L199 HydrophobicContact CD1-CD2 4.18Å; I195-L199 WeakPolarHBondContact O-CB 3.27Å; I195-L199 PolarHBondContact O-N 3.45Å; L196-L199 WeakPolarHBondContact O-CB 3.28Å; L196-L199 PolarHBondContact O-N 3.46Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.19Å; L199-I201 VanDerWaalsContact C-N 3.29Å; L199-I201 PolarHBondContact O-N 3.11Å; L199-L202 HydrophobicContact CD1-CD2 4.49Å; L199-L202 WeakPolarHBondContact O-CB 3.48Å; L199-L202 PolarHBondContact O-N 3.39Å; L199-E203 PolarHBondContact O-N 2.88Å
200T91.5Very high92.2Very high52 Ų5268.7 Ų68.732%0.31937%0.366SS..Hα-helixtrans-62.3-38.1177.960.80000112M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.91Å; L196-T200 WeakPolarHBondContact O-CG2 3.38Å; L196-T200 PolarHBondContact O-N 3.47Å; I197-T200 PolarHBondContact O-N 3.49Å; I197-T200 VanDerWaalsContact O-N 3.14Å; I197-T200 PolarHBondContact O-OG1 3.14Å; T200-E203 PolarHBondContact O-N 2.83Å; T200-I204 VanDerWaalsContact O-CG1 3.27Å; T200-I204 WeakPolarHBondContact O-CG1 3.44Å; T200-I204 PolarHBondContact O-N 3.35Å
201I93Very high92.1Very high102 Ų10263 Ų6352%0.52334%0.337SS..Hα-helixtrans-64.9-43.3175.5-64.7168000110.4I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.13Å; I197-I201 WeakPolarHBondContact O-CG1 3.35Å; I197-I201 PolarHBondContact O-N 2.99Å; I197-I201 VanDerWaalsContact O-N 3.12Å; L198-I201 PolarHBondContact O-N 3.16Å; L199-I201 VanDerWaalsContact C-N 3.29Å; L199-I201 PolarHBondContact O-N 3.11Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.44Å; I201-I204 PolarHBondContact O-N 2.98Å; I201-A205 PolarHBondContact O-N 3.18Å; I201-A205 VanDerWaalsContact O-N 3.16Å
202L92.2Very high92Very high100 Ų10063.1 Ų63.152%0.52433%0.331SS..Hα-helixtrans-59.4-45.8175.7179.367.1000111L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 3.04Å; L199-L202 HydrophobicContact CD1-CD2 4.49Å; L199-L202 WeakPolarHBondContact O-CB 3.48Å; L199-L202 PolarHBondContact O-N 3.39Å; L202-I204 VanDerWaalsContact C-N 3.35Å; L202-I204 PolarHBondContact O-N 2.88Å; L202-A205 WeakPolarHBondContact O-CB 3.26Å; L202-A205 PolarHBondContact O-N 3.02Å; L202-A205 VanDerWaalsContact O-N 3.11Å; L202-V206 HydrophobicContact CD1-CG2 4.33Å; L202-V206 HydrophobicContact CG-CG2 4.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.31Å; L202-V206 PolarHBondContact O-N 3.36Å
203E91Very high91.8Very high13 Ų1363.2 Ų63.26%0.06133%0.333CS..Hα-helixtrans-67.2-36.5-176.9-161.864.9-16000112.1L87 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.39Å; L87-E203 HydrophobicContact CD2-CB 4.18Å; L87-E203 HydrophobicContact CD2-CG 3.38Å; M171-E203 HydrophobicContact CE-CG 4.22Å; L199-E203 PolarHBondContact O-N 2.88Å; T200-E203 PolarHBondContact O-N 2.83Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.44Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.45Å; E203-V206 PolarHBondContact O-N 3.49Å; E203-A207 VanDerWaalsContact O-CB 3.29Å; E203-A207 WeakPolarHBondContact O-CB 3.43Å; E203-A207 PolarHBondContact O-N 2.98Å
204I91.2Very high91.6Very high89 Ų8958.3 Ų58.346%0.45631%0.312SS..Hα-helixtrans-59.5-43.3171.4-67.7164000110.7L87 T200 I201 L202 L208L87-I204 HydrophobicContact CD1-CB 4.26Å; L87-I204 HydrophobicContact CD1-CG1 3.68Å; T200-I204 VanDerWaalsContact O-CG1 3.27Å; T200-I204 WeakPolarHBondContact O-CG1 3.44Å; T200-I204 PolarHBondContact O-N 3.35Å; I201-I204 PolarHBondContact O-N 2.98Å; L202-I204 VanDerWaalsContact C-N 3.35Å; L202-I204 PolarHBondContact O-N 2.88Å; I204-L208 PolarHBondContact O-N 2.78Å
205A91.9Very high91.4Very high46 Ų4654.7 Ų54.738%0.3829%0.29SS..Hα-helixtrans-65.7-45.6177.200000111.7I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 3.18Å; I201-A205 VanDerWaalsContact O-N 3.16Å; L202-A205 WeakPolarHBondContact O-CB 3.26Å; L202-A205 PolarHBondContact O-N 3.02Å; L202-A205 VanDerWaalsContact O-N 3.11Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.45Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 2.68Å; A205-L208 PolarHBondContact O-N 3.4Å; A205-I209 WeakPolarHBondContact O-CB 3.49Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.48Å; A205-I209 PolarHBondContact O-N 3.38Å
206V91.7Very high91.1Very high38 Ų3853 Ų5323%0.2328%0.281CS..Hα-helixtrans-61.3-42.3178.1172.90000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.08Å; L202-V206 HydrophobicContact CD1-CG2 4.33Å; L202-V206 HydrophobicContact CG-CG2 4.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.31Å; L202-V206 PolarHBondContact O-N 3.36Å; E203-V206 PolarHBondContact O-N 3.49Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 2.91Å; V206-I209 PolarHBondContact O-N 2.65Å; V206-Q210 WeakPolarHBondContact O-CB 3.49Å; V206-Q210 PolarHBondContact O-N 3.46Å
207A89.5Confident90.7Very high5 Ų553.2 Ų53.24%0.04128%0.283CS..Hα-helixtrans-57.5-42.1178.300000112.8N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.9Å; N83-A207 PolarHBondContact ND2-O 3.06Å; L87-A207 HydrophobicContact CD1-CB 4.06Å; E203-A207 VanDerWaalsContact O-CB 3.29Å; E203-A207 WeakPolarHBondContact O-CB 3.43Å; E203-A207 PolarHBondContact O-N 2.98Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 2.68Å; A207-A211 PolarHBondContact O-N 3.45Å
208L89.3Confident90.4Very high111 Ų11150 Ų5058%0.58127%0.266SS*.Hα-helixtrans-76.1-43.7179.3-172.1136.7000112.2I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 2.78Å; A205-L208 PolarHBondContact O-N 3.4Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 2.91Å; L208-Q210 VanDerWaalsContact C-N 3.28Å; L208-Q210 PolarHBondContact O-N 3.38Å; L208-A211 PolarHBondContact O-N 2.96Å; L208-Y212 PolarHBondContact O-N 3.33Å
209I91Very high90Very high94 Ų9444.5 Ų44.548%0.48224%0.238SC..Hα-helixtrans-61.1-40.5177.1-69166.7000110.4A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.49Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.48Å; A205-I209 PolarHBondContact O-N 3.38Å; V206-I209 PolarHBondContact O-N 2.65Å; I209-A211 PolarHBondContact O-N 3.05Å; I209-Y212 WeakPolarHBondContact O-CB 3.43Å; I209-Y212 PolarHBondContact O-N 3.48Å; I209-Y212 VanDerWaalsContact O-N 3.17Å; I209-V213 HydrophobicContact CG2-CG2 4.02Å; I209-V213 WeakPolarHBondContact O-CG2 3.27Å; I209-V213 PolarHBondContact O-N 3.48Å
210Q89.1Confident89.6Confident10 Ų1047 Ų475%0.04725%0.251CS..Hα-helixtrans-66.8-37.9-177.5-173.964.34.100112.4R159 L160 V206 L208 Y212 V213 F214R159-Q210 VanDerWaalsContact C-NE2 3.29Å; R159-Q210 VanDerWaalsContact CG-NE2 3.34Å; L160-Q210 HydrophobicContact CB-CG 4.27Å; L160-Q210 HydrophobicContact CD1-CB 4.37Å; L160-Q210 HydrophobicContact CD1-CG 3.39Å; L160-Q210 HydrophobicContact CG-CG 4.42Å; V206-Q210 WeakPolarHBondContact O-CB 3.49Å; V206-Q210 PolarHBondContact O-N 3.46Å; L208-Q210 VanDerWaalsContact C-N 3.28Å; L208-Q210 PolarHBondContact O-N 3.38Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 3.29Å; Q210-V213 PolarHBondContact O-N 3.37Å; Q210-F214 VanDerWaalsContact O-CB 3.31Å; Q210-F214 WeakPolarHBondContact O-CB 3.43Å; Q210-F214 PolarHBondContact O-N 3.12Å
211A90Very high89.1Confident1 Ų145.4 Ų45.41%0.00824%0.239CC..Hα-helixtrans-61.7-41.7172.300000111.6I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.46Å; I79-A211 HydrophobicContact CB-CB 4.04Å; I79-A211 HydrophobicContact CG2-CB 3.78Å; A80-A211 HydrophobicContact CB-CB 3.89Å; A207-A211 PolarHBondContact O-N 3.45Å; L208-A211 PolarHBondContact O-N 2.96Å; I209-A211 PolarHBondContact O-N 3.05Å; A211-T215 VanDerWaalsContact O-CG2 3.24Å; A211-T215 WeakPolarHBondContact O-CG2 3.42Å; A211-T215 PolarHBondContact O-N 3.38Å; A211-T215 PolarHBondContact O-OG1 3.35Å
212Y90Very high88.5Confident105 Ų10540.7 Ų40.741%0.41222%0.215SC..Hα-helixtrans-65.3-49176.3176.9-100.1000112.5I76 L208 I209 Q210 F214 T215 L216I76-Y212 HydrophobicContact CD1-CD2 4.16Å; L208-Y212 PolarHBondContact O-N 3.33Å; I209-Y212 WeakPolarHBondContact O-CB 3.43Å; I209-Y212 PolarHBondContact O-N 3.48Å; I209-Y212 VanDerWaalsContact O-N 3.17Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 3.29Å; Y212-F214 VanDerWaalsContact C-N 3.31Å; Y212-F214 PolarHBondContact O-N 3.33Å; Y212-T215 PolarHBondContact O-N 2.67Å; Y212-T215 PolarHBondContact O-OG1 2.96Å; Y212-L216 HydrophobicContact CE1-CD1 3.66Å; Y212-L216 HydrophobicContact CE2-CD1 4.44Å; Y212-L216 VanDerWaalsContact O-CB 3.27Å; Y212-L216 WeakPolarHBondContact O-CB 3.47Å; Y212-L216 PolarHBondContact O-N 3.3Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.48Å
213V90.1Very high88Confident43 Ų4339.8 Ų39.826%0.26121%0.208SC..Hα-helixtrans-63-38.8179.6172.40000111.2I209 Q210 L217I209-V213 HydrophobicContact CG2-CG2 4.02Å; I209-V213 WeakPolarHBondContact O-CG2 3.27Å; I209-V213 PolarHBondContact O-N 3.48Å; Q210-V213 PolarHBondContact O-N 3.37Å; V213-L217 HydrophobicContact CG1-CD1 3.88Å; V213-L217 WeakPolarHBondContact O-CB 3.4Å; V213-L217 WeakPolarHBondContact O-CG 3.39Å; V213-L217 PolarHBondContact O-N 2.91Å
214F87.9Confident87.5Confident1 Ų142.7 Ų42.70%0.00422%0.224CC..Hα-helixtrans-57.5-52.3176.2-173.6-75000111.1L75 I79 A105 L108 L156 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.21Å; L75-F214 HydrophobicContact CD2-CD1 3.44Å; L75-F214 VanDerWaalsContact CD2-CD1 3.44Å; L75-F214 HydrophobicContact CD2-CE1 3.55Å; L75-F214 HydrophobicContact CG-CE1 4.47Å; I79-F214 HydrophobicContact CD1-CB 4.26Å; I79-F214 HydrophobicContact CD1-CD1 3.53Å; I79-F214 HydrophobicContact CD1-CD2 4.18Å; I79-F214 HydrophobicContact CD1-CE1 3.85Å; I79-F214 HydrophobicContact CD1-CE2 4.43Å; I79-F214 HydrophobicContact CD1-CG 3.73Å; I79-F214 HydrophobicContact CD1-CZ 4.28Å; A105-F214 HydrophobicContact CB-CE2 4.34Å; A105-F214 HydrophobicContact CB-CZ 4.14Å; L108-F214 HydrophobicContact CD1-CE1 4.23Å; L156-F214 HydrophobicContact CD1-CD2 4.32Å; L156-F214 HydrophobicContact CD2-CD1 4.04Å; L156-F214 HydrophobicContact CD2-CD2 3.29Å; L156-F214 HydrophobicContact CD2-CE1 3.92Å; L156-F214 HydrophobicContact CD2-CE2 3.17Å; L156-F214 HydrophobicContact CD2-CG 3.75Å; L156-F214 HydrophobicContact CD2-CZ 3.51Å; L156-F214 HydrophobicContact CG-CD2 3.48Å; L156-F214 VanDerWaalsContact CG-CD2 3.48Å; L156-F214 HydrophobicContact CG-CE2 3.71Å; L156-F214 HydrophobicContact CG-CG 4.13Å; L156-F214 HydrophobicContact CG-CZ 4.5Å; Q210-F214 VanDerWaalsContact O-CB 3.31Å; Q210-F214 WeakPolarHBondContact O-CB 3.43Å; Q210-F214 PolarHBondContact O-N 3.12Å; Y212-F214 VanDerWaalsContact C-N 3.31Å; Y212-F214 PolarHBondContact O-N 3.33Å; F214-L217 PolarHBondContact O-N 3.27Å; F214-V218 HydrophobicContact CD1-CG2 4.25Å; F214-V218 HydrophobicContact CE1-CG2 4Å; F214-V218 WeakPolarHBondContact O-CG2 3.49Å; F214-V218 PolarHBondContact O-N 2.97Å
215T89.1Confident86.6Confident0 Ų040 Ų400%021%0.21CC..Hα-helixtrans-72.1-36.1-17554.30000112.3M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.45Å; L75-T215 HydrophobicContact CB-CG2 4.46Å; L75-T215 HydrophobicContact CD2-CG2 3.19Å; L75-T215 HydrophobicContact CG-CG2 4.4Å; I76-T215 VanDerWaalsContact CA-CG2 3.47Å; I76-T215 HydrophobicContact CB-CG2 3.49Å; I76-T215 VanDerWaalsContact CB-CG2 3.49Å; I76-T215 WeakPolarHBondContact CD1-OG1 3.41Å; I76-T215 HydrophobicContact CG1-CG2 3.93Å; A211-T215 VanDerWaalsContact O-CG2 3.24Å; A211-T215 WeakPolarHBondContact O-CG2 3.42Å; A211-T215 PolarHBondContact O-N 3.38Å; A211-T215 PolarHBondContact O-OG1 3.35Å; Y212-T215 PolarHBondContact O-N 2.67Å; Y212-T215 PolarHBondContact O-OG1 2.96Å; T215-V218 PolarHBondContact O-N 3.15Å; T215-S219 WeakPolarHBondContact O-CB 3.18Å; T215-S219 PolarHBondContact O-N 3.09Å
216L88.4Confident85.6Confident51 Ų5139.1 Ų39.127%0.26720%0.2SC..Hα-helixtrans-62.3-44.8174.8-175.5148.8000111.4Y212 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.66Å; Y212-L216 HydrophobicContact CE2-CD1 4.44Å; Y212-L216 VanDerWaalsContact O-CB 3.27Å; Y212-L216 WeakPolarHBondContact O-CB 3.47Å; Y212-L216 PolarHBondContact O-N 3.3Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.48Å; L216-S219 WeakPolarHBondContact CA-OG 3.47Å; L216-S219 CarbonylContact O-C 3.58Å; L216-S219 WeakPolarHBondContact O-CB 3.36Å; L216-S219 PolarHBondContact O-N 3.09Å; L216-S219 VanDerWaalsContact O-N 3.15Å; L216-S219 PolarHBondContact O-OG 2.8Å; L216-L220 PolarHBondContact O-N 2.89Å
217L86.6Confident85.2Confident37 Ų3739.2 Ų39.219%0.19420%0.199CC..Hα-helixtrans-63.7-42.7177.9-76.5166.7000111.8L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 3.9Å; L156-L217 HydrophobicContact CD1-CD1 3.33Å; L156-L217 HydrophobicContact CD1-CG 4.24Å; V213-L217 HydrophobicContact CG1-CD1 3.88Å; V213-L217 WeakPolarHBondContact O-CB 3.4Å; V213-L217 WeakPolarHBondContact O-CG 3.39Å; V213-L217 PolarHBondContact O-N 2.91Å; F214-L217 PolarHBondContact O-N 3.27Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.2Å; L217-L220 PolarHBondContact O-N 2.99Å; L217-Y221 HydrophobicContact CB-CE2 4.2Å; L217-Y221 WeakPolarHBondContact O-CD2 3.43Å; L217-Y221 WeakPolarHBondContact O-CE2 3.49Å; L217-Y221 PolarHBondContact O-N 3.32Å
218V85.9Confident85Confident8 Ų840.9 Ų40.95%0.04821%0.207CC..Hα-helixtrans-59.3-41172.7177.40000111.3L72 L108 L156 F214 T215 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.21Å; L72-V218 HydrophobicContact CD2-CG1 3.87Å; L108-V218 HydrophobicContact CB-CG1 4.33Å; L156-V218 HydrophobicContact CD2-CG2 4.35Å; F214-V218 HydrophobicContact CD1-CG2 4.25Å; F214-V218 HydrophobicContact CE1-CG2 4Å; F214-V218 WeakPolarHBondContact O-CG2 3.49Å; F214-V218 PolarHBondContact O-N 2.97Å; T215-V218 PolarHBondContact O-N 3.15Å; V218-Y221 PolarHBondContact O-N 3.4Å; V218-L222 PolarHBondContact O-N 3.32Å
219S86.8Confident84.8Confident5 Ų537.1 Ų37.14%0.03519%0.186CC..Hα-helixtrans-66.5-37.7177.285.40000112.3H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact NE2-O 3.2Å; T215-S219 WeakPolarHBondContact O-CB 3.18Å; T215-S219 PolarHBondContact O-N 3.09Å; L216-S219 WeakPolarHBondContact CA-OG 3.47Å; L216-S219 CarbonylContact O-C 3.58Å; L216-S219 WeakPolarHBondContact O-CB 3.36Å; L216-S219 PolarHBondContact O-N 3.09Å; L216-S219 VanDerWaalsContact O-N 3.15Å; L216-S219 PolarHBondContact O-OG 2.8Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.2Å; S219-L222 WeakPolarHBondContact O-CB 3.36Å; S219-L222 PolarHBondContact O-N 3.04Å; S219-H223 PolarHBondContact O-N 2.8Å
220L84.7Confident84.4Confident76 Ų7633.7 Ų33.740%0.39817%0.169SC..Hα-helixtrans-65.8-42.3176.5-171.3148.5000111L216 L217 L222 H223 D224L216-L220 PolarHBondContact O-N 2.89Å; L217-L220 PolarHBondContact O-N 2.99Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.47Å; L220-H223 WeakPolarHBondContact O-CB 3.31Å; L220-H223 PolarHBondContact O-N 3.41Å; L220-H223 VanDerWaalsContact O-N 3.09Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.44Å; L220-D224 PolarHBondContact O-N 3.28Å
221Y80.8Confident84.1Confident19 Ų1935.2 Ų35.28%0.07518%0.177CC..Hα-helixtrans-61-38.6172.6-61.7-49.7000112.5Q152 L217 V218 H223 N225Q152-Y221 WeakPolarHBondContact CB-OH 3.42Å; Q152-Y221 HydrophobicContact CG-CE1 4.34Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.48Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.31Å; Q152-Y221 PolarHBondContact NE2-OH 3.47Å; Q152-Y221 PolarHBondContact OE1-OH 2.88Å; L217-Y221 HydrophobicContact CB-CE2 4.2Å; L217-Y221 WeakPolarHBondContact O-CD2 3.43Å; L217-Y221 WeakPolarHBondContact O-CE2 3.49Å; L217-Y221 PolarHBondContact O-N 3.32Å; V218-Y221 PolarHBondContact O-N 3.4Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; Y221-N225 WeakPolarHBondContact O-CB 3.29Å; Y221-N225 PolarHBondContact O-N 3.23Å; Y221-N225 VanDerWaalsContact O-N 3.13Å; Y221-N225 PolarHBondContact O-ND2 2.95Å
222L82Confident83.7Confident2 Ų237.5 Ų37.51%0.0119%0.188CC..Hα-helixtrans-63.6-42.9175.4-166.182.1000110.5W68 A112 M115 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD1 4.49Å; W68-L222 HydrophobicContact CB-CD2 3.57Å; W68-L222 HydrophobicContact CD2-CD1 3.5Å; W68-L222 VanDerWaalsContact CD2-CD1 3.5Å; W68-L222 HydrophobicContact CD2-CD2 4.23Å; W68-L222 HydrophobicContact CE3-CD1 3.68Å; W68-L222 HydrophobicContact CG-CD1 3.81Å; W68-L222 HydrophobicContact CG-CD2 3.73Å; W68-L222 HydrophobicContact CG-CG 4.45Å; W68-L222 HydrophobicContact CZ2-CD1 4.36Å; W68-L222 HydrophobicContact CZ3-CD1 4.19Å; A112-L222 HydrophobicContact CB-CD1 4.4Å; M115-L222 HydrophobicContact SD-CD1 4.36Å; V218-L222 PolarHBondContact O-N 3.32Å; S219-L222 WeakPolarHBondContact O-CB 3.36Å; S219-L222 PolarHBondContact O-N 3.04Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.47Å; L222-N225 PolarHBondContact O-N 3.33Å; L222-T226 HydrophobicContact CG-CG2 4.32Å; L222-T226 WeakPolarHBondContact O-CB 3.32Å; L222-T226 WeakPolarHBondContact O-CG2 3.42Å; L222-T226 PolarHBondContact O-N 3.47Å; L222-T226 VanDerWaalsContact O-N 3.13Å; L222-T226 PolarHBondContact O-OG1 3.12Å
223H81.8Confident83.3Confident82 Ų8232.6 Ų32.638%0.3817%0.172SC..Hα-helixtrans-59.3-51.3176.9-173.885.3000111.7M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 3.33Å; M60-H223 PolarHBondContact O-ND1 2.92Å; S219-H223 PolarHBondContact O-N 2.8Å; L220-H223 WeakPolarHBondContact O-CB 3.31Å; L220-H223 PolarHBondContact O-N 3.41Å; L220-H223 VanDerWaalsContact O-N 3.09Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; H223-N225 PolarHBondContact O-N 3.36Å; H223-T226 PolarHBondContact O-N 3.37Å; H223-T226 VanDerWaalsContact O-N 3.11Å; H223-T226 PolarHBondContact O-OG1 3.27Å
224D78.9Confident82.8Confident74 Ų7431.8 Ų31.840%0.39617%0.165SC..Hα-helixtrans-60.9-31.1-179.3-65.1-15.9000112.5L220L220-D224 WeakPolarHBondContact CD2-OD2 3.44Å; L220-D224 PolarHBondContact O-N 3.28Å
225N74Confident82.3Confident31 Ų3134.4 Ų34.417%0.16618%0.178CC..THydrogen-bonded Turntrans-90.7-2.1180-74.5-69.5000114.5G116 Y221 L222 H223G116-N225 VanDerWaalsContact CA-O 3.24Å; G116-N225 WeakPolarHBondContact CA-O 3.23Å; Y221-N225 WeakPolarHBondContact O-CB 3.29Å; Y221-N225 PolarHBondContact O-N 3.23Å; Y221-N225 VanDerWaalsContact O-N 3.13Å; Y221-N225 PolarHBondContact O-ND2 2.95Å; L222-N225 PolarHBondContact O-N 3.33Å; H223-N225 PolarHBondContact O-N 3.36Å
226T69.1Low81.7Confident28 Ų2837.5 Ų37.517%0.17220%0.195CC..  trans-1090-178.455.80000114.8M115 K120 L222 H223M115-T226 HydrophobicContact CE-CG2 4.36Å; K120-T226 WeakPolarHBondContact CE-O 3.5Å; K120-T226 PolarHBondContact NZ-O 3.48Å; K120-T226 PolarHBondContact NZ-OXT 3.14Å; L222-T226 HydrophobicContact CG-CG2 4.32Å; L222-T226 WeakPolarHBondContact O-CB 3.32Å; L222-T226 WeakPolarHBondContact O-CG2 3.42Å; L222-T226 PolarHBondContact O-N 3.47Å; L222-T226 VanDerWaalsContact O-N 3.13Å; L222-T226 PolarHBondContact O-OG1 3.12Å; H223-T226 PolarHBondContact O-N 3.37Å; H223-T226 VanDerWaalsContact O-N 3.11Å; H223-T226 PolarHBondContact O-OG1 3.27Å

Retrieved 226 of 226 residues in 129.9 ms (Link to these results)

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