A0A059RMA1_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A059RMA1, 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
1M54.6Low73.4Confident203 Ų20399.1 Ų99.1100%153%0.534SS*.  0-39.20-77.6175.1113.700112.8E3 N4M1-E3 PolarHBondContact O-N 3.4Å; M1-N4 PolarHBondContact O-N 3.28Å
2N52.5Low74.3Confident140 Ų14094.1 Ų94.175%0.74951%0.51SS*.Hα-helixtrans-58.6-39.1-178.2-8918.9000115.5
3E60.3Low75.2Confident166 Ų16694.4 Ų94.478%0.77652%0.517SS*.Hα-helixtrans-77.9-20.1-178.3-61.8-149.6156.500114M1 L5 F6 A7M1-E3 PolarHBondContact O-N 3.4Å; E3-L5 VanDerWaalsContact C-N 3.28Å; E3-L5 PolarHBondContact O-N 3.39Å; E3-F6 PolarHBondContact O-N 3.31Å; E3-A7 PolarHBondContact O-N 3.11Å; E3-A7 VanDerWaalsContact O-N 3.09Å
4N74.2Confident76Confident116 Ų11696.4 Ų96.462%0.6253%0.525SS*.Hα-helixtrans-69.4-29-177.3-65.88000112M1 F6M1-N4 PolarHBondContact O-N 3.28Å; N4-F6 VanDerWaalsContact C-N 3.35Å
5L75.4Confident76.5Confident41 Ų41100.7 Ų100.722%0.21555%0.546CS..Hα-helixtrans-68.6-35.6177.8-66.8177.9000112.1E3 H172 L173E3-L5 VanDerWaalsContact C-N 3.28Å; E3-L5 PolarHBondContact O-N 3.39Å; L5-H172 VanDerWaalsContact CD2-CE1 3.4Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.25Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.27Å; L5-L173 HydrophobicContact CD1-CD2 4.09Å; L5-L173 HydrophobicContact CD2-CD2 4.36Å
6F81.7Confident76.9Confident118 Ų118101.8 Ų101.852%0.51856%0.563SS.*Hα-helixtrans-93.6-9.8-177.1-66.6-75.9000113.7E3 N4 S8 F9 L169E3-F6 PolarHBondContact O-N 3.31Å; N4-F6 VanDerWaalsContact C-N 3.35Å; F6-S8 PolarHBondContact O-N 3.35Å; F6-S8 VanDerWaalsContact O-N 3.15Å; F6-F9 HydrophobicContact CD1-CD2 4Å; F6-F9 HydrophobicContact CD1-CE2 4.38Å; F6-F9 PolarHBondContact O-N 3.39Å; F6-L169 HydrophobicContact CD1-CD2 4.42Å; F6-L169 HydrophobicContact CE1-CD1 4.12Å; F6-L169 HydrophobicContact CE1-CD2 4.07Å; F6-L169 HydrophobicContact CZ-CD2 4.48Å
7A79.8Confident77.3Confident53 Ų53102.9 Ų102.944%0.43857%0.568SS.*G310 helixtrans-55.3-32.9-179.900000113.1E3 F9 I10E3-A7 PolarHBondContact O-N 3.11Å; E3-A7 VanDerWaalsContact O-N 3.09Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 3.05Å; A7-I10 PolarHBondContact O-N 2.85Å
8S79.2Confident77.7Confident58 Ų58101.4 Ų101.441%0.40656%0.564SS.*G310 helixtrans-68.5-20.7176.756.80000114.1F6 F92F6-S8 PolarHBondContact O-N 3.35Å; F6-S8 VanDerWaalsContact O-N 3.15Å; S8-F92 WeakPolarHBondContact O-CD2 3.43Å
9F82.4Confident78.2Confident24 Ų2496.9 Ų96.911%0.10554%0.541CS..G310 helixtrans-93.1-10.7178.2-58.5-69.9000112.9F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 HydrophobicContact CD1-CD2 4Å; F6-F9 HydrophobicContact CD1-CE2 4.38Å; F6-F9 PolarHBondContact O-N 3.39Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 3.05Å; F9-A11 PolarHBondContact O-N 2.94Å; F9-T96 HydrophobicContact CD1-CG2 3.84Å; F9-T96 HydrophobicContact CE1-CG2 3.72Å; F9-Q97 PolarHBondContact O-NE2 3.44Å; F9-T165 HydrophobicContact CD1-CG2 4.39Å; F9-T165 HydrophobicContact CE1-CG2 4.09Å; F9-H168 HydrophobicContact CE1-CB 4.11Å; F9-H168 HydrophobicContact CZ-CB 3.82Å; F9-L169 HydrophobicContact CE2-CD1 4.43Å; F9-L169 HydrophobicContact CE2-CD2 3.69Å; F9-L169 HydrophobicContact CE2-CG 3.76Å; F9-L169 HydrophobicContact CZ-CD2 4.33Å; F9-L169 HydrophobicContact CZ-CG 3.93Å
10I84.6Confident78.5Confident118 Ų11893.1 Ų93.161%0.60552%0.522SS*.SBendtrans-68.8129.5178-59.4175.7000108.4A7 P12A7-I10 PolarHBondContact O-N 2.85Å; I10-P12 WeakPolarHBondContact O-CD 2.92Å
11A82.9Confident78.9Confident53 Ų5392.5 Ų92.544%0.43852%0.521SS..PPolyproline II helixtrans-58.6120.7-179.900000110.3F9 T13F9-A11 PolarHBondContact O-N 2.94Å; A11-T13 PolarHBondContact O-N 3.35Å
12P83.6Confident80.4Confident39 Ų3989.1 Ų89.125%0.25351%0.506SS..PPolyproline II helixtrans-70.7128-174.126.7-33.3000110.1I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 2.92Å; P12-A19 HydrophobicContact CB-CB 4.25Å; P12-A19 HydrophobicContact CG-CB 4.37Å; P12-A19 WeakPolarHBondContact O-CB 3.39Å; P12-A19 PolarHBondContact O-N 3.48Å; P12-I23 HydrophobicContact CG-CD1 3.57Å; P12-F92 HydrophobicContact CG-CB 4.39Å; P12-F92 HydrophobicContact CG-CD1 4.12Å; P12-F92 HydrophobicContact CG-CD2 4.46Å; P12-F92 HydrophobicContact CG-CG 4.07Å
13T86.4Confident82.1Confident98 Ų9884.8 Ų84.860%0.60148%0.482SS*.EExtended strand (participates in β ladder)trans-117.9124.1170.3540000108.7A11 L17A11-T13 PolarHBondContact O-N 3.35Å; T13-L17 CarbonylContact C-O 3.54Å; T13-L17 VanDerWaalsContact CA-O 3.24Å; T13-L17 WeakPolarHBondContact CA-O 3.38Å
14I86.4Confident83.4Confident123 Ų12379.3 Ų79.363%0.63146%0.458SS*.EExtended strand (participates in β ladder)trans-106.7122.2174.3-65171.3000106.1S16 L17 A19I14-S16 PolarHBondContact O-N 2.95Å; I14-L17 PolarHBondContact N-O 3.26Å; I14-L17 WeakPolarHBondContact O-CB 3.06Å; I14-L17 PolarHBondContact O-N 3.13Å; I14-A19 HydrophobicContact CB-CB 4.43Å; I14-A19 HydrophobicContact CD1-CB 3.88Å; I14-A19 HydrophobicContact CG1-CB 3.91Å
15L83.3Confident84Confident161 Ų16179.4 Ų79.484%0.84346%0.458SS*.THydrogen-bonded Turntrans54.139.7177-145.3108.7000112.8L17L15-L17 PolarHBondContact O-N 2.98Å
16S83.4Confident84.7Confident117 Ų11781.9 Ų81.982%0.81847%0.467SS*.THydrogen-bonded Turntrans66.10.8-173.272.20000117I14I14-S16 PolarHBondContact O-N 2.95Å
17L83.8Confident85Confident121 Ų12176.4 Ų76.463%0.63444%0.443SS*.EExtended strand (participates in β ladder)trans-89.4141.5171.8-67.4168.3000111.1T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.54Å; T13-L17 VanDerWaalsContact CA-O 3.24Å; T13-L17 WeakPolarHBondContact CA-O 3.38Å; I14-L17 PolarHBondContact N-O 3.26Å; I14-L17 WeakPolarHBondContact O-CB 3.06Å; I14-L17 PolarHBondContact O-N 3.13Å; L15-L17 PolarHBondContact O-N 2.98Å; L17-A19 PolarHBondContact O-N 3.43Å
18P84.9Confident85.2Confident77 Ų7777.2 Ų77.250%0.544%0.444SS..EExtended strand (participates in β ladder)trans-71.799.2178.829.3-33.6000110.8A20 V21P18-A20 PolarHBondContact O-N 3.28Å; P18-V21 HydrophobicContact CB-CG2 4.41Å; P18-V21 HydrophobicContact CG-CG2 4.19Å; P18-V21 PolarHBondContact O-N 3Å
19A85.7Confident85.7Confident16 Ų1681 Ų8113%0.13246%0.459CS..THydrogen-bonded Turntrans-67.8-17.1176.900000112.4P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.25Å; P12-A19 HydrophobicContact CG-CB 4.37Å; P12-A19 WeakPolarHBondContact O-CB 3.39Å; P12-A19 PolarHBondContact O-N 3.48Å; I14-A19 HydrophobicContact CB-CB 4.43Å; I14-A19 HydrophobicContact CD1-CB 3.88Å; I14-A19 HydrophobicContact CG1-CB 3.91Å; L17-A19 PolarHBondContact O-N 3.43Å; A19-V21 PolarHBondContact O-N 3.43Å; A19-L22 PolarHBondContact O-N 3.45Å; A19-L22 VanDerWaalsContact O-N 3.09Å; A19-I23 PolarHBondContact O-N 3.5Å
20A85.3Confident85.9Confident20 Ų2083.6 Ų83.617%0.16547%0.474CS..Hα-helixtrans-53-34.1172.200000113.1P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 3.28Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3.18Å; A20-I23 PolarHBondContact O-N 2.96Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.48Å; A20-I24 PolarHBondContact O-N 3.26Å; A20-F92 HydrophobicContact CB-CE1 4.42Å
21V85.4Confident86.1Confident81 Ų8180.6 Ų80.649%0.49146%0.458SS..Hα-helixtrans-63.6-42.1178.8179.80000111.1P18 A19 I23 I24 L25P18-V21 HydrophobicContact CB-CG2 4.41Å; P18-V21 HydrophobicContact CG-CG2 4.19Å; P18-V21 PolarHBondContact O-N 3Å; A19-V21 PolarHBondContact O-N 3.43Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.1Å; V21-I24 PolarHBondContact O-N 3.04Å; V21-L25 HydrophobicContact CG1-CD1 4.12Å; V21-L25 WeakPolarHBondContact O-CG 3.47Å; V21-L25 PolarHBondContact O-N 3.43Å; V21-L25 VanDerWaalsContact O-N 3.07Å
22L86.3Confident86.3Confident131 Ų13180.9 Ų80.969%0.68646%0.455SS*.Hα-helixtrans-66.8-37.4179.2-168.1140.7000111.3A19 A20 L25 F26A19-L22 PolarHBondContact O-N 3.45Å; A19-L22 VanDerWaalsContact O-N 3.09Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3.18Å; L22-L25 PolarHBondContact O-N 2.78Å; L22-F26 PolarHBondContact O-N 3.38Å
23I88.1Confident86.5Confident50 Ų5085.4 Ų85.426%0.25648%0.483SS..Hα-helixtrans-66.8-41.3176.5-62.1162000110.9P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.57Å; A19-I23 PolarHBondContact O-N 3.5Å; A20-I23 PolarHBondContact O-N 2.96Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.1Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.19Å; I23-F26 WeakPolarHBondContact O-CB 3.3Å; I23-F26 PolarHBondContact O-N 2.95Å; I23-P27 VanDerWaalsContact O-CD 3.31Å; I23-P27 WeakPolarHBondContact O-CD 3.35Å; I23-F92 HydrophobicContact CD1-CB 4.09Å; I23-F92 HydrophobicContact CD1-CD1 3.92Å; I23-F92 HydrophobicContact CD1-CG 4.37Å; I23-F92 HydrophobicContact CG2-CD1 4.4Å
24I88.3Confident86.5Confident51 Ų5182.5 Ų82.526%0.26247%0.466SS..Hα-helixtrans-65.6-32.2176.9-68.7164000111.8A20 V21 F26 P27 F78 P94 M100A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.48Å; A20-I24 PolarHBondContact O-N 3.26Å; V21-I24 PolarHBondContact O-N 3.04Å; I24-F26 VanDerWaalsContact C-N 3.33Å; I24-P27 WeakPolarHBondContact O-CD 3.12Å; I24-F78 HydrophobicContact CG2-CZ 4.31Å; I24-P94 HydrophobicContact CD1-CB 4.26Å; I24-P94 HydrophobicContact CG1-CB 3.69Å; I24-P94 HydrophobicContact CG1-CG 4.05Å; I24-M100 HydrophobicContact CD1-SD 4.44Å; I24-M100 HydrophobicContact CG2-CE 4.36Å
25L87.7Confident86.5Confident117 Ų11786.7 Ų86.761%0.61348%0.48SS*.Hα-helixtrans-80.9-10.6178-71.9171.6000113.9V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.12Å; V21-L25 WeakPolarHBondContact O-CG 3.47Å; V21-L25 PolarHBondContact O-N 3.43Å; V21-L25 VanDerWaalsContact O-N 3.07Å; L22-L25 PolarHBondContact O-N 2.78Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.19Å; L25-P28 WeakPolarHBondContact O-CD 3.43Å
26F88.8Confident86.7Confident93 Ų9387.7 Ų87.741%0.40847%0.474SS..Hα-helixtrans-69.6-44.8-177.2-169.7-101.7000115L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 3.38Å; I23-F26 WeakPolarHBondContact O-CB 3.3Å; I23-F26 PolarHBondContact O-N 2.95Å; I24-F26 VanDerWaalsContact C-N 3.33Å; F26-L29 VanDerWaalsContact O-CB 3.32Å; F26-L29 WeakPolarHBondContact O-CB 3.23Å; F26-L29 PolarHBondContact O-N 2.84Å; F26-L30 HydrophobicContact CD1-CD1 4.38Å; F26-L30 HydrophobicContact CE1-CD1 4.1Å; F26-L30 HydrophobicContact CE1-CD2 4.07Å; F26-L30 HydrophobicContact CE1-CG 4.2Å; F26-L30 HydrophobicContact CZ-CD2 4.26Å; F26-L85 HydrophobicContact CD1-CD1 4.09Å; F26-L85 HydrophobicContact CD1-CD2 3.84Å; F26-L85 HydrophobicContact CE1-CD2 3.7Å
27P88.8Confident86.5Confident3 Ų390.4 Ų90.42%0.01948%0.478CS..Hα-helixtrans-56.8-42.4-178.7-12.217000115.1I23 I24 L29 L30 T81 T82 L85I23-P27 VanDerWaalsContact O-CD 3.31Å; I23-P27 WeakPolarHBondContact O-CD 3.35Å; I24-P27 WeakPolarHBondContact O-CD 3.12Å; P27-L29 PolarHBondContact O-N 3.44Å; P27-L30 WeakPolarHBondContact O-CB 3.43Å; P27-L30 PolarHBondContact O-N 3.49Å; P27-L30 VanDerWaalsContact O-N 3.07Å; P27-T81 WeakPolarHBondContact CB-OG1 3.31Å; P27-T82 HydrophobicContact CB-CG2 4.26Å; P27-T82 HydrophobicContact CG-CG2 3.47Å; P27-T82 VanDerWaalsContact CG-CG2 3.47Å; P27-L85 HydrophobicContact CB-CD1 3.85Å; P27-L85 HydrophobicContact CG-CD1 3.82Å
28P84.9Confident86.6Confident70 Ų7092 Ų9246%0.45549%0.486SS..Hα-helixtrans-55.7-33.2174.1-27.233.3000114.1L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.43Å; P28-L30 PolarHBondContact O-N 3.25Å; P28-I31 PolarHBondContact O-N 3.45Å
29L88.3Confident86.8Confident137 Ų13789.8 Ų89.872%0.71747%0.47SS*.Hα-helixtrans-68.4-24.9179.6-172.564.5000112.5F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.32Å; F26-L29 WeakPolarHBondContact O-CB 3.23Å; F26-L29 PolarHBondContact O-N 2.84Å; P27-L29 PolarHBondContact O-N 3.44Å; L29-I31 PolarHBondContact O-N 3.39Å
30L87.6Confident87Confident80 Ų8094.4 Ų94.442%0.41949%0.492SS..THydrogen-bonded Turntrans-75.1-6.4178.3-63176.4000113.7F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CD1-CD1 4.38Å; F26-L30 HydrophobicContact CE1-CD1 4.1Å; F26-L30 HydrophobicContact CE1-CD2 4.07Å; F26-L30 HydrophobicContact CE1-CG 4.2Å; F26-L30 HydrophobicContact CZ-CD2 4.26Å; P27-L30 WeakPolarHBondContact O-CB 3.43Å; P27-L30 PolarHBondContact O-N 3.49Å; P27-L30 VanDerWaalsContact O-N 3.07Å; P28-L30 PolarHBondContact O-N 3.25Å; L30-P32 VanDerWaalsContact C-CD 3.43Å; L30-P32 WeakPolarHBondContact O-CD 3.47Å; L30-Q46 PolarHBondContact O-NE2 3.27Å; L30-L85 HydrophobicContact CD1-CD1 3.66Å; L30-L85 HydrophobicContact CD1-CD2 3.95Å; L30-L85 HydrophobicContact CD1-CG 4.04Å
31I88.2Confident87.2Confident55 Ų55103.5 Ų103.528%0.28252%0.522SS..SBendtrans-106.783.4-178.3-54.3163.6000108.2P28 L29 I77P28-I31 PolarHBondContact O-N 3.45Å; L29-I31 PolarHBondContact O-N 3.39Å; I31-I77 HydrophobicContact CD1-CG2 3.39Å; I31-I77 HydrophobicContact CG1-CG2 4.46Å
32P87Confident87.4Confident58 Ų58103.8 Ų103.838%0.37752%0.52SS..  trans-66.7139.2177.727.2-33.7000110.5L30 L42 I43L30-P32 VanDerWaalsContact C-CD 3.43Å; L30-P32 WeakPolarHBondContact O-CD 3.47Å; P32-L42 HydrophobicContact CG-CD2 3.52Å; P32-I43 HydrophobicContact CB-CD1 4.39Å; P32-I43 HydrophobicContact CB-CG1 4.44Å; P32-I43 HydrophobicContact CG-CD1 4.43Å; P32-I43 HydrophobicContact CG-CG1 3.98Å
33T87.2Confident87.7Confident135 Ų13598.4 Ų98.483%0.82849%0.492SS*.  trans-106.6143.3170.159.20000109.4
34S87.4Confident87.8Confident37 Ų3799 Ų9926%0.25950%0.499SS..  trans-128.7147.6173.7570000110.6N39 I43S34-N39 WeakPolarHBondContact CB-OD1 3.29Å; S34-N39 PolarHBondContact OG-ND2 3.13Å; S34-N39 PolarHBondContact OG-OD1 3.3Å; S34-I43 WeakPolarHBondContact OG-CD1 3.41Å
35K86.3Confident88Confident211 Ų211100.6 Ų100.692%0.91751%0.511SS*.  trans-88-11.8178.7-62.1-179.6-178.8178.10112.9
36Y86.8Confident88.2Confident182 Ų18297.1 Ų97.171%0.71449%0.491SS*.SBendtrans-82.1153.5-174.8-59.8-71.5000111.9N39Y36-N39 VanDerWaalsContact O-CG 3.31Å; Y36-N39 PolarHBondContact O-ND2 3.08Å; Y36-N39 PolarHBondContact O-OD1 3.01Å
37L79.4Confident88.2Confident174 Ų17497.3 Ų97.391%0.91149%0.493SS*.SBendtrans-72.1-40.5176.5-173.173000111.4
38I86.1Confident88.4Confident155 Ų155105.3 Ų105.380%0.79552%0.523SS*.SBendtrans-101115.6175.3-58.7169.8000107.2
39N89.1Confident88.7Confident29 Ų29106.6 Ų106.616%0.15553%0.526CS..  trans-112.4169.3-172.3-68.9-32.1000112.5S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.29Å; S34-N39 PolarHBondContact OG-ND2 3.13Å; S34-N39 PolarHBondContact OG-OD1 3.3Å; Y36-N39 VanDerWaalsContact O-CG 3.31Å; Y36-N39 PolarHBondContact O-ND2 3.08Å; Y36-N39 PolarHBondContact O-OD1 3.01Å; N39-I43 HydrophobicContact CB-CB 3.93Å; N39-I43 HydrophobicContact CB-CG2 3.83Å; N39-T44 HydrophobicContact CB-CG2 4.16Å; N39-Q47 PolarHBondContact ND2-NE2 3.34Å
40N89.8Confident88.9Confident114 Ų114103 Ų10361%0.6151%0.506SS*.  trans-63.1152.7172.3-165.61.4000110.9L42 I43 T44N40-L42 PolarHBondContact O-N 2.91Å; N40-L42 VanDerWaalsContact O-N 3.12Å; N40-I43 HydrophobicContact CB-CD1 4.49Å; N40-I43 PolarHBondContact O-N 3.2Å; N40-T44 PolarHBondContact O-N 3.14Å
41R89.5Confident89.1Confident211 Ų211106.6 Ų106.680%0.79652%0.519SS*.Hα-helixtrans-52.4-36.8-178.5-64.9-177.4-179.2-179.10.4113T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.24Å; R41-T44 PolarHBondContact O-N 3.33Å; R41-T44 PolarHBondContact O-OG1 2.99Å; R41-T45 WeakPolarHBondContact O-CG2 3.18Å; R41-T45 PolarHBondContact O-N 3.3Å; R41-T45 PolarHBondContact O-OG1 3.01Å
42L90.1Very high89.3Confident86 Ų86107.1 Ų107.145%0.4552%0.522SS..Hα-helixtrans-67-40.7177.9-175.2152.9000111.9P32 N40 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.52Å; N40-L42 PolarHBondContact O-N 2.91Å; N40-L42 VanDerWaalsContact O-N 3.12Å; L42-T45 PolarHBondContact O-OG1 3.44Å; L42-Q46 VanDerWaalsContact CD2-CD 3.44Å; L42-Q46 HydrophobicContact CD2-CG 4.28Å; L42-Q46 WeakPolarHBondContact O-CB 3.41Å; L42-Q46 VanDerWaalsContact O-CG 3.24Å; L42-Q46 WeakPolarHBondContact O-CG 3.44Å; L42-Q46 PolarHBondContact O-N 3.48Å
43I91.8Very high89.4Confident18 Ų18105.5 Ų105.59%0.09251%0.511CS..Hα-helixtrans-71.8-36.6179.2-60.9173.7000110P32 S34 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.39Å; P32-I43 HydrophobicContact CB-CG1 4.44Å; P32-I43 HydrophobicContact CG-CD1 4.43Å; P32-I43 HydrophobicContact CG-CG1 3.98Å; S34-I43 WeakPolarHBondContact OG-CD1 3.41Å; N39-I43 HydrophobicContact CB-CB 3.93Å; N39-I43 HydrophobicContact CB-CG2 3.83Å; N40-I43 HydrophobicContact CB-CD1 4.49Å; N40-I43 PolarHBondContact O-N 3.2Å; I43-Q46 PolarHBondContact O-N 3.12Å; I43-Q47 HydrophobicContact CG2-CG 4.25Å; I43-Q47 WeakPolarHBondContact O-CB 3.41Å; I43-Q47 VanDerWaalsContact O-CG 3.25Å; I43-Q47 WeakPolarHBondContact O-CG 3.26Å; I43-Q47 PolarHBondContact O-N 3.48Å
44T91.7Very high89.5Confident64 Ų64100.8 Ų100.839%0.39348%0.484SS..Hα-helixtrans-67.4-40.3177.360.10000112.1N39 N40 R41 Q47 W48N39-T44 HydrophobicContact CB-CG2 4.16Å; N40-T44 PolarHBondContact O-N 3.14Å; R41-T44 WeakPolarHBondContact CA-OG1 3.24Å; R41-T44 PolarHBondContact O-N 3.33Å; R41-T44 PolarHBondContact O-OG1 2.99Å; T44-Q47 PolarHBondContact O-N 2.98Å; T44-W48 VanDerWaalsContact O-CB 3.31Å; T44-W48 WeakPolarHBondContact O-CB 3.41Å; T44-W48 PolarHBondContact O-N 3.41Å
45T91.3Very high89.6Confident84 Ų84106.3 Ų106.352%0.51550%0.503SS..Hα-helixtrans-66.8-40.1174.356.80000111.7R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.18Å; R41-T45 PolarHBondContact O-N 3.3Å; R41-T45 PolarHBondContact O-OG1 3.01Å; L42-T45 PolarHBondContact O-OG1 3.44Å; T45-W48 PolarHBondContact O-N 2.83Å; T45-L49 WeakPolarHBondContact O-CB 3.48Å; T45-L49 PolarHBondContact O-N 3.44Å
46Q91.3Very high89.7Confident44 Ų44102 Ų10221%0.20649%0.486CS..Hα-helixtrans-60.4-50.2173.6-76.6176.8-18.100111.9L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 3.27Å; L42-Q46 VanDerWaalsContact CD2-CD 3.44Å; L42-Q46 HydrophobicContact CD2-CG 4.28Å; L42-Q46 WeakPolarHBondContact O-CB 3.41Å; L42-Q46 VanDerWaalsContact O-CG 3.24Å; L42-Q46 WeakPolarHBondContact O-CG 3.44Å; L42-Q46 PolarHBondContact O-N 3.48Å; I43-Q46 PolarHBondContact O-N 3.12Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 2.87Å; Q46-L49 PolarHBondContact O-N 3.1Å; Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.39Å; Q46-I50 PolarHBondContact O-N 3.14Å
47Q90.7Very high89.6Confident97 Ų9794.1 Ų94.145%0.45346%0.456SS..Hα-helixtrans-60.9-38.8178.1-74.4175.5-11.300112.1N39 I43 T44 K51N39-Q47 PolarHBondContact ND2-NE2 3.34Å; I43-Q47 HydrophobicContact CG2-CG 4.25Å; I43-Q47 WeakPolarHBondContact O-CB 3.41Å; I43-Q47 VanDerWaalsContact O-CG 3.25Å; I43-Q47 WeakPolarHBondContact O-CG 3.26Å; I43-Q47 PolarHBondContact O-N 3.48Å; T44-Q47 PolarHBondContact O-N 2.98Å; Q47-K51 WeakPolarHBondContact O-CB 3.2Å; Q47-K51 PolarHBondContact O-N 3.48Å
48W92.5Very high89.9Confident171 Ų17187.1 Ų87.165%0.64842%0.419SS*.Hα-helixtrans-63.7-44.3175.5-177.781.9000112T44 T45 Q46 K51 L52T44-W48 VanDerWaalsContact O-CB 3.31Å; T44-W48 WeakPolarHBondContact O-CB 3.41Å; T44-W48 PolarHBondContact O-N 3.41Å; T45-W48 PolarHBondContact O-N 2.83Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 2.87Å; W48-K51 PolarHBondContact O-N 2.98Å; W48-L52 HydrophobicContact CD2-CD1 3.72Å; W48-L52 HydrophobicContact CD2-CG 4.38Å; W48-L52 HydrophobicContact CE3-CD1 3.73Å; W48-L52 HydrophobicContact CH2-CD1 3.4Å; W48-L52 VanDerWaalsContact CH2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CD1 3.39Å; W48-L52 HydrophobicContact CZ2-CG 4.43Å; W48-L52 HydrophobicContact CZ3-CD1 3.57Å; W48-L52 WeakPolarHBondContact O-CG 3.3Å; W48-L52 PolarHBondContact O-N 2.96Å
49L91.2Very high89.9Confident96 Ų9683.8 Ų83.850%0.50341%0.406SS..Hα-helixtrans-65.3-42.5178.4-159.7154.6000111.6T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.48Å; T45-L49 PolarHBondContact O-N 3.44Å; Q46-L49 PolarHBondContact O-N 3.1Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.43Å; L49-L52 PolarHBondContact O-N 3.32Å; L49-T53 HydrophobicContact CD2-CG2 3.93Å; L49-T53 WeakPolarHBondContact O-CG2 3.34Å; L49-T53 PolarHBondContact O-N 3.37Å; L49-T53 PolarHBondContact O-OG1 2.78Å
50I91.9Very high89.4Confident61 Ų6188.5 Ų88.531%0.31343%0.429SS..Hα-helixtrans-61.5-42.5174.5-66.9169.8000111Q46 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.39Å; Q46-I50 PolarHBondContact O-N 3.14Å; I50-T53 WeakPolarHBondContact CA-OG1 3.41Å; I50-T53 PolarHBondContact O-OG1 2.99Å; I50-T53 VanDerWaalsContact O-OG1 3.06Å; I50-S54 VanDerWaalsContact O-CB 3.27Å; I50-S54 WeakPolarHBondContact O-CB 3.27Å; I50-S54 PolarHBondContact O-N 3.05Å; I50-S54 PolarHBondContact O-OG 3.5Å; I50-V73 HydrophobicContact CG2-CG1 3.89Å; I50-I77 HydrophobicContact CD1-CD1 4.03Å; I50-I77 HydrophobicContact CG1-CD1 3.72Å
51K91.6Very high89.1Confident156 Ų15683.4 Ų83.468%0.67840%0.401SS*.Hα-helixtrans-65-40.2178.1-174.8176.8-179.9178.40112.2Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3.2Å; Q47-K51 PolarHBondContact O-N 3.48Å; W48-K51 PolarHBondContact O-N 2.98Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.43Å; K51-S54 WeakPolarHBondContact CA-OG 3.39Å; K51-S54 PolarHBondContact O-OG 3.13Å; K51-S54 VanDerWaalsContact O-OG 3.08Å; K51-K55 VanDerWaalsContact O-CB 3.25Å; K51-K55 WeakPolarHBondContact O-CB 3.38Å; K51-K55 PolarHBondContact O-N 3.25Å
52L92Very high88.8Confident67 Ų6778.5 Ų78.535%0.35139%0.391SS..Hα-helixtrans-67.6-50.5178.4-75.1177.1000112.2W48 L49 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.72Å; W48-L52 HydrophobicContact CD2-CG 4.38Å; W48-L52 HydrophobicContact CE3-CD1 3.73Å; W48-L52 HydrophobicContact CH2-CD1 3.4Å; W48-L52 VanDerWaalsContact CH2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CD1 3.39Å; W48-L52 HydrophobicContact CZ2-CG 4.43Å; W48-L52 HydrophobicContact CZ3-CD1 3.57Å; W48-L52 WeakPolarHBondContact O-CG 3.3Å; W48-L52 PolarHBondContact O-N 2.96Å; L49-L52 PolarHBondContact O-N 3.32Å; L52-K55 PolarHBondContact O-N 2.92Å; L52-Q56 WeakPolarHBondContact O-CG 3.33Å; L52-Q56 PolarHBondContact O-N 3.17Å
53T89.1Confident88.3Confident23 Ų2379.9 Ų79.914%0.14140%0.403CS..Hα-helixtrans-61.2-47.1-179.448.90000111.4L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 3.93Å; L49-T53 WeakPolarHBondContact O-CG2 3.34Å; L49-T53 PolarHBondContact O-N 3.37Å; L49-T53 PolarHBondContact O-OG1 2.78Å; I50-T53 WeakPolarHBondContact CA-OG1 3.41Å; I50-T53 PolarHBondContact O-OG1 2.99Å; I50-T53 VanDerWaalsContact O-OG1 3.06Å; T53-K55 PolarHBondContact O-N 3.27Å; T53-Q56 PolarHBondContact O-N 3.43Å; T53-M57 WeakPolarHBondContact O-CG 3.22Å; T53-M57 PolarHBondContact O-N 3.28Å
54S89.9Confident87.8Confident37 Ų3784.8 Ų84.826%0.25942%0.424SS..Hα-helixtrans-61.2-42.1175.658.50000112.4I50 K51 Q56 M58I50-S54 VanDerWaalsContact O-CB 3.27Å; I50-S54 WeakPolarHBondContact O-CB 3.27Å; I50-S54 PolarHBondContact O-N 3.05Å; I50-S54 PolarHBondContact O-OG 3.5Å; K51-S54 WeakPolarHBondContact CA-OG 3.39Å; K51-S54 PolarHBondContact O-OG 3.13Å; K51-S54 VanDerWaalsContact O-OG 3.08Å; S54-Q56 PolarHBondContact O-N 2.96Å; S54-M58 WeakPolarHBondContact O-CB 3.34Å; S54-M58 PolarHBondContact O-N 3.2Å
55K89.7Confident87.2Confident152 Ų15281.8 Ų81.866%0.66141%0.405SS*.Hα-helixtrans-61.6-45.8176.9-174.3179.8179-175.10111.5K51 L52 T53 T59K51-K55 VanDerWaalsContact O-CB 3.25Å; K51-K55 WeakPolarHBondContact O-CB 3.38Å; K51-K55 PolarHBondContact O-N 3.25Å; L52-K55 PolarHBondContact O-N 2.92Å; T53-K55 PolarHBondContact O-N 3.27Å; K55-T59 WeakPolarHBondContact O-CG2 3.3Å; K55-T59 PolarHBondContact O-N 3.35Å
56Q87.4Confident86.9Confident121 Ų12184.1 Ų84.157%0.56540%0.404SS*.Hα-helixtrans-68.3-43.9-177.9-74.9-179-26.500113L52 T53 S54 M58 T59L52-Q56 WeakPolarHBondContact O-CG 3.33Å; L52-Q56 PolarHBondContact O-N 3.17Å; T53-Q56 PolarHBondContact O-N 3.43Å; S54-Q56 PolarHBondContact O-N 2.96Å; Q56-M58 VanDerWaalsContact C-N 3.3Å; Q56-M58 PolarHBondContact O-N 3.21Å; Q56-T59 PolarHBondContact O-OG1 3.27Å
57M85.5Confident86.7Confident17 Ų1786.9 Ų86.98%0.08442%0.424CS..Hα-helixtrans-68-34.2178.1-70.4-170.6176.800112T53 H61 L72 I76 Y212 T215T53-M57 WeakPolarHBondContact O-CG 3.22Å; T53-M57 PolarHBondContact O-N 3.28Å; M57-H61 PolarHBondContact O-ND1 3.38Å; M57-L72 HydrophobicContact SD-CB 4.32Å; M57-I76 HydrophobicContact CE-CB 4.39Å; M57-I76 HydrophobicContact CE-CD1 3.56Å; M57-Y212 HydrophobicContact CE-CD2 4.43Å; M57-T215 WeakPolarHBondContact CE-OG1 3.4Å
58M86.6Confident86.5Confident26 Ų2684.4 Ų84.413%0.12841%0.411CS..Hα-helixtrans-86.2-8.9-171.6-149.36092.500115.1S54 Q56 M60 H61 R66S54-M58 WeakPolarHBondContact O-CB 3.34Å; S54-M58 PolarHBondContact O-N 3.2Å; Q56-M58 VanDerWaalsContact C-N 3.3Å; Q56-M58 PolarHBondContact O-N 3.21Å; M58-M60 PolarHBondContact O-N 2.9Å; M58-H61 PolarHBondContact O-N 3.31Å; M58-H61 HydrophobicContact SD-CB 3.77Å; M58-R66 HydrophobicContact CE-CB 4.11Å; M58-R66 HydrophobicContact CE-CG 4.44Å; M58-R66 HydrophobicContact CG-CB 4.15Å; M58-R66 HydrophobicContact CG-CG 3.57Å; M58-R66 VanDerWaalsContact SD-CA 3.55Å; M58-R66 HydrophobicContact SD-CB 3.89Å; M58-R66 HydrophobicContact SD-CG 3.64Å
59T85.5Confident86.3Confident85 Ų8578.5 Ų78.552%0.52140%0.396SS..THydrogen-bonded Turntrans-62.7-32.4172.256.30000111.9K55 Q56 H61K55-T59 WeakPolarHBondContact O-CG2 3.3Å; K55-T59 PolarHBondContact O-N 3.35Å; Q56-T59 PolarHBondContact O-OG1 3.27Å; T59-H61 VanDerWaalsContact C-N 3.32Å; T59-H61 PolarHBondContact O-N 3.23Å
60M78.5Confident86.3Confident129 Ų12980.6 Ų80.664%0.63541%0.407SS*.THydrogen-bonded Turntrans-79.6-11.1-177.8-60.6-66.9144.500113.4M58 H223M58-M60 PolarHBondContact O-N 2.9Å; M60-H223 PolarHBondContact O-CE1 3.01Å; M60-H223 PolarHBondContact O-ND1 2.97Å
61H83.8Confident86.3Confident6 Ų681 Ų813%0.02841%0.408CS..  trans-111.3138.6-167.1-70.278.8000114.2M57 M58 T59 R66 S219M57-H61 PolarHBondContact O-ND1 3.38Å; M58-H61 PolarHBondContact O-N 3.31Å; M58-H61 HydrophobicContact SD-CB 3.77Å; T59-H61 VanDerWaalsContact C-N 3.32Å; T59-H61 PolarHBondContact O-N 3.23Å; H61-R66 HydrophobicContact CB-CG 4.45Å; H61-R66 PolarHBondContact O-NE 3.35Å; H61-S219 PolarHBondContact NE2-O 2.98Å
62N81.8Confident86.3Confident109 Ų10973.7 Ų73.758%0.58338%0.376SS*.  trans-71166.5167.8-83.6-18.7000112.2K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.27Å; N62-K64 PolarHBondContact O-N 3.1Å; N62-K64 VanDerWaalsContact O-N 3.11Å; N62-G65 WeakPolarHBondContact O-CA 3.42Å; N62-G65 PolarHBondContact O-N 3.07Å; N62-R66 WeakPolarHBondContact O-CG 3.47Å; N62-R66 PolarHBondContact O-N 3.33Å
63T81.3Confident86.3Confident115 Ų11571.3 Ų71.371%0.70637%0.365SS*.THydrogen-bonded Turntrans-51-39-174.654.10000114.3R66T63-R66 PolarHBondContact O-N 3.36Å
64K80.1Confident86.4Confident121 Ų12173.3 Ų73.353%0.52638%0.379SS..THydrogen-bonded Turntrans-66.1-46.4174.6-70.1-176.5-177.3176.50112.2N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.27Å; N62-K64 PolarHBondContact O-N 3.1Å; N62-K64 VanDerWaalsContact O-N 3.11Å; K64-R66 PolarHBondContact O-N 2.94Å; K64-T67 WeakPolarHBondContact O-CB 3.24Å; K64-T67 PolarHBondContact O-N 3.46Å; K64-T67 VanDerWaalsContact O-N 3.16Å; K64-T67 PolarHBondContact O-OG1 2.63Å
65G79.7Confident86.4Confident0 Ų072.3 Ų72.30%037%0.371CS..G310 helixtrans-61.9-30.1175.300000112.7N62 T67 W68N62-G65 WeakPolarHBondContact O-CA 3.42Å; N62-G65 PolarHBondContact O-N 3.07Å; G65-T67 PolarHBondContact O-N 3.3Å; G65-T67 VanDerWaalsContact O-N 3.16Å; G65-W68 PolarHBondContact O-N 3.44Å; G65-W68 VanDerWaalsContact O-N 3.08Å
66R84.4Confident86.5Confident133 Ų13365.8 Ų65.850%0.50234%0.344SS..G310 helixtrans-63.5-20.8176.1-55.3-159.4175.4166.5-4.1114.6M58 H61 N62 T63 K64 W68 S69M58-R66 HydrophobicContact CE-CB 4.11Å; M58-R66 HydrophobicContact CE-CG 4.44Å; M58-R66 HydrophobicContact CG-CB 4.15Å; M58-R66 HydrophobicContact CG-CG 3.57Å; M58-R66 VanDerWaalsContact SD-CA 3.55Å; M58-R66 HydrophobicContact SD-CB 3.89Å; M58-R66 HydrophobicContact SD-CG 3.64Å; H61-R66 HydrophobicContact CB-CG 4.45Å; H61-R66 PolarHBondContact O-NE 3.35Å; N62-R66 WeakPolarHBondContact O-CG 3.47Å; N62-R66 PolarHBondContact O-N 3.33Å; T63-R66 PolarHBondContact O-N 3.36Å; K64-R66 PolarHBondContact O-N 2.94Å; R66-W68 PolarHBondContact O-N 2.93Å; R66-S69 WeakPolarHBondContact O-CB 3.47Å; R66-S69 PolarHBondContact O-N 3.49Å; R66-S69 VanDerWaalsContact O-N 3.14Å
67T87Confident86.7Confident102 Ų10261.7 Ų61.763%0.62633%0.325SS*.G310 helixtrans-64-23.4175.262.50000112.5K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.24Å; K64-T67 PolarHBondContact O-N 3.46Å; K64-T67 VanDerWaalsContact O-N 3.16Å; K64-T67 PolarHBondContact O-OG1 2.63Å; G65-T67 PolarHBondContact O-N 3.3Å; G65-T67 VanDerWaalsContact O-N 3.16Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 3.19Å
68W87.6Confident87Confident45 Ų4563.1 Ų63.117%0.1733%0.331CS..G310 helixtrans-85.86.5177.7-74.250.1000113.6G65 R66 L70 M71 L72 M115 L222G65-W68 PolarHBondContact O-N 3.44Å; G65-W68 VanDerWaalsContact O-N 3.08Å; R66-W68 PolarHBondContact O-N 2.93Å; W68-L70 VanDerWaalsContact C-N 3.28Å; W68-L70 PolarHBondContact O-N 2.87Å; W68-M71 HydrophobicContact CD2-CE 3.59Å; W68-M71 HydrophobicContact CE3-CE 2.94Å; W68-M71 HydrophobicContact CG-CE 4.46Å; W68-M71 HydrophobicContact CH2-CE 3.61Å; W68-M71 HydrophobicContact CZ2-CE 4.19Å; W68-M71 HydrophobicContact CZ3-CE 2.97Å; W68-M71 PolarHBondContact O-N 3.31Å; W68-M71 VanDerWaalsContact O-N 3.15Å; W68-L72 PolarHBondContact O-N 3.17Å; W68-M115 HydrophobicContact CZ2-SD 4Å; W68-M115 PolarHBondContact NE1-SD 3.39Å; W68-L222 HydrophobicContact CB-CD2 3.54Å; W68-L222 HydrophobicContact CD2-CD1 3.55Å; W68-L222 HydrophobicContact CD2-CD2 4.01Å; W68-L222 HydrophobicContact CD2-CG 4.45Å; W68-L222 HydrophobicContact CE3-CD1 3.63Å; W68-L222 HydrophobicContact CE3-CD2 4.22Å; W68-L222 HydrophobicContact CG-CD1 4Å; W68-L222 HydrophobicContact CG-CD2 3.67Å; W68-L222 HydrophobicContact CH2-CD1 4.41Å; W68-L222 HydrophobicContact CZ2-CD1 4.29Å; W68-L222 HydrophobicContact CZ3-CD1 4.06Å
69S88.1Confident87.2Confident47 Ų4761.9 Ų61.933%0.32933%0.325SS..Hα-helixtrans-52.5-47.8-178.293.60000112.7R66 T67 M71 L72 V73R66-S69 WeakPolarHBondContact O-CB 3.47Å; R66-S69 PolarHBondContact O-N 3.49Å; R66-S69 VanDerWaalsContact O-N 3.14Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 3.19Å; S69-M71 VanDerWaalsContact C-N 3.25Å; S69-M71 PolarHBondContact O-N 3.11Å; S69-L72 PolarHBondContact O-N 3.5Å; S69-V73 WeakPolarHBondContact O-CB 3.34Å; S69-V73 VanDerWaalsContact O-CG2 3.22Å; S69-V73 WeakPolarHBondContact O-CG2 3.01Å; S69-V73 PolarHBondContact O-N 3Å
70L91.3Very high87.5Confident141 Ų14159.2 Ų59.274%0.73831%0.311SS*.Hα-helixtrans-62.7-40.5-174-167.696000110.1W68 S74W68-L70 VanDerWaalsContact C-N 3.28Å; W68-L70 PolarHBondContact O-N 2.87Å; L70-S74 VanDerWaalsContact O-CB 3.31Å; L70-S74 WeakPolarHBondContact O-CB 3.45Å; L70-S74 PolarHBondContact O-N 2.93Å; L70-S74 PolarHBondContact O-OG 3.41Å
71M91.4Very high88.1Confident69 Ų6954.8 Ų54.834%0.3429%0.291SS..Hα-helixtrans-69.9-46.3-180-172158.164.900111.7W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 3.59Å; W68-M71 HydrophobicContact CE3-CE 2.94Å; W68-M71 HydrophobicContact CG-CE 4.46Å; W68-M71 HydrophobicContact CH2-CE 3.61Å; W68-M71 HydrophobicContact CZ2-CE 4.19Å; W68-M71 HydrophobicContact CZ3-CE 2.97Å; W68-M71 PolarHBondContact O-N 3.31Å; W68-M71 VanDerWaalsContact O-N 3.15Å; S69-M71 VanDerWaalsContact C-N 3.25Å; S69-M71 PolarHBondContact O-N 3.11Å; M71-V73 VanDerWaalsContact C-N 3.34Å; M71-V73 PolarHBondContact O-N 2.95Å; M71-S74 WeakPolarHBondContact CA-OG 3.22Å; M71-S74 PolarHBondContact O-N 3.23Å; M71-S74 PolarHBondContact O-OG 3.12Å; M71-L75 WeakPolarHBondContact O-CB 3.29Å; M71-L75 PolarHBondContact O-N 3.36Å; M71-L108 HydrophobicContact CE-CD2 3.72Å; M71-L108 HydrophobicContact CG-CD2 3.93Å; M71-L108 HydrophobicContact SD-CD2 3.54Å; M71-L108 VanDerWaalsContact SD-CD2 3.54Å
72L90.9Very high88.4Confident2 Ų254.6 Ų54.61%0.0129%0.291CS..Hα-helixtrans-63.5-40.8178.7-67.8173.5000112.1M57 W68 S69 L75 I76 V218M57-L72 HydrophobicContact SD-CB 4.32Å; W68-L72 PolarHBondContact O-N 3.17Å; S69-L72 PolarHBondContact O-N 3.5Å; L72-L75 PolarHBondContact O-N 3.42Å; L72-I76 PolarHBondContact O-N 3.06Å; L72-I76 VanDerWaalsContact O-N 3.07Å; L72-V218 HydrophobicContact CD2-CB 4.28Å; L72-V218 HydrophobicContact CD2-CG1 3.89Å
73V91.8Very high88.9Confident18 Ų1849.5 Ų49.511%0.10926%0.264CS..Hα-helixtrans-69.9-42.8179.1172.70000111.5I50 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.89Å; S69-V73 WeakPolarHBondContact O-CB 3.34Å; S69-V73 VanDerWaalsContact O-CG2 3.22Å; S69-V73 WeakPolarHBondContact O-CG2 3.01Å; S69-V73 PolarHBondContact O-N 3Å; M71-V73 VanDerWaalsContact C-N 3.34Å; M71-V73 PolarHBondContact O-N 2.95Å; V73-L75 VanDerWaalsContact C-N 3.32Å; V73-L75 PolarHBondContact O-N 2.98Å; V73-I76 VanDerWaalsContact O-CG2 3.27Å; V73-I76 WeakPolarHBondContact O-CG2 3.35Å; V73-I77 HydrophobicContact CG1-CD1 3.79Å; V73-I77 VanDerWaalsContact O-CD1 3.28Å; V73-I77 WeakPolarHBondContact O-CD1 3.32Å; V73-I77 WeakPolarHBondContact O-CG1 3.2Å; V73-I77 PolarHBondContact O-N 2.89Å
74S91.8Very high89.3Confident64 Ų6448.8 Ų48.845%0.44826%0.255SS..Hα-helixtrans-65-38.6175.753.30000111.8L70 M71 I77 F78L70-S74 VanDerWaalsContact O-CB 3.31Å; L70-S74 WeakPolarHBondContact O-CB 3.45Å; L70-S74 PolarHBondContact O-N 2.93Å; L70-S74 PolarHBondContact O-OG 3.41Å; M71-S74 WeakPolarHBondContact CA-OG 3.22Å; M71-S74 PolarHBondContact O-N 3.23Å; M71-S74 PolarHBondContact O-OG 3.12Å; S74-I77 PolarHBondContact O-N 3.08Å; S74-F78 VanDerWaalsContact O-CB 3.27Å; S74-F78 WeakPolarHBondContact O-CB 3.45Å; S74-F78 PolarHBondContact O-N 2.8Å
75L91.2Very high89.8Confident16 Ų1644.7 Ų44.78%0.08424%0.238CC..Hα-helixtrans-62.1-48.9177.6-174.976.9000112.6M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 WeakPolarHBondContact O-CB 3.29Å; M71-L75 PolarHBondContact O-N 3.36Å; L72-L75 PolarHBondContact O-N 3.42Å; V73-L75 VanDerWaalsContact C-N 3.32Å; V73-L75 PolarHBondContact O-N 2.98Å; L75-I77 VanDerWaalsContact C-N 3.32Å; L75-I77 PolarHBondContact O-N 3.43Å; L75-F78 PolarHBondContact O-N 3.11Å; L75-I79 HydrophobicContact CD1-CD1 3.98Å; L75-I79 HydrophobicContact CG-CD1 3.87Å; L75-I79 WeakPolarHBondContact O-CG1 3.37Å; L75-I79 PolarHBondContact O-N 3.34Å; L75-L108 HydrophobicContact CD1-CD1 3.54Å; L75-L108 HydrophobicContact CD2-CD1 3.71Å; L75-L108 HydrophobicContact CG-CD1 4.27Å; L75-F214 HydrophobicContact CD1-CE1 4.12Å; L75-F214 HydrophobicContact CD2-CD1 3.87Å; L75-F214 HydrophobicContact CD2-CE1 3.78Å; L75-F214 HydrophobicContact CG-CD1 4.32Å; L75-F214 HydrophobicContact CG-CE1 4.22Å; L75-T215 HydrophobicContact CB-CG2 4.11Å; L75-T215 HydrophobicContact CD2-CG2 3.52Å; L75-T215 HydrophobicContact CG-CG2 3.77Å
76I91.8Very high90Very high16 Ų1644.7 Ų44.78%0.08224%0.239CC..Hα-helixtrans-63.7-41-179.5-169.8168.9000111M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CB 4.39Å; M57-I76 HydrophobicContact CE-CD1 3.56Å; L72-I76 PolarHBondContact O-N 3.06Å; L72-I76 VanDerWaalsContact O-N 3.07Å; V73-I76 VanDerWaalsContact O-CG2 3.27Å; V73-I76 WeakPolarHBondContact O-CG2 3.35Å; I76-A80 WeakPolarHBondContact O-CB 3.25Å; I76-A80 PolarHBondContact O-N 2.77Å; I76-A211 HydrophobicContact CG1-CB 4.42Å; I76-Y212 HydrophobicContact CD1-CD2 4.19Å; I76-T215 HydrophobicContact CB-CG2 3.53Å; I76-T215 HydrophobicContact CG1-CG2 4.19Å
77I91.6Very high90.1Very high34 Ų3440.2 Ų40.217%0.17423%0.225CC..Hα-helixtrans-66.5-43.1178.8-63.9164.9000110.3I31 I50 V73 S74 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.39Å; I31-I77 HydrophobicContact CG1-CG2 4.46Å; I50-I77 HydrophobicContact CD1-CD1 4.03Å; I50-I77 HydrophobicContact CG1-CD1 3.72Å; V73-I77 HydrophobicContact CG1-CD1 3.79Å; V73-I77 VanDerWaalsContact O-CD1 3.28Å; V73-I77 WeakPolarHBondContact O-CD1 3.32Å; V73-I77 WeakPolarHBondContact O-CG1 3.2Å; V73-I77 PolarHBondContact O-N 2.89Å; S74-I77 PolarHBondContact O-N 3.08Å; L75-I77 VanDerWaalsContact C-N 3.32Å; L75-I77 PolarHBondContact O-N 3.43Å; I77-T81 HydrophobicContact CG2-CG2 4.29Å; I77-T81 WeakPolarHBondContact O-CB 3.01Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.5Å; I77-T81 PolarHBondContact O-N 3.3Å; I77-T81 PolarHBondContact O-OG1 2.81Å
78F91.3Very high90.2Very high48 Ų4839.9 Ų39.921%0.21122%0.219CC..Hα-helixtrans-60.4-53.8178.2179.6-104.2000111.5I24 S74 L75 A80 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.31Å; S74-F78 VanDerWaalsContact O-CB 3.27Å; S74-F78 WeakPolarHBondContact O-CB 3.45Å; S74-F78 PolarHBondContact O-N 2.8Å; L75-F78 PolarHBondContact O-N 3.11Å; F78-A80 PolarHBondContact O-N 3.18Å; F78-T81 PolarHBondContact O-N 3.18Å; F78-T81 PolarHBondContact O-OG1 3.31Å; F78-T82 HydrophobicContact CD2-CG2 4.3Å; F78-T82 HydrophobicContact CE1-CG2 4.19Å; F78-T82 HydrophobicContact CE2-CG2 3.92Å; F78-T82 HydrophobicContact CZ-CG2 3.87Å; F78-T82 WeakPolarHBondContact O-CG2 3.2Å; F78-T82 PolarHBondContact O-N 2.93Å; F78-T82 PolarHBondContact O-OG1 3.25Å; F78-T82 VanDerWaalsContact O-OG1 3.07Å; F78-M100 HydrophobicContact CE1-CE 3.84Å; F78-M100 HydrophobicContact CZ-CE 3.84Å; F78-M104 HydrophobicContact CD1-SD 3.93Å; F78-M104 HydrophobicContact CE1-CE 4.43Å; F78-M104 HydrophobicContact CE1-SD 3.61Å
79I91.2Very high89.9Confident0 Ų043.1 Ų43.10%025%0.245CC..Hα-helixtrans-64.8-42.4-177.7-61.3169.7000111.1L75 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 3.98Å; L75-I79 HydrophobicContact CG-CD1 3.87Å; L75-I79 WeakPolarHBondContact O-CG1 3.37Å; L75-I79 PolarHBondContact O-N 3.34Å; I79-T82 WeakPolarHBondContact CA-OG1 3.38Å; I79-T82 PolarHBondContact O-OG1 2.92Å; I79-N83 WeakPolarHBondContact O-CB 3.3Å; I79-N83 PolarHBondContact O-N 3.11Å; I79-N83 PolarHBondContact O-ND2 2.94Å; I79-N83 PolarHBondContact O-OD1 3.33Å; I79-L160 HydrophobicContact CG2-CD1 3.6Å; I79-A211 HydrophobicContact CB-CB 4.05Å; I79-A211 HydrophobicContact CG2-CB 3.74Å; I79-F214 HydrophobicContact CD1-CB 4.27Å; I79-F214 HydrophobicContact CD1-CD1 3.35Å; I79-F214 HydrophobicContact CD1-CD2 4.39Å; I79-F214 HydrophobicContact CD1-CE1 3.7Å; I79-F214 HydrophobicContact CD1-CG 3.76Å; I79-F214 HydrophobicContact CD1-CZ 4.36Å
80A90.8Very high89.6Confident29 Ų2950.5 Ų50.524%0.2427%0.274CS..Hα-helixtrans-63.4-43.8179.200000111.7I76 F78 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.25Å; I76-A80 PolarHBondContact O-N 2.77Å; F78-A80 PolarHBondContact O-N 3.18Å; A80-L84 WeakPolarHBondContact O-CB 3.4Å; A80-L84 PolarHBondContact O-N 3.19Å; A80-A211 HydrophobicContact CB-CB 3.92Å
81T91.3Very high89.3Confident35 Ų3545.4 Ų45.422%0.21525%0.251CS..Hα-helixtrans-68.6-43.9179.352.70000111.9P27 I77 F78 N83 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.31Å; I77-T81 HydrophobicContact CG2-CG2 4.29Å; I77-T81 WeakPolarHBondContact O-CB 3.01Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.5Å; I77-T81 PolarHBondContact O-N 3.3Å; I77-T81 PolarHBondContact O-OG1 2.81Å; F78-T81 PolarHBondContact O-N 3.18Å; F78-T81 PolarHBondContact O-OG1 3.31Å; T81-N83 VanDerWaalsContact C-N 3.33Å; T81-N83 PolarHBondContact O-N 3.34Å; T81-L84 PolarHBondContact O-N 3.27Å; T81-L85 VanDerWaalsContact O-CB 3.31Å; T81-L85 WeakPolarHBondContact O-CB 3.41Å; T81-L85 WeakPolarHBondContact O-CD1 3.21Å; T81-L85 WeakPolarHBondContact O-CG 3.49Å; T81-L85 PolarHBondContact O-N 3.09Å
82T90.9Very high88.9Confident3 Ų343.5 Ų43.52%0.01824%0.24CC..Hα-helixtrans-61.8-40.4176.952.50000112.4P27 F78 I79 G86P27-T82 HydrophobicContact CB-CG2 4.26Å; P27-T82 HydrophobicContact CG-CG2 3.47Å; P27-T82 VanDerWaalsContact CG-CG2 3.47Å; F78-T82 HydrophobicContact CD2-CG2 4.3Å; F78-T82 HydrophobicContact CE1-CG2 4.19Å; F78-T82 HydrophobicContact CE2-CG2 3.92Å; F78-T82 HydrophobicContact CZ-CG2 3.87Å; F78-T82 WeakPolarHBondContact O-CG2 3.2Å; F78-T82 PolarHBondContact O-N 2.93Å; F78-T82 PolarHBondContact O-OG1 3.25Å; F78-T82 VanDerWaalsContact O-OG1 3.07Å; I79-T82 WeakPolarHBondContact CA-OG1 3.38Å; I79-T82 PolarHBondContact O-OG1 2.92Å; T82-G86 PolarHBondContact O-N 3.34Å; T82-G86 VanDerWaalsContact O-N 3.07Å
83N91.1Very high88.6Confident2 Ų243.6 Ų43.61%0.01124%0.241CC..Hα-helixtrans-71.2-40.3-179.6-67.1-9.6000111.3I79 T81 G86 L87 T95 I164 A207I79-N83 WeakPolarHBondContact O-CB 3.3Å; I79-N83 PolarHBondContact O-N 3.11Å; I79-N83 PolarHBondContact O-ND2 2.94Å; I79-N83 PolarHBondContact O-OD1 3.33Å; T81-N83 VanDerWaalsContact C-N 3.33Å; T81-N83 PolarHBondContact O-N 3.34Å; N83-G86 WeakPolarHBondContact O-CA 3.36Å; N83-G86 PolarHBondContact O-N 3.33Å; N83-G86 VanDerWaalsContact O-N 3.13Å; N83-L87 PolarHBondContact O-N 3.29Å; N83-T95 WeakPolarHBondContact OD1-CB 3.44Å; N83-T95 VanDerWaalsContact OD1-CG2 3.32Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.31Å; N83-T95 PolarHBondContact OD1-OG1 3.32Å; N83-I164 HydrophobicContact CB-CD1 4.3Å; N83-I164 VanDerWaalsContact CG-CD1 3.43Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.25Å; N83-A207 HydrophobicContact CB-CB 3.9Å; N83-A207 PolarHBondContact ND2-O 2.96Å
84L89.9Confident88.1Confident99 Ų9943.1 Ų43.152%0.51824%0.238SC..Hα-helixtrans-68.6-43.4179.1-167.873.6000112.1A80 T81 G86 L87 I204A80-L84 WeakPolarHBondContact O-CB 3.4Å; A80-L84 PolarHBondContact O-N 3.19Å; T81-L84 PolarHBondContact O-N 3.27Å; L84-G86 PolarHBondContact O-N 2.95Å; L84-L87 PolarHBondContact O-N 3.39Å; L84-I204 HydrophobicContact CD1-CG2 4.17Å
85L89.8Confident87.8Confident35 Ų3540.1 Ų40.118%0.18322%0.217CC..Hα-helixtrans-56.6-31.6170.2-85.2157.1000111.9F26 P27 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD1 4.09Å; F26-L85 HydrophobicContact CD1-CD2 3.84Å; F26-L85 HydrophobicContact CE1-CD2 3.7Å; P27-L85 HydrophobicContact CB-CD1 3.85Å; P27-L85 HydrophobicContact CG-CD1 3.82Å; L30-L85 HydrophobicContact CD1-CD1 3.66Å; L30-L85 HydrophobicContact CD1-CD2 3.95Å; L30-L85 HydrophobicContact CD1-CG 4.04Å; T81-L85 VanDerWaalsContact O-CB 3.31Å; T81-L85 WeakPolarHBondContact O-CB 3.41Å; T81-L85 WeakPolarHBondContact O-CD1 3.21Å; T81-L85 WeakPolarHBondContact O-CG 3.49Å; T81-L85 PolarHBondContact O-N 3.09Å; L85-L87 VanDerWaalsContact C-N 3.32Å; L85-L87 PolarHBondContact O-N 3.07Å; L85-L88 HydrophobicContact CD2-CD1 4.13Å; L85-L88 WeakPolarHBondContact O-CB 3.44Å; L85-L88 WeakPolarHBondContact O-CG 3.05Å; L85-L88 PolarHBondContact O-N 3.42Å; L85-S91 WeakPolarHBondContact O-CB 3.41Å; L85-S91 PolarHBondContact O-OG 2.92Å
86G85.8Confident87.5Confident1 Ų139.9 Ų39.91%0.0122%0.217CC..Hα-helixtrans-62.9-32.7178.100000116.5T82 N83 L84 L88 S91 H168T82-G86 PolarHBondContact O-N 3.34Å; T82-G86 VanDerWaalsContact O-N 3.07Å; N83-G86 WeakPolarHBondContact O-CA 3.36Å; N83-G86 PolarHBondContact O-N 3.33Å; N83-G86 VanDerWaalsContact O-N 3.13Å; L84-G86 PolarHBondContact O-N 2.95Å; G86-L88 PolarHBondContact O-N 3.46Å; G86-S91 VanDerWaalsContact C-OG 3.31Å; G86-S91 WeakPolarHBondContact CA-OG 3.38Å; G86-S91 PolarHBondContact O-OG 2.79Å; G86-H168 PolarHBondContact O-CE1 3.06Å; G86-H168 PolarHBondContact O-NE2 3.47Å
87L86.7Confident87.4Confident38 Ų3842.4 Ų42.420%0.19923%0.228CC..THydrogen-bonded Turntrans-78.7-4.5-178.3-61.1174.6000113N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 3.29Å; L84-L87 PolarHBondContact O-N 3.39Å; L85-L87 VanDerWaalsContact C-N 3.32Å; L85-L87 PolarHBondContact O-N 3.07Å; L87-M171 HydrophobicContact CD2-CE 3.97Å; L87-E203 HydrophobicContact CD1-CG 4.42Å; L87-E203 HydrophobicContact CD2-CB 4.16Å; L87-E203 HydrophobicContact CD2-CG 3.4Å; L87-I204 HydrophobicContact CD1-CB 4.2Å; L87-I204 HydrophobicContact CD1-CG1 3.62Å; L87-A207 HydrophobicContact CD1-CB 4.08Å
88L87.5Confident87.2Confident96 Ų9644 Ų4450%0.50324%0.237SC..SBendtrans-66.5146.8174.7-65.9174.3000110.9L85 G86 H90 S91L85-L88 HydrophobicContact CD2-CD1 4.13Å; L85-L88 WeakPolarHBondContact O-CB 3.44Å; L85-L88 WeakPolarHBondContact O-CG 3.05Å; L85-L88 PolarHBondContact O-N 3.42Å; G86-L88 PolarHBondContact O-N 3.46Å; L88-H90 PolarHBondContact O-N 2.97Å; L88-S91 PolarHBondContact O-N 2.76Å; L88-S91 PolarHBondContact O-OG 3.34Å; L88-S91 VanDerWaalsContact O-OG 3.06Å
89P82.3Confident87Confident112 Ų11245.8 Ų45.873%0.72726%0.255SS*.THydrogen-bonded Turntrans-59.9132178.825-33.6000110.5S91P89-S91 PolarHBondContact O-N 3.15Å; P89-S91 VanDerWaalsContact O-N 3.15Å
90H82.5Confident86.8Confident202 Ų20247.8 Ų47.894%0.93527%0.265SS*.THydrogen-bonded Turntrans58.317.7-179.6-56.7-61.2000116L88L88-H90 PolarHBondContact O-N 2.97Å
91S84.4Confident86.7Confident35 Ų3546.5 Ų46.525%0.24525%0.254CS..  trans-80.9144.1170.670.50000111.1L85 G86 L88 P89L85-S91 WeakPolarHBondContact O-CB 3.41Å; L85-S91 PolarHBondContact O-OG 2.92Å; G86-S91 VanDerWaalsContact C-OG 3.31Å; G86-S91 WeakPolarHBondContact CA-OG 3.38Å; G86-S91 PolarHBondContact O-OG 2.79Å; L88-S91 PolarHBondContact O-N 2.76Å; L88-S91 PolarHBondContact O-OG 3.34Å; L88-S91 VanDerWaalsContact O-OG 3.06Å; P89-S91 PolarHBondContact O-N 3.15Å; P89-S91 VanDerWaalsContact O-N 3.15Å
92F82.3Confident86.5Confident28 Ų2846.8 Ų46.812%0.12325%0.254CS..  trans-89.8124.9171.5172.1-94.7000109.1S8 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.43Å; P12-F92 HydrophobicContact CG-CB 4.39Å; P12-F92 HydrophobicContact CG-CD1 4.12Å; P12-F92 HydrophobicContact CG-CD2 4.46Å; P12-F92 HydrophobicContact CG-CG 4.07Å; A20-F92 HydrophobicContact CB-CE1 4.42Å; I23-F92 HydrophobicContact CD1-CB 4.09Å; I23-F92 HydrophobicContact CD1-CD1 3.92Å; I23-F92 HydrophobicContact CD1-CG 4.37Å; I23-F92 HydrophobicContact CG2-CD1 4.4Å; F92-P94 HydrophobicContact CE1-CB 4.43Å; F92-P94 WeakPolarHBondContact O-CD 3.26Å; F92-Q97 HydrophobicContact CZ-CG 4.21Å
93T83.9Confident86.4Confident4 Ų449.8 Ų49.83%0.02528%0.279CS..  trans-93.3111.7177.329.10000111T95 T96 I164T93-T95 PolarHBondContact O-N 3.41Å; T93-T95 VanDerWaalsContact O-N 3.16Å; T93-T96 PolarHBondContact O-N 2.71Å; T93-T96 PolarHBondContact O-OG1 3.05Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.35Å; T93-I164 HydrophobicContact CG2-CG2 4.23Å
94P82.6Confident86.2Confident9 Ų950.9 Ų50.96%0.05828%0.284CS..G310 helixtrans-63.9-22.6176.126.5-33.6000112.6I24 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.26Å; I24-P94 HydrophobicContact CG1-CB 3.69Å; I24-P94 HydrophobicContact CG1-CG 4.05Å; F92-P94 HydrophobicContact CE1-CB 4.43Å; F92-P94 WeakPolarHBondContact O-CD 3.26Å; P94-T96 VanDerWaalsContact C-N 3.29Å; P94-T96 PolarHBondContact O-N 3.16Å; P94-Q97 PolarHBondContact O-N 3.35Å; P94-M100 WeakPolarHBondContact O-CB 3.45Å
95T85.1Confident86Confident1 Ų146.3 Ų46.31%0.00626%0.261CS..G310 helixtrans-76.7-7.8179.649.90000114.7N83 T93 Q97 N101 L160 I164N83-T95 WeakPolarHBondContact OD1-CB 3.44Å; N83-T95 VanDerWaalsContact OD1-CG2 3.32Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.31Å; N83-T95 PolarHBondContact OD1-OG1 3.32Å; T93-T95 PolarHBondContact O-N 3.41Å; T93-T95 VanDerWaalsContact O-N 3.16Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; T95-N101 PolarHBondContact O-ND2 3.25Å; T95-L160 HydrophobicContact CG2-CD2 3.94Å; T95-I164 VanDerWaalsContact OG1-CD1 3.32Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.17Å
96T85.4Confident86Confident11 Ų1148.6 Ų48.67%0.06727%0.272CS..G310 helixtrans-74.3-27169.855.70000112.4F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.84Å; F9-T96 HydrophobicContact CE1-CG2 3.72Å; T93-T96 PolarHBondContact O-N 2.71Å; T93-T96 PolarHBondContact O-OG1 3.05Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.35Å; P94-T96 VanDerWaalsContact C-N 3.29Å; P94-T96 PolarHBondContact O-N 3.16Å; T96-L98 PolarHBondContact O-N 3.44Å; T96-T161 WeakPolarHBondContact O-CG2 3.37Å; T96-I164 HydrophobicContact CG2-CB 4.35Å; T96-I164 HydrophobicContact CG2-CG2 3.65Å; T96-T165 HydrophobicContact CG2-CG2 3.73Å
97Q88.8Confident86.1Confident69 Ų6952.4 Ų52.432%0.32230%0.297SS..SBendtrans-78.2120.5178.5-65.8-63.5-29.300109.8F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 3.44Å; F92-Q97 HydrophobicContact CZ-CG 4.21Å; P94-Q97 PolarHBondContact O-N 3.35Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; Q97-S99 PolarHBondContact O-N 2.94Å; Q97-M100 PolarHBondContact O-N 3.15Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; Q97-N101 PolarHBondContact O-N 3.14Å
98L86.9Confident86.2Confident67 Ų6751.4 Ų51.435%0.35129%0.292SS..Hα-helixtrans-58-32.9178.7-17763.8000112.1T96 M100 N101 L102 M154 A157 V158 T161T96-L98 PolarHBondContact O-N 3.44Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 2.94Å; L98-N101 PolarHBondContact O-N 3.08Å; L98-L102 WeakPolarHBondContact O-CB 3.09Å; L98-L102 PolarHBondContact O-N 3.36Å; L98-M154 HydrophobicContact CD2-CE 4.12Å; L98-A157 HydrophobicContact CD1-CB 4.33Å; L98-V158 HydrophobicContact CD1-CG2 3.9Å; L98-T161 VanDerWaalsContact CA-CG2 3.45Å; L98-T161 HydrophobicContact CB-CG2 4.03Å; L98-T161 HydrophobicContact CD1-CG2 4Å
99S88.1Confident86.1Confident86 Ų8648.7 Ų48.760%0.60128%0.275SS*.Hα-helixtrans-56.4-43.7176.456.10000112.6Q97 A103Q97-S99 PolarHBondContact O-N 2.94Å; S99-A103 WeakPolarHBondContact O-CB 3.21Å; S99-A103 PolarHBondContact O-N 3.34Å
100M87.6Confident86.3Confident42 Ų4244.6 Ų44.621%0.20725%0.251CS..Hα-helixtrans-67.9-46.5-178.5-175.456.7-171.900111.2I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-SD 4.44Å; I24-M100 HydrophobicContact CG2-CE 4.36Å; F78-M100 HydrophobicContact CE1-CE 3.84Å; F78-M100 HydrophobicContact CZ-CE 3.84Å; P94-M100 WeakPolarHBondContact O-CB 3.45Å; Q97-M100 PolarHBondContact O-N 3.15Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 2.94Å; M100-L102 VanDerWaalsContact C-N 3.34Å; M100-L102 PolarHBondContact O-N 3.25Å; M100-A103 PolarHBondContact O-N 3.43Å; M100-M104 HydrophobicContact CE-CE 4.05Å; M100-M104 HydrophobicContact CE-CG 4.38Å; M100-M104 HydrophobicContact CE-SD 4.04Å; M100-M104 HydrophobicContact CG-CE 3.88Å; M100-M104 PolarHBondContact O-N 3.28Å; M100-M104 VanDerWaalsContact O-N 3.07Å
101N88.3Confident86.4Confident1 Ų136.1 Ų36.11%0.00522%0.217CC..Hα-helixtrans-67.7-37.3-179.2-65.3-10.2000111.9T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.25Å; Q97-N101 PolarHBondContact O-N 3.14Å; L98-N101 PolarHBondContact O-N 3.08Å; N101-M104 PolarHBondContact O-N 3.41Å; N101-A105 VanDerWaalsContact O-CB 3.29Å; N101-A105 WeakPolarHBondContact O-CB 3.42Å; N101-A105 PolarHBondContact O-N 3.38Å; N101-A157 HydrophobicContact CB-CB 3.89Å; N101-A157 PolarHBondContact ND2-O 3.16Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.42Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.48Å; N101-T161 HydrophobicContact CB-CG2 4.35Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.44Å; N101-T161 PolarHBondContact ND2-N 3.16Å
102L86.6Confident86.4Confident42 Ų4234.5 Ų34.522%0.2221%0.206CC..Hα-helixtrans-70.1-38.5177.4-162.866.1000111.5L98 M100 M104 A105 I106 M154 A157L98-L102 WeakPolarHBondContact O-CB 3.09Å; L98-L102 PolarHBondContact O-N 3.36Å; M100-L102 VanDerWaalsContact C-N 3.34Å; M100-L102 PolarHBondContact O-N 3.25Å; L102-M104 PolarHBondContact O-N 2.97Å; L102-A105 PolarHBondContact O-N 2.9Å; L102-I106 HydrophobicContact CD1-CD1 3.75Å; L102-I106 HydrophobicContact CD1-CG1 3.83Å; L102-I106 HydrophobicContact CD2-CD1 3.98Å; L102-I106 HydrophobicContact CG-CD1 3.49Å; L102-I106 VanDerWaalsContact CG-CD1 3.49Å; L102-I106 HydrophobicContact CG-CG1 3.95Å; L102-I106 WeakPolarHBondContact O-CG1 3.16Å; L102-I106 PolarHBondContact O-N 2.84Å; L102-M154 HydrophobicContact CD1-SD 3.41Å; L102-M154 WeakPolarHBondContact CD1-SD 3.44Å; L102-M154 HydrophobicContact CD2-SD 4.13Å; L102-M154 HydrophobicContact CG-SD 4.43Å; L102-A157 HydrophobicContact CB-CB 4.43Å; L102-A157 HydrophobicContact CD1-CB 4.06Å
103A89.2Confident86.4Confident65 Ų6533.9 Ų33.954%0.53721%0.205SC..Hα-helixtrans-63-29173.200000112.9S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.21Å; S99-A103 PolarHBondContact O-N 3.34Å; M100-A103 PolarHBondContact O-N 3.43Å; A103-P107 WeakPolarHBondContact O-CD 3.18Å; A103-P107 WeakPolarHBondContact O-CG 3.29Å
104M86.1Confident86.5Confident26 Ų2638.4 Ų38.413%0.12823%0.228CC..Hα-helixtrans-79.9-45.3171.2-70.5-175.9-7700112.3F78 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.93Å; F78-M104 HydrophobicContact CE1-CE 4.43Å; F78-M104 HydrophobicContact CE1-SD 3.61Å; M100-M104 HydrophobicContact CE-CE 4.05Å; M100-M104 HydrophobicContact CE-CG 4.38Å; M100-M104 HydrophobicContact CE-SD 4.04Å; M100-M104 HydrophobicContact CG-CE 3.88Å; M100-M104 PolarHBondContact O-N 3.28Å; M100-M104 VanDerWaalsContact O-N 3.07Å; N101-M104 PolarHBondContact O-N 3.41Å; L102-M104 PolarHBondContact O-N 2.97Å; M104-L108 VanDerWaalsContact O-CD1 3.25Å; M104-L108 WeakPolarHBondContact O-CD1 3.31Å; M104-L108 WeakPolarHBondContact O-CG 3.38Å
105A87.1Confident86.4Confident3 Ų340.1 Ų40.13%0.02524%0.235CC..Hα-helixtrans-70.9-45.4-171.700000113.5N101 L102 L108 W109 L156 A157 F214N101-A105 VanDerWaalsContact O-CB 3.29Å; N101-A105 WeakPolarHBondContact O-CB 3.42Å; N101-A105 PolarHBondContact O-N 3.38Å; L102-A105 PolarHBondContact O-N 2.9Å; A105-L108 PolarHBondContact O-N 3.45Å; A105-W109 VanDerWaalsContact O-CB 3.32Å; A105-W109 WeakPolarHBondContact O-CB 3.34Å; A105-W109 PolarHBondContact O-N 2.87Å; A105-L156 HydrophobicContact CB-CD2 4.49Å; A105-A157 HydrophobicContact CB-CB 4.25Å; A105-F214 HydrophobicContact CB-CE2 4.32Å; A105-F214 HydrophobicContact CB-CZ 4.12Å
106I88.2Confident86.1Confident83 Ų8340.1 Ų40.143%0.42624%0.236SC..Hα-helixtrans-62.3-49.8-174.9-65.6177000111.8L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.75Å; L102-I106 HydrophobicContact CD1-CG1 3.83Å; L102-I106 HydrophobicContact CD2-CD1 3.98Å; L102-I106 HydrophobicContact CG-CD1 3.49Å; L102-I106 VanDerWaalsContact CG-CD1 3.49Å; L102-I106 HydrophobicContact CG-CG1 3.95Å; L102-I106 WeakPolarHBondContact O-CG1 3.16Å; L102-I106 PolarHBondContact O-N 2.84Å; I106-L108 PolarHBondContact O-N 3.46Å; I106-W109 PolarHBondContact O-N 3.39Å; I106-A110 WeakPolarHBondContact O-CB 3.39Å; I106-A110 PolarHBondContact O-N 3.13Å
107P89.4Confident85.7Confident80 Ų8043.4 Ų43.452%0.51925%0.249SC..Hα-helixtrans-65.2-38-178.6-23.936.7000113.2A103 G111A103-P107 WeakPolarHBondContact O-CD 3.18Å; A103-P107 WeakPolarHBondContact O-CG 3.29Å; P107-G111 PolarHBondContact O-N 2.67Å
108L87.9Confident85.2Confident18 Ų1850.3 Ų50.39%0.09427%0.272CS..Hα-helixtrans-65.2-46.4178.1-74.3168.1000111.6M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.72Å; M71-L108 HydrophobicContact CG-CD2 3.93Å; M71-L108 HydrophobicContact SD-CD2 3.54Å; M71-L108 VanDerWaalsContact SD-CD2 3.54Å; L75-L108 HydrophobicContact CD1-CD1 3.54Å; L75-L108 HydrophobicContact CD2-CD1 3.71Å; L75-L108 HydrophobicContact CG-CD1 4.27Å; M104-L108 VanDerWaalsContact O-CD1 3.25Å; M104-L108 WeakPolarHBondContact O-CD1 3.31Å; M104-L108 WeakPolarHBondContact O-CG 3.38Å; A105-L108 PolarHBondContact O-N 3.45Å; I106-L108 PolarHBondContact O-N 3.46Å; L108-G111 PolarHBondContact O-N 3.29Å; L108-A112 PolarHBondContact O-N 2.95Å; L108-A112 VanDerWaalsContact O-N 3.1Å; L108-F214 HydrophobicContact CD1-CE1 4.18Å; L108-V218 HydrophobicContact CB-CG1 4.35Å
109W86.3Confident84.3Confident38 Ų3849.4 Ų49.414%0.14427%0.271CS..Hα-helixtrans-64.1-47.7176.1172.789.6000111.4A105 I106 G111 A112 V113 L149 L150 P153A105-W109 VanDerWaalsContact O-CB 3.32Å; A105-W109 WeakPolarHBondContact O-CB 3.34Å; A105-W109 PolarHBondContact O-N 2.87Å; I106-W109 PolarHBondContact O-N 3.39Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.3Å; W109-A112 PolarHBondContact O-N 3.41Å; W109-A112 VanDerWaalsContact O-N 3.14Å; W109-V113 HydrophobicContact CD2-CG2 4.07Å; W109-V113 HydrophobicContact CH2-CG2 4.38Å; W109-V113 HydrophobicContact CZ2-CG2 3.9Å; W109-V113 WeakPolarHBondContact O-CG2 3.41Å; W109-V113 PolarHBondContact O-N 3.26Å; W109-L149 HydrophobicContact CH2-CD2 4.11Å; W109-L149 HydrophobicContact CZ2-CD2 3.44Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.44Å; W109-L149 HydrophobicContact CZ2-CG 3.88Å; W109-L149 VanDerWaalsContact CZ2-O 3.27Å; W109-L149 WeakPolarHBondContact CZ2-O 3.46Å; W109-L149 PolarHBondContact NE1-O 3.38Å; W109-L150 HydrophobicContact CH2-CD2 3.73Å; W109-L150 HydrophobicContact CZ2-CD2 4.29Å; W109-P153 HydrophobicContact CB-CB 3.9Å; W109-P153 HydrophobicContact CB-CG 4.38Å; W109-P153 HydrophobicContact CD2-CB 4.3Å; W109-P153 HydrophobicContact CD2-CG 3.8Å; W109-P153 HydrophobicContact CE3-CG 4.32Å; W109-P153 HydrophobicContact CG-CB 3.84Å; W109-P153 HydrophobicContact CG-CG 3.81Å
110A85.4Confident83.5Confident27 Ų2749.6 Ų49.622%0.22326%0.261CS..Hα-helixtrans-60.5-40.9179.200000111I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.39Å; I106-A110 PolarHBondContact O-N 3.13Å; A110-V113 PolarHBondContact O-N 3.36Å; A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.31Å; A110-I114 WeakPolarHBondContact O-CD1 3.45Å; A110-I114 WeakPolarHBondContact O-CG1 3.46Å; A110-I114 PolarHBondContact O-N 2.84Å
111G85.8Confident82.4Confident23 Ų2352.8 Ų52.824%0.23728%0.278CS..Hα-helixtrans-60.3-44.5174.900000113P107 L108 W109 M115P107-G111 PolarHBondContact O-N 2.67Å; L108-G111 PolarHBondContact O-N 3.29Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.3Å; G111-M115 VanDerWaalsContact O-CB 3.3Å; G111-M115 WeakPolarHBondContact O-CB 3.31Å; G111-M115 PolarHBondContact O-N 3.49Å
112A83.8Confident81.3Confident1 Ų161.8 Ų61.81%0.00832%0.317CS..Hα-helixtrans-63.6-45.4177.200000111.8L108 W109 M115 G116 L222L108-A112 PolarHBondContact O-N 2.95Å; L108-A112 VanDerWaalsContact O-N 3.1Å; W109-A112 PolarHBondContact O-N 3.41Å; W109-A112 VanDerWaalsContact O-N 3.14Å; A112-M115 PolarHBondContact O-N 3.15Å; A112-G116 PolarHBondContact O-N 2.98Å; A112-L222 HydrophobicContact CB-CD1 4.39Å
113V83.1Confident80.4Confident15 Ų1564.6 Ų64.69%0.09133%0.333CS..Hα-helixtrans-64.8-46.5178.7172.80000111.5W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.07Å; W109-V113 HydrophobicContact CH2-CG2 4.38Å; W109-V113 HydrophobicContact CZ2-CG2 3.9Å; W109-V113 WeakPolarHBondContact O-CG2 3.41Å; W109-V113 PolarHBondContact O-N 3.26Å; A110-V113 PolarHBondContact O-N 3.36Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 2.91Å; V113-G116 PolarHBondContact O-N 3.2Å; V113-G116 VanDerWaalsContact O-N 3.13Å; V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.37Å; V113-F117 VanDerWaalsContact O-CD2 3.23Å; V113-F117 WeakPolarHBondContact O-CD2 2.97Å; V113-F117 PolarHBondContact O-N 3.35Å
114I84.5Confident79.2Confident99 Ų9962.4 Ų62.451%0.50832%0.315SS..Hα-helixtrans-61.2-39.1176.9-68.4163.6000110.6A110 G116 F117 R118A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.31Å; A110-I114 WeakPolarHBondContact O-CD1 3.45Å; A110-I114 WeakPolarHBondContact O-CG1 3.46Å; A110-I114 PolarHBondContact O-N 2.84Å; I114-G116 VanDerWaalsContact C-N 3.35Å; I114-F117 PolarHBondContact O-N 2.68Å; I114-R118 HydrophobicContact CG2-CG 4.43Å; I114-R118 WeakPolarHBondContact O-CB 3.38Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.32Å; I114-R118 PolarHBondContact O-N 3.39Å
115M81.6Confident78.1Confident45 Ų4565.5 Ų65.522%0.22233%0.331CS..Hα-helixtrans-65.1-37.9175.9-172.8170.1179.600112.1W68 G111 A112 V113 R118 S119 L222 T226W68-M115 HydrophobicContact CZ2-SD 4Å; W68-M115 PolarHBondContact NE1-SD 3.39Å; G111-M115 VanDerWaalsContact O-CB 3.3Å; G111-M115 WeakPolarHBondContact O-CB 3.31Å; G111-M115 PolarHBondContact O-N 3.49Å; A112-M115 PolarHBondContact O-N 3.15Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 2.91Å; M115-R118 PolarHBondContact O-N 3.4Å; M115-S119 WeakPolarHBondContact O-CB 3.38Å; M115-S119 PolarHBondContact O-N 3.07Å; M115-S119 PolarHBondContact O-OG 2.92Å; M115-S119 VanDerWaalsContact O-OG 3.05Å; M115-L222 HydrophobicContact SD-CD1 4.24Å; M115-T226 HydrophobicContact CE-CG2 4.27Å
116G77.1Confident76.9Confident1 Ų168 Ų681%0.0135%0.351CS..Hα-helixtrans-62.5-50.6173.400000112.9A112 V113 I114 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 2.98Å; V113-G116 PolarHBondContact O-N 3.2Å; V113-G116 VanDerWaalsContact O-N 3.13Å; I114-G116 VanDerWaalsContact C-N 3.35Å; G116-R118 VanDerWaalsContact C-N 3.3Å; G116-R118 PolarHBondContact O-N 3.13Å; G116-S119 PolarHBondContact O-N 2.79Å; G116-S119 PolarHBondContact O-OG 3.48Å; G116-K120 CarbonylContact O-C 3.6Å; G116-K120 PolarHBondContact O-N 3.26Å; G116-N225 WeakPolarHBondContact CA-O 3.36Å
117F78.3Confident75.8Confident80 Ų8069.5 Ų69.535%0.35136%0.356SS..Hα-helixtrans-59.8-39.9175.6-78-65.6000112.2V113 I114 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.37Å; V113-F117 VanDerWaalsContact O-CD2 3.23Å; V113-F117 WeakPolarHBondContact O-CD2 2.97Å; V113-F117 PolarHBondContact O-N 3.35Å; I114-F117 PolarHBondContact O-N 2.68Å; F117-I121 WeakPolarHBondContact O-CG1 3.32Å; F117-A124 HydrophobicContact CD1-CB 4.3Å; F117-A124 HydrophobicContact CE1-CB 4.39Å; F117-L125 HydrophobicContact CD1-CD1 4.16Å; F117-L125 HydrophobicContact CE1-CD1 3.78Å; F117-F128 HydrophobicContact CZ-CE2 4.4Å
118R77.3Confident74.5Confident215 Ų21567.5 Ų67.581%0.81134%0.339SS*.Hα-helixtrans-70.7-34.8178.7-73.9-178.869.7-169.32.2113.6I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.43Å; I114-R118 WeakPolarHBondContact O-CB 3.38Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.32Å; I114-R118 PolarHBondContact O-N 3.39Å; M115-R118 PolarHBondContact O-N 3.4Å; G116-R118 VanDerWaalsContact C-N 3.3Å; G116-R118 PolarHBondContact O-N 3.13Å
119S69.1Low73.3Confident47 Ų4769.8 Ų69.833%0.32935%0.352SS..Hα-helixtrans-88.2-39.7-172.970.30000113.5M115 G116 N225M115-S119 WeakPolarHBondContact O-CB 3.38Å; M115-S119 PolarHBondContact O-N 3.07Å; M115-S119 PolarHBondContact O-OG 2.92Å; M115-S119 VanDerWaalsContact O-OG 3.05Å; G116-S119 PolarHBondContact O-N 2.79Å; G116-S119 PolarHBondContact O-OG 3.48Å; S119-N225 PolarHBondContact OG-O 3.42Å
120K70.6Confident72.1Confident90 Ų9071.3 Ų71.339%0.39137%0.366SS..  trans-146.971.5-176.1-67.3175.2-178.11590111.4G116 K122 N123 A124 T226G116-K120 CarbonylContact O-C 3.6Å; G116-K120 PolarHBondContact O-N 3.26Å; K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 3.22Å; K120-N123 HydrophobicContact CB-CB 3.92Å; K120-N123 HydrophobicContact CD-CB 4.28Å; K120-N123 PolarHBondContact O-N 3.22Å; K120-N123 VanDerWaalsContact O-N 3.1Å; K120-A124 WeakPolarHBondContact O-CB 3.39Å; K120-A124 PolarHBondContact O-N 3.35Å; K120-T226 WeakPolarHBondContact CE-O 3.15Å; K120-T226 PolarHBondContact NZ-O 3.31Å; K120-T226 PolarHBondContact NZ-OXT 3.42Å
121I65.6Low71Confident109 Ų10979.7 Ų79.756%0.55940%0.401SS*.Hα-helixtrans-47.2-49.4177.3-59.8169.6000111.7F117 N123 A124 L125F117-I121 WeakPolarHBondContact O-CG1 3.32Å; I121-N123 PolarHBondContact O-N 3.05Å; I121-A124 PolarHBondContact O-N 3.28Å; I121-L125 HydrophobicContact CG2-CD1 3.79Å; I121-L125 WeakPolarHBondContact O-CD1 3.43Å; I121-L125 PolarHBondContact O-N 3.37Å
122K64Low69.8Low190 Ų19082.5 Ų82.583%0.82643%0.43SS*.Hα-helixtrans-65.8-37.1-176.1-64.3-175.4-179.3-177.20113.3K120 A126K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 3.22Å; K122-A126 VanDerWaalsContact O-CB 3.26Å; K122-A126 WeakPolarHBondContact O-CB 3.34Å; K122-A126 PolarHBondContact O-N 3.2Å
123N67.8Low69.2Low102 Ų10284.2 Ų84.255%0.54544%0.44SS..Hα-helixtrans-79.5-36.4-177.7-143.561.5000111.2K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.92Å; K120-N123 HydrophobicContact CD-CB 4.28Å; K120-N123 PolarHBondContact O-N 3.22Å; K120-N123 VanDerWaalsContact O-N 3.1Å; I121-N123 PolarHBondContact O-N 3.05Å; N123-A126 PolarHBondContact O-N 2.89Å; N123-H127 PolarHBondContact O-N 3.07Å; N123-H127 VanDerWaalsContact O-N 3.13Å
124A64.3Low68.6Low19 Ų1987.1 Ų87.116%0.15746%0.459CS..Hα-helixtrans-63.1-42.7172.900000111.5F117 K120 I121 H127F117-A124 HydrophobicContact CD1-CB 4.3Å; F117-A124 HydrophobicContact CE1-CB 4.39Å; K120-A124 WeakPolarHBondContact O-CB 3.39Å; K120-A124 PolarHBondContact O-N 3.35Å; I121-A124 PolarHBondContact O-N 3.28Å; A124-H127 PolarHBondContact O-N 3.09Å
125L63.5Low68.2Low91 Ų9188.2 Ų88.248%0.47647%0.471SS..Hα-helixtrans-70.5-32.3174.7-87.383.4000112.8F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.16Å; F117-L125 HydrophobicContact CE1-CD1 3.78Å; I121-L125 HydrophobicContact CG2-CD1 3.79Å; I121-L125 WeakPolarHBondContact O-CD1 3.43Å; I121-L125 PolarHBondContact O-N 3.37Å; L125-H127 VanDerWaalsContact C-N 3.28Å; L125-H127 PolarHBondContact O-N 2.96Å; L125-F128 PolarHBondContact O-N 2.96Å
126A62.1Low68.2Low54 Ų5491.2 Ų91.245%0.44649%0.494SS..Hα-helixtrans-67.4-28.1176.800000112.7K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.26Å; K122-A126 WeakPolarHBondContact O-CB 3.34Å; K122-A126 PolarHBondContact O-N 3.2Å; N123-A126 PolarHBondContact O-N 2.89Å; A126-F128 PolarHBondContact O-N 3.34Å; A126-L129 PolarHBondContact O-N 2.96Å; A126-L129 VanDerWaalsContact O-N 3.08Å
127H64.6Low68.3Low115 Ų11596.3 Ų96.353%0.53252%0.52SS..THydrogen-bonded Turntrans-64.6-21.4175.5-163.2-66.4000112.9N123 A124 L125 L129N123-H127 PolarHBondContact O-N 3.07Å; N123-H127 VanDerWaalsContact O-N 3.13Å; A124-H127 PolarHBondContact O-N 3.09Å; L125-H127 VanDerWaalsContact C-N 3.28Å; L125-H127 PolarHBondContact O-N 2.96Å; H127-L129 PolarHBondContact O-N 3.45Å
128F62.1Low68.4Low38 Ų3894.8 Ų94.817%0.16752%0.515CS..THydrogen-bonded Turntrans-69.7-14.1173.9-67.2-57.5000113.5F117 L125 A126 L141 E145 T146 L149F117-F128 HydrophobicContact CZ-CE2 4.4Å; L125-F128 PolarHBondContact O-N 2.96Å; A126-F128 PolarHBondContact O-N 3.34Å; F128-L141 WeakPolarHBondContact O-CD2 3.27Å; F128-E145 HydrophobicContact CD1-CB 4.26Å; F128-E145 HydrophobicContact CD1-CG 3.87Å; F128-T146 HydrophobicContact CD1-CG2 4.19Å; F128-T146 HydrophobicContact CE1-CG2 4Å; F128-T146 HydrophobicContact CZ-CG2 4.5Å; F128-L149 HydrophobicContact CE1-CD1 4.45Å
129L61.8Low68.4Low67 Ų6788.5 Ų88.535%0.35150%0.502SS..SBendtrans-122.1114.6175.8-93.179000110.9A126 H127 Q131 I138 V142A126-L129 PolarHBondContact O-N 2.96Å; A126-L129 VanDerWaalsContact O-N 3.08Å; H127-L129 PolarHBondContact O-N 3.45Å; L129-Q131 PolarHBondContact O-N 3.01Å; L129-I138 HydrophobicContact CD1-CG2 4.18Å; L129-I138 HydrophobicContact CD2-CD1 4.26Å; L129-I138 HydrophobicContact CD2-CG1 4.37Å; L129-I138 HydrophobicContact CD2-CG2 3.77Å; L129-I138 HydrophobicContact CG-CG2 4.16Å; L129-V142 HydrophobicContact CD1-CG2 3.42Å; L129-V142 VanDerWaalsContact CD1-CG2 3.42Å; L129-V142 HydrophobicContact CG-CG2 4.49Å
130P61.3Low69.1Low70 Ų7091.8 Ų91.846%0.45551%0.514SS..  trans-62.3138.2165.315.4-14.1000109.7G132 T133 L141P130-G132 PolarHBondContact O-N 3.43Å; P130-T133 HydrophobicContact CB-CG2 4.37Å; P130-T133 HydrophobicContact CG-CG2 3.71Å; P130-T133 WeakPolarHBondContact O-CG2 3.33Å; P130-L141 HydrophobicContact CG-CD1 3.79Å; P130-L141 HydrophobicContact CG-CD2 3.89Å
131Q62.4Low69.7Low203 Ų20389.8 Ų89.895%0.94951%0.507SS*.THydrogen-bonded Turntrans-64.4127.8-179.4-63.7-170.8-1.700110.2L129L129-Q131 PolarHBondContact O-N 3.01Å
132G61.3Low70.5Confident82 Ų8286.8 Ų86.885%0.84549%0.494SS*.THydrogen-bonded Turntrans9912.4175.700000116.2P130P130-G132 PolarHBondContact O-N 3.43Å
133T70.1Confident71.4Confident36 Ų3682.1 Ų82.122%0.22148%0.477CS..  trans-72.9134175.954.60000112.3P130 L141P130-T133 HydrophobicContact CB-CG2 4.37Å; P130-T133 HydrophobicContact CG-CG2 3.71Å; P130-T133 WeakPolarHBondContact O-CG2 3.33Å; T133-L141 HydrophobicContact CG2-CD1 3.95Å
134P71.9Confident72.3Confident76 Ų7681.6 Ų81.649%0.49447%0.473SS..  trans-65.6141.2176.429.6-36.7000111.2P136 L137P134-P136 WeakPolarHBondContact O-CD 3.27Å; P134-P136 VanDerWaalsContact O-N 3.12Å; P134-L137 HydrophobicContact CG-CB 4.41Å; P134-L137 HydrophobicContact CG-CD1 3.81Å; P134-L137 HydrophobicContact CG-CG 4.42Å; P134-L137 PolarHBondContact O-N 2.98Å
135T75.6Confident73.2Confident122 Ų12283.5 Ų83.575%0.74848%0.479SS*.THydrogen-bonded Turntrans-49.7-35.1-171.2490000117.1
136P81.8Confident74Confident109 Ų10981.6 Ų81.671%0.70847%0.471SS*.THydrogen-bonded Turntrans-75.9-22.1179.127.1-34.4000114.5P134 P139P134-P136 WeakPolarHBondContact O-CD 3.27Å; P134-P136 VanDerWaalsContact O-N 3.12Å; P136-P139 WeakPolarHBondContact O-CD 3.12Å
137L79.7Confident75.1Confident107 Ų10783 Ų8356%0.5647%0.47SS*.THydrogen-bonded Turntrans-88.4-10.6-176.9-73.9170.9000113.4P134 M140 L141P134-L137 HydrophobicContact CG-CB 4.41Å; P134-L137 HydrophobicContact CG-CD1 3.81Å; P134-L137 HydrophobicContact CG-CG 4.42Å; P134-L137 PolarHBondContact O-N 2.98Å; L137-M140 PolarHBondContact O-N 3.43Å; L137-L141 PolarHBondContact O-N 3.47Å; L137-L141 VanDerWaalsContact O-N 3.14Å
138I78.8Confident76Confident48 Ų4880 Ų8025%0.24646%0.462CS..Hα-helixtrans-56.3-48.5-176.7-63.2176.1000112.7L129 M140 L141 V142L129-I138 HydrophobicContact CD1-CG2 4.18Å; L129-I138 HydrophobicContact CD2-CD1 4.26Å; L129-I138 HydrophobicContact CD2-CG1 4.37Å; L129-I138 HydrophobicContact CD2-CG2 3.77Å; L129-I138 HydrophobicContact CG-CG2 4.16Å; I138-M140 VanDerWaalsContact C-N 3.32Å; I138-M140 PolarHBondContact O-N 3.35Å; I138-L141 PolarHBondContact O-N 3.32Å; I138-V142 HydrophobicContact CG2-CG2 4.38Å; I138-V142 WeakPolarHBondContact O-CG2 3.2Å; I138-V142 PolarHBondContact O-N 2.88Å; I138-V142 VanDerWaalsContact O-N 3.11Å
139P78.9Confident77Confident84 Ų8480.2 Ų80.255%0.54547%0.465SS..Hα-helixtrans-64.2-37.5-175.3-20.733.2000112.8P136 I143P136-P139 WeakPolarHBondContact O-CD 3.12Å; P139-I143 WeakPolarHBondContact O-CG1 3.35Å; P139-I143 PolarHBondContact O-N 3.48Å
140M82.9Confident77.9Confident116 Ų11682.1 Ų82.157%0.57148%0.475SS*.Hα-helixtrans-68.8-41.5178.6-174.263.9-172.800111.4L137 I138 I143 I144L137-M140 PolarHBondContact O-N 3.43Å; I138-M140 VanDerWaalsContact C-N 3.32Å; I138-M140 PolarHBondContact O-N 3.35Å; M140-I143 PolarHBondContact O-N 3.5Å; M140-I144 HydrophobicContact CE-CD1 3.95Å; M140-I144 HydrophobicContact CE-CG1 4.18Å; M140-I144 HydrophobicContact CG-CD1 4.11Å; M140-I144 WeakPolarHBondContact O-CG1 3.5Å; M140-I144 PolarHBondContact O-N 2.89Å; M140-I144 VanDerWaalsContact O-N 3.12Å
141L84Confident79.1Confident48 Ų4883.4 Ų83.425%0.25148%0.477SS..Hα-helixtrans-67.1-40.2-177.9-169.1147.1000112F128 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 3.27Å; P130-L141 HydrophobicContact CG-CD1 3.79Å; P130-L141 HydrophobicContact CG-CD2 3.89Å; T133-L141 HydrophobicContact CG2-CD1 3.95Å; L137-L141 PolarHBondContact O-N 3.47Å; L137-L141 VanDerWaalsContact O-N 3.14Å; I138-L141 PolarHBondContact O-N 3.32Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 2.94Å; L141-I144 PolarHBondContact O-N 3.35Å; L141-E145 PolarHBondContact O-N 3.45Å
142V80.8Confident80Confident45 Ų4577 Ų7727%0.27345%0.447SS..Hα-helixtrans-58.9-43.1175.2173.30000111L129 I138 I144 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.42Å; L129-V142 VanDerWaalsContact CD1-CG2 3.42Å; L129-V142 HydrophobicContact CG-CG2 4.49Å; I138-V142 HydrophobicContact CG2-CG2 4.38Å; I138-V142 WeakPolarHBondContact O-CG2 3.2Å; I138-V142 PolarHBondContact O-N 2.88Å; I138-V142 VanDerWaalsContact O-N 3.11Å; V142-I144 PolarHBondContact O-N 3.25Å; V142-E145 PolarHBondContact O-N 3.07Å; V142-T146 HydrophobicContact CG1-CG2 4.34Å; V142-T146 VanDerWaalsContact O-CG2 3.24Å; V142-T146 WeakPolarHBondContact O-CG2 3.1Å; V142-T146 PolarHBondContact O-N 3.31Å; V142-T146 PolarHBondContact O-OG1 2.93Å
143I84.6Confident80.9Confident92 Ų9273.6 Ų73.647%0.47241%0.41SS..Hα-helixtrans-61.3-47.1177.4-66.4166.8000110.3P139 M140 L141 E145 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.35Å; P139-I143 PolarHBondContact O-N 3.48Å; M140-I143 PolarHBondContact O-N 3.5Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 2.94Å; I143-E145 PolarHBondContact O-N 3.29Å; I143-T146 PolarHBondContact O-N 3.46Å; I143-T146 PolarHBondContact O-OG1 2.97Å; I143-I147 HydrophobicContact CG2-CD1 3.75Å; I143-I147 VanDerWaalsContact O-CG1 3.29Å; I143-I147 WeakPolarHBondContact O-CG1 3.35Å; I143-I147 PolarHBondContact O-N 3.18Å
144I85.3Confident81.5Confident91 Ų9175.7 Ų75.747%0.46742%0.418SS..Hα-helixtrans-62.4-43.6179.8-64.3165.7000111.2M140 L141 V142 I147 S148M140-I144 HydrophobicContact CE-CD1 3.95Å; M140-I144 HydrophobicContact CE-CG1 4.18Å; M140-I144 HydrophobicContact CG-CD1 4.11Å; M140-I144 WeakPolarHBondContact O-CG1 3.5Å; M140-I144 PolarHBondContact O-N 2.89Å; M140-I144 VanDerWaalsContact O-N 3.12Å; L141-I144 PolarHBondContact O-N 3.35Å; V142-I144 PolarHBondContact O-N 3.25Å; I144-I147 PolarHBondContact O-N 3.17Å; I144-S148 WeakPolarHBondContact O-CB 3.22Å; I144-S148 PolarHBondContact O-N 3.09Å
145E83.4Confident82.1Confident59 Ų5974 Ų7428%0.27641%0.41SS..Hα-helixtrans-67-39.7-179-166.661.5-159.900111.6F128 L141 V142 I143 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.26Å; F128-E145 HydrophobicContact CD1-CG 3.87Å; L141-E145 PolarHBondContact O-N 3.45Å; V142-E145 PolarHBondContact O-N 3.07Å; I143-E145 PolarHBondContact O-N 3.29Å; E145-I147 VanDerWaalsContact C-N 3.32Å; E145-I147 PolarHBondContact O-N 3.22Å; E145-S148 WeakPolarHBondContact O-CB 3.15Å; E145-S148 PolarHBondContact O-N 3.47Å; E145-L149 WeakPolarHBondContact O-CB 3.42Å; E145-L149 PolarHBondContact O-N 3.29Å
146T80.8Confident82.4Confident51 Ų5168.4 Ų68.431%0.31338%0.376SS..Hα-helixtrans-63-38.4174.159.50000112.3F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.19Å; F128-T146 HydrophobicContact CE1-CG2 4Å; F128-T146 HydrophobicContact CZ-CG2 4.5Å; V142-T146 HydrophobicContact CG1-CG2 4.34Å; V142-T146 VanDerWaalsContact O-CG2 3.24Å; V142-T146 WeakPolarHBondContact O-CG2 3.1Å; V142-T146 PolarHBondContact O-N 3.31Å; V142-T146 PolarHBondContact O-OG1 2.93Å; I143-T146 PolarHBondContact O-N 3.46Å; I143-T146 PolarHBondContact O-OG1 2.97Å; T146-L150 WeakPolarHBondContact O-CG 3.49Å; T146-L150 PolarHBondContact O-N 3.5Å
147I85Confident82.4Confident83 Ų8363.2 Ų63.243%0.42634%0.342SS..Hα-helixtrans-68-43.3174.9-67.7166.9000110.7I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.75Å; I143-I147 VanDerWaalsContact O-CG1 3.29Å; I143-I147 WeakPolarHBondContact O-CG1 3.35Å; I143-I147 PolarHBondContact O-N 3.18Å; I144-I147 PolarHBondContact O-N 3.17Å; E145-I147 VanDerWaalsContact C-N 3.32Å; E145-I147 PolarHBondContact O-N 3.22Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.06Å; I147-L150 PolarHBondContact O-N 2.98Å; I147-L150 VanDerWaalsContact O-N 3.17Å; 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 3.1Å; I147-I151 PolarHBondContact O-N 3.17Å
148S83.7Confident82.8Confident52 Ų5261.1 Ų61.136%0.36433%0.334SS..Hα-helixtrans-57.2-46.6177.6-176.80000111.6I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.22Å; I144-S148 PolarHBondContact O-N 3.09Å; E145-S148 WeakPolarHBondContact O-CB 3.15Å; E145-S148 PolarHBondContact O-N 3.47Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 2.92Å; S148-I151 PolarHBondContact O-N 3.44Å; S148-Q152 PolarHBondContact O-N 2.92Å; S148-Q152 VanDerWaalsContact O-N 3.13Å
149L82.3Confident83.2Confident43 Ų4363.6 Ų63.623%0.22534%0.34CS..Hα-helixtrans-60.5-36.7177.8-173.7121000112.2W109 F128 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.11Å; W109-L149 HydrophobicContact CZ2-CD2 3.44Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.44Å; W109-L149 HydrophobicContact CZ2-CG 3.88Å; W109-L149 VanDerWaalsContact CZ2-O 3.27Å; W109-L149 WeakPolarHBondContact CZ2-O 3.46Å; W109-L149 PolarHBondContact NE1-O 3.38Å; F128-L149 HydrophobicContact CE1-CD1 4.45Å; E145-L149 WeakPolarHBondContact O-CB 3.42Å; E145-L149 PolarHBondContact O-N 3.29Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.06Å; L149-P153 WeakPolarHBondContact O-CD 3.44Å
150L82.3Confident83.3Confident108 Ų10859.6 Ų59.657%0.56531%0.314SS*.Hα-helixtrans-77.7-34.7177.3-71.9173.3000113.7W109 T146 I147 S148 P153W109-L150 HydrophobicContact CH2-CD2 3.73Å; W109-L150 HydrophobicContact CZ2-CD2 4.29Å; T146-L150 WeakPolarHBondContact O-CG 3.49Å; T146-L150 PolarHBondContact O-N 3.5Å; I147-L150 PolarHBondContact O-N 2.98Å; I147-L150 VanDerWaalsContact O-N 3.17Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 2.92Å; L150-P153 WeakPolarHBondContact O-CD 3.07Å; L150-P153 WeakPolarHBondContact O-CG 3.37Å
151I84.9Confident83.5Confident97 Ų9754.7 Ų54.750%0.49729%0.291SS..Hα-helixtrans-73-31.2-179.2-69.9173.4000111.2I147 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 3.1Å; I147-I151 PolarHBondContact O-N 3.17Å; S148-I151 PolarHBondContact O-N 3.44Å; I151-M154 WeakPolarHBondContact O-CB 3.15Å; I151-M154 PolarHBondContact O-N 3.22Å; I151-M154 VanDerWaalsContact O-N 3.12Å; I151-A155 HydrophobicContact CG2-CB 4.44Å; I151-A155 WeakPolarHBondContact O-CB 3.46Å; I151-A155 PolarHBondContact O-N 2.84Å
152Q82.9Confident83.5Confident69 Ų6954.4 Ų54.432%0.32230%0.295SS..Hα-helixtrans-51.1-52.7-177.7-107.8175-18.200116.1S148 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 2.92Å; S148-Q152 VanDerWaalsContact O-N 3.13Å; Q152-M154 VanDerWaalsContact C-N 3.28Å; Q152-M154 PolarHBondContact O-N 2.98Å; Q152-A155 PolarHBondContact O-N 2.86Å; Q152-L156 PolarHBondContact O-N 3.39Å; Q152-Y221 WeakPolarHBondContact CB-OH 3.37Å; Q152-Y221 HydrophobicContact CG-CE1 4.37Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.33Å; Q152-Y221 PolarHBondContact NE2-OH 2.84Å; Q152-Y221 PolarHBondContact OE1-OH 3.47Å
153P78.8Confident83.8Confident9 Ų955.1 Ų55.16%0.05830%0.297CS..Hα-helixtrans-64.4-34.2178.224-34.5000112.2W109 L149 L150 L156 A157W109-P153 HydrophobicContact CB-CB 3.9Å; W109-P153 HydrophobicContact CB-CG 4.38Å; W109-P153 HydrophobicContact CD2-CB 4.3Å; W109-P153 HydrophobicContact CD2-CG 3.8Å; W109-P153 HydrophobicContact CE3-CG 4.32Å; W109-P153 HydrophobicContact CG-CB 3.84Å; W109-P153 HydrophobicContact CG-CG 3.81Å; L149-P153 WeakPolarHBondContact O-CD 3.44Å; L150-P153 WeakPolarHBondContact O-CD 3.07Å; L150-P153 WeakPolarHBondContact O-CG 3.37Å; P153-L156 PolarHBondContact O-N 3.07Å; P153-A157 PolarHBondContact O-N 3.36Å; P153-A157 VanDerWaalsContact O-N 3.17Å
154M83.6Confident83.9Confident80 Ų8051 Ų5139%0.39428%0.276SS..Hα-helixtrans-66.4-46.2175.1-167.170.7-170.400111L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD2-CE 4.12Å; L102-M154 HydrophobicContact CD1-SD 3.41Å; L102-M154 WeakPolarHBondContact CD1-SD 3.44Å; L102-M154 HydrophobicContact CD2-SD 4.13Å; L102-M154 HydrophobicContact CG-SD 4.43Å; I151-M154 WeakPolarHBondContact O-CB 3.15Å; I151-M154 PolarHBondContact O-N 3.22Å; I151-M154 VanDerWaalsContact O-N 3.12Å; Q152-M154 VanDerWaalsContact C-N 3.28Å; Q152-M154 PolarHBondContact O-N 2.98Å; M154-L156 VanDerWaalsContact C-N 3.28Å; M154-L156 PolarHBondContact O-N 3.31Å; M154-A157 PolarHBondContact O-N 3.38Å; M154-V158 HydrophobicContact CE-CG2 4.25Å; M154-V158 HydrophobicContact CG-CG2 4.49Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.27Å; M154-V158 PolarHBondContact O-N 3.31Å
155A84.9Confident84Confident40 Ų4048.4 Ų48.433%0.33127%0.265SS..Hα-helixtrans-61.8-36.9178.500000112I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.44Å; I151-A155 WeakPolarHBondContact O-CB 3.46Å; I151-A155 PolarHBondContact O-N 2.84Å; Q152-A155 PolarHBondContact O-N 2.86Å; A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.32Å; A155-R159 PolarHBondContact O-N 3.29Å
156L80.1Confident84.2Confident6 Ų648.3 Ų48.33%0.03127%0.274CS..Hα-helixtrans-62.2-48.4175.1-163.884.3000111.8A105 Q152 P153 M154 R159 L160 F214 L217 V218A105-L156 HydrophobicContact CB-CD2 4.49Å; Q152-L156 PolarHBondContact O-N 3.39Å; P153-L156 PolarHBondContact O-N 3.07Å; M154-L156 VanDerWaalsContact C-N 3.28Å; M154-L156 PolarHBondContact O-N 3.31Å; L156-R159 PolarHBondContact O-N 3.15Å; L156-L160 PolarHBondContact O-N 3.3Å; L156-F214 HydrophobicContact CD1-CD2 4.25Å; L156-F214 HydrophobicContact CD2-CD1 4.17Å; L156-F214 HydrophobicContact CD2-CD2 3.31Å; L156-F214 HydrophobicContact CD2-CE1 4.04Å; L156-F214 HydrophobicContact CD2-CE2 3.16Å; L156-F214 HydrophobicContact CD2-CG 3.82Å; L156-F214 HydrophobicContact CD2-CZ 3.56Å; L156-F214 HydrophobicContact CG-CD2 3.44Å; L156-F214 VanDerWaalsContact CG-CD2 3.44Å; L156-F214 HydrophobicContact CG-CE2 3.63Å; L156-F214 HydrophobicContact CG-CG 4.18Å; L156-F214 HydrophobicContact CG-CZ 4.49Å; L156-L217 HydrophobicContact CD1-CB 3.9Å; L156-L217 HydrophobicContact CD1-CD1 3.34Å; L156-L217 HydrophobicContact CD1-CG 4.25Å; L156-V218 HydrophobicContact CD2-CG2 4.31Å
157A83.7Confident84.5Confident0 Ų046.1 Ų46.10%026%0.262CS..Hα-helixtrans-64-45179.600000111.8L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.33Å; N101-A157 HydrophobicContact CB-CB 3.89Å; N101-A157 PolarHBondContact ND2-O 3.16Å; L102-A157 HydrophobicContact CB-CB 4.43Å; L102-A157 HydrophobicContact CD1-CB 4.06Å; A105-A157 HydrophobicContact CB-CB 4.25Å; P153-A157 PolarHBondContact O-N 3.36Å; P153-A157 VanDerWaalsContact O-N 3.17Å; M154-A157 PolarHBondContact O-N 3.38Å; A157-R159 PolarHBondContact O-N 3.22Å; A157-L160 PolarHBondContact O-N 2.78Å; A157-T161 PolarHBondContact O-N 2.92Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 2.98Å
158V86.9Confident84.7Confident62 Ų6243.7 Ų43.738%0.37625%0.248SC..Hα-helixtrans-64-39.4177.8172.80000111.4L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.9Å; M154-V158 HydrophobicContact CE-CG2 4.25Å; M154-V158 HydrophobicContact CG-CG2 4.49Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.27Å; M154-V158 PolarHBondContact O-N 3.31Å; V158-L160 VanDerWaalsContact C-N 3.28Å; V158-L160 PolarHBondContact O-N 3.06Å; V158-T161 WeakPolarHBondContact CA-OG1 3.38Å; V158-T161 PolarHBondContact O-N 3.36Å; V158-T161 PolarHBondContact O-OG1 3.2Å; V158-A162 WeakPolarHBondContact O-CB 3.36Å; V158-A162 PolarHBondContact O-N 3.4Å
159R87.1Confident84.9Confident101 Ų10143.2 Ų43.238%0.38124%0.242SC..Hα-helixtrans-59.7-41.6177.5-169.1-173.5-62156.61.9111.4A155 L156 A157 N163 Q210A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.32Å; A155-R159 PolarHBondContact O-N 3.29Å; L156-R159 PolarHBondContact O-N 3.15Å; A157-R159 PolarHBondContact O-N 3.22Å; R159-N163 VanDerWaalsContact O-CG 3.28Å; R159-N163 PolarHBondContact O-N 3.31Å; R159-Q210 VanDerWaalsContact C-NE2 3.27Å; R159-Q210 VanDerWaalsContact CG-NE2 3.32Å
160L81.8Confident85.2Confident0 Ų045.1 Ų45.10%025%0.252CS..Hα-helixtrans-71.7-41.4-178.2-160.9135.4000111.6I79 T95 N101 L156 A157 V158 I164 Q210 F214I79-L160 HydrophobicContact CG2-CD1 3.6Å; T95-L160 HydrophobicContact CG2-CD2 3.94Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.42Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.48Å; L156-L160 PolarHBondContact O-N 3.3Å; A157-L160 PolarHBondContact O-N 2.78Å; V158-L160 VanDerWaalsContact C-N 3.28Å; V158-L160 PolarHBondContact O-N 3.06Å; L160-I164 HydrophobicContact CD2-CD1 3.76Å; L160-I164 HydrophobicContact CG-CD1 4.21Å; L160-I164 WeakPolarHBondContact O-CG1 3.31Å; L160-I164 PolarHBondContact O-N 3.13Å; L160-Q210 HydrophobicContact CB-CG 4.13Å; L160-Q210 HydrophobicContact CD1-CG 3.67Å; L160-Q210 HydrophobicContact CG-CG 3.75Å; L160-F214 HydrophobicContact CD1-CB 4.5Å; L160-F214 HydrophobicContact CD1-CD2 4.11Å
161T85.6Confident85.6Confident13 Ų1341.4 Ų41.48%0.0823%0.232CC..Hα-helixtrans-65.3-46.2174.648.90000112.1T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.37Å; L98-T161 VanDerWaalsContact CA-CG2 3.45Å; L98-T161 HydrophobicContact CB-CG2 4.03Å; L98-T161 HydrophobicContact CD1-CG2 4Å; N101-T161 HydrophobicContact CB-CG2 4.35Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.44Å; N101-T161 PolarHBondContact ND2-N 3.16Å; A157-T161 PolarHBondContact O-N 2.92Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 2.98Å; V158-T161 WeakPolarHBondContact CA-OG1 3.38Å; V158-T161 PolarHBondContact O-N 3.36Å; V158-T161 PolarHBondContact O-OG1 3.2Å; T161-N163 PolarHBondContact O-N 3.46Å; T161-I164 PolarHBondContact O-N 2.97Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.46Å; T161-T165 WeakPolarHBondContact O-CG2 3.35Å; T161-T165 PolarHBondContact O-N 2.94Å; T161-T165 PolarHBondContact O-OG1 2.74Å
162A84.8Confident85.8Confident42 Ų4241 Ų4135%0.34723%0.227SC..Hα-helixtrans-63.5-44.6-172.700000111.1V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.36Å; V158-A162 PolarHBondContact O-N 3.4Å; A162-T165 PolarHBondContact O-OG1 3.02Å; A162-A166 WeakPolarHBondContact O-CB 3.28Å; A162-A166 PolarHBondContact O-N 3.43Å
163N88.3Confident86.1Confident59 Ų5941.7 Ų41.732%0.31623%0.233SC..Hα-helixtrans-63.6-49.1-179.6-69.5-6.2000111.3R159 T161 G167 V206R159-N163 VanDerWaalsContact O-CG 3.28Å; R159-N163 PolarHBondContact O-N 3.31Å; T161-N163 PolarHBondContact O-N 3.46Å; N163-G167 PolarHBondContact O-N 3.01Å; N163-V206 HydrophobicContact CB-CG1 4.04Å
164I85.5Confident86.7Confident6 Ų642.8 Ų42.83%0.03124%0.238CC..Hα-helixtrans-69.9-40.5-176.6-59172.6000111.5N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.3Å; N83-I164 VanDerWaalsContact CG-CD1 3.43Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.25Å; T93-I164 HydrophobicContact CG2-CG2 4.23Å; T95-I164 VanDerWaalsContact OG1-CD1 3.32Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.17Å; T96-I164 HydrophobicContact CG2-CB 4.35Å; T96-I164 HydrophobicContact CG2-CG2 3.65Å; L160-I164 HydrophobicContact CD2-CD1 3.76Å; L160-I164 HydrophobicContact CG-CD1 4.21Å; L160-I164 WeakPolarHBondContact O-CG1 3.31Å; L160-I164 PolarHBondContact O-N 3.13Å; T161-I164 PolarHBondContact O-N 2.97Å; I164-H168 WeakPolarHBondContact O-CB 3.43Å; I164-H168 PolarHBondContact O-CD2 3.22Å; I164-H168 PolarHBondContact O-N 3.07Å; I164-H168 VanDerWaalsContact O-N 3.09Å
165T87.6Confident87.1Confident37 Ų3740.1 Ų40.123%0.22723%0.231CC..Hα-helixtrans-66.9-46177.453.10000111.8F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.39Å; F9-T165 HydrophobicContact CE1-CG2 4.09Å; T96-T165 HydrophobicContact CG2-CG2 3.73Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.46Å; T161-T165 WeakPolarHBondContact O-CG2 3.35Å; T161-T165 PolarHBondContact O-N 2.94Å; T161-T165 PolarHBondContact O-OG1 2.74Å; A162-T165 PolarHBondContact O-OG1 3.02Å; T165-H168 PolarHBondContact O-N 2.96Å; T165-L169 WeakPolarHBondContact O-CB 3.25Å; T165-L169 WeakPolarHBondContact O-CG 3.38Å; T165-L169 PolarHBondContact O-N 3.38Å
166A87.2Confident87.3Confident56 Ų5640.7 Ų40.746%0.46323%0.232SC..Hα-helixtrans-64.2-42.6178.600000111.4A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.28Å; A162-A166 PolarHBondContact O-N 3.43Å; A166-L169 PolarHBondContact O-N 3.08Å; A166-L170 VanDerWaalsContact O-CB 3.3Å; A166-L170 WeakPolarHBondContact O-CB 3.33Å; A166-L170 PolarHBondContact O-N 3.06Å
167G87.9Confident87.6Confident6 Ų643.4 Ų43.46%0.06225%0.249CC..Hα-helixtrans-59.6-48.2176.400000112.7N163 L169 L170 M171 E203N163-G167 PolarHBondContact O-N 3.01Å; G167-L169 PolarHBondContact O-N 2.72Å; G167-L170 PolarHBondContact O-N 3.28Å; G167-M171 WeakPolarHBondContact O-CG 3.46Å; G167-M171 PolarHBondContact O-N 3.47Å; G167-E203 WeakPolarHBondContact CA-OE2 3.37Å
168H87.9Confident88Confident32 Ų3244.4 Ų44.415%0.14826%0.256CS..Hα-helixtrans-62.2-43175.8-92-91.3000113.3F9 G86 I164 T165 M171 H172F9-H168 HydrophobicContact CE1-CB 4.11Å; F9-H168 HydrophobicContact CZ-CB 3.82Å; G86-H168 PolarHBondContact O-CE1 3.06Å; G86-H168 PolarHBondContact O-NE2 3.47Å; I164-H168 WeakPolarHBondContact O-CB 3.43Å; I164-H168 PolarHBondContact O-CD2 3.22Å; I164-H168 PolarHBondContact O-N 3.07Å; I164-H168 VanDerWaalsContact O-N 3.09Å; T165-H168 PolarHBondContact O-N 2.96Å; H168-M171 PolarHBondContact O-N 2.85Å; H168-H172 WeakPolarHBondContact O-CB 3.49Å; H168-H172 PolarHBondContact O-N 2.97Å
169L88.1Confident88.1Confident42 Ų4247.6 Ų47.622%0.2227%0.27CS..Hα-helixtrans-62.5-43.2175.8-77.7170.3000111.4F6 F9 T165 A166 G167 H172 L173F6-L169 HydrophobicContact CD1-CD2 4.42Å; F6-L169 HydrophobicContact CE1-CD1 4.12Å; F6-L169 HydrophobicContact CE1-CD2 4.07Å; F6-L169 HydrophobicContact CZ-CD2 4.48Å; F9-L169 HydrophobicContact CE2-CD1 4.43Å; F9-L169 HydrophobicContact CE2-CD2 3.69Å; F9-L169 HydrophobicContact CE2-CG 3.76Å; F9-L169 HydrophobicContact CZ-CD2 4.33Å; F9-L169 HydrophobicContact CZ-CG 3.93Å; T165-L169 WeakPolarHBondContact O-CB 3.25Å; T165-L169 WeakPolarHBondContact O-CG 3.38Å; T165-L169 PolarHBondContact O-N 3.38Å; A166-L169 PolarHBondContact O-N 3.08Å; G167-L169 PolarHBondContact O-N 2.72Å; L169-H172 PolarHBondContact O-N 3.44Å; L169-L173 WeakPolarHBondContact O-CB 3.4Å; L169-L173 WeakPolarHBondContact O-CG 3.13Å; L169-L173 PolarHBondContact O-N 3.37Å
170L89.8Confident88.2Confident83 Ų8345.1 Ų45.144%0.43527%0.271SS..Hα-helixtrans-64.5-44.4179.1-160.991.3000111.1A166 G167 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.3Å; A166-L170 WeakPolarHBondContact O-CB 3.33Å; A166-L170 PolarHBondContact O-N 3.06Å; G167-L170 PolarHBondContact O-N 3.28Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.3Å; L170-L173 PolarHBondContact O-N 3.31Å; L170-I174 HydrophobicContact CD2-CD1 4.34Å; L170-I174 HydrophobicContact CG-CD1 4.21Å; L170-I174 WeakPolarHBondContact O-CG1 3.31Å; L170-I174 PolarHBondContact O-N 3.34Å; L170-L199 HydrophobicContact CB-CD2 4.17Å; L170-L199 HydrophobicContact CD2-CD1 3.4Å; L170-L199 HydrophobicContact CD2-CD2 3.46Å; L170-L199 VanDerWaalsContact CD2-CD2 3.46Å; L170-L199 HydrophobicContact CD2-CG 4.04Å; L170-L199 HydrophobicContact CG-CD2 3.97Å
171M90.4Very high88.5Confident30 Ų3048.1 Ų48.115%0.14829%0.286CS..Hα-helixtrans-60-42.1174.9-74.5-171.8-69.600111.7L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 3.97Å; G167-M171 WeakPolarHBondContact O-CG 3.46Å; G167-M171 PolarHBondContact O-N 3.47Å; H168-M171 PolarHBondContact O-N 2.85Å; M171-G175 PolarHBondContact O-N 3Å; M171-L199 HydrophobicContact CB-CD2 4.38Å; M171-L199 HydrophobicContact CG-CD2 3.61Å; M171-L199 HydrophobicContact CG-CG 4.1Å; M171-T200 HydrophobicContact SD-CG2 3.95Å; M171-E203 HydrophobicContact CE-CG 4.16Å
172H89Confident88.6Confident88 Ų8850.7 Ų50.741%0.40730%0.304SS..Hα-helixtrans-68.2-41.8178.1-169.7-61.6000112.1L5 H168 L169 L170 G175 S176L5-H172 VanDerWaalsContact CD2-CE1 3.4Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.25Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.27Å; H168-H172 WeakPolarHBondContact O-CB 3.49Å; H168-H172 PolarHBondContact O-N 2.97Å; L169-H172 PolarHBondContact O-N 3.44Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.3Å; H172-G175 PolarHBondContact O-N 3.46Å; H172-S176 WeakPolarHBondContact O-CB 3.12Å; H172-S176 PolarHBondContact O-N 2.96Å; H172-S176 PolarHBondContact O-OG 3.46Å
173L90.1Very high88.7Confident84 Ų8454.3 Ų54.344%0.4432%0.322SS..Hα-helixtrans-62.8-50177.9-74.6171.6000110.7L5 L169 L170 G175 S176 T177L5-L173 HydrophobicContact CD1-CD2 4.09Å; L5-L173 HydrophobicContact CD2-CD2 4.36Å; L169-L173 WeakPolarHBondContact O-CB 3.4Å; L169-L173 WeakPolarHBondContact O-CG 3.13Å; L169-L173 PolarHBondContact O-N 3.37Å; L170-L173 PolarHBondContact O-N 3.31Å; L173-G175 VanDerWaalsContact C-N 3.32Å; L173-G175 PolarHBondContact O-N 2.97Å; L173-S176 PolarHBondContact O-N 3.45Å; L173-S176 VanDerWaalsContact O-N 3.17Å; L173-S176 PolarHBondContact O-OG 3.34Å; L173-T177 WeakPolarHBondContact O-CG2 3.46Å; L173-T177 PolarHBondContact O-N 2.91Å
174I91.4Very high88.7Confident31 Ų3156.6 Ų56.616%0.15933%0.333CS..Hα-helixtrans-64.3-38.3177.4-62.4178.7000110.8L170 S176 T177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 4.34Å; L170-I174 HydrophobicContact CG-CD1 4.21Å; L170-I174 WeakPolarHBondContact O-CG1 3.31Å; L170-I174 PolarHBondContact O-N 3.34Å; I174-S176 VanDerWaalsContact C-N 3.32Å; I174-S176 PolarHBondContact O-N 3.25Å; I174-T177 WeakPolarHBondContact CA-OG1 3.3Å; I174-T177 PolarHBondContact O-N 3.31Å; I174-T177 PolarHBondContact O-OG1 2.85Å; I174-T178 HydrophobicContact CG2-CG2 4.36Å; I174-T178 WeakPolarHBondContact O-CG2 3.46Å; I174-T178 PolarHBondContact O-N 3.37Å; I174-T178 PolarHBondContact O-OG1 3.36Å; I174-I192 HydrophobicContact CG2-CG2 3.81Å; I174-I195 HydrophobicContact CD1-CG2 4.27Å; I174-L196 HydrophobicContact CB-CD1 4.18Å; I174-L196 HydrophobicContact CG2-CB 3.97Å; I174-L196 HydrophobicContact CG2-CD1 4.01Å; I174-L199 HydrophobicContact CD1-CD2 3.89Å
175G90.3Very high88.9Confident24 Ų2460.8 Ų60.825%0.24736%0.356CS..Hα-helixtrans-61.9-37.117400000113.4M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 3Å; H172-G175 PolarHBondContact O-N 3.46Å; L173-G175 VanDerWaalsContact C-N 3.32Å; L173-G175 PolarHBondContact O-N 2.97Å; G175-T178 WeakPolarHBondContact CA-OG1 3.46Å; G175-T178 PolarHBondContact O-OG1 3.5Å; G175-L179 PolarHBondContact O-N 3.31Å
176S89Confident88.9Confident52 Ų5265.7 Ų65.736%0.36438%0.38SS..Hα-helixtrans-71.7-35.1175.572.40000112.4H172 L173 I174 L179 A180H172-S176 WeakPolarHBondContact O-CB 3.12Å; H172-S176 PolarHBondContact O-N 2.96Å; H172-S176 PolarHBondContact O-OG 3.46Å; L173-S176 PolarHBondContact O-N 3.45Å; L173-S176 VanDerWaalsContact O-N 3.17Å; L173-S176 PolarHBondContact O-OG 3.34Å; I174-S176 VanDerWaalsContact C-N 3.32Å; I174-S176 PolarHBondContact O-N 3.25Å; S176-L179 PolarHBondContact O-N 3.32Å; S176-A180 WeakPolarHBondContact O-CB 3.32Å; S176-A180 PolarHBondContact O-N 2.88Å
177T88.3Confident89Confident63 Ų6367.5 Ų67.539%0.38739%0.387SS..Hα-helixtrans-73.2-37.6176.761.50000111.9L173 I174 L179 A180 M181L173-T177 WeakPolarHBondContact O-CG2 3.46Å; L173-T177 PolarHBondContact O-N 2.91Å; I174-T177 WeakPolarHBondContact CA-OG1 3.3Å; I174-T177 PolarHBondContact O-N 3.31Å; I174-T177 PolarHBondContact O-OG1 2.85Å; T177-L179 VanDerWaalsContact C-N 3.31Å; T177-L179 PolarHBondContact O-N 3.45Å; T177-A180 PolarHBondContact O-N 2.98Å; T177-M181 WeakPolarHBondContact O-CB 3.35Å; T177-M181 WeakPolarHBondContact O-CG 3.45Å; T177-M181 PolarHBondContact O-N 2.8Å
178T90.6Very high89.1Confident22 Ų2269 Ų6914%0.13540%0.396CS..Hα-helixtrans-60-43.7172.655.80000110.9I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.36Å; I174-T178 WeakPolarHBondContact O-CG2 3.46Å; I174-T178 PolarHBondContact O-N 3.37Å; I174-T178 PolarHBondContact O-OG1 3.36Å; G175-T178 WeakPolarHBondContact CA-OG1 3.46Å; G175-T178 PolarHBondContact O-OG1 3.5Å; T178-M181 PolarHBondContact O-N 2.62Å; T178-S182 WeakPolarHBondContact O-CB 3.39Å; T178-S182 PolarHBondContact O-N 3.5Å; T178-I192 HydrophobicContact CG2-CB 3.85Å; T178-I192 HydrophobicContact CG2-CG2 3.35Å
179L89.8Confident89.3Confident129 Ų12968.4 Ų68.468%0.67540%0.395SS*.Hα-helixtrans-64.4-44.7177.7-166.4117.5000111.7G175 S176 T177 S182G175-L179 PolarHBondContact O-N 3.31Å; S176-L179 PolarHBondContact O-N 3.32Å; T177-L179 VanDerWaalsContact C-N 3.31Å; T177-L179 PolarHBondContact O-N 3.45Å; L179-S182 WeakPolarHBondContact O-CB 3.46Å; L179-S182 PolarHBondContact O-N 2.86Å; L179-S182 PolarHBondContact O-OG 3.38Å
180A88.9Confident89.5Confident49 Ų4972.2 Ų72.241%0.40542%0.415SS..Hα-helixtrans-62.4-45.8176.400000112.1S176 T177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.32Å; S176-A180 PolarHBondContact O-N 2.88Å; T177-A180 PolarHBondContact O-N 2.98Å; A180-S182 PolarHBondContact O-N 2.91Å; A180-T183 PolarHBondContact O-N 3.2Å; A180-T183 PolarHBondContact O-OG1 3.34Å
181M87.9Confident89.6Confident63 Ų6373.2 Ų73.231%0.3142%0.42SS..Hα-helixtrans-68.9-21.9-179.3-67.2-65.8114.400112.9T177 T178 T183 I184 N185 T189 I192T177-M181 WeakPolarHBondContact O-CB 3.35Å; T177-M181 WeakPolarHBondContact O-CG 3.45Å; T177-M181 PolarHBondContact O-N 2.8Å; T178-M181 PolarHBondContact O-N 2.62Å; M181-T183 PolarHBondContact O-N 2.99Å; M181-I184 HydrophobicContact CE-CD1 3.68Å; M181-I184 PolarHBondContact O-N 2.86Å; M181-I184 HydrophobicContact SD-CD1 4.21Å; M181-N185 PolarHBondContact O-N 3.42Å; M181-N185 VanDerWaalsContact O-N 3.09Å; M181-T189 HydrophobicContact CB-CG2 3.66Å; M181-T189 WeakPolarHBondContact O-CG2 3.27Å; M181-I192 HydrophobicContact CB-CD1 4.3Å; M181-I192 HydrophobicContact CG-CD1 3.8Å
182S87.9Confident89.8Confident67 Ų6773.7 Ų73.747%0.46942%0.422SS..Hα-helixtrans-58.9-29.6179.775.60000112.3T178 L179 A180 T189T178-S182 WeakPolarHBondContact O-CB 3.39Å; T178-S182 PolarHBondContact O-N 3.5Å; L179-S182 WeakPolarHBondContact O-CB 3.46Å; L179-S182 PolarHBondContact O-N 2.86Å; L179-S182 PolarHBondContact O-OG 3.38Å; A180-S182 PolarHBondContact O-N 2.91Å; S182-T189 VanDerWaalsContact N-CG2 3.27Å
183T87.9Confident89.9Confident118 Ų11874.7 Ų74.772%0.72443%0.426SS*.THydrogen-bonded Turntrans-82.4-18.2178.7660000113.4A180 M181A180-T183 PolarHBondContact O-N 3.2Å; A180-T183 PolarHBondContact O-OG1 3.34Å; M181-T183 PolarHBondContact O-N 2.99Å
184I88.4Confident90.1Very high107 Ų10774.4 Ų74.455%0.54943%0.428SS..THydrogen-bonded Turntrans-100.1-61.2-172.1-55.7174.6000110.5M181M181-I184 HydrophobicContact CE-CD1 3.68Å; M181-I184 PolarHBondContact O-N 2.86Å; M181-I184 HydrophobicContact SD-CD1 4.21Å
185N88.9Confident90.3Very high93 Ų9376.9 Ų76.950%0.49744%0.44SS..  trans-146.9116.3-171.5-85-18.7000111.7M181 S188 T189M181-N185 PolarHBondContact O-N 3.42Å; M181-N185 VanDerWaalsContact O-N 3.09Å; N185-S188 WeakPolarHBondContact CB-OG 3.36Å; N185-S188 PolarHBondContact O-OG 3.38Å; N185-T189 WeakPolarHBondContact O-CG2 3.41Å; N185-T189 PolarHBondContact O-N 2.93Å
186L87.9Confident90.4Very high141 Ų14177.2 Ų77.274%0.73844%0.436SS*.Hα-helixtrans-57.9-45.6177.5-15888.6000114.5S188 T189 L190L186-S188 PolarHBondContact O-N 3.5Å; L186-T189 PolarHBondContact O-N 3.2Å; L186-T189 VanDerWaalsContact O-N 3.14Å; L186-T189 PolarHBondContact O-OG1 3.38Å; L186-L190 PolarHBondContact O-N 2.96Å
187P89.7Confident90.6Very high94 Ų9478.4 Ų78.461%0.6144%0.438SS*.Hα-helixtrans-66.9-38.5-175.724.7-32.6000112.6T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.29Å; P187-T189 PolarHBondContact O-N 3.37Å; P187-L190 PolarHBondContact O-N 2.95Å; P187-I191 PolarHBondContact O-N 2.98Å
188S88.3Confident90.9Very high37 Ų3781 Ų8126%0.25945%0.449SS..Hα-helixtrans-64.7-33.9173.843.50000112.4N185 L186 L190 I191 I192N185-S188 WeakPolarHBondContact CB-OG 3.36Å; N185-S188 PolarHBondContact O-OG 3.38Å; L186-S188 PolarHBondContact O-N 3.5Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 2.99Å; S188-I191 PolarHBondContact O-N 3.5Å; S188-I192 WeakPolarHBondContact O-CG1 3.25Å; S188-I192 PolarHBondContact O-N 3.42Å; S188-I192 VanDerWaalsContact O-N 3.11Å
189T92.3Very high91Very high20 Ų2080.9 Ų80.912%0.12345%0.447CS..Hα-helixtrans-67.2-36.1178.664.80000112.7M181 S182 N185 L186 P187 I191 I192 F193M181-T189 HydrophobicContact CB-CG2 3.66Å; M181-T189 WeakPolarHBondContact O-CG2 3.27Å; S182-T189 VanDerWaalsContact N-CG2 3.27Å; N185-T189 WeakPolarHBondContact O-CG2 3.41Å; N185-T189 PolarHBondContact O-N 2.93Å; L186-T189 PolarHBondContact O-N 3.2Å; L186-T189 VanDerWaalsContact O-N 3.14Å; L186-T189 PolarHBondContact O-OG1 3.38Å; P187-T189 VanDerWaalsContact C-N 3.29Å; P187-T189 PolarHBondContact O-N 3.37Å; T189-I191 VanDerWaalsContact C-N 3.28Å; T189-I191 PolarHBondContact O-N 3.03Å; T189-I192 PolarHBondContact O-N 2.96Å; T189-F193 WeakPolarHBondContact O-CB 3.37Å; T189-F193 PolarHBondContact O-N 3.2Å
190L92Very high91.1Very high121 Ų12177.2 Ų77.263%0.63443%0.43SS*.Hα-helixtrans-62.2-41.9177.4-162.183.7000110.2L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 2.96Å; P187-L190 PolarHBondContact O-N 2.95Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 2.99Å; L190-F193 PolarHBondContact O-N 3.39Å; L190-T194 WeakPolarHBondContact O-CG2 3.38Å; L190-T194 PolarHBondContact O-N 3.33Å; L190-T194 PolarHBondContact O-OG1 2.98Å
191I93.2Very high91.3Very high105 Ų10579.6 Ų79.654%0.53844%0.435SS..Hα-helixtrans-64.8-45.3178.3-61.6165.8000111.2P187 S188 T189 F193 T194 I195P187-I191 PolarHBondContact O-N 2.98Å; S188-I191 PolarHBondContact O-N 3.5Å; T189-I191 VanDerWaalsContact C-N 3.28Å; T189-I191 PolarHBondContact O-N 3.03Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.48Å; I191-T194 PolarHBondContact O-N 2.85Å; I191-T194 PolarHBondContact O-OG1 2.89Å; I191-I195 HydrophobicContact CG2-CD1 4.3Å; I191-I195 WeakPolarHBondContact O-CG1 3.24Å; I191-I195 PolarHBondContact O-N 3.06Å; I191-I195 VanDerWaalsContact O-N 3.16Å
192I93.3Very high91.5Very high39 Ų3981.5 Ų81.520%0.245%0.446CS..Hα-helixtrans-70.1-33.6179.8-55.9166.4000110.3I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.81Å; T178-I192 HydrophobicContact CG2-CB 3.85Å; T178-I192 HydrophobicContact CG2-CG2 3.35Å; M181-I192 HydrophobicContact CB-CD1 4.3Å; M181-I192 HydrophobicContact CG-CD1 3.8Å; S188-I192 WeakPolarHBondContact O-CG1 3.25Å; S188-I192 PolarHBondContact O-N 3.42Å; S188-I192 VanDerWaalsContact O-N 3.11Å; T189-I192 PolarHBondContact O-N 2.96Å; I192-I195 WeakPolarHBondContact O-CB 2.99Å; I192-I195 PolarHBondContact O-N 3.17Å; I192-L196 PolarHBondContact O-N 2.82Å
193F92.9Very high91.6Very high110 Ų11078.9 Ų78.948%0.48243%0.426SS..Hα-helixtrans-67.2-39.2175.6-173.4-105.9000112.6T189 L190 I191 I195 L196 I197T189-F193 WeakPolarHBondContact O-CB 3.37Å; T189-F193 PolarHBondContact O-N 3.2Å; L190-F193 PolarHBondContact O-N 3.39Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.48Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.46Å; F193-L196 HydrophobicContact CD2-CD2 4.42Å; F193-L196 WeakPolarHBondContact O-CB 3.41Å; F193-L196 PolarHBondContact O-N 3.43Å; F193-I197 HydrophobicContact CD1-CD1 3.83Å; F193-I197 HydrophobicContact CE1-CD1 3.51Å; F193-I197 HydrophobicContact CE1-CG1 4.26Å; F193-I197 HydrophobicContact CZ-CD1 4.15Å; F193-I197 HydrophobicContact CZ-CG1 4.48Å; F193-I197 WeakPolarHBondContact O-CG1 3.33Å; F193-I197 PolarHBondContact O-N 3Å
194T93.6Very high91.8Very high77 Ų7777.2 Ų77.247%0.47241%0.412SS..Hα-helixtrans-64.7-37173.356.30000111.7L190 I191 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.38Å; L190-T194 PolarHBondContact O-N 3.33Å; L190-T194 PolarHBondContact O-OG1 2.98Å; I191-T194 PolarHBondContact O-N 2.85Å; I191-T194 PolarHBondContact O-OG1 2.89Å; T194-I197 PolarHBondContact O-N 2.72Å; T194-L198 PolarHBondContact O-N 3.43Å
195I94.4Very high91.9Very high84 Ų8474.3 Ų74.343%0.43140%0.404SS..Hα-helixtrans-62.2-42.6172.5-66.3166.1000111I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.27Å; I191-I195 HydrophobicContact CG2-CD1 4.3Å; I191-I195 WeakPolarHBondContact O-CG1 3.24Å; I191-I195 PolarHBondContact O-N 3.06Å; I191-I195 VanDerWaalsContact O-N 3.16Å; I192-I195 WeakPolarHBondContact O-CB 2.99Å; I192-I195 PolarHBondContact O-N 3.17Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.46Å; I195-I197 PolarHBondContact O-N 2.9Å; I195-L198 PolarHBondContact O-N 3.43Å; I195-L199 WeakPolarHBondContact O-CB 3.4Å; I195-L199 PolarHBondContact O-N 3.31Å
196L93.5Very high92.1Very high30 Ų3071.7 Ų71.716%0.15739%0.391CS..Hα-helixtrans-59.5-45.4176.3-177.867.3000111.5I174 I192 F193 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.18Å; I174-L196 HydrophobicContact CG2-CB 3.97Å; I174-L196 HydrophobicContact CG2-CD1 4.01Å; I192-L196 PolarHBondContact O-N 2.82Å; F193-L196 HydrophobicContact CD2-CD2 4.42Å; F193-L196 WeakPolarHBondContact O-CB 3.41Å; F193-L196 PolarHBondContact O-N 3.43Å; L196-L198 PolarHBondContact O-N 2.85Å; L196-L199 WeakPolarHBondContact O-CB 3.44Å; L196-L199 PolarHBondContact O-N 3.34Å; L196-T200 VanDerWaalsContact O-CG2 3.26Å; L196-T200 WeakPolarHBondContact O-CG2 3.49Å; L196-T200 PolarHBondContact O-N 3.25Å
197I92.9Very high92.1Very high77 Ų7765.2 Ų65.240%0.39536%0.358SS..Hα-helixtrans-59.9-48.3176.4-67.7165000110.5F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.83Å; F193-I197 HydrophobicContact CE1-CD1 3.51Å; F193-I197 HydrophobicContact CE1-CG1 4.26Å; F193-I197 HydrophobicContact CZ-CD1 4.15Å; F193-I197 HydrophobicContact CZ-CG1 4.48Å; F193-I197 WeakPolarHBondContact O-CG1 3.33Å; F193-I197 PolarHBondContact O-N 3Å; T194-I197 PolarHBondContact O-N 2.72Å; I195-I197 PolarHBondContact O-N 2.9Å; I197-L199 VanDerWaalsContact C-N 3.26Å; I197-L199 PolarHBondContact O-N 2.88Å; I197-T200 PolarHBondContact O-N 3.17Å; I197-T200 VanDerWaalsContact O-N 3.12Å; I197-T200 PolarHBondContact O-OG1 3.13Å; I197-I201 HydrophobicContact CG2-CD1 4.17Å; I197-I201 WeakPolarHBondContact O-CG1 3.43Å; I197-I201 PolarHBondContact O-N 3.16Å; I197-I201 VanDerWaalsContact O-N 3.15Å
198L94.8Very high92.1Very high119 Ų11966.5 Ų66.562%0.62336%0.359SS*.Hα-helixtrans-59.7-40.3179.2-175.964.7000111.7T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 3.43Å; I195-L198 PolarHBondContact O-N 3.43Å; L196-L198 PolarHBondContact O-N 2.85Å; L198-I201 PolarHBondContact O-N 3.48Å; L198-L202 PolarHBondContact O-N 3.04Å
199L93.3Very high92.3Very high18 Ų1869.3 Ų69.39%0.09437%0.37CS..Hα-helixtrans-62.6-42.7175.7178.265.9000111.9L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.17Å; L170-L199 HydrophobicContact CD2-CD1 3.4Å; L170-L199 HydrophobicContact CD2-CD2 3.46Å; L170-L199 VanDerWaalsContact CD2-CD2 3.46Å; L170-L199 HydrophobicContact CD2-CG 4.04Å; L170-L199 HydrophobicContact CG-CD2 3.97Å; M171-L199 HydrophobicContact CB-CD2 4.38Å; M171-L199 HydrophobicContact CG-CD2 3.61Å; M171-L199 HydrophobicContact CG-CG 4.1Å; I174-L199 HydrophobicContact CD1-CD2 3.89Å; I195-L199 WeakPolarHBondContact O-CB 3.4Å; I195-L199 PolarHBondContact O-N 3.31Å; L196-L199 WeakPolarHBondContact O-CB 3.44Å; L196-L199 PolarHBondContact O-N 3.34Å; I197-L199 VanDerWaalsContact C-N 3.26Å; I197-L199 PolarHBondContact O-N 2.88Å; L199-I201 VanDerWaalsContact C-N 3.28Å; L199-I201 PolarHBondContact O-N 2.96Å; L199-L202 HydrophobicContact CD1-CD2 4.36Å; L199-L202 WeakPolarHBondContact O-CB 3.46Å; L199-L202 PolarHBondContact O-N 3.36Å; L199-L202 VanDerWaalsContact O-N 3.17Å; L199-E203 PolarHBondContact O-N 2.9Å
200T91.3Very high92.1Very high52 Ų5268.9 Ų68.932%0.31937%0.367SS..Hα-helixtrans-61.8-37.9178.266.10000112M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.95Å; L196-T200 VanDerWaalsContact O-CG2 3.26Å; L196-T200 WeakPolarHBondContact O-CG2 3.49Å; L196-T200 PolarHBondContact O-N 3.25Å; I197-T200 PolarHBondContact O-N 3.17Å; I197-T200 VanDerWaalsContact O-N 3.12Å; I197-T200 PolarHBondContact O-OG1 3.13Å; T200-E203 PolarHBondContact O-N 2.88Å; T200-I204 VanDerWaalsContact O-CG1 3.3Å; T200-I204 WeakPolarHBondContact O-CG1 3.3Å; T200-I204 PolarHBondContact O-N 2.94Å
201I92.9Very high92Very high100 Ų10063.1 Ų63.151%0.51334%0.337SS..Hα-helixtrans-64.9-43.3175.6-64167.3000110.5I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.17Å; I197-I201 WeakPolarHBondContact O-CG1 3.43Å; I197-I201 PolarHBondContact O-N 3.16Å; I197-I201 VanDerWaalsContact O-N 3.15Å; L198-I201 PolarHBondContact O-N 3.48Å; L199-I201 VanDerWaalsContact C-N 3.28Å; L199-I201 PolarHBondContact O-N 2.96Å; I201-E203 VanDerWaalsContact C-N 3.32Å; I201-E203 PolarHBondContact O-N 3.01Å; I201-I204 PolarHBondContact O-N 3.23Å; I201-A205 PolarHBondContact O-N 2.91Å; I201-A205 VanDerWaalsContact O-N 3.16Å
202L91.9Very high91.9Very high102 Ų10263 Ų6353%0.53433%0.33SS..Hα-helixtrans-59.4-45.2175.7179.667.4000110.9L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 3.04Å; L199-L202 HydrophobicContact CD1-CD2 4.36Å; L199-L202 WeakPolarHBondContact O-CB 3.46Å; L199-L202 PolarHBondContact O-N 3.36Å; L199-L202 VanDerWaalsContact O-N 3.17Å; L202-I204 PolarHBondContact O-N 3.07Å; L202-A205 WeakPolarHBondContact O-CB 3.49Å; L202-A205 PolarHBondContact O-N 2.81Å; L202-A205 VanDerWaalsContact O-N 3.13Å; L202-V206 HydrophobicContact CD1-CG2 4.37Å; L202-V206 HydrophobicContact CG-CG2 4.34Å; L202-V206 WeakPolarHBondContact O-CG2 3.44Å; L202-V206 PolarHBondContact O-N 3.35Å
203E90.9Very high91.7Very high13 Ų1363.1 Ų63.16%0.06133%0.333CS..Hα-helixtrans-67-37-177-160.265-160.100112.2L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.42Å; L87-E203 HydrophobicContact CD2-CB 4.16Å; L87-E203 HydrophobicContact CD2-CG 3.4Å; G167-E203 WeakPolarHBondContact CA-OE2 3.37Å; M171-E203 HydrophobicContact CE-CG 4.16Å; L199-E203 PolarHBondContact O-N 2.9Å; T200-E203 PolarHBondContact O-N 2.88Å; I201-E203 VanDerWaalsContact C-N 3.32Å; I201-E203 PolarHBondContact O-N 3.01Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.49Å; E203-V206 PolarHBondContact O-N 2.93Å; E203-A207 VanDerWaalsContact O-CB 3.31Å; E203-A207 WeakPolarHBondContact O-CB 3.42Å; E203-A207 PolarHBondContact O-N 3.12Å
204I91Very high91.5Very high83 Ų8358 Ų5843%0.42631%0.31SS..Hα-helixtrans-59.6-43.2171.7-67.3164.6000110.6L84 L87 T200 I201 L202 L208L84-I204 HydrophobicContact CD1-CG2 4.17Å; L87-I204 HydrophobicContact CD1-CB 4.2Å; L87-I204 HydrophobicContact CD1-CG1 3.62Å; T200-I204 VanDerWaalsContact O-CG1 3.3Å; T200-I204 WeakPolarHBondContact O-CG1 3.3Å; T200-I204 PolarHBondContact O-N 2.94Å; I201-I204 PolarHBondContact O-N 3.23Å; L202-I204 PolarHBondContact O-N 3.07Å; I204-L208 PolarHBondContact O-N 3.34Å
205A91.9Very high91.3Very high46 Ų4654.3 Ų54.338%0.3829%0.288SS..Hα-helixtrans-65.3-45.8177.200000111.6I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 2.91Å; I201-A205 VanDerWaalsContact O-N 3.16Å; L202-A205 WeakPolarHBondContact O-CB 3.49Å; L202-A205 PolarHBondContact O-N 2.81Å; L202-A205 VanDerWaalsContact O-N 3.13Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.49Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 2.61Å; A205-L208 PolarHBondContact O-N 3.45Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.34Å; A205-I209 PolarHBondContact O-N 3.31Å
206V91.7Very high91Very high38 Ų3853.1 Ų53.123%0.2328%0.282CS..Hα-helixtrans-61.1-42.5178.2172.90000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.04Å; L202-V206 HydrophobicContact CD1-CG2 4.37Å; L202-V206 HydrophobicContact CG-CG2 4.34Å; L202-V206 WeakPolarHBondContact O-CG2 3.44Å; L202-V206 PolarHBondContact O-N 3.35Å; E203-V206 PolarHBondContact O-N 2.93Å; V206-L208 VanDerWaalsContact C-N 3.31Å; V206-L208 PolarHBondContact O-N 3.35Å; V206-I209 PolarHBondContact O-N 3.45Å; V206-Q210 WeakPolarHBondContact O-CB 3.41Å; V206-Q210 PolarHBondContact O-N 2.89Å
207A89.3Confident90.6Very high5 Ų553.5 Ų53.54%0.04128%0.284CS..Hα-helixtrans-57.1-41.8178.300000112.9N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.9Å; N83-A207 PolarHBondContact ND2-O 2.96Å; L87-A207 HydrophobicContact CD1-CB 4.08Å; E203-A207 VanDerWaalsContact O-CB 3.31Å; E203-A207 WeakPolarHBondContact O-CB 3.42Å; E203-A207 PolarHBondContact O-N 3.12Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 2.61Å; A207-A211 PolarHBondContact O-N 3.31Å
208L89.5Confident90.3Very high121 Ų12150 Ų5063%0.63427%0.266SS*.Hα-helixtrans-76.2-44.5179.3-168.9149.2000112I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 3.34Å; A205-L208 PolarHBondContact O-N 3.45Å; V206-L208 VanDerWaalsContact C-N 3.31Å; V206-L208 PolarHBondContact O-N 3.35Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 2.69Å; L208-A211 PolarHBondContact O-N 2.95Å; L208-Y212 PolarHBondContact O-N 3.04Å
209I91.1Very high89.9Confident96 Ų9644.8 Ų44.849%0.49224%0.24SC..Hα-helixtrans-60.3-40.3177.5-68.7166.7000110.3A205 V206 A211 Y212 V213A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.34Å; A205-I209 PolarHBondContact O-N 3.31Å; V206-I209 PolarHBondContact O-N 3.45Å; I209-A211 PolarHBondContact O-N 3.47Å; I209-Y212 WeakPolarHBondContact O-CB 3.47Å; I209-Y212 PolarHBondContact O-N 2.99Å; I209-V213 HydrophobicContact CG2-CG2 4.06Å; I209-V213 WeakPolarHBondContact O-CG2 3.37Å; I209-V213 PolarHBondContact O-N 3.5Å
210Q89.3Confident89.5Confident10 Ų1047.6 Ų47.65%0.04726%0.255CS..Hα-helixtrans-66.5-37.8-177.8-173.262.38.300112.2R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.27Å; R159-Q210 VanDerWaalsContact CG-NE2 3.32Å; L160-Q210 HydrophobicContact CB-CG 4.13Å; L160-Q210 HydrophobicContact CD1-CG 3.67Å; L160-Q210 HydrophobicContact CG-CG 3.75Å; V206-Q210 WeakPolarHBondContact O-CB 3.41Å; V206-Q210 PolarHBondContact O-N 2.89Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 2.69Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Q210-F214 VanDerWaalsContact O-CB 3.31Å; Q210-F214 WeakPolarHBondContact O-CB 3.36Å; Q210-F214 PolarHBondContact O-N 3Å
211A89.9Confident88.9Confident1 Ų146 Ų461%0.00824%0.243CC..Hα-helixtrans-63-40.6172.600000111.8I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.42Å; I79-A211 HydrophobicContact CB-CB 4.05Å; I79-A211 HydrophobicContact CG2-CB 3.74Å; A80-A211 HydrophobicContact CB-CB 3.92Å; A207-A211 PolarHBondContact O-N 3.31Å; L208-A211 PolarHBondContact O-N 2.95Å; I209-A211 PolarHBondContact O-N 3.47Å; A211-T215 WeakPolarHBondContact O-CG2 3.31Å; A211-T215 PolarHBondContact O-N 3.35Å; A211-T215 PolarHBondContact O-OG1 3.32Å
212Y89.8Confident88.4Confident101 Ų10141.3 Ų41.340%0.39622%0.219SC..Hα-helixtrans-66-48.8176.4177.1-101.1000112.4M57 I76 L208 I209 Q210 F214 T215 L216M57-Y212 HydrophobicContact CE-CD2 4.43Å; I76-Y212 HydrophobicContact CD1-CD2 4.19Å; L208-Y212 PolarHBondContact O-N 3.04Å; I209-Y212 WeakPolarHBondContact O-CB 3.47Å; I209-Y212 PolarHBondContact O-N 2.99Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Y212-F214 VanDerWaalsContact C-N 3.3Å; Y212-F214 PolarHBondContact O-N 3.22Å; Y212-T215 PolarHBondContact O-N 3.28Å; Y212-T215 PolarHBondContact O-OG1 3.15Å; Y212-L216 HydrophobicContact CE1-CD1 3.63Å; Y212-L216 HydrophobicContact CE2-CD1 4.46Å; Y212-L216 VanDerWaalsContact O-CB 3.27Å; Y212-L216 WeakPolarHBondContact O-CB 3.42Å; Y212-L216 PolarHBondContact O-N 3.28Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.42Å
213V90.1Very high87.9Confident43 Ų4340.4 Ų40.426%0.26121%0.212SC..Hα-helixtrans-63.1-37.9179.3172.60000111.3I209 L217I209-V213 HydrophobicContact CG2-CG2 4.06Å; I209-V213 WeakPolarHBondContact O-CG2 3.37Å; I209-V213 PolarHBondContact O-N 3.5Å; V213-L217 HydrophobicContact CG1-CD1 3.88Å; V213-L217 WeakPolarHBondContact O-CG 3.42Å; V213-L217 PolarHBondContact O-N 3.12Å; V213-L217 VanDerWaalsContact O-N 3.07Å
214F87.7Confident87.3Confident1 Ų143.3 Ų43.30%0.00423%0.228CC..Hα-helixtrans-57.7-53176-172.2-81.7000111.4L75 I79 A105 L108 L156 L160 Q210 Y212 V218L75-F214 HydrophobicContact CD1-CE1 4.12Å; L75-F214 HydrophobicContact CD2-CD1 3.87Å; L75-F214 HydrophobicContact CD2-CE1 3.78Å; L75-F214 HydrophobicContact CG-CD1 4.32Å; L75-F214 HydrophobicContact CG-CE1 4.22Å; I79-F214 HydrophobicContact CD1-CB 4.27Å; I79-F214 HydrophobicContact CD1-CD1 3.35Å; I79-F214 HydrophobicContact CD1-CD2 4.39Å; I79-F214 HydrophobicContact CD1-CE1 3.7Å; I79-F214 HydrophobicContact CD1-CG 3.76Å; I79-F214 HydrophobicContact CD1-CZ 4.36Å; A105-F214 HydrophobicContact CB-CE2 4.32Å; A105-F214 HydrophobicContact CB-CZ 4.12Å; L108-F214 HydrophobicContact CD1-CE1 4.18Å; L156-F214 HydrophobicContact CD1-CD2 4.25Å; L156-F214 HydrophobicContact CD2-CD1 4.17Å; L156-F214 HydrophobicContact CD2-CD2 3.31Å; L156-F214 HydrophobicContact CD2-CE1 4.04Å; L156-F214 HydrophobicContact CD2-CE2 3.16Å; L156-F214 HydrophobicContact CD2-CG 3.82Å; L156-F214 HydrophobicContact CD2-CZ 3.56Å; L156-F214 HydrophobicContact CG-CD2 3.44Å; L156-F214 VanDerWaalsContact CG-CD2 3.44Å; L156-F214 HydrophobicContact CG-CE2 3.63Å; L156-F214 HydrophobicContact CG-CG 4.18Å; L156-F214 HydrophobicContact CG-CZ 4.49Å; L160-F214 HydrophobicContact CD1-CB 4.5Å; L160-F214 HydrophobicContact CD1-CD2 4.11Å; Q210-F214 VanDerWaalsContact O-CB 3.31Å; Q210-F214 WeakPolarHBondContact O-CB 3.36Å; Q210-F214 PolarHBondContact O-N 3Å; Y212-F214 VanDerWaalsContact C-N 3.3Å; Y212-F214 PolarHBondContact O-N 3.22Å; F214-V218 HydrophobicContact CD1-CG2 4.45Å; F214-V218 HydrophobicContact CE1-CG2 4.26Å; F214-V218 WeakPolarHBondContact O-CG2 3.26Å; F214-V218 PolarHBondContact O-N 2.89Å
215T89.1Confident86.5Confident0 Ų040.8 Ų40.80%022%0.215CC..Hα-helixtrans-71.9-35.5-176.8520000112.8M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.4Å; L75-T215 HydrophobicContact CB-CG2 4.11Å; L75-T215 HydrophobicContact CD2-CG2 3.52Å; L75-T215 HydrophobicContact CG-CG2 3.77Å; I76-T215 HydrophobicContact CB-CG2 3.53Å; I76-T215 HydrophobicContact CG1-CG2 4.19Å; A211-T215 WeakPolarHBondContact O-CG2 3.31Å; A211-T215 PolarHBondContact O-N 3.35Å; A211-T215 PolarHBondContact O-OG1 3.32Å; Y212-T215 PolarHBondContact O-N 3.28Å; Y212-T215 PolarHBondContact O-OG1 3.15Å; T215-V218 PolarHBondContact O-N 3.34Å; T215-S219 WeakPolarHBondContact O-CB 3.18Å; T215-S219 PolarHBondContact O-N 3.18Å
216L88.3Confident85.4Confident60 Ų6039.9 Ų39.931%0.31421%0.205SC..Hα-helixtrans-62.2-45174.9-175.2149.1000111.6Y212 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.63Å; Y212-L216 HydrophobicContact CE2-CD1 4.46Å; Y212-L216 VanDerWaalsContact O-CB 3.27Å; Y212-L216 WeakPolarHBondContact O-CB 3.42Å; Y212-L216 PolarHBondContact O-N 3.28Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.42Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.33Å; L216-S219 PolarHBondContact O-N 3.43Å; L216-S219 VanDerWaalsContact O-N 3.15Å; L216-S219 PolarHBondContact O-OG 2.61Å; L216-L220 PolarHBondContact O-N 3.25Å
217L86.4Confident85.1Confident37 Ų3740 Ų4019%0.19420%0.204CC..Hα-helixtrans-63.6-42.6178-77.8165.7000111.8L156 V213 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 3.9Å; L156-L217 HydrophobicContact CD1-CD1 3.34Å; L156-L217 HydrophobicContact CD1-CG 4.25Å; V213-L217 HydrophobicContact CG1-CD1 3.88Å; V213-L217 WeakPolarHBondContact O-CG 3.42Å; V213-L217 PolarHBondContact O-N 3.12Å; V213-L217 VanDerWaalsContact O-N 3.07Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.09Å; L217-L220 PolarHBondContact O-N 3.14Å; L217-Y221 HydrophobicContact CB-CE2 4.18Å; L217-Y221 WeakPolarHBondContact O-CD2 3.43Å; L217-Y221 WeakPolarHBondContact O-CE2 3.5Å; L217-Y221 PolarHBondContact O-N 3.43Å
218V85.9Confident84.8Confident4 Ų441.8 Ų41.82%0.02421%0.212CC..Hα-helixtrans-59.6-41173177.10000111.2L72 L108 L156 F214 T215 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.28Å; L72-V218 HydrophobicContact CD2-CG1 3.89Å; L108-V218 HydrophobicContact CB-CG1 4.35Å; L156-V218 HydrophobicContact CD2-CG2 4.31Å; F214-V218 HydrophobicContact CD1-CG2 4.45Å; F214-V218 HydrophobicContact CE1-CG2 4.26Å; F214-V218 WeakPolarHBondContact O-CG2 3.26Å; F214-V218 PolarHBondContact O-N 2.89Å; T215-V218 PolarHBondContact O-N 3.34Å; V218-Y221 PolarHBondContact O-N 2.84Å; V218-L222 PolarHBondContact O-N 3Å
219S86.6Confident84.6Confident10 Ų1037.4 Ų37.47%0.0719%0.189CC..Hα-helixtrans-66.1-38.1177.186.10000112.2H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact NE2-O 2.98Å; T215-S219 WeakPolarHBondContact O-CB 3.18Å; T215-S219 PolarHBondContact O-N 3.18Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.33Å; L216-S219 PolarHBondContact O-N 3.43Å; L216-S219 VanDerWaalsContact O-N 3.15Å; L216-S219 PolarHBondContact O-OG 2.61Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.09Å; S219-L222 WeakPolarHBondContact O-CB 3.5Å; S219-L222 PolarHBondContact O-N 3.39Å; S219-H223 PolarHBondContact O-N 3.33Å
220L84.4Confident84.2Confident77 Ų7734 Ų3440%0.40317%0.171SC..Hα-helixtrans-66-41.9176.8-170.8148.1000110.9L216 L217 L222 H223 D224L216-L220 PolarHBondContact O-N 3.25Å; L217-L220 PolarHBondContact O-N 3.14Å; L220-L222 VanDerWaalsContact C-N 3.26Å; L220-L222 PolarHBondContact O-N 2.93Å; L220-H223 WeakPolarHBondContact O-CA 3.13Å; L220-H223 WeakPolarHBondContact O-CB 3.47Å; L220-H223 PolarHBondContact O-N 3.42Å; L220-H223 VanDerWaalsContact O-N 3.08Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.2Å; L220-D224 PolarHBondContact O-N 3.47Å
221Y80.1Confident83.9Confident18 Ų1835.5 Ų35.57%0.07118%0.179CC..Hα-helixtrans-60.9-38172.6-61.2-48.9000112.5Q152 L217 V218 H223 N225Q152-Y221 WeakPolarHBondContact CB-OH 3.37Å; Q152-Y221 HydrophobicContact CG-CE1 4.37Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.33Å; Q152-Y221 PolarHBondContact NE2-OH 2.84Å; Q152-Y221 PolarHBondContact OE1-OH 3.47Å; L217-Y221 HydrophobicContact CB-CE2 4.18Å; L217-Y221 WeakPolarHBondContact O-CD2 3.43Å; L217-Y221 WeakPolarHBondContact O-CE2 3.5Å; L217-Y221 PolarHBondContact O-N 3.43Å; V218-Y221 PolarHBondContact O-N 2.84Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; Y221-N225 VanDerWaalsContact O-CB 3.3Å; Y221-N225 WeakPolarHBondContact O-CB 3.35Å; Y221-N225 PolarHBondContact O-N 3.38Å; Y221-N225 VanDerWaalsContact O-N 3.11Å; Y221-N225 PolarHBondContact O-ND2 3.11Å
222L82.1Confident83.5Confident1 Ų137.8 Ų37.81%0.00519%0.19CC..Hα-helixtrans-65.4-40175.7-16676.9000110.9W68 A112 M115 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.54Å; W68-L222 HydrophobicContact CD2-CD1 3.55Å; W68-L222 HydrophobicContact CD2-CD2 4.01Å; W68-L222 HydrophobicContact CD2-CG 4.45Å; W68-L222 HydrophobicContact CE3-CD1 3.63Å; W68-L222 HydrophobicContact CE3-CD2 4.22Å; W68-L222 HydrophobicContact CG-CD1 4Å; W68-L222 HydrophobicContact CG-CD2 3.67Å; W68-L222 HydrophobicContact CH2-CD1 4.41Å; W68-L222 HydrophobicContact CZ2-CD1 4.29Å; W68-L222 HydrophobicContact CZ3-CD1 4.06Å; A112-L222 HydrophobicContact CB-CD1 4.39Å; M115-L222 HydrophobicContact SD-CD1 4.24Å; V218-L222 PolarHBondContact O-N 3Å; S219-L222 WeakPolarHBondContact O-CB 3.5Å; S219-L222 PolarHBondContact O-N 3.39Å; L220-L222 VanDerWaalsContact C-N 3.26Å; L220-L222 PolarHBondContact O-N 2.93Å; L222-N225 PolarHBondContact O-N 3.36Å; L222-T226 HydrophobicContact CD1-CG2 4.5Å; L222-T226 HydrophobicContact CG-CG2 4.28Å; L222-T226 WeakPolarHBondContact O-CB 3.5Å; L222-T226 WeakPolarHBondContact O-CG2 3.13Å; L222-T226 PolarHBondContact O-N 3.47Å; L222-T226 VanDerWaalsContact O-N 3.11Å; L222-T226 PolarHBondContact O-OG1 3.21Å
223H81.6Confident83Confident84 Ų8433.3 Ų33.339%0.38918%0.175SC..Hα-helixtrans-60.9-50.5175.6-174.984000111.7M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 3.01Å; M60-H223 PolarHBondContact O-ND1 2.97Å; S219-H223 PolarHBondContact O-N 3.33Å; L220-H223 WeakPolarHBondContact O-CA 3.13Å; L220-H223 WeakPolarHBondContact O-CB 3.47Å; L220-H223 PolarHBondContact O-N 3.42Å; L220-H223 VanDerWaalsContact O-N 3.08Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; H223-N225 PolarHBondContact O-N 3.16Å; H223-T226 PolarHBondContact O-N 2.8Å; H223-T226 PolarHBondContact O-OG1 3.44Å
224D77.8Confident82.5Confident74 Ų7432.5 Ų32.540%0.39617%0.169SC..Hα-helixtrans-62.5-31.2-179.1-64.6-17000112.4L220L220-D224 WeakPolarHBondContact CD2-OD2 3.2Å; L220-D224 PolarHBondContact O-N 3.47Å
225N73.5Confident82.1Confident30 Ų3035.2 Ų35.216%0.1618%0.183CC..THydrogen-bonded Turntrans-91.4-1.6-179.6-73.9-68.3000114.6G116 S119 Y221 L222 H223G116-N225 WeakPolarHBondContact CA-O 3.36Å; S119-N225 PolarHBondContact OG-O 3.42Å; Y221-N225 VanDerWaalsContact O-CB 3.3Å; Y221-N225 WeakPolarHBondContact O-CB 3.35Å; Y221-N225 PolarHBondContact O-N 3.38Å; Y221-N225 VanDerWaalsContact O-N 3.11Å; Y221-N225 PolarHBondContact O-ND2 3.11Å; L222-N225 PolarHBondContact O-N 3.36Å; H223-N225 PolarHBondContact O-N 3.16Å
226T68.9Low81.4Confident27 Ų2738.4 Ų38.417%0.16620%0.199CC..  trans-1080-178.251.30000115.1M115 K120 L222 H223M115-T226 HydrophobicContact CE-CG2 4.27Å; K120-T226 WeakPolarHBondContact CE-O 3.15Å; K120-T226 PolarHBondContact NZ-O 3.31Å; K120-T226 PolarHBondContact NZ-OXT 3.42Å; L222-T226 HydrophobicContact CD1-CG2 4.5Å; L222-T226 HydrophobicContact CG-CG2 4.28Å; L222-T226 WeakPolarHBondContact O-CB 3.5Å; L222-T226 WeakPolarHBondContact O-CG2 3.13Å; L222-T226 PolarHBondContact O-N 3.47Å; L222-T226 VanDerWaalsContact O-N 3.11Å; L222-T226 PolarHBondContact O-OG1 3.21Å; H223-T226 PolarHBondContact O-N 2.8Å; H223-T226 PolarHBondContact O-OG1 3.44Å

Retrieved 226 of 226 residues in 173.8 ms (Link to these results)