A0A023I7V4_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A023I7V4, 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
1M54.6Low73.3Confident203 Ų20398.5 Ų98.5100%153%0.531SS*.  0-40.80-80.6177.4132.900112.8E3 N4M1-E3 PolarHBondContact O-N 3.44Å; M1-N4 PolarHBondContact O-N 3.13Å
2N52.5Low74Confident141 Ų14193.8 Ų93.875%0.75451%0.51SS*.Hα-helixtrans-58.9-38.5-178.2-89.818.1000115.5
3E59.5Low74.9Confident161 Ų16194.5 Ų94.575%0.75252%0.518SS*.Hα-helixtrans-77.5-21.7-177.6-62.8-125.9148.700113.6M1 L5 F6 A7M1-E3 PolarHBondContact O-N 3.44Å; E3-L5 VanDerWaalsContact C-N 3.28Å; E3-L5 PolarHBondContact O-N 3.34Å; E3-F6 PolarHBondContact O-N 3.34Å; E3-A7 PolarHBondContact O-N 3.28Å; E3-A7 VanDerWaalsContact O-N 3.12Å
4N74.9Confident75.8Confident114 Ų11495.6 Ų95.661%0.6152%0.522SS*.Hα-helixtrans-69.8-28.4-174.9-65.27.4000112.1M1M1-N4 PolarHBondContact O-N 3.13Å
5L75.6Confident76.3Confident45 Ų45100.7 Ų100.724%0.23655%0.547CS..Hα-helixtrans-69.2-36.1178.3-70.7173.2000112.2E3 H172 L173E3-L5 VanDerWaalsContact C-N 3.28Å; E3-L5 PolarHBondContact O-N 3.34Å; L5-H172 VanDerWaalsContact CD2-CE1 3.48Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.29Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.4Å; L5-L173 HydrophobicContact CD1-CD2 4.19Å; L5-L173 HydrophobicContact CD2-CD2 4.21Å
6F81.7Confident76.7Confident117 Ų11798.8 Ų98.851%0.51356%0.558SS.*Hα-helixtrans-93.7-9.3-176.9-66.5-76.2000113.6E3 S8 F9 L169E3-F6 PolarHBondContact O-N 3.34Å; F6-S8 PolarHBondContact O-N 3.01Å; F6-S8 VanDerWaalsContact O-N 3.13Å; F6-F9 AromaticContact CD1-CD2 3.99Å; F6-F9 HydrophobicContact CD1-CD2 3.99Å; F6-F9 HydrophobicContact CD1-CE2 4.36Å; F6-F9 PolarHBondContact O-N 3.39Å; F6-L169 HydrophobicContact CD1-CD2 4.43Å; F6-L169 HydrophobicContact CE1-CD1 4.14Å; F6-L169 HydrophobicContact CE1-CD2 4.07Å; F6-L169 HydrophobicContact CZ-CD2 4.48Å
7A79.5Confident77.1Confident55 Ų55100.4 Ų100.446%0.45556%0.564SS.*G310 helixtrans-55.1-32.318000000113.2E3 F9 I10E3-A7 PolarHBondContact O-N 3.28Å; E3-A7 VanDerWaalsContact O-N 3.12Å; A7-F9 VanDerWaalsContact C-N 3.28Å; A7-F9 PolarHBondContact O-N 2.94Å; A7-I10 PolarHBondContact O-N 2.98Å
8S78.9Confident77.5Confident60 Ų6099.1 Ų99.142%0.4256%0.56SS.*G310 helixtrans-68.9-21.8176.856.40000114.1F6F6-S8 PolarHBondContact O-N 3.01Å; F6-S8 VanDerWaalsContact O-N 3.13Å
9F81.9Confident77.8Confident24 Ų2494.8 Ų94.811%0.10554%0.539CS..G310 helixtrans-92.4-11.7179-58.6-68.8000112.9F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 AromaticContact CD1-CD2 3.99Å; F6-F9 HydrophobicContact CD1-CD2 3.99Å; F6-F9 HydrophobicContact CD1-CE2 4.36Å; F6-F9 PolarHBondContact O-N 3.39Å; A7-F9 VanDerWaalsContact C-N 3.28Å; A7-F9 PolarHBondContact O-N 2.94Å; F9-A11 PolarHBondContact O-N 2.81Å; F9-T96 HydrophobicContact CD1-CG2 3.83Å; F9-T96 HydrophobicContact CE1-CG2 3.72Å; F9-Q97 PolarHBondContact O-NE2 3.35Å; F9-T165 HydrophobicContact CD1-CG2 4.49Å; F9-T165 HydrophobicContact CE1-CG2 4.2Å; F9-H168 HydrophobicContact CE1-CB 4.07Å; F9-H168 HydrophobicContact CZ-CB 3.81Å; F9-L169 HydrophobicContact CE2-CD1 4.46Å; F9-L169 HydrophobicContact CE2-CD2 3.68Å; F9-L169 HydrophobicContact CE2-CG 3.76Å; F9-L169 HydrophobicContact CZ-CD2 4.31Å; F9-L169 HydrophobicContact CZ-CG 3.93Å
10I84.2Confident78.2Confident114 Ų11491 Ų9159%0.58552%0.52SS*.SBendtrans-68.6128.9178.8-59.1175.3000108.5A7 P12A7-I10 PolarHBondContact O-N 2.98Å; I10-P12 WeakPolarHBondContact O-CD 3.4Å
11A82.6Confident78.5Confident50 Ų5090.5 Ų90.541%0.41352%0.518SS..PPolyproline II helixtrans-58.7120.8179.700000110.1F9 T13 F92F9-A11 PolarHBondContact O-N 2.81Å; A11-T13 PolarHBondContact O-N 3.05Å; A11-F92 HydrophobicContact CB-CZ 4.39Å
12P82.2Confident79.9Confident42 Ų4287.2 Ų87.227%0.27350%0.504SS..PPolyproline II helixtrans-70.3128.8-174.427.1-33.7000109.9I10 A19 F92I10-P12 WeakPolarHBondContact O-CD 3.4Å; P12-A19 HydrophobicContact CB-CB 4.15Å; P12-A19 HydrophobicContact CG-CB 4.18Å; P12-A19 WeakPolarHBondContact O-CB 3.44Å; P12-A19 PolarHBondContact O-N 2.94Å; P12-F92 HydrophobicContact CG-CB 4.31Å; P12-F92 HydrophobicContact CG-CD1 4.09Å; P12-F92 HydrophobicContact CG-CD2 4.46Å; P12-F92 HydrophobicContact CG-CG 4.02Å
13T86.1Confident81.5Confident102 Ų10282.3 Ų82.363%0.62648%0.479SS*.EExtended strand (participates in β ladder)trans-116.7122.9169.953.40000108.5A11 L17A11-T13 PolarHBondContact O-N 3.05Å; T13-L17 CarbonylContact C-O 3.57Å; T13-L17 VanDerWaalsContact CA-O 3.29Å; T13-L17 WeakPolarHBondContact CA-O 3.4Å
14I86.4Confident82.8Confident110 Ų11077 Ų7756%0.56446%0.455SS*.EExtended strand (participates in β ladder)trans-109121.6176-63.8172.3000106.3G16 L17 A19I14-G16 PolarHBondContact O-N 3.42Å; I14-G16 VanDerWaalsContact O-N 3.12Å; I14-L17 PolarHBondContact N-O 3.25Å; I14-L17 PolarHBondContact O-N 2.77Å; I14-A19 HydrophobicContact CB-CB 4.46Å; I14-A19 HydrophobicContact CD1-CB 3.84Å; I14-A19 HydrophobicContact CG1-CB 3.92Å
15L84.1Confident83.4Confident173 Ų17377.2 Ų77.291%0.90646%0.456SS*.THydrogen-bonded Turntrans54.131.8179.2-72.8147.8000113.7L17L15-L17 VanDerWaalsContact C-N 3.27Å; L15-L17 PolarHBondContact O-N 3.21Å
16G82.6Confident83.9Confident70 Ų7079.5 Ų79.572%0.72246%0.464SS*.THydrogen-bonded Turntrans80.5-3.1-177.600000115.3I14I14-G16 PolarHBondContact O-N 3.42Å; I14-G16 VanDerWaalsContact O-N 3.12Å
17L83.4Confident84.2Confident125 Ų12574 Ų7465%0.65444%0.44SS*.EExtended strand (participates in β ladder)trans-92139.9172.5-67.6168.1000110.9T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.57Å; T13-L17 VanDerWaalsContact CA-O 3.29Å; T13-L17 WeakPolarHBondContact CA-O 3.4Å; I14-L17 PolarHBondContact N-O 3.25Å; I14-L17 PolarHBondContact O-N 2.77Å; L15-L17 VanDerWaalsContact C-N 3.27Å; L15-L17 PolarHBondContact O-N 3.21Å; L17-A19 PolarHBondContact O-N 3.02Å
18P84.1Confident84.5Confident77 Ų7774.8 Ų74.850%0.544%0.44SS..EExtended strand (participates in β ladder)trans-70.8102.3177.729-33.1000110.4A20 V21P18-A20 PolarHBondContact O-N 3.45Å; P18-V21 HydrophobicContact CG-CG2 4.22Å; P18-V21 PolarHBondContact O-N 3.39Å
19A84.3Confident84.9Confident18 Ų1878.4 Ų78.415%0.14945%0.454CS..THydrogen-bonded Turntrans-69.1-14.5176.600000112.4P12 I14 L17 V21 L22 T23P12-A19 HydrophobicContact CB-CB 4.15Å; P12-A19 HydrophobicContact CG-CB 4.18Å; P12-A19 WeakPolarHBondContact O-CB 3.44Å; P12-A19 PolarHBondContact O-N 2.94Å; I14-A19 HydrophobicContact CB-CB 4.46Å; I14-A19 HydrophobicContact CD1-CB 3.84Å; I14-A19 HydrophobicContact CG1-CB 3.92Å; L17-A19 PolarHBondContact O-N 3.02Å; A19-V21 PolarHBondContact O-N 3.15Å; A19-L22 WeakPolarHBondContact O-CB 2.92Å; A19-L22 PolarHBondContact O-N 3.38Å; A19-T23 PolarHBondContact O-N 3.32Å
20A84.6Confident85.1Confident19 Ų1981 Ų8116%0.15747%0.469CS..Hα-helixtrans-53.1-35.8171.600000112.7P18 L22 T23 I24 F92P18-A20 PolarHBondContact O-N 3.45Å; A20-L22 VanDerWaalsContact C-N 3.3Å; A20-L22 PolarHBondContact O-N 3.37Å; A20-T23 WeakPolarHBondContact CA-OG1 3.3Å; A20-T23 PolarHBondContact O-N 3.26Å; A20-T23 PolarHBondContact O-OG1 3.06Å; A20-I24 VanDerWaalsContact O-CG1 3.31Å; A20-I24 WeakPolarHBondContact O-CG1 3.25Å; A20-I24 PolarHBondContact O-N 3.47Å; A20-F92 HydrophobicContact CB-CE1 4.2Å
21V84.5Confident85.3Confident81 Ų8178 Ų7849%0.49145%0.454SS..Hα-helixtrans-61.8-41.2178.1-1800000111.1P18 A19 T23 I24 L25P18-V21 HydrophobicContact CG-CG2 4.22Å; P18-V21 PolarHBondContact O-N 3.39Å; A19-V21 PolarHBondContact O-N 3.15Å; V21-T23 VanDerWaalsContact C-N 3.34Å; V21-T23 PolarHBondContact O-N 3.48Å; V21-I24 PolarHBondContact O-N 3.19Å; V21-L25 HydrophobicContact CG1-CD1 4.1Å; V21-L25 WeakPolarHBondContact O-CG 3.25Å; V21-L25 PolarHBondContact O-N 3.32Å; V21-L25 VanDerWaalsContact O-N 3.11Å
22L85.1Confident85.6Confident133 Ų13378.1 Ų78.170%0.69645%0.45SS*.Hα-helixtrans-64.6-41.3177.9-166114.8000111.1A19 A20 I24 L25 F26A19-L22 WeakPolarHBondContact O-CB 2.92Å; A19-L22 PolarHBondContact O-N 3.38Å; A20-L22 VanDerWaalsContact C-N 3.3Å; A20-L22 PolarHBondContact O-N 3.37Å; L22-I24 VanDerWaalsContact C-N 3.33Å; L22-I24 PolarHBondContact O-N 3.25Å; L22-L25 PolarHBondContact O-N 3.14Å; L22-F26 PolarHBondContact O-N 2.91Å
23T85.3Confident85.8Confident38 Ų3882.5 Ų82.523%0.23348%0.476CS..Hα-helixtrans-65.2-35.5177.364.40000112.5A19 A20 V21 F26 P27 F92A19-T23 PolarHBondContact O-N 3.32Å; A20-T23 WeakPolarHBondContact CA-OG1 3.3Å; A20-T23 PolarHBondContact O-N 3.26Å; A20-T23 PolarHBondContact O-OG1 3.06Å; V21-T23 VanDerWaalsContact C-N 3.34Å; V21-T23 PolarHBondContact O-N 3.48Å; T23-F26 PolarHBondContact O-N 3.05Å; T23-P27 VanDerWaalsContact O-CD 3.29Å; T23-P27 WeakPolarHBondContact O-CD 3.29Å; T23-F92 HydrophobicContact CG2-CD1 4.36Å
24I87.3Confident85.9Confident50 Ų5079.5 Ų79.526%0.25646%0.459SS..Hα-helixtrans-70.6-33177.6-67.9164.5000111.5A20 V21 L22 F26 P27 F78 P94 M100A20-I24 VanDerWaalsContact O-CG1 3.31Å; A20-I24 WeakPolarHBondContact O-CG1 3.25Å; A20-I24 PolarHBondContact O-N 3.47Å; V21-I24 PolarHBondContact O-N 3.19Å; L22-I24 VanDerWaalsContact C-N 3.33Å; L22-I24 PolarHBondContact O-N 3.25Å; I24-F26 VanDerWaalsContact C-N 3.35Å; I24-P27 WeakPolarHBondContact O-CD 3.5Å; I24-F78 HydrophobicContact CG2-CZ 4.35Å; I24-P94 HydrophobicContact CD1-CB 4.27Å; I24-P94 HydrophobicContact CG1-CB 3.67Å; I24-P94 HydrophobicContact CG1-CG 3.99Å; I24-M100 HydrophobicContact CD1-SD 4.27Å; I24-M100 HydrophobicContact CG2-CE 4.26Å
25L86.5Confident85.9Confident118 Ų11884.4 Ų84.462%0.61848%0.476SS*.Hα-helixtrans-81.5-12.1179.4-70.5173.4000113.9V21 L22 P28V21-L25 HydrophobicContact CG1-CD1 4.1Å; V21-L25 WeakPolarHBondContact O-CG 3.25Å; V21-L25 PolarHBondContact O-N 3.32Å; V21-L25 VanDerWaalsContact O-N 3.11Å; L22-L25 PolarHBondContact O-N 3.14Å; L25-P28 WeakPolarHBondContact O-CD 3.02Å
26F87.5Confident86Confident94 Ų9485 Ų8541%0.41247%0.468SS..Hα-helixtrans-69.5-44.6-177.3-168.2-94000115L22 T23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 2.91Å; T23-F26 PolarHBondContact O-N 3.05Å; I24-F26 VanDerWaalsContact C-N 3.35Å; F26-L29 VanDerWaalsContact O-CB 3.32Å; F26-L29 WeakPolarHBondContact O-CB 3.43Å; F26-L29 PolarHBondContact O-N 3.49Å; F26-L30 HydrophobicContact CD1-CD1 4.13Å; F26-L30 HydrophobicContact CD1-CG 4.39Å; F26-L30 HydrophobicContact CE1-CD1 3.94Å; F26-L30 HydrophobicContact CE1-CD2 4.05Å; F26-L30 HydrophobicContact CE1-CG 4.11Å; F26-L30 HydrophobicContact CZ-CD2 4.43Å; F26-L85 HydrophobicContact CD1-CD1 4.28Å; F26-L85 HydrophobicContact CD1-CD2 3.38Å; F26-L85 HydrophobicContact CD1-CG 4.45Å; F26-L85 HydrophobicContact CE1-CD1 4.16Å; F26-L85 HydrophobicContact CE1-CD2 3.77Å; F26-L85 HydrophobicContact CG-CD2 4.41Å
27P88Confident85.8Confident2 Ų290.2 Ų90.21%0.01348%0.479CS..Hα-helixtrans-56.9-42.4-179.1-12.216.3000115.1T23 I24 L29 L30 T81 T82T23-P27 VanDerWaalsContact O-CD 3.29Å; T23-P27 WeakPolarHBondContact O-CD 3.29Å; I24-P27 WeakPolarHBondContact O-CD 3.5Å; P27-L29 PolarHBondContact O-N 3.27Å; P27-L30 WeakPolarHBondContact O-CB 3.46Å; P27-L30 PolarHBondContact O-N 3.31Å; P27-L30 VanDerWaalsContact O-N 3.11Å; P27-T81 WeakPolarHBondContact CB-OG1 3.4Å; P27-T82 HydrophobicContact CB-CG2 4.14Å; P27-T82 HydrophobicContact CG-CG2 3.38Å
28P84.4Confident86Confident70 Ų7091.7 Ų91.746%0.45549%0.485SS..Hα-helixtrans-56.2-32.1173.7-26.933.2000114.3L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.02Å; P28-L30 VanDerWaalsContact C-N 3.27Å; P28-L30 PolarHBondContact O-N 3.43Å; P28-I31 PolarHBondContact O-N 2.87Å
29L87.8Confident86.2Confident136 Ų13689.2 Ų89.271%0.71247%0.468SS*.Hα-helixtrans-69.3-25.8179.8-173.364.4000112.5F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.32Å; F26-L29 WeakPolarHBondContact O-CB 3.43Å; F26-L29 PolarHBondContact O-N 3.49Å; P27-L29 PolarHBondContact O-N 3.27Å; L29-I31 PolarHBondContact O-N 2.95Å
30L87.4Confident86.5Confident80 Ų8093.8 Ų93.842%0.41949%0.49SS..THydrogen-bonded Turntrans-74.2-6.2178.9-64.3170.3000113.6F26 P27 P28 P32 L85F26-L30 HydrophobicContact CD1-CD1 4.13Å; F26-L30 HydrophobicContact CD1-CG 4.39Å; F26-L30 HydrophobicContact CE1-CD1 3.94Å; F26-L30 HydrophobicContact CE1-CD2 4.05Å; F26-L30 HydrophobicContact CE1-CG 4.11Å; F26-L30 HydrophobicContact CZ-CD2 4.43Å; P27-L30 WeakPolarHBondContact O-CB 3.46Å; P27-L30 PolarHBondContact O-N 3.31Å; P27-L30 VanDerWaalsContact O-N 3.11Å; P28-L30 VanDerWaalsContact C-N 3.27Å; P28-L30 PolarHBondContact O-N 3.43Å; L30-P32 VanDerWaalsContact C-CD 3.41Å; L30-P32 WeakPolarHBondContact O-CD 3.35Å; L30-L85 HydrophobicContact CD1-CD1 3.28Å
31I88.3Confident86.8Confident51 Ų51103 Ų10326%0.26252%0.521SS..SBendtrans-107.880.5-174.8-57.7171.2000107.8P28 L29 I77 T81P28-I31 PolarHBondContact O-N 2.87Å; L29-I31 PolarHBondContact O-N 2.95Å; I31-I77 HydrophobicContact CD1-CG2 3.39Å; I31-I77 HydrophobicContact CG1-CG2 4.45Å; I31-T81 HydrophobicContact CD1-CG2 4.49Å
32P87.1Confident87Confident52 Ų52103.5 Ų103.534%0.33852%0.52SS..  trans-66.3142.7-179.927-33.9000110.8L30 L42 I43L30-P32 VanDerWaalsContact C-CD 3.41Å; L30-P32 WeakPolarHBondContact O-CD 3.35Å; P32-L42 HydrophobicContact CG-CD2 3.63Å; P32-I43 HydrophobicContact CB-CD1 4.33Å; P32-I43 HydrophobicContact CB-CG1 4.36Å; P32-I43 HydrophobicContact CG-CD1 4.4Å; P32-I43 HydrophobicContact CG-CG1 3.92Å
33T87.4Confident87.4Confident134 Ų13497.9 Ų97.982%0.82249%0.491SS*.  trans-111.8141.7170.3600000109.2
34S87.4Confident87.7Confident38 Ų3899.1 Ų99.127%0.26650%0.498SS..  trans-129.7146.9174.355.10000110.4N39 I43S34-N39 WeakPolarHBondContact CB-OD1 3.22Å; S34-N39 PolarHBondContact OG-ND2 3.16Å; S34-N39 PolarHBondContact OG-OD1 3.38Å; S34-I43 VanDerWaalsContact OG-CD1 3.31Å; S34-I43 WeakPolarHBondContact OG-CD1 3.22Å
35K86.3Confident87.9Confident213 Ų213100.9 Ų100.993%0.92651%0.511SS*.  trans-86.5-12.1180-62.4179.6-179.7177.50113
36Y87Confident88.1Confident185 Ų18597.1 Ų97.173%0.72549%0.491SS*.SBendtrans-81.3153.1-174.7-61.1-73.1000111.8N39Y36-N39 PolarHBondContact O-ND2 3.02Å; Y36-N39 PolarHBondContact O-OD1 3.45Å
37L78.9Confident88.2Confident181 Ų18197.2 Ų97.295%0.94849%0.492SS*.SBendtrans-72.3-39.3176.9-170.175000111.4
38I86.3Confident88.5Confident155 Ų155105 Ų10580%0.79552%0.521SS*.SBendtrans-100.9114.8174.8-58.5169.6000107.3
39N89.6Confident88.8Confident25 Ų25106.1 Ų106.113%0.13452%0.524CS..  trans-109.9168-172.9-73.2-24000112.6S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.22Å; S34-N39 PolarHBondContact OG-ND2 3.16Å; S34-N39 PolarHBondContact OG-OD1 3.38Å; Y36-N39 PolarHBondContact O-ND2 3.02Å; Y36-N39 PolarHBondContact O-OD1 3.45Å; N39-I43 HydrophobicContact CB-CB 3.93Å; N39-I43 HydrophobicContact CB-CG2 3.81Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.12Å; N39-T44 HydrophobicContact CB-CG2 4.1Å; N39-Q47 PolarHBondContact ND2-NE2 2.94Å
40N90.2Very high89Confident115 Ų115102 Ų10262%0.61550%0.502SS*.  trans-64.1154.2172.6-164.30.8000111.1L42 I43 T44N40-L42 PolarHBondContact O-N 3.01Å; N40-L42 VanDerWaalsContact O-N 3.14Å; N40-I43 PolarHBondContact O-N 3.36Å; N40-T44 PolarHBondContact O-N 3.13Å
41R89.9Confident89.2Confident211 Ų211105.5 Ų105.580%0.79651%0.514SS*.Hα-helixtrans-53.3-36.4-177.9-63.9-177.9-179.3-179.50.3113.2T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.33Å; R41-T44 PolarHBondContact O-OG1 2.98Å; R41-T45 WeakPolarHBondContact O-CG2 3.31Å; R41-T45 PolarHBondContact O-N 2.97Å; R41-T45 VanDerWaalsContact O-N 3.07Å; R41-T45 PolarHBondContact O-OG1 3.34Å
42L90.3Very high89.3Confident92 Ų92106.3 Ų106.348%0.48252%0.518SS..Hα-helixtrans-65.6-45.2176.7-170.4158000111.1P32 N40 T44 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.63Å; N40-L42 PolarHBondContact O-N 3.01Å; N40-L42 VanDerWaalsContact O-N 3.14Å; L42-T44 PolarHBondContact O-N 3.46Å; L42-T45 PolarHBondContact O-N 3.28Å; L42-T45 PolarHBondContact O-OG1 3.28Å; L42-Q46 VanDerWaalsContact O-CB 3.31Å; L42-Q46 WeakPolarHBondContact O-CB 3.44Å; L42-Q46 PolarHBondContact O-N 2.93Å
43I91.9Very high89.4Confident16 Ų16104.9 Ų104.98%0.08251%0.508CS..Hα-helixtrans-69.5-36.8-179.6-60.1173000110.6P32 S34 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.33Å; P32-I43 HydrophobicContact CB-CG1 4.36Å; P32-I43 HydrophobicContact CG-CD1 4.4Å; P32-I43 HydrophobicContact CG-CG1 3.92Å; S34-I43 VanDerWaalsContact OG-CD1 3.31Å; S34-I43 WeakPolarHBondContact OG-CD1 3.22Å; N39-I43 HydrophobicContact CB-CB 3.93Å; N39-I43 HydrophobicContact CB-CG2 3.81Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.12Å; N40-I43 PolarHBondContact O-N 3.36Å; I43-Q46 PolarHBondContact O-N 3.15Å; I43-Q47 HydrophobicContact CG2-CG 4.25Å; I43-Q47 WeakPolarHBondContact O-CB 3.43Å; I43-Q47 VanDerWaalsContact O-CG 3.23Å; I43-Q47 WeakPolarHBondContact O-CG 3.44Å; I43-Q47 PolarHBondContact O-N 3.28Å
44T91.6Very high89.5Confident64 Ų6499.9 Ų99.939%0.39348%0.479SS..Hα-helixtrans-67.1-41.8177.259.20000112.2N39 N40 R41 L42 Q47 W48N39-T44 HydrophobicContact CB-CG2 4.1Å; N40-T44 PolarHBondContact O-N 3.13Å; R41-T44 WeakPolarHBondContact CA-OG1 3.33Å; R41-T44 PolarHBondContact O-OG1 2.98Å; L42-T44 PolarHBondContact O-N 3.46Å; T44-Q47 PolarHBondContact O-N 3.28Å; T44-W48 WeakPolarHBondContact O-CB 3.33Å; T44-W48 PolarHBondContact O-N 3.29Å
45T91.4Very high89.6Confident86 Ų86105.2 Ų105.253%0.52850%0.497SS..Hα-helixtrans-65.8-40.5174.951.10000111.8R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.31Å; R41-T45 PolarHBondContact O-N 2.97Å; R41-T45 VanDerWaalsContact O-N 3.07Å; R41-T45 PolarHBondContact O-OG1 3.34Å; L42-T45 PolarHBondContact O-N 3.28Å; L42-T45 PolarHBondContact O-OG1 3.28Å; T45-W48 PolarHBondContact O-N 2.97Å; T45-L49 WeakPolarHBondContact O-CB 3.45Å; T45-L49 PolarHBondContact O-N 3.47Å
46Q91.3Very high89.6Confident40 Ų40101.1 Ų101.119%0.18748%0.481CS..Hα-helixtrans-60.8-50173.2-176.6-166.4-47.600111.8L42 I43 W48 L49 I50L42-Q46 VanDerWaalsContact O-CB 3.31Å; L42-Q46 WeakPolarHBondContact O-CB 3.44Å; L42-Q46 PolarHBondContact O-N 2.93Å; I43-Q46 PolarHBondContact O-N 3.15Å; Q46-W48 VanDerWaalsContact C-N 3.28Å; Q46-W48 PolarHBondContact O-N 3.04Å; Q46-L49 PolarHBondContact O-N 3.47Å; Q46-I50 HydrophobicContact CG-CD1 3.94Å; Q46-I50 VanDerWaalsContact O-CG1 3.27Å; Q46-I50 WeakPolarHBondContact O-CG1 3.31Å; Q46-I50 PolarHBondContact O-N 2.85Å
47Q90.8Very high89.5Confident95 Ų9593 Ų9344%0.44445%0.45SS..Hα-helixtrans-61.1-38.5178.2-75.2175.4-12.200112N39 I43 T44 K51N39-Q47 PolarHBondContact ND2-NE2 2.94Å; I43-Q47 HydrophobicContact CG2-CG 4.25Å; I43-Q47 WeakPolarHBondContact O-CB 3.43Å; I43-Q47 VanDerWaalsContact O-CG 3.23Å; I43-Q47 WeakPolarHBondContact O-CG 3.44Å; I43-Q47 PolarHBondContact O-N 3.28Å; T44-Q47 PolarHBondContact O-N 3.28Å; Q47-K51 WeakPolarHBondContact O-CB 3.33Å; Q47-K51 PolarHBondContact O-N 3.26Å
48W92.9Very high89.8Confident165 Ų16585.3 Ų85.363%0.62541%0.41SS*.Hα-helixtrans-62.8-45.2174.9179.583.8000111.9T44 T45 Q46 K51 L52T44-W48 WeakPolarHBondContact O-CB 3.33Å; T44-W48 PolarHBondContact O-N 3.29Å; T45-W48 PolarHBondContact O-N 2.97Å; Q46-W48 VanDerWaalsContact C-N 3.28Å; Q46-W48 PolarHBondContact O-N 3.04Å; W48-K51 PolarHBondContact O-N 3.43Å; W48-L52 HydrophobicContact CD2-CD1 3.77Å; W48-L52 HydrophobicContact CD2-CG 4.39Å; W48-L52 VanDerWaalsContact CE2-CD1 3.47Å; W48-L52 HydrophobicContact CE3-CD1 3.84Å; W48-L52 HydrophobicContact CH2-CD1 3.41Å; W48-L52 VanDerWaalsContact CH2-CD1 3.41Å; W48-L52 HydrophobicContact CZ2-CD1 3.32Å; W48-L52 HydrophobicContact CZ2-CG 4.41Å; W48-L52 HydrophobicContact CZ3-CD1 3.67Å; W48-L52 WeakPolarHBondContact O-CG 3.47Å; W48-L52 PolarHBondContact O-N 3.36Å
49L91.1Very high89.7Confident95 Ų9582.9 Ų82.950%0.49740%0.402SS..Hα-helixtrans-64.7-42.4178.1-165.5149000111.8T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.45Å; T45-L49 PolarHBondContact O-N 3.47Å; Q46-L49 PolarHBondContact O-N 3.47Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 2.97Å; L49-L52 PolarHBondContact O-N 3.41Å; L49-T53 HydrophobicContact CD2-CG2 4.07Å; L49-T53 WeakPolarHBondContact O-CG2 3.21Å; L49-T53 PolarHBondContact O-N 3.43Å; L49-T53 PolarHBondContact O-OG1 3.35Å
50I91.4Very high89.2Confident49 Ų4988.4 Ų88.425%0.25143%0.429SS..Hα-helixtrans-61.8-42.2175-67172.9000111Q46 T53 S54 V73 I77Q46-I50 HydrophobicContact CG-CD1 3.94Å; Q46-I50 VanDerWaalsContact O-CG1 3.27Å; Q46-I50 WeakPolarHBondContact O-CG1 3.31Å; Q46-I50 PolarHBondContact O-N 2.85Å; I50-T53 WeakPolarHBondContact CA-OG1 3.49Å; I50-T53 PolarHBondContact O-OG1 2.97Å; I50-T53 VanDerWaalsContact O-OG1 3.06Å; I50-S54 VanDerWaalsContact O-CB 3.27Å; I50-S54 WeakPolarHBondContact O-CB 3.02Å; I50-S54 PolarHBondContact O-N 3.42Å; I50-S54 PolarHBondContact O-OG 2.88Å; I50-V73 HydrophobicContact CG2-CG1 3.84Å; I50-I77 HydrophobicContact CD1-CD1 3.9Å; I50-I77 HydrophobicContact CG1-CD1 3.68Å
51K91.4Very high88.8Confident154 Ų15483.8 Ų83.867%0.6740%0.404SS*.Hα-helixtrans-65.1-40.4178-174.1177.5-180179.20112.1Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3.33Å; Q47-K51 PolarHBondContact O-N 3.26Å; W48-K51 PolarHBondContact O-N 3.43Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 2.97Å; K51-S54 WeakPolarHBondContact CA-OG 3.45Å; K51-S54 PolarHBondContact O-OG 2.82Å; K51-S54 VanDerWaalsContact O-OG 3.09Å; K51-K55 VanDerWaalsContact O-CB 3.25Å; K51-K55 WeakPolarHBondContact O-CB 3.34Å; K51-K55 PolarHBondContact O-N 3.42Å
52L91.7Very high88.4Confident67 Ų6779 Ų7935%0.35139%0.394SS..Hα-helixtrans-66.9-50.6178.2-75.4179.3000112.2W48 L49 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.77Å; W48-L52 HydrophobicContact CD2-CG 4.39Å; W48-L52 VanDerWaalsContact CE2-CD1 3.47Å; W48-L52 HydrophobicContact CE3-CD1 3.84Å; W48-L52 HydrophobicContact CH2-CD1 3.41Å; W48-L52 VanDerWaalsContact CH2-CD1 3.41Å; W48-L52 HydrophobicContact CZ2-CD1 3.32Å; W48-L52 HydrophobicContact CZ2-CG 4.41Å; W48-L52 HydrophobicContact CZ3-CD1 3.67Å; W48-L52 WeakPolarHBondContact O-CG 3.47Å; W48-L52 PolarHBondContact O-N 3.36Å; L49-L52 PolarHBondContact O-N 3.41Å; L52-K55 PolarHBondContact O-N 3.01Å; L52-Q56 WeakPolarHBondContact O-CG 3.44Å; L52-Q56 PolarHBondContact O-N 3.03Å
53T88.5Confident87.9Confident23 Ų2380.5 Ų80.514%0.14141%0.407CS..Hα-helixtrans-61.3-47.4-179.448.90000111.4L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 4.07Å; L49-T53 WeakPolarHBondContact O-CG2 3.21Å; L49-T53 PolarHBondContact O-N 3.43Å; L49-T53 PolarHBondContact O-OG1 3.35Å; I50-T53 WeakPolarHBondContact CA-OG1 3.49Å; I50-T53 PolarHBondContact O-OG1 2.97Å; I50-T53 VanDerWaalsContact O-OG1 3.06Å; T53-K55 VanDerWaalsContact C-N 3.35Å; T53-K55 PolarHBondContact O-N 3.34Å; T53-Q56 PolarHBondContact O-N 2.93Å; T53-M57 WeakPolarHBondContact O-CG 3.45Å; T53-M57 PolarHBondContact O-N 3.29Å
54S89.1Confident87.3Confident29 Ų2985.1 Ų85.120%0.20343%0.427CS..Hα-helixtrans-61.3-40.2175.659.50000112.6I50 K51 M58I50-S54 VanDerWaalsContact O-CB 3.27Å; I50-S54 WeakPolarHBondContact O-CB 3.02Å; I50-S54 PolarHBondContact O-N 3.42Å; I50-S54 PolarHBondContact O-OG 2.88Å; K51-S54 WeakPolarHBondContact CA-OG 3.45Å; K51-S54 PolarHBondContact O-OG 2.82Å; K51-S54 VanDerWaalsContact O-OG 3.09Å; S54-M58 WeakPolarHBondContact O-CB 3.17Å; S54-M58 WeakPolarHBondContact O-CG 3.44Å; S54-M58 PolarHBondContact O-N 3.46Å
55K89.3Confident86.7Confident150 Ų15082.1 Ų82.165%0.65241%0.408SS*.Hα-helixtrans-62.7-45.9176.6-174.6-179.1178.6-174.10111.5K51 L52 T53 T59K51-K55 VanDerWaalsContact O-CB 3.25Å; K51-K55 WeakPolarHBondContact O-CB 3.34Å; K51-K55 PolarHBondContact O-N 3.42Å; L52-K55 PolarHBondContact O-N 3.01Å; T53-K55 VanDerWaalsContact C-N 3.35Å; T53-K55 PolarHBondContact O-N 3.34Å; K55-T59 WeakPolarHBondContact O-CG2 3.34Å; K55-T59 PolarHBondContact O-N 3.1Å
56Q87Confident86.3Confident126 Ų12686.1 Ų86.159%0.58941%0.413SS*.Hα-helixtrans-69.2-39.2-178.3-73.4179.9-27.300113.1L52 T53 T59L52-Q56 WeakPolarHBondContact O-CG 3.44Å; L52-Q56 PolarHBondContact O-N 3.03Å; T53-Q56 PolarHBondContact O-N 2.93Å; Q56-T59 PolarHBondContact O-OG1 2.86Å
57M84.8Confident86.1Confident14 Ų1489.2 Ų89.27%0.06944%0.435CS..Hα-helixtrans-72.7-37.5178.3-70.1-175.7171.100112.3T53 T59 H61 L72 I76 Y212 T215T53-M57 WeakPolarHBondContact O-CG 3.45Å; T53-M57 PolarHBondContact O-N 3.29Å; M57-T59 PolarHBondContact O-N 3.21Å; M57-H61 PolarHBondContact O-CE1 2.8Å; M57-H61 PolarHBondContact O-ND1 3.3Å; M57-L72 HydrophobicContact SD-CB 4.44Å; M57-I76 HydrophobicContact CE-CB 4.46Å; M57-I76 HydrophobicContact CE-CD1 3.6Å; M57-Y212 HydrophobicContact CE-CD2 4.42Å; M57-T215 WeakPolarHBondContact CE-OG1 3.41Å
58M85.4Confident85.9Confident20 Ų2087.2 Ų87.210%0.09942%0.423CS..Hα-helixtrans-80.4-14-174.2-65.8-60.8117.800114.1S54 M60 H61 R66 S69 L72S54-M58 WeakPolarHBondContact O-CB 3.17Å; S54-M58 WeakPolarHBondContact O-CG 3.44Å; S54-M58 PolarHBondContact O-N 3.46Å; M58-M60 PolarHBondContact O-N 3.32Å; M58-H61 PolarHBondContact O-N 3.35Å; M58-R66 HydrophobicContact CG-CG 4.45Å; M58-R66 HydrophobicContact SD-CB 4.39Å; M58-R66 HydrophobicContact SD-CG 3.99Å; M58-S69 VanDerWaalsContact SD-CB 3.51Å; M58-L72 HydrophobicContact CE-CD1 3.77Å
59T84.9Confident85.6Confident105 Ų10580.6 Ų80.664%0.64440%0.403SS*.THydrogen-bonded Turntrans-61.9-28.1177.351.20000112.7K55 Q56 M57K55-T59 WeakPolarHBondContact O-CG2 3.34Å; K55-T59 PolarHBondContact O-N 3.1Å; Q56-T59 PolarHBondContact O-OG1 2.86Å; M57-T59 PolarHBondContact O-N 3.21Å
60M77.4Confident85.6Confident140 Ų14083.1 Ų83.169%0.6942%0.416SS*.THydrogen-bonded Turntrans-87.5-5.9-178.7-50.7-149.787.800113.5M58 H223M58-M60 PolarHBondContact O-N 3.32Å; M60-H223 PolarHBondContact O-CE1 2.83Å; M60-H223 PolarHBondContact O-ND1 3.37Å
61H82.9Confident85.6Confident19 Ų1983.2 Ų83.29%0.08842%0.416CS..  trans-109.5141.7-168.8-69.577.9000113.5M57 M58 S219M57-H61 PolarHBondContact O-CE1 2.8Å; M57-H61 PolarHBondContact O-ND1 3.3Å; M58-H61 PolarHBondContact O-N 3.35Å; H61-S219 PolarHBondContact NE2-O 2.79Å
62N80.3Confident85.6Confident110 Ų11076 Ų7659%0.58838%0.384SS*.  trans-72.7170.9168.9-86.9-22.2000112.3K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.26Å; N62-K64 PolarHBondContact O-N 3.14Å; N62-K64 VanDerWaalsContact O-N 3.15Å; N62-G65 PolarHBondContact O-N 3.39Å; N62-R66 PolarHBondContact O-N 3.17Å
63T80.4Confident85.6Confident123 Ų12373.5 Ų73.576%0.75537%0.372SS*.THydrogen-bonded Turntrans-52.7-38.1-176.853.70000114R66T63-R66 PolarHBondContact O-N 2.78Å
64K79.3Confident85.7Confident114 Ų11475.5 Ų75.550%0.49639%0.387SS..THydrogen-bonded Turntrans-67.2-45.9174.6-69.4-177.6-178.3175.60112.1N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.26Å; N62-K64 PolarHBondContact O-N 3.14Å; N62-K64 VanDerWaalsContact O-N 3.15Å; K64-R66 VanDerWaalsContact C-N 3.25Å; K64-R66 PolarHBondContact O-N 3.15Å; K64-T67 WeakPolarHBondContact O-CB 3.3Å; K64-T67 PolarHBondContact O-N 3.13Å; K64-T67 PolarHBondContact O-OG1 3.22Å
65G78.6Confident85.8Confident0 Ų075 Ų750%038%0.382CS..G310 helixtrans-63-32.1176.900000112.6N62 T67 W68N62-G65 PolarHBondContact O-N 3.39Å; G65-T67 PolarHBondContact O-N 3.12Å; G65-T67 VanDerWaalsContact O-N 3.16Å; G65-W68 WeakPolarHBondContact O-CB 3.35Å; G65-W68 PolarHBondContact O-N 2.99Å
66R83.4Confident85.9Confident170 Ų17068.6 Ų68.664%0.64236%0.355SS*.G310 helixtrans-63.6-20.9177.6-161.4173.5-178.8-175.9-0.4113.9M58 N62 T63 K64 W68 S69M58-R66 HydrophobicContact CG-CG 4.45Å; M58-R66 HydrophobicContact SD-CB 4.39Å; M58-R66 HydrophobicContact SD-CG 3.99Å; N62-R66 PolarHBondContact O-N 3.17Å; T63-R66 PolarHBondContact O-N 2.78Å; K64-R66 VanDerWaalsContact C-N 3.25Å; K64-R66 PolarHBondContact O-N 3.15Å; R66-W68 PolarHBondContact O-N 2.75Å; R66-S69 WeakPolarHBondContact O-CB 3.43Å; R66-S69 PolarHBondContact O-N 2.94Å; R66-S69 VanDerWaalsContact O-N 3.15Å
67T86.6Confident86.1Confident105 Ų10564.2 Ų64.264%0.64434%0.335SS*.G310 helixtrans-64.4-25.8173.863.30000112.6K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.3Å; K64-T67 PolarHBondContact O-N 3.13Å; K64-T67 PolarHBondContact O-OG1 3.22Å; G65-T67 PolarHBondContact O-N 3.12Å; G65-T67 VanDerWaalsContact O-N 3.16Å; T67-S69 VanDerWaalsContact C-N 3.27Å; T67-S69 PolarHBondContact O-N 3.36Å
68W87Confident86.4Confident53 Ų5365.8 Ų65.820%0.20134%0.341CS..G310 helixtrans-84.81.7177.6-72.355.2000113.3G65 R66 L70 M71 L72 T112 L222G65-W68 WeakPolarHBondContact O-CB 3.35Å; G65-W68 PolarHBondContact O-N 2.99Å; R66-W68 PolarHBondContact O-N 2.75Å; W68-L70 VanDerWaalsContact C-N 3.31Å; W68-L70 PolarHBondContact O-N 3.43Å; W68-M71 HydrophobicContact CD2-CE 4.25Å; W68-M71 HydrophobicContact CE3-CE 3.14Å; W68-M71 HydrophobicContact CE3-SD 3.68Å; W68-M71 HydrophobicContact CZ3-CE 3.43Å; W68-M71 VanDerWaalsContact CZ3-CE 3.43Å; W68-M71 HydrophobicContact CZ3-SD 3.64Å; W68-M71 WeakPolarHBondContact O-CB 3.18Å; W68-M71 PolarHBondContact O-N 3.47Å; W68-M71 VanDerWaalsContact O-N 3.08Å; W68-L72 PolarHBondContact O-N 3.1Å; W68-T112 HydrophobicContact CZ3-CG2 4.16Å; W68-L222 HydrophobicContact CB-CD2 3.52Å; W68-L222 HydrophobicContact CD2-CD1 3.76Å; W68-L222 HydrophobicContact CD2-CD2 4.2Å; W68-L222 HydrophobicContact CE3-CD1 4Å; W68-L222 HydrophobicContact CE3-CD2 4.45Å; W68-L222 HydrophobicContact CG-CD1 3.97Å; W68-L222 HydrophobicContact CG-CD2 3.74Å
69S87.9Confident86.7Confident27 Ų2764.8 Ų64.819%0.18934%0.337CS..Hα-helixtrans-53.5-45.8-178.2-178.90000112.8M58 R66 T67 M71 L72 V73M58-S69 VanDerWaalsContact SD-CB 3.51Å; R66-S69 WeakPolarHBondContact O-CB 3.43Å; R66-S69 PolarHBondContact O-N 2.94Å; R66-S69 VanDerWaalsContact O-N 3.15Å; T67-S69 VanDerWaalsContact C-N 3.27Å; T67-S69 PolarHBondContact O-N 3.36Å; S69-M71 VanDerWaalsContact C-N 3.28Å; S69-M71 PolarHBondContact O-N 3.36Å; S69-L72 PolarHBondContact O-N 3.19Å; S69-V73 WeakPolarHBondContact O-CB 3.42Å; S69-V73 VanDerWaalsContact O-CG2 3.24Å; S69-V73 WeakPolarHBondContact O-CG2 3.33Å; S69-V73 PolarHBondContact O-N 3.4Å
70L91Very high87Confident147 Ų14761.2 Ų61.277%0.7732%0.318SS*.Hα-helixtrans-58.9-42.4179.8-17196.6000111.5W68 S74W68-L70 VanDerWaalsContact C-N 3.31Å; W68-L70 PolarHBondContact O-N 3.43Å; L70-S74 WeakPolarHBondContact O-CB 3.3Å; L70-S74 PolarHBondContact O-N 2.91Å; L70-S74 PolarHBondContact O-OG 2.88Å
71M91.4Very high87.6Confident52 Ų5256.1 Ų56.126%0.25629%0.294SS..Hα-helixtrans-68-45.6-178.9-169.5-161.874.200111.1W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 4.25Å; W68-M71 HydrophobicContact CE3-CE 3.14Å; W68-M71 HydrophobicContact CE3-SD 3.68Å; W68-M71 HydrophobicContact CZ3-CE 3.43Å; W68-M71 VanDerWaalsContact CZ3-CE 3.43Å; W68-M71 HydrophobicContact CZ3-SD 3.64Å; W68-M71 WeakPolarHBondContact O-CB 3.18Å; W68-M71 PolarHBondContact O-N 3.47Å; W68-M71 VanDerWaalsContact O-N 3.08Å; S69-M71 VanDerWaalsContact C-N 3.28Å; S69-M71 PolarHBondContact O-N 3.36Å; M71-V73 PolarHBondContact O-N 3.47Å; M71-S74 WeakPolarHBondContact CA-OG 3.19Å; M71-S74 PolarHBondContact O-N 3.38Å; M71-S74 PolarHBondContact O-OG 3.34Å; M71-L75 WeakPolarHBondContact O-CB 3.31Å; M71-L75 PolarHBondContact O-N 3.06Å; M71-L108 HydrophobicContact CE-CD2 3.37Å; M71-L108 HydrophobicContact CG-CD2 4.18Å; M71-L108 HydrophobicContact SD-CD2 3.41Å; M71-L108 WeakPolarHBondContact SD-CD2 3.5Å
72L90.7Very high87.9Confident1 Ų155.4 Ų55.41%0.00529%0.292CS..Hα-helixtrans-64.3-40.3178.3-70.4170.1000112.5M57 M58 W68 S69 L75 I76 V218 L222M57-L72 HydrophobicContact SD-CB 4.44Å; M58-L72 HydrophobicContact CE-CD1 3.77Å; W68-L72 PolarHBondContact O-N 3.1Å; S69-L72 PolarHBondContact O-N 3.19Å; L72-L75 PolarHBondContact O-N 3.32Å; L72-I76 PolarHBondContact O-N 2.63Å; L72-V218 HydrophobicContact CD2-CB 4.19Å; L72-V218 HydrophobicContact CD2-CG1 3.86Å; L72-L222 HydrophobicContact CD1-CD2 4.47Å
73V91.5Very high88.4Confident15 Ų1550.3 Ų50.39%0.09126%0.264CS..Hα-helixtrans-69.2-43178.3171.90000111.4I50 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.84Å; S69-V73 WeakPolarHBondContact O-CB 3.42Å; S69-V73 VanDerWaalsContact O-CG2 3.24Å; S69-V73 WeakPolarHBondContact O-CG2 3.33Å; S69-V73 PolarHBondContact O-N 3.4Å; M71-V73 PolarHBondContact O-N 3.47Å; V73-L75 VanDerWaalsContact C-N 3.32Å; V73-L75 PolarHBondContact O-N 3.04Å; V73-I76 VanDerWaalsContact O-CG2 3.27Å; V73-I76 WeakPolarHBondContact O-CG2 3.36Å; V73-I77 HydrophobicContact CG1-CD1 3.79Å; V73-I77 VanDerWaalsContact O-CD1 3.28Å; V73-I77 WeakPolarHBondContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CG1 3.44Å; V73-I77 PolarHBondContact O-N 3.44Å
74S91.5Very high88.9Confident66 Ų6649.2 Ų49.246%0.46225%0.253SS..Hα-helixtrans-64.5-38.9175.852.90000111.9L70 M71 I77 F78L70-S74 WeakPolarHBondContact O-CB 3.3Å; L70-S74 PolarHBondContact O-N 2.91Å; L70-S74 PolarHBondContact O-OG 2.88Å; M71-S74 WeakPolarHBondContact CA-OG 3.19Å; M71-S74 PolarHBondContact O-N 3.38Å; M71-S74 PolarHBondContact O-OG 3.34Å; S74-I77 PolarHBondContact O-N 2.93Å; S74-F78 VanDerWaalsContact O-CB 3.27Å; S74-F78 WeakPolarHBondContact O-CB 3.25Å; S74-F78 PolarHBondContact O-N 3.45Å
75L90.9Very high89.3Confident17 Ų1746 Ų469%0.08924%0.241CC..Hα-helixtrans-61.5-49.3177.2-175.176.9000112.6M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 WeakPolarHBondContact O-CB 3.31Å; M71-L75 PolarHBondContact O-N 3.06Å; L72-L75 PolarHBondContact O-N 3.32Å; V73-L75 VanDerWaalsContact C-N 3.32Å; V73-L75 PolarHBondContact O-N 3.04Å; L75-I77 VanDerWaalsContact C-N 3.32Å; L75-I77 PolarHBondContact O-N 3.13Å; L75-F78 PolarHBondContact O-N 3.47Å; L75-I79 HydrophobicContact CD1-CD1 4Å; L75-I79 HydrophobicContact CG-CD1 3.91Å; L75-I79 WeakPolarHBondContact O-CG1 3.41Å; L75-I79 PolarHBondContact O-N 3.42Å; L75-L108 HydrophobicContact CD1-CD1 3.5Å; L75-L108 HydrophobicContact CD2-CD1 3.77Å; L75-L108 HydrophobicContact CG-CD1 4.29Å; L75-F214 HydrophobicContact CD1-CE1 4.03Å; L75-F214 HydrophobicContact CD2-CD1 3.86Å; L75-F214 HydrophobicContact CD2-CE1 3.77Å; L75-F214 HydrophobicContact CG-CD1 4.28Å; L75-F214 HydrophobicContact CG-CE1 4.16Å; L75-T215 HydrophobicContact CB-CG2 4.08Å; L75-T215 HydrophobicContact CD2-CG2 3.51Å; L75-T215 HydrophobicContact CG-CG2 3.73Å
76I91.4Very high89.7Confident17 Ų1746 Ų469%0.08724%0.241CC..Hα-helixtrans-63.8-41.4-179.2-169.5169.1000111M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CB 4.46Å; M57-I76 HydrophobicContact CE-CD1 3.6Å; L72-I76 PolarHBondContact O-N 2.63Å; V73-I76 VanDerWaalsContact O-CG2 3.27Å; V73-I76 WeakPolarHBondContact O-CG2 3.36Å; I76-A80 WeakPolarHBondContact O-CB 3.2Å; I76-A80 PolarHBondContact O-N 3.29Å; I76-A211 HydrophobicContact CG1-CB 4.41Å; I76-Y212 HydrophobicContact CD1-CD2 4.21Å; I76-T215 VanDerWaalsContact CA-CG2 3.48Å; I76-T215 HydrophobicContact CB-CG2 3.5Å; I76-T215 VanDerWaalsContact CB-CG2 3.5Å; I76-T215 HydrophobicContact CG1-CG2 4.15Å
77I91.5Very high89.8Confident33 Ų3339.7 Ų39.717%0.16922%0.22CC..Hα-helixtrans-66.3-42178.9-63.2164.6000110.4I31 I50 V73 S74 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.39Å; I31-I77 HydrophobicContact CG1-CG2 4.45Å; I50-I77 HydrophobicContact CD1-CD1 3.9Å; I50-I77 HydrophobicContact CG1-CD1 3.68Å; V73-I77 HydrophobicContact CG1-CD1 3.79Å; V73-I77 VanDerWaalsContact O-CD1 3.28Å; V73-I77 WeakPolarHBondContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CG1 3.44Å; V73-I77 PolarHBondContact O-N 3.44Å; S74-I77 PolarHBondContact O-N 2.93Å; L75-I77 VanDerWaalsContact C-N 3.32Å; L75-I77 PolarHBondContact O-N 3.13Å; I77-T81 HydrophobicContact CG2-CG2 4.25Å; I77-T81 WeakPolarHBondContact O-CB 3.48Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.4Å; I77-T81 PolarHBondContact O-N 3.31Å; I77-T81 PolarHBondContact O-OG1 3.21Å
78F90.9Very high89.8Confident47 Ų4739.3 Ų39.321%0.20621%0.214CC..Hα-helixtrans-63.2-48.8178.6179.8-103.1000112.2I24 S74 L75 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.35Å; S74-F78 VanDerWaalsContact O-CB 3.27Å; S74-F78 WeakPolarHBondContact O-CB 3.25Å; S74-F78 PolarHBondContact O-N 3.45Å; L75-F78 PolarHBondContact O-N 3.47Å; F78-T81 PolarHBondContact O-OG1 3.35Å; F78-T81 VanDerWaalsContact O-OG1 3.1Å; F78-T82 HydrophobicContact CD2-CG2 4.34Å; F78-T82 HydrophobicContact CE1-CG2 4.22Å; F78-T82 HydrophobicContact CE2-CG2 3.95Å; F78-T82 HydrophobicContact CZ-CG2 3.89Å; F78-T82 WeakPolarHBondContact O-CB 3.41Å; F78-T82 VanDerWaalsContact O-CG2 3.32Å; F78-T82 WeakPolarHBondContact O-CG2 3.46Å; F78-T82 PolarHBondContact O-N 2.95Å; F78-T82 PolarHBondContact O-OG1 3.49Å; F78-M100 HydrophobicContact CE1-CE 3.85Å; F78-M100 HydrophobicContact CZ-CE 3.82Å; F78-M104 HydrophobicContact CD1-SD 3.9Å; F78-M104 HydrophobicContact CE1-CE 4.2Å; F78-M104 HydrophobicContact CE1-SD 3.63Å
79I90.9Very high89.6Confident0 Ų042 Ų420%024%0.238CC..Hα-helixtrans-68-41.8-179.9-59.7168.9000110.6L75 T81 T82 N83 M104 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 4Å; L75-I79 HydrophobicContact CG-CD1 3.91Å; L75-I79 WeakPolarHBondContact O-CG1 3.41Å; L75-I79 PolarHBondContact O-N 3.42Å; I79-T81 PolarHBondContact O-N 3.13Å; I79-T82 WeakPolarHBondContact CA-OG1 3.29Å; I79-T82 PolarHBondContact O-OG1 2.98Å; I79-N83 VanDerWaalsContact O-CB 3.32Å; I79-N83 WeakPolarHBondContact O-CB 3.49Å; I79-N83 PolarHBondContact O-N 3.15Å; I79-N83 PolarHBondContact O-ND2 3.23Å; I79-N83 PolarHBondContact O-OD1 3.35Å; I79-M104 HydrophobicContact CG1-SD 4.44Å; I79-L160 HydrophobicContact CG2-CD1 3.97Å; I79-L160 HydrophobicContact CG2-CD2 4.19Å; I79-A211 HydrophobicContact CB-CB 4Å; I79-A211 HydrophobicContact CG2-CB 3.75Å; I79-F214 HydrophobicContact CD1-CB 4.24Å; I79-F214 HydrophobicContact CD1-CD1 3.33Å; I79-F214 HydrophobicContact CD1-CD2 4.32Å; I79-F214 HydrophobicContact CD1-CE1 3.68Å; I79-F214 HydrophobicContact CD1-CG 3.72Å; I79-F214 HydrophobicContact CD1-CZ 4.31Å
80A90.6Very high89.3Confident30 Ų3050.3 Ų50.325%0.24827%0.274CS..Hα-helixtrans-63.4-44.4178.800000111.9I76 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.2Å; I76-A80 PolarHBondContact O-N 3.29Å; A80-L84 VanDerWaalsContact O-CB 3.29Å; A80-L84 WeakPolarHBondContact O-CB 3.47Å; A80-L84 PolarHBondContact O-N 2.97Å; A80-A211 HydrophobicContact CB-CB 3.92Å
81T90.8Very high88.9Confident32 Ų3244.9 Ų44.920%0.19625%0.248CC..Hα-helixtrans-69.3-43-179.951.70000112.3P27 I31 I77 F78 I79 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.4Å; I31-T81 HydrophobicContact CD1-CG2 4.49Å; I77-T81 HydrophobicContact CG2-CG2 4.25Å; I77-T81 WeakPolarHBondContact O-CB 3.48Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.4Å; I77-T81 PolarHBondContact O-N 3.31Å; I77-T81 PolarHBondContact O-OG1 3.21Å; F78-T81 PolarHBondContact O-OG1 3.35Å; F78-T81 VanDerWaalsContact O-OG1 3.1Å; I79-T81 PolarHBondContact O-N 3.13Å; T81-L84 PolarHBondContact O-N 3.38Å; T81-L85 WeakPolarHBondContact O-CB 3.13Å; T81-L85 PolarHBondContact O-N 3.16Å
82T90.4Very high88.4Confident5 Ų544 Ų443%0.03124%0.243CC..Hα-helixtrans-62.1-43.9176.147.40000112.4P27 F78 I79 G86P27-T82 HydrophobicContact CB-CG2 4.14Å; P27-T82 HydrophobicContact CG-CG2 3.38Å; F78-T82 HydrophobicContact CD2-CG2 4.34Å; F78-T82 HydrophobicContact CE1-CG2 4.22Å; F78-T82 HydrophobicContact CE2-CG2 3.95Å; F78-T82 HydrophobicContact CZ-CG2 3.89Å; F78-T82 WeakPolarHBondContact O-CB 3.41Å; F78-T82 VanDerWaalsContact O-CG2 3.32Å; F78-T82 WeakPolarHBondContact O-CG2 3.46Å; F78-T82 PolarHBondContact O-N 2.95Å; F78-T82 PolarHBondContact O-OG1 3.49Å; I79-T82 WeakPolarHBondContact CA-OG1 3.29Å; I79-T82 PolarHBondContact O-OG1 2.98Å; T82-G86 PolarHBondContact O-N 3.22Å; T82-G86 VanDerWaalsContact O-N 3.09Å
83N90.7Very high88Confident2 Ų244.1 Ų44.11%0.01124%0.244CC..Hα-helixtrans-67.3-42.5178.5-67.4-10.3000112I79 G86 L87 T95 L160 I164 A207I79-N83 VanDerWaalsContact O-CB 3.32Å; I79-N83 WeakPolarHBondContact O-CB 3.49Å; I79-N83 PolarHBondContact O-N 3.15Å; I79-N83 PolarHBondContact O-ND2 3.23Å; I79-N83 PolarHBondContact O-OD1 3.35Å; N83-G86 WeakPolarHBondContact O-CA 3.49Å; N83-G86 PolarHBondContact O-N 3.5Å; N83-G86 VanDerWaalsContact O-N 3.11Å; N83-L87 PolarHBondContact O-N 3.35Å; N83-T95 WeakPolarHBondContact OD1-CB 3.29Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.43Å; N83-T95 PolarHBondContact OD1-OG1 2.92Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.18Å; N83-I164 HydrophobicContact CB-CD1 4.35Å; N83-I164 VanDerWaalsContact CG-CD1 3.46Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.31Å; N83-A207 HydrophobicContact CB-CB 3.92Å; N83-A207 PolarHBondContact ND2-O 2.98Å
84L89.3Confident87.5Confident100 Ų10044 Ų4452%0.52424%0.243SC..Hα-helixtrans-65.8-42.6179.2-165.698.7000111.7A80 T81 G86 L87 I204A80-L84 VanDerWaalsContact O-CB 3.29Å; A80-L84 WeakPolarHBondContact O-CB 3.47Å; A80-L84 PolarHBondContact O-N 2.97Å; T81-L84 PolarHBondContact O-N 3.38Å; L84-G86 PolarHBondContact O-N 3.42Å; L84-L87 PolarHBondContact O-N 3.18Å; L84-I204 HydrophobicContact CD1-CG2 4.44Å
85L89.1Confident87.2Confident46 Ų4640.9 Ų40.924%0.24122%0.221CC..Hα-helixtrans-60.7-29.2173.9-136.789.9000112F26 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD1 4.28Å; F26-L85 HydrophobicContact CD1-CD2 3.38Å; F26-L85 HydrophobicContact CD1-CG 4.45Å; F26-L85 HydrophobicContact CE1-CD1 4.16Å; F26-L85 HydrophobicContact CE1-CD2 3.77Å; F26-L85 HydrophobicContact CG-CD2 4.41Å; L30-L85 HydrophobicContact CD1-CD1 3.28Å; T81-L85 WeakPolarHBondContact O-CB 3.13Å; T81-L85 PolarHBondContact O-N 3.16Å; L85-L87 VanDerWaalsContact C-N 3.3Å; L85-L87 PolarHBondContact O-N 3.38Å; L85-L88 HydrophobicContact CG-CD1 4.1Å; L85-L88 WeakPolarHBondContact O-CB 3.39Å; L85-L88 WeakPolarHBondContact O-CG 3.04Å; L85-L88 PolarHBondContact O-N 3Å; L85-S91 PolarHBondContact O-OG 2.84Å
86G85.3Confident86.9Confident1 Ų140.6 Ų40.61%0.0122%0.22CC..Hα-helixtrans-63.5-32.4178.500000115.9T82 N83 L84 L88 S91 H168T82-G86 PolarHBondContact O-N 3.22Å; T82-G86 VanDerWaalsContact O-N 3.09Å; N83-G86 WeakPolarHBondContact O-CA 3.49Å; N83-G86 PolarHBondContact O-N 3.5Å; N83-G86 VanDerWaalsContact O-N 3.11Å; L84-G86 PolarHBondContact O-N 3.42Å; G86-L88 PolarHBondContact O-N 3.01Å; G86-S91 WeakPolarHBondContact CA-OG 3.39Å; G86-S91 PolarHBondContact O-OG 3.38Å; G86-H168 PolarHBondContact O-CE1 3.46Å; G86-H168 PolarHBondContact O-NE2 2.96Å
87L86.6Confident86.8Confident38 Ų3843 Ų4320%0.19923%0.231CC..THydrogen-bonded Turntrans-76.3-5.4-179.4-59.4175.7000112.9N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 3.35Å; L84-L87 PolarHBondContact O-N 3.18Å; L85-L87 VanDerWaalsContact C-N 3.3Å; L85-L87 PolarHBondContact O-N 3.38Å; L87-M171 HydrophobicContact CD2-CE 3.99Å; L87-E203 HydrophobicContact CD1-CG 4.48Å; L87-E203 HydrophobicContact CD2-CB 4.19Å; L87-E203 HydrophobicContact CD2-CG 3.4Å; L87-E203 VanDerWaalsContact CD2-CG 3.4Å; L87-I204 HydrophobicContact CD1-CB 4.18Å; L87-I204 HydrophobicContact CD1-CG1 3.6Å; L87-A207 HydrophobicContact CD1-CB 4.06Å
88L87.1Confident86.6Confident96 Ų9644.6 Ų44.650%0.50324%0.24SC..SBendtrans-66.4145.4174.3-65175.9000110.8L85 G86 H90 S91L85-L88 HydrophobicContact CG-CD1 4.1Å; L85-L88 WeakPolarHBondContact O-CB 3.39Å; L85-L88 WeakPolarHBondContact O-CG 3.04Å; L85-L88 PolarHBondContact O-N 3Å; G86-L88 PolarHBondContact O-N 3.01Å; L88-H90 PolarHBondContact O-N 3.42Å; L88-S91 PolarHBondContact O-N 2.96Å; L88-S91 PolarHBondContact O-OG 2.89Å; L88-S91 VanDerWaalsContact O-OG 3.07Å
89P81.6Confident86.4Confident111 Ų11146.4 Ų46.472%0.72126%0.258SS*.THydrogen-bonded Turntrans-60.4132.9178.725.4-33.8000110.5S91P89-S91 PolarHBondContact O-N 3.19Å
90H81.5Confident86.2Confident200 Ų20048.3 Ų48.393%0.92627%0.268SS*.THydrogen-bonded Turntrans59.218.1179.7-56.4-67.6000115.9L88L88-H90 PolarHBondContact O-N 3.42Å
91S82.9Confident86.1Confident34 Ų3446.9 Ų46.924%0.23826%0.256CS..  trans-81.8142.5171.569.80000111.3L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 2.84Å; G86-S91 WeakPolarHBondContact CA-OG 3.39Å; G86-S91 PolarHBondContact O-OG 3.38Å; L88-S91 PolarHBondContact O-N 2.96Å; L88-S91 PolarHBondContact O-OG 2.89Å; L88-S91 VanDerWaalsContact O-OG 3.07Å; P89-S91 PolarHBondContact O-N 3.19Å
92F81.1Confident85.9Confident33 Ų3347.6 Ų47.615%0.14526%0.258CS..  trans-86.5123.7170.2173.6-98.9000109.3A11 P12 A20 T23 P94 Q97A11-F92 HydrophobicContact CB-CZ 4.39Å; P12-F92 HydrophobicContact CG-CB 4.31Å; P12-F92 HydrophobicContact CG-CD1 4.09Å; P12-F92 HydrophobicContact CG-CD2 4.46Å; P12-F92 HydrophobicContact CG-CG 4.02Å; A20-F92 HydrophobicContact CB-CE1 4.2Å; T23-F92 HydrophobicContact CG2-CD1 4.36Å; F92-P94 HydrophobicContact CE1-CB 4.46Å; F92-P94 WeakPolarHBondContact O-CD 3.36Å; F92-Q97 HydrophobicContact CZ-CG 4.21Å
93T82.5Confident85.9Confident4 Ų450.5 Ų50.53%0.02528%0.282CS..  trans-95.5112.5177.531.80000111.4T95 T96 I164T93-T95 PolarHBondContact O-N 3.07Å; T93-T95 VanDerWaalsContact O-N 3.17Å; T93-T96 PolarHBondContact O-N 2.95Å; T93-T96 PolarHBondContact O-OG1 2.93Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.41Å; T93-I164 HydrophobicContact CG2-CG2 4.45Å
94P81.4Confident85.6Confident12 Ų1251.6 Ų51.68%0.07829%0.288CS..G310 helixtrans-63.9-22.8175.726.2-33.6000112.6I24 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.27Å; I24-P94 HydrophobicContact CG1-CB 3.67Å; I24-P94 HydrophobicContact CG1-CG 3.99Å; F92-P94 HydrophobicContact CE1-CB 4.46Å; F92-P94 WeakPolarHBondContact O-CD 3.36Å; P94-T96 VanDerWaalsContact C-N 3.28Å; P94-T96 PolarHBondContact O-N 2.84Å; P94-Q97 PolarHBondContact O-N 3.14Å; P94-M100 HydrophobicContact CB-CG 4.46Å; P94-M100 VanDerWaalsContact O-CB 3.3Å; P94-M100 WeakPolarHBondContact O-CB 3.37Å
95T84.9Confident85.6Confident1 Ų146.9 Ų46.91%0.00626%0.264CS..G310 helixtrans-76.5-8.5179.8520000114.4N83 T93 Q97 N101 I164N83-T95 WeakPolarHBondContact OD1-CB 3.29Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.43Å; N83-T95 PolarHBondContact OD1-OG1 2.92Å; T93-T95 PolarHBondContact O-N 3.07Å; T93-T95 VanDerWaalsContact O-N 3.17Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; T95-N101 PolarHBondContact O-ND2 3.2Å; T95-N101 PolarHBondContact O-OD1 3.39Å; T95-I164 VanDerWaalsContact OG1-CD1 3.31Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.31Å
96T85.3Confident85.5Confident10 Ų1048.6 Ų48.66%0.06127%0.272CS..G310 helixtrans-74.4-26.7169.556.10000112.3F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.83Å; F9-T96 HydrophobicContact CE1-CG2 3.72Å; T93-T96 PolarHBondContact O-N 2.95Å; T93-T96 PolarHBondContact O-OG1 2.93Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.41Å; P94-T96 VanDerWaalsContact C-N 3.28Å; P94-T96 PolarHBondContact O-N 2.84Å; T96-L98 PolarHBondContact O-N 3.12Å; T96-T161 WeakPolarHBondContact O-CG2 3.45Å; T96-I164 HydrophobicContact CG2-CB 4.37Å; T96-I164 HydrophobicContact CG2-CG2 3.65Å; T96-T165 HydrophobicContact CG2-CG2 3.79Å
97Q88.7Confident85.7Confident68 Ų6852.3 Ų52.332%0.31830%0.296SS..SBendtrans-78.2120.3178.4-65.8-63.8-28.100109.8F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 3.35Å; F92-Q97 HydrophobicContact CZ-CG 4.21Å; P94-Q97 PolarHBondContact O-N 3.14Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; Q97-S99 PolarHBondContact O-N 2.97Å; Q97-M100 PolarHBondContact O-N 3.35Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; Q97-N101 PolarHBondContact O-N 2.89Å
98L86.5Confident85.8Confident67 Ų6751.5 Ų51.535%0.35129%0.292SS..Hα-helixtrans-57.6-33.4178.2-177.263.8000112.2T96 M100 N101 L102 M154 A157 V158 T161T96-L98 PolarHBondContact O-N 3.12Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.03Å; L98-N101 PolarHBondContact O-N 3.05Å; L98-L102 WeakPolarHBondContact O-CB 3.46Å; L98-L102 PolarHBondContact O-N 3.33Å; L98-M154 HydrophobicContact CD2-CE 4.18Å; L98-A157 HydrophobicContact CD1-CB 4.35Å; L98-V158 HydrophobicContact CD1-CG2 3.91Å; L98-T161 VanDerWaalsContact CA-CG2 3.43Å; L98-T161 HydrophobicContact CB-CG2 4.01Å; L98-T161 HydrophobicContact CD1-CG2 3.98Å
99S87.6Confident85.8Confident85 Ų8548.9 Ų48.959%0.59428%0.275SS*.Hα-helixtrans-56.7-43.5176.556.10000112.6Q97 A103Q97-S99 PolarHBondContact O-N 2.97Å; S99-A103 WeakPolarHBondContact O-CB 3.19Å; S99-A103 PolarHBondContact O-N 3.2Å
100M87.1Confident86Confident40 Ų4044.9 Ų44.920%0.19725%0.252CS..Hα-helixtrans-67.5-46.3-179.5-176.462.9-173.500111.3I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-SD 4.27Å; I24-M100 HydrophobicContact CG2-CE 4.26Å; F78-M100 HydrophobicContact CE1-CE 3.85Å; F78-M100 HydrophobicContact CZ-CE 3.82Å; P94-M100 HydrophobicContact CB-CG 4.46Å; P94-M100 VanDerWaalsContact O-CB 3.3Å; P94-M100 WeakPolarHBondContact O-CB 3.37Å; Q97-M100 PolarHBondContact O-N 3.35Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.03Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.23Å; M100-A103 PolarHBondContact O-N 3.11Å; M100-M104 HydrophobicContact CE-CE 3.91Å; M100-M104 HydrophobicContact CE-CG 4.4Å; M100-M104 HydrophobicContact CE-SD 4.22Å; M100-M104 HydrophobicContact CG-CE 3.74Å; M100-M104 PolarHBondContact O-N 3.3Å
101N88.4Confident86.2Confident0 Ų036.4 Ų36.40%022%0.218CC..Hα-helixtrans-67.7-37.5-178.6-66.3-7.1000111.6T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.2Å; T95-N101 PolarHBondContact O-OD1 3.39Å; Q97-N101 PolarHBondContact O-N 2.89Å; L98-N101 PolarHBondContact O-N 3.05Å; N101-M104 PolarHBondContact O-N 3.48Å; N101-A105 VanDerWaalsContact O-CB 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.49Å; N101-A105 PolarHBondContact O-N 2.93Å; N101-A157 HydrophobicContact CB-CB 3.94Å; N101-A157 PolarHBondContact ND2-O 2.96Å; N101-L160 HydrophobicContact CB-CD2 4.26Å; N101-L160 VanDerWaalsContact CG-CD2 3.4Å; N101-L160 WeakPolarHBondContact ND2-CB 3.2Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.32Å; N101-L160 VanDerWaalsContact ND2-CG 3.3Å; N101-L160 WeakPolarHBondContact ND2-CG 3.07Å; N101-L160 VanDerWaalsContact OD1-CD2 3.32Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.39Å; N101-T161 HydrophobicContact CB-CG2 4.26Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.38Å; N101-T161 PolarHBondContact ND2-N 2.89Å
102L86.6Confident86.3Confident47 Ų4734.8 Ų34.825%0.24621%0.207CC..Hα-helixtrans-69.7-39176.5-16268.5000111.6L98 M100 M104 A105 I106 M154 A157L98-L102 WeakPolarHBondContact O-CB 3.46Å; L98-L102 PolarHBondContact O-N 3.33Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.23Å; L102-M104 PolarHBondContact O-N 3.21Å; L102-A105 PolarHBondContact O-N 3Å; L102-I106 HydrophobicContact CD1-CD1 3.81Å; L102-I106 HydrophobicContact CD1-CG1 3.91Å; L102-I106 HydrophobicContact CD2-CD1 3.94Å; 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 3.35Å; L102-I106 PolarHBondContact O-N 2.68Å; L102-M154 HydrophobicContact CD1-SD 3.45Å; L102-M154 WeakPolarHBondContact CD1-SD 3.27Å; L102-M154 HydrophobicContact CD2-SD 4.38Å; L102-A157 HydrophobicContact CB-CB 4.43Å; L102-A157 HydrophobicContact CD1-CB 4.03Å
103A89Confident86.4Confident65 Ų6534 Ų3454%0.53720%0.204SC..Hα-helixtrans-63.2-28.4173.500000112.9S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.19Å; S99-A103 PolarHBondContact O-N 3.2Å; M100-A103 PolarHBondContact O-N 3.11Å; A103-P107 WeakPolarHBondContact O-CD 3.47Å; A103-P107 WeakPolarHBondContact O-CG 3.44Å
104M86.1Confident86.6Confident25 Ų2538.6 Ų38.612%0.12323%0.228CC..Hα-helixtrans-79.7-45.7170.5-70.6-173-89.900112.4F78 I79 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.9Å; F78-M104 HydrophobicContact CE1-CE 4.2Å; F78-M104 HydrophobicContact CE1-SD 3.63Å; I79-M104 HydrophobicContact CG1-SD 4.44Å; M100-M104 HydrophobicContact CE-CE 3.91Å; M100-M104 HydrophobicContact CE-CG 4.4Å; M100-M104 HydrophobicContact CE-SD 4.22Å; M100-M104 HydrophobicContact CG-CE 3.74Å; M100-M104 PolarHBondContact O-N 3.3Å; N101-M104 PolarHBondContact O-N 3.48Å; L102-M104 PolarHBondContact O-N 3.21Å; M104-L108 WeakPolarHBondContact O-CD1 3.4Å; M104-L108 VanDerWaalsContact O-CG 3.25Å; M104-L108 WeakPolarHBondContact O-CG 3.24Å
105A87.3Confident86.6Confident2 Ų240.6 Ų40.62%0.01724%0.237CC..Hα-helixtrans-71.2-44.3-171.600000113.6N101 L102 L108 W109 A157 F214N101-A105 VanDerWaalsContact O-CB 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.49Å; N101-A105 PolarHBondContact O-N 2.93Å; L102-A105 PolarHBondContact O-N 3Å; A105-L108 PolarHBondContact O-N 3.38Å; A105-W109 WeakPolarHBondContact O-CB 3.17Å; A105-W109 PolarHBondContact O-N 2.79Å; A105-A157 HydrophobicContact CB-CB 4.2Å; A105-F214 HydrophobicContact CB-CE2 4.34Å; A105-F214 HydrophobicContact CB-CZ 4.18Å
106I88.4Confident86.3Confident82 Ų8240.6 Ų40.642%0.42124%0.237SC..Hα-helixtrans-62.8-49.7-175.3-66.2177.4000111.8L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.81Å; L102-I106 HydrophobicContact CD1-CG1 3.91Å; L102-I106 HydrophobicContact CD2-CD1 3.94Å; 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 3.35Å; L102-I106 PolarHBondContact O-N 2.68Å; I106-L108 VanDerWaalsContact C-N 3.34Å; I106-L108 PolarHBondContact O-N 3.39Å; I106-W109 PolarHBondContact O-N 3.36Å; I106-A110 WeakPolarHBondContact O-CB 3.09Å; I106-A110 PolarHBondContact O-N 3.31Å
107P89.6Confident86Confident79 Ų7944.1 Ų44.151%0.51325%0.251SS..Hα-helixtrans-64.7-37.3-179.2-24.336.8000113.1A103 G111A103-P107 WeakPolarHBondContact O-CD 3.47Å; A103-P107 WeakPolarHBondContact O-CG 3.44Å; P107-G111 PolarHBondContact O-N 3.13Å
108L88.3Confident85.5Confident20 Ų2050.6 Ų50.611%0.10527%0.273CS..Hα-helixtrans-64.7-48.1178-71.5169.3000111.3M71 L75 M104 A105 I106 G111 T112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.37Å; M71-L108 HydrophobicContact CG-CD2 4.18Å; M71-L108 HydrophobicContact SD-CD2 3.41Å; M71-L108 WeakPolarHBondContact SD-CD2 3.5Å; L75-L108 HydrophobicContact CD1-CD1 3.5Å; L75-L108 HydrophobicContact CD2-CD1 3.77Å; L75-L108 HydrophobicContact CG-CD1 4.29Å; M104-L108 WeakPolarHBondContact O-CD1 3.4Å; M104-L108 VanDerWaalsContact O-CG 3.25Å; M104-L108 WeakPolarHBondContact O-CG 3.24Å; A105-L108 PolarHBondContact O-N 3.38Å; I106-L108 VanDerWaalsContact C-N 3.34Å; I106-L108 PolarHBondContact O-N 3.39Å; L108-G111 PolarHBondContact O-N 3.49Å; L108-T112 PolarHBondContact O-N 2.87Å; L108-T112 VanDerWaalsContact O-N 3.1Å; L108-F214 HydrophobicContact CD1-CE1 4Å; L108-F214 HydrophobicContact CD1-CZ 4.45Å; L108-V218 HydrophobicContact CB-CG1 4.4Å
109W86.8Confident84.7Confident42 Ų4249.3 Ų49.316%0.15927%0.27CS..Hα-helixtrans-65-44.3176.4172.591.6000112.1A105 I106 G111 T112 V113 L149 L150 P153A105-W109 WeakPolarHBondContact O-CB 3.17Å; A105-W109 PolarHBondContact O-N 2.79Å; I106-W109 PolarHBondContact O-N 3.36Å; W109-G111 PolarHBondContact O-N 3.4Å; W109-T112 PolarHBondContact O-N 2.96Å; W109-T112 PolarHBondContact O-OG1 3.48Å; W109-V113 HydrophobicContact CD2-CG2 4.08Å; W109-V113 HydrophobicContact CH2-CG2 4.34Å; W109-V113 HydrophobicContact CZ2-CG2 3.89Å; W109-V113 WeakPolarHBondContact O-CG2 3.3Å; W109-V113 PolarHBondContact O-N 3.48Å; W109-L149 HydrophobicContact CH2-CD2 4.21Å; W109-L149 HydrophobicContact CZ2-CD2 3.49Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.49Å; W109-L149 HydrophobicContact CZ2-CG 3.93Å; W109-L149 WeakPolarHBondContact CZ2-O 2.97Å; W109-L149 PolarHBondContact NE1-O 3.43Å; W109-L149 VanDerWaalsContact NE1-O 3.13Å; W109-L150 HydrophobicContact CH2-CD2 3.71Å; W109-L150 HydrophobicContact CZ2-CD2 4.17Å; W109-P153 HydrophobicContact CB-CB 3.85Å; W109-P153 HydrophobicContact CB-CG 4.32Å; W109-P153 HydrophobicContact CD2-CB 4.31Å; W109-P153 HydrophobicContact CD2-CG 3.79Å; W109-P153 HydrophobicContact CE3-CG 4.32Å; W109-P153 HydrophobicContact CG-CB 3.82Å; W109-P153 HydrophobicContact CG-CG 3.76Å
110A86.1Confident83.9Confident27 Ų2749.4 Ų49.422%0.22326%0.259CS..Hα-helixtrans-61.1-39.3177.100000110.5I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.09Å; I106-A110 PolarHBondContact O-N 3.31Å; A110-V113 PolarHBondContact O-N 2.93Å; A110-I114 VanDerWaalsContact O-CB 3.31Å; A110-I114 WeakPolarHBondContact O-CB 3.34Å; A110-I114 WeakPolarHBondContact O-CD1 3.4Å; A110-I114 WeakPolarHBondContact O-CG1 3.41Å; A110-I114 PolarHBondContact O-N 3.45Å
111G86.1Confident82.9Confident21 Ų2152.6 Ų52.622%0.21628%0.276CS..Hα-helixtrans-60-45.4174.900000113.5P107 L108 W109 M115P107-G111 PolarHBondContact O-N 3.13Å; L108-G111 PolarHBondContact O-N 3.49Å; W109-G111 PolarHBondContact O-N 3.4Å; G111-M115 VanDerWaalsContact O-CB 3.3Å; G111-M115 WeakPolarHBondContact O-CB 3.3Å; G111-M115 PolarHBondContact O-N 3.33Å
112T84.7Confident81.8Confident1 Ų161.6 Ų61.61%0.00632%0.315CS..Hα-helixtrans-66.6-42.9178.156.90000111.6W68 L108 W109 M115 G116 L222W68-T112 HydrophobicContact CZ3-CG2 4.16Å; L108-T112 PolarHBondContact O-N 2.87Å; L108-T112 VanDerWaalsContact O-N 3.1Å; W109-T112 PolarHBondContact O-N 2.96Å; W109-T112 PolarHBondContact O-OG1 3.48Å; T112-M115 PolarHBondContact O-N 3.08Å; T112-G116 PolarHBondContact O-N 2.96Å; T112-L222 HydrophobicContact CG2-CB 4.15Å; T112-L222 HydrophobicContact CG2-CD1 4.15Å
113V83.9Confident80.9Confident16 Ų1662.8 Ų62.810%0.09732%0.322CS..Hα-helixtrans-64.3-47.5178.3173.10000111.3W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.08Å; W109-V113 HydrophobicContact CH2-CG2 4.34Å; W109-V113 HydrophobicContact CZ2-CG2 3.89Å; W109-V113 WeakPolarHBondContact O-CG2 3.3Å; W109-V113 PolarHBondContact O-N 3.48Å; A110-V113 PolarHBondContact O-N 2.93Å; V113-M115 VanDerWaalsContact C-N 3.29Å; V113-M115 PolarHBondContact O-N 2.82Å; V113-G116 PolarHBondContact O-N 3.32Å; V113-G116 VanDerWaalsContact O-N 3.16Å; V113-F117 HydrophobicContact CG1-CD2 3.64Å; V113-F117 HydrophobicContact CG1-CE2 3.41Å; V113-F117 VanDerWaalsContact CG1-CE2 3.41Å; V113-F117 VanDerWaalsContact O-CD2 3.22Å; V113-F117 WeakPolarHBondContact O-CD2 3.48Å; V113-F117 PolarHBondContact O-N 3.06Å
114I85Confident79.7Confident100 Ų10060.3 Ų60.351%0.51330%0.3SS..Hα-helixtrans-61.4-39.8177.2-68.1163.9000110.7A110 G116 F117 R118A110-I114 VanDerWaalsContact O-CB 3.31Å; A110-I114 WeakPolarHBondContact O-CB 3.34Å; A110-I114 WeakPolarHBondContact O-CD1 3.4Å; A110-I114 WeakPolarHBondContact O-CG1 3.41Å; A110-I114 PolarHBondContact O-N 3.45Å; I114-G116 VanDerWaalsContact C-N 3.35Å; I114-F117 PolarHBondContact O-N 3.47Å; I114-R118 HydrophobicContact CG2-CG 4.41Å; I114-R118 WeakPolarHBondContact O-CB 3.43Å; I114-R118 VanDerWaalsContact O-CG 3.3Å; I114-R118 WeakPolarHBondContact O-CG 3.49Å; I114-R118 PolarHBondContact O-N 3.1Å
115M82.4Confident78.7Confident55 Ų5563.5 Ų63.527%0.27132%0.317SS..Hα-helixtrans-65.2-38.5176.4-173.261.3-176.900112.1G111 T112 V113 R118 S119G111-M115 VanDerWaalsContact O-CB 3.3Å; G111-M115 WeakPolarHBondContact O-CB 3.3Å; G111-M115 PolarHBondContact O-N 3.33Å; T112-M115 PolarHBondContact O-N 3.08Å; V113-M115 VanDerWaalsContact C-N 3.29Å; V113-M115 PolarHBondContact O-N 2.82Å; M115-R118 PolarHBondContact O-N 2.84Å; M115-S119 WeakPolarHBondContact O-CB 3.32Å; M115-S119 PolarHBondContact O-N 2.94Å; M115-S119 PolarHBondContact O-OG 3.28Å
116G78.8Confident77.5Confident0 Ų066 Ų660%034%0.337CS..Hα-helixtrans-60.8-51.4173.400000112.2T112 V113 I114 R118 S119 K120 N225T112-G116 PolarHBondContact O-N 2.96Å; V113-G116 PolarHBondContact O-N 3.32Å; V113-G116 VanDerWaalsContact O-N 3.16Å; I114-G116 VanDerWaalsContact C-N 3.35Å; G116-R118 VanDerWaalsContact C-N 3.3Å; G116-R118 PolarHBondContact O-N 2.9Å; G116-S119 PolarHBondContact O-N 2.89Å; G116-S119 PolarHBondContact O-OG 3.15Å; G116-K120 CarbonylContact O-C 3.52Å; G116-K120 PolarHBondContact O-N 2.71Å; G116-N225 VanDerWaalsContact CA-O 3.31Å; G116-N225 WeakPolarHBondContact CA-O 3.13Å
117F79.4Confident76.4Confident85 Ų8567.5 Ų67.537%0.37334%0.343SS..Hα-helixtrans-60.3-38.6176.5-79-65.6000112.2V113 I114 I121 L125V113-F117 HydrophobicContact CG1-CD2 3.64Å; V113-F117 HydrophobicContact CG1-CE2 3.41Å; V113-F117 VanDerWaalsContact CG1-CE2 3.41Å; V113-F117 VanDerWaalsContact O-CD2 3.22Å; V113-F117 WeakPolarHBondContact O-CD2 3.48Å; V113-F117 PolarHBondContact O-N 3.06Å; I114-F117 PolarHBondContact O-N 3.47Å; F117-I121 WeakPolarHBondContact O-CG1 3.16Å; F117-L125 HydrophobicContact CD1-CD1 4.28Å; F117-L125 HydrophobicContact CE1-CD1 3.86Å
118R77.9Confident75.1Confident204 Ų20465.6 Ų65.677%0.7733%0.326SS*.Hα-helixtrans-71.9-34.8178.8-73.2179.869.7-166.61.9113.5I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.41Å; I114-R118 WeakPolarHBondContact O-CB 3.43Å; I114-R118 VanDerWaalsContact O-CG 3.3Å; I114-R118 WeakPolarHBondContact O-CG 3.49Å; I114-R118 PolarHBondContact O-N 3.1Å; M115-R118 PolarHBondContact O-N 2.84Å; G116-R118 VanDerWaalsContact C-N 3.3Å; G116-R118 PolarHBondContact O-N 2.9Å
119S70.2Confident73.9Confident40 Ų4067.6 Ų67.628%0.2834%0.337SS..Hα-helixtrans-89.9-39.6-172.468.80000113.5M115 G116 N225M115-S119 WeakPolarHBondContact O-CB 3.32Å; M115-S119 PolarHBondContact O-N 2.94Å; M115-S119 PolarHBondContact O-OG 3.28Å; G116-S119 PolarHBondContact O-N 2.89Å; G116-S119 PolarHBondContact O-OG 3.15Å; S119-N225 PolarHBondContact OG-O 3.4Å
120K70.9Confident72.7Confident86 Ų8668.9 Ų68.937%0.37435%0.351SS..  trans-147.576.5-177.3-67175.1-178.7160.30111.2G116 K122 N123 T124 T226G116-K120 CarbonylContact O-C 3.52Å; G116-K120 PolarHBondContact O-N 2.71Å; K120-K122 VanDerWaalsContact C-N 3.29Å; K120-K122 PolarHBondContact O-N 3.42Å; K120-N123 HydrophobicContact CB-CB 3.9Å; K120-N123 HydrophobicContact CD-CB 4.22Å; K120-N123 PolarHBondContact O-N 3.23Å; K120-T124 WeakPolarHBondContact O-CG2 3.49Å; K120-T124 PolarHBondContact O-N 3.39Å; K120-T124 PolarHBondContact O-OG1 3.3Å; K120-T226 WeakPolarHBondContact CE-O 3.2Å; K120-T226 PolarHBondContact NZ-O 3.45Å; K120-T226 PolarHBondContact NZ-OXT 3.24Å
121I65.6Low71.6Confident108 Ų10877.2 Ų77.255%0.55439%0.385SS*.Hα-helixtrans-52-47.3175.9-60.4170.9000111.3F117 N123 T124 L125F117-I121 WeakPolarHBondContact O-CG1 3.16Å; I121-N123 PolarHBondContact O-N 3.45Å; I121-T124 PolarHBondContact O-OG1 3.48Å; I121-L125 HydrophobicContact CG2-CD1 3.7Å; I121-L125 WeakPolarHBondContact O-CD1 3.46Å; I121-L125 PolarHBondContact O-N 3.24Å
122K63.9Low70.4Confident188 Ų18880.2 Ų80.282%0.81742%0.415SS*.Hα-helixtrans-68-37.6-175.7-65.3-175.9180-177.50113.3K120 A126K120-K122 VanDerWaalsContact C-N 3.29Å; K120-K122 PolarHBondContact O-N 3.42Å; K122-A126 VanDerWaalsContact O-CB 3.25Å; K122-A126 WeakPolarHBondContact O-CB 3.41Å; K122-A126 PolarHBondContact O-N 3.37Å
123N68.2Low69.8Low73 Ų7381.9 Ų81.939%0.3943%0.426SS..Hα-helixtrans-76.4-38.4-178.4-161.363.4000111.7K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.9Å; K120-N123 HydrophobicContact CD-CB 4.22Å; K120-N123 PolarHBondContact O-N 3.23Å; I121-N123 PolarHBondContact O-N 3.45Å; N123-A126 PolarHBondContact O-N 2.68Å; N123-H127 PolarHBondContact O-CD2 2.92Å; N123-H127 PolarHBondContact O-N 3.42Å
124T64.7Low69.4Low12 Ų1284.7 Ų84.77%0.07444%0.444CS..Hα-helixtrans-65.6-41175.647.40000111.9K120 I121 H127K120-T124 WeakPolarHBondContact O-CG2 3.49Å; K120-T124 PolarHBondContact O-N 3.39Å; K120-T124 PolarHBondContact O-OG1 3.3Å; I121-T124 PolarHBondContact O-OG1 3.48Å; T124-H127 PolarHBondContact O-N 3.23Å
125L63.8Low68.9Low92 Ų9285.6 Ų85.648%0.48246%0.455SS..Hα-helixtrans-68.9-32.7172.3-85.191.1000113F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.28Å; F117-L125 HydrophobicContact CE1-CD1 3.86Å; I121-L125 HydrophobicContact CG2-CD1 3.7Å; I121-L125 WeakPolarHBondContact O-CD1 3.46Å; I121-L125 PolarHBondContact O-N 3.24Å; L125-H127 VanDerWaalsContact C-N 3.31Å; L125-H127 PolarHBondContact O-N 3.47Å; L125-F128 WeakPolarHBondContact O-CB 3.4Å; L125-F128 PolarHBondContact O-N 3.05Å
126A62.2Low68.9Low54 Ų5488 Ų8845%0.44647%0.474SS..Hα-helixtrans-67.7-29.8176.200000112.6K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.25Å; K122-A126 WeakPolarHBondContact O-CB 3.41Å; K122-A126 PolarHBondContact O-N 3.37Å; N123-A126 PolarHBondContact O-N 2.68Å; A126-F128 PolarHBondContact O-N 3.14Å; A126-L129 PolarHBondContact O-N 2.87Å
127H65.2Low69Low115 Ų11592.9 Ų92.953%0.53250%0.5SS..THydrogen-bonded Turntrans-63.5-20.7174.1-94.2-74.8000113.9N123 T124 L125 L129N123-H127 PolarHBondContact O-CD2 2.92Å; N123-H127 PolarHBondContact O-N 3.42Å; T124-H127 PolarHBondContact O-N 3.23Å; L125-H127 VanDerWaalsContact C-N 3.31Å; L125-H127 PolarHBondContact O-N 3.47Å; H127-L129 PolarHBondContact O-N 3.49Å
128F62.9Low69Low38 Ų3891.1 Ų91.117%0.16749%0.494CS..THydrogen-bonded Turntrans-70.1-14.8173-67.6-56.7000113.4L125 A126 L141 E145 T146 L149L125-F128 WeakPolarHBondContact O-CB 3.4Å; L125-F128 PolarHBondContact O-N 3.05Å; A126-F128 PolarHBondContact O-N 3.14Å; F128-L141 WeakPolarHBondContact O-CD2 3.28Å; F128-E145 HydrophobicContact CD1-CB 4.26Å; F128-E145 HydrophobicContact CD1-CG 3.85Å; F128-T146 HydrophobicContact CD1-CG2 4.34Å; F128-T146 HydrophobicContact CE1-CG2 4.18Å; F128-L149 HydrophobicContact CE1-CD1 4.34Å
129L63.7Low69.1Low62 Ų6285.5 Ų85.533%0.32548%0.484SS..SBendtrans-121.2115176.1-102.175.1000111A126 H127 Q131 I138 V142A126-L129 PolarHBondContact O-N 2.87Å; H127-L129 PolarHBondContact O-N 3.49Å; L129-Q131 PolarHBondContact O-N 2.89Å; L129-I138 HydrophobicContact CD1-CG2 4.03Å; L129-I138 HydrophobicContact CD2-CD1 4.27Å; L129-I138 HydrophobicContact CD2-CG1 4.38Å; L129-I138 HydrophobicContact CD2-CG2 3.8Å; L129-I138 HydrophobicContact CG-CG2 4.19Å; L129-V142 HydrophobicContact CD1-CG2 3.3Å
130P61.1Low69.7Low70 Ų7089.1 Ų89.146%0.45550%0.498SS..  trans-63.2136.5164.718.8-19000109.5G132 T133 L141P130-G132 PolarHBondContact O-N 3.22Å; P130-T133 HydrophobicContact CB-CG2 4.42Å; P130-T133 HydrophobicContact CG-CG2 3.74Å; P130-T133 WeakPolarHBondContact O-CG2 3.38Å; P130-T133 PolarHBondContact O-OG1 3.26Å; P130-L141 HydrophobicContact CG-CD1 3.78Å; P130-L141 HydrophobicContact CG-CD2 3.98Å
131Q62.3Low70.4Confident202 Ų20287.3 Ų87.394%0.94449%0.492SS*.THydrogen-bonded Turntrans-63.9130.9-179-63.5-172.5-4.100110.1L129L129-Q131 PolarHBondContact O-N 2.89Å
132G62.6Low71.2Confident83 Ų8384.4 Ų84.486%0.85648%0.479SS*.THydrogen-bonded Turntrans94.315.8177.400000115.8P130P130-G132 PolarHBondContact O-N 3.22Å
133T71.7Confident72.2Confident37 Ų3779.8 Ų79.823%0.22746%0.462CS..  trans-74.7136175.4450000112.2P130 L141P130-T133 HydrophobicContact CB-CG2 4.42Å; P130-T133 HydrophobicContact CG-CG2 3.74Å; P130-T133 WeakPolarHBondContact O-CG2 3.38Å; P130-T133 PolarHBondContact O-OG1 3.26Å; T133-L141 HydrophobicContact CG2-CD1 3.92Å
134P74.6Confident73Confident74 Ų7480.7 Ų80.748%0.48147%0.466SS..  trans-68138.8177.728.8-34.6000110.5P136 L137P134-P136 VanDerWaalsContact C-N 3.34Å; P134-P136 WeakPolarHBondContact O-CD 3.38Å; P134-P136 VanDerWaalsContact O-N 3.09Å; P134-L137 HydrophobicContact CG-CB 4.38Å; P134-L137 HydrophobicContact CG-CD1 3.72Å; P134-L137 HydrophobicContact CG-CG 4.18Å; P134-L137 PolarHBondContact O-N 3.45Å
135T75.9Confident74Confident120 Ų12083.7 Ų83.774%0.73648%0.479SS*.THydrogen-bonded Turntrans-48.6-35.2-17251.50000116.9
136P82.4Confident74.8Confident104 Ų10481.9 Ų81.968%0.67547%0.472SS*.THydrogen-bonded Turntrans-75-23178.627.2-35.1000114.8P134P134-P136 VanDerWaalsContact C-N 3.34Å; P134-P136 WeakPolarHBondContact O-CD 3.38Å; P134-P136 VanDerWaalsContact O-N 3.09Å
137L80.1Confident75.9Confident104 Ų10483.3 Ų83.355%0.54547%0.471SS..THydrogen-bonded Turntrans-87.8-11.7-176.9-66.2177.8000113.3P134 M140 L141P134-L137 HydrophobicContact CG-CB 4.38Å; P134-L137 HydrophobicContact CG-CD1 3.72Å; P134-L137 HydrophobicContact CG-CG 4.18Å; P134-L137 PolarHBondContact O-N 3.45Å; L137-M140 PolarHBondContact O-N 3.29Å; L137-L141 PolarHBondContact O-N 3.46Å; L137-L141 VanDerWaalsContact O-N 3.13Å
138I79.6Confident76.9Confident48 Ų4880.2 Ų80.225%0.24646%0.463CS..Hα-helixtrans-55.7-48.6-175.8-64176.7000112.6L129 M140 L141 V142L129-I138 HydrophobicContact CD1-CG2 4.03Å; L129-I138 HydrophobicContact CD2-CD1 4.27Å; L129-I138 HydrophobicContact CD2-CG1 4.38Å; L129-I138 HydrophobicContact CD2-CG2 3.8Å; L129-I138 HydrophobicContact CG-CG2 4.19Å; I138-M140 VanDerWaalsContact C-N 3.32Å; I138-M140 PolarHBondContact O-N 3.31Å; I138-L141 PolarHBondContact O-N 3.26Å; I138-V142 HydrophobicContact CG2-CG2 4.44Å; I138-V142 WeakPolarHBondContact O-CG2 3.29Å; I138-V142 PolarHBondContact O-N 3.12Å; I138-V142 VanDerWaalsContact O-N 3.14Å
139P79.8Confident77.8Confident85 Ų8580.5 Ų80.555%0.55247%0.466SS*.Hα-helixtrans-64.1-37.1-175.7-21.233.7000112.9I143P139-I143 WeakPolarHBondContact O-CG1 3.37Å; P139-I143 PolarHBondContact O-N 3.21Å
140M83.4Confident78.8Confident116 Ų11682.7 Ų82.757%0.57148%0.477SS*.Hα-helixtrans-69.6-40.9178.9-173.763.7-172.400111.5L137 I138 I143 I144L137-M140 PolarHBondContact O-N 3.29Å; I138-M140 VanDerWaalsContact C-N 3.32Å; I138-M140 PolarHBondContact O-N 3.31Å; M140-I143 PolarHBondContact O-N 3.3Å; M140-I144 HydrophobicContact CE-CD1 3.98Å; M140-I144 HydrophobicContact CE-CG1 4.21Å; M140-I144 HydrophobicContact CG-CD1 4.15Å; M140-I144 WeakPolarHBondContact O-CG1 3.37Å; M140-I144 PolarHBondContact O-N 3Å; M140-I144 VanDerWaalsContact O-N 3.15Å
141L85Confident79.9Confident48 Ų4884 Ų8425%0.25148%0.48SS..Hα-helixtrans-66.6-40.8-178.3-168150.5000112F128 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 3.28Å; P130-L141 HydrophobicContact CG-CD1 3.78Å; P130-L141 HydrophobicContact CG-CD2 3.98Å; T133-L141 HydrophobicContact CG2-CD1 3.92Å; L137-L141 PolarHBondContact O-N 3.46Å; L137-L141 VanDerWaalsContact O-N 3.13Å; I138-L141 PolarHBondContact O-N 3.26Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 2.72Å; L141-I144 PolarHBondContact O-N 3.49Å; L141-E145 PolarHBondContact O-N 3.33Å
142V81.8Confident80.9Confident47 Ų4777.5 Ų77.529%0.28545%0.449SS..Hα-helixtrans-58.2-43.7175.7174.30000110.9L129 I138 I144 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.3Å; I138-V142 HydrophobicContact CG2-CG2 4.44Å; I138-V142 WeakPolarHBondContact O-CG2 3.29Å; I138-V142 PolarHBondContact O-N 3.12Å; I138-V142 VanDerWaalsContact O-N 3.14Å; V142-I144 PolarHBondContact O-N 3.01Å; V142-E145 PolarHBondContact O-N 3.4Å; V142-T146 HydrophobicContact CG1-CG2 4.32Å; V142-T146 VanDerWaalsContact O-CG2 3.25Å; V142-T146 WeakPolarHBondContact O-CG2 3.49Å; V142-T146 PolarHBondContact O-N 3Å; V142-T146 PolarHBondContact O-OG1 2.77Å
143I85.1Confident81.8Confident91 Ų9174 Ų7447%0.46741%0.411SS..Hα-helixtrans-61.1-47178-66166.9000110.3P139 M140 L141 E145 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.37Å; P139-I143 PolarHBondContact O-N 3.21Å; M140-I143 PolarHBondContact O-N 3.3Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 2.72Å; I143-E145 PolarHBondContact O-N 3.21Å; I143-T146 PolarHBondContact O-N 3.17Å; I143-T146 PolarHBondContact O-OG1 3Å; I143-I147 HydrophobicContact CG2-CD1 3.79Å; I143-I147 VanDerWaalsContact O-CG1 3.29Å; I143-I147 WeakPolarHBondContact O-CG1 3.32Å; I143-I147 PolarHBondContact O-N 3.5Å
144I85.9Confident82.4Confident93 Ų9376 Ų7648%0.47742%0.419SS..Hα-helixtrans-62.5-43.6179.6-64166.1000111.2M140 L141 V142 I147 S148M140-I144 HydrophobicContact CE-CD1 3.98Å; M140-I144 HydrophobicContact CE-CG1 4.21Å; M140-I144 HydrophobicContact CG-CD1 4.15Å; M140-I144 WeakPolarHBondContact O-CG1 3.37Å; M140-I144 PolarHBondContact O-N 3Å; M140-I144 VanDerWaalsContact O-N 3.15Å; L141-I144 PolarHBondContact O-N 3.49Å; V142-I144 PolarHBondContact O-N 3.01Å; I144-I147 PolarHBondContact O-N 3.38Å; I144-S148 WeakPolarHBondContact O-CB 3.43Å; I144-S148 PolarHBondContact O-N 3.31Å
145E84.4Confident82.9Confident74 Ų7474.5 Ų74.535%0.34641%0.413SS..Hα-helixtrans-67.1-39.7-179-165.159.5-148.900111.6F128 L141 V142 I143 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.26Å; F128-E145 HydrophobicContact CD1-CG 3.85Å; L141-E145 PolarHBondContact O-N 3.33Å; V142-E145 PolarHBondContact O-N 3.4Å; I143-E145 PolarHBondContact O-N 3.21Å; E145-I147 VanDerWaalsContact C-N 3.32Å; E145-I147 PolarHBondContact O-N 2.92Å; E145-S148 WeakPolarHBondContact O-CB 3.4Å; E145-S148 PolarHBondContact O-N 2.91Å; E145-L149 WeakPolarHBondContact O-CB 3.27Å; E145-L149 PolarHBondContact O-N 2.94Å
146T81.5Confident83.1Confident54 Ų5469 Ų6933%0.33138%0.379SS..Hα-helixtrans-62.6-38.3173.959.60000112.4F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.34Å; F128-T146 HydrophobicContact CE1-CG2 4.18Å; V142-T146 HydrophobicContact CG1-CG2 4.32Å; V142-T146 VanDerWaalsContact O-CG2 3.25Å; V142-T146 WeakPolarHBondContact O-CG2 3.49Å; V142-T146 PolarHBondContact O-N 3Å; V142-T146 PolarHBondContact O-OG1 2.77Å; I143-T146 PolarHBondContact O-N 3.17Å; I143-T146 PolarHBondContact O-OG1 3Å; T146-L150 WeakPolarHBondContact O-CG 3.38Å; T146-L150 PolarHBondContact O-N 3.48Å
147I85.9Confident83.2Confident84 Ų8464.1 Ų64.143%0.43135%0.347SS..Hα-helixtrans-68.1-43.1175-67.6166.8000110.7I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.79Å; I143-I147 VanDerWaalsContact O-CG1 3.29Å; I143-I147 WeakPolarHBondContact O-CG1 3.32Å; I143-I147 PolarHBondContact O-N 3.5Å; I144-I147 PolarHBondContact O-N 3.38Å; E145-I147 VanDerWaalsContact C-N 3.32Å; E145-I147 PolarHBondContact O-N 2.92Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 2.98Å; I147-L150 PolarHBondContact O-N 3.25Å; I147-L150 VanDerWaalsContact O-N 3.15Å; I147-I151 HydrophobicContact CG2-CD1 3.49Å; I147-I151 VanDerWaalsContact CG2-CD1 3.49Å; I147-I151 HydrophobicContact CG2-CG1 4.14Å; I147-I151 WeakPolarHBondContact O-CG1 3.28Å; I147-I151 PolarHBondContact O-N 3.34Å
148S84.3Confident83.6Confident51 Ų5162 Ų6236%0.35734%0.339SS..Hα-helixtrans-57.5-46.1177.5-177.30000111.8I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.43Å; I144-S148 PolarHBondContact O-N 3.31Å; E145-S148 WeakPolarHBondContact O-CB 3.4Å; E145-S148 PolarHBondContact O-N 2.91Å; S148-L150 VanDerWaalsContact C-N 3.3Å; S148-L150 PolarHBondContact O-N 3.07Å; S148-I151 PolarHBondContact O-N 2.97Å; S148-Q152 PolarHBondContact O-N 2.87Å
149L83.4Confident83.9Confident43 Ų4364.4 Ų64.423%0.22534%0.344CS..Hα-helixtrans-60.5-36.9177-174.6119.6000112.3W109 F128 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.21Å; W109-L149 HydrophobicContact CZ2-CD2 3.49Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.49Å; W109-L149 HydrophobicContact CZ2-CG 3.93Å; W109-L149 WeakPolarHBondContact CZ2-O 2.97Å; W109-L149 PolarHBondContact NE1-O 3.43Å; W109-L149 VanDerWaalsContact NE1-O 3.13Å; F128-L149 HydrophobicContact CE1-CD1 4.34Å; E145-L149 WeakPolarHBondContact O-CB 3.27Å; E145-L149 PolarHBondContact O-N 2.94Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 2.98Å; L149-P153 WeakPolarHBondContact O-CD 3.31Å
150L83.1Confident84.1Confident108 Ų10860.4 Ų60.457%0.56532%0.318SS*.Hα-helixtrans-77.5-33.6177.5-71.7173.8000113.7W109 T146 I147 S148 P153W109-L150 HydrophobicContact CH2-CD2 3.71Å; W109-L150 HydrophobicContact CZ2-CD2 4.17Å; T146-L150 WeakPolarHBondContact O-CG 3.38Å; T146-L150 PolarHBondContact O-N 3.48Å; I147-L150 PolarHBondContact O-N 3.25Å; I147-L150 VanDerWaalsContact O-N 3.15Å; S148-L150 VanDerWaalsContact C-N 3.3Å; S148-L150 PolarHBondContact O-N 3.07Å; L150-P153 WeakPolarHBondContact O-CD 3.32Å; L150-P153 WeakPolarHBondContact O-CG 3.04Å
151I85.8Confident84.2Confident98 Ų9855.5 Ų55.550%0.50330%0.295SS..Hα-helixtrans-73.1-30.5-179.4-70172.8000111.3I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.49Å; I147-I151 VanDerWaalsContact CG2-CD1 3.49Å; I147-I151 HydrophobicContact CG2-CG1 4.14Å; I147-I151 WeakPolarHBondContact O-CG1 3.28Å; I147-I151 PolarHBondContact O-N 3.34Å; S148-I151 PolarHBondContact O-N 2.97Å; I151-M154 WeakPolarHBondContact O-CB 3.21Å; I151-M154 PolarHBondContact O-N 3.45Å; I151-M154 VanDerWaalsContact O-N 3.14Å; I151-A155 HydrophobicContact CG2-CB 4.38Å; I151-A155 WeakPolarHBondContact O-CB 3.13Å; I151-A155 PolarHBondContact O-N 3.07Å
152Q83.6Confident84.2Confident65 Ų6555.2 Ų55.230%0.30430%0.3SS..Hα-helixtrans-49.7-54.5-178.3-104.8175.7-7.900116.3S148 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 2.87Å; Q152-M154 VanDerWaalsContact C-N 3.26Å; Q152-M154 PolarHBondContact O-N 2.91Å; Q152-A155 PolarHBondContact O-N 3.33Å; Q152-L156 WeakPolarHBondContact O-CB 3.46Å; Q152-L156 PolarHBondContact O-N 3.46Å; Q152-Y221 HydrophobicContact CG-CE1 4.33Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.49Å; Q152-Y221 PolarHBondContact NE2-OH 3.47Å; Q152-Y221 VanDerWaalsContact OE1-CZ 3.25Å; Q152-Y221 PolarHBondContact OE1-OH 3Å
153P79.8Confident84.5Confident10 Ų1055.9 Ų55.97%0.06530%0.301CS..Hα-helixtrans-64.2-34.5179.823.8-34.3000111.9W109 L149 L150 A157W109-P153 HydrophobicContact CB-CB 3.85Å; W109-P153 HydrophobicContact CB-CG 4.32Å; W109-P153 HydrophobicContact CD2-CB 4.31Å; W109-P153 HydrophobicContact CD2-CG 3.79Å; W109-P153 HydrophobicContact CE3-CG 4.32Å; W109-P153 HydrophobicContact CG-CB 3.82Å; W109-P153 HydrophobicContact CG-CG 3.76Å; L149-P153 WeakPolarHBondContact O-CD 3.31Å; L150-P153 WeakPolarHBondContact O-CD 3.32Å; L150-P153 WeakPolarHBondContact O-CG 3.04Å; P153-A157 PolarHBondContact O-N 3.37Å; P153-A157 VanDerWaalsContact O-N 3.13Å
154M84.6Confident84.5Confident80 Ų8051.9 Ų51.939%0.39428%0.281SS..Hα-helixtrans-66.9-46.6175.6-170.564.9-17800111.1L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD2-CE 4.18Å; L102-M154 HydrophobicContact CD1-SD 3.45Å; L102-M154 WeakPolarHBondContact CD1-SD 3.27Å; L102-M154 HydrophobicContact CD2-SD 4.38Å; I151-M154 WeakPolarHBondContact O-CB 3.21Å; I151-M154 PolarHBondContact O-N 3.45Å; I151-M154 VanDerWaalsContact O-N 3.14Å; Q152-M154 VanDerWaalsContact C-N 3.26Å; Q152-M154 PolarHBondContact O-N 2.91Å; M154-L156 VanDerWaalsContact C-N 3.28Å; M154-L156 PolarHBondContact O-N 2.91Å; M154-A157 PolarHBondContact O-N 2.94Å; M154-V158 HydrophobicContact CE-CG2 4.08Å; M154-V158 HydrophobicContact CG-CG2 4.44Å; M154-V158 WeakPolarHBondContact O-CB 3.48Å; M154-V158 VanDerWaalsContact O-CG2 3.29Å; M154-V158 WeakPolarHBondContact O-CG2 3.15Å; M154-V158 PolarHBondContact O-N 3.3Å
155A85.3Confident84.6Confident41 Ų4149.2 Ų49.234%0.33927%0.269SS..Hα-helixtrans-61.4-37.3178.200000112I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.38Å; I151-A155 WeakPolarHBondContact O-CB 3.13Å; I151-A155 PolarHBondContact O-N 3.07Å; Q152-A155 PolarHBondContact O-N 3.33Å; A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.38Å; A155-R159 PolarHBondContact O-N 3.48Å
156L80.9Confident84.8Confident6 Ų648.2 Ų48.23%0.03127%0.274CS..Hα-helixtrans-63.4-48.1175.3-166.580.3000111.9Q152 M154 R159 L160 F214 L217 V218Q152-L156 WeakPolarHBondContact O-CB 3.46Å; Q152-L156 PolarHBondContact O-N 3.46Å; M154-L156 VanDerWaalsContact C-N 3.28Å; M154-L156 PolarHBondContact O-N 2.91Å; L156-R159 PolarHBondContact O-N 3Å; L156-L160 PolarHBondContact O-N 3.49Å; L156-F214 HydrophobicContact CD1-CD2 4.08Å; L156-F214 HydrophobicContact CD1-CG 4.44Å; L156-F214 HydrophobicContact CD2-CD1 4.13Å; L156-F214 HydrophobicContact CD2-CD2 3.27Å; L156-F214 HydrophobicContact CD2-CE1 4.02Å; L156-F214 HydrophobicContact CD2-CE2 3.14Å; L156-F214 HydrophobicContact CD2-CG 3.77Å; L156-F214 HydrophobicContact CD2-CZ 3.54Å; L156-F214 HydrophobicContact CG-CD2 3.39Å; L156-F214 HydrophobicContact CG-CE2 3.59Å; L156-F214 HydrophobicContact CG-CG 4.13Å; L156-F214 HydrophobicContact CG-CZ 4.45Å; L156-L217 HydrophobicContact CD1-CB 4.11Å; L156-L217 HydrophobicContact CD1-CD1 3.42Å; L156-L217 VanDerWaalsContact CD1-CD1 3.42Å; L156-L217 HydrophobicContact CD1-CG 4.39Å; L156-V218 HydrophobicContact CD2-CG2 4.32Å
157A84.1Confident85.1Confident0 Ų046 Ų460%026%0.261CS..Hα-helixtrans-63.5-45.1179.200000112L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.35Å; N101-A157 HydrophobicContact CB-CB 3.94Å; N101-A157 PolarHBondContact ND2-O 2.96Å; L102-A157 HydrophobicContact CB-CB 4.43Å; L102-A157 HydrophobicContact CD1-CB 4.03Å; A105-A157 HydrophobicContact CB-CB 4.2Å; P153-A157 PolarHBondContact O-N 3.37Å; P153-A157 VanDerWaalsContact O-N 3.13Å; M154-A157 PolarHBondContact O-N 2.94Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.2Å; A157-L160 PolarHBondContact O-N 3.16Å; A157-T161 PolarHBondContact O-N 3.03Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 3.42Å
158V87.6Confident85.2Confident61 Ų6143.5 Ų43.537%0.3725%0.247SC..Hα-helixtrans-63.9-38.2177.8172.60000111.4L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.91Å; M154-V158 HydrophobicContact CE-CG2 4.08Å; M154-V158 HydrophobicContact CG-CG2 4.44Å; M154-V158 WeakPolarHBondContact O-CB 3.48Å; M154-V158 VanDerWaalsContact O-CG2 3.29Å; M154-V158 WeakPolarHBondContact O-CG2 3.15Å; M154-V158 PolarHBondContact O-N 3.3Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 2.84Å; V158-T161 WeakPolarHBondContact CA-OG1 3.24Å; V158-T161 PolarHBondContact O-N 3.35Å; V158-T161 PolarHBondContact O-OG1 3.4Å; V158-A162 WeakPolarHBondContact O-CB 3.43Å; V158-A162 PolarHBondContact O-N 3.11Å
159R87.6Confident85.4Confident98 Ų9843 Ų4337%0.3724%0.241SC..Hα-helixtrans-61.1-42.5177.5-168.8-172.9-60.2158.12.3111.7A155 L156 A157 N163 Q210A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.38Å; A155-R159 PolarHBondContact O-N 3.48Å; L156-R159 PolarHBondContact O-N 3Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.2Å; R159-N163 WeakPolarHBondContact O-CB 3.13Å; R159-N163 VanDerWaalsContact O-CG 3.28Å; R159-N163 PolarHBondContact O-N 2.96Å; R159-N163 PolarHBondContact O-ND2 2.87Å; R159-Q210 VanDerWaalsContact C-NE2 3.27Å; R159-Q210 VanDerWaalsContact CG-NE2 3.32Å
160L82.3Confident85.7Confident0 Ų044.8 Ų44.80%025%0.25CC..Hα-helixtrans-67.6-44179.7-179.669.2000110.8I79 N83 N101 L156 A157 V158 I164 Q210 F214I79-L160 HydrophobicContact CG2-CD1 3.97Å; I79-L160 HydrophobicContact CG2-CD2 4.19Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.18Å; N101-L160 HydrophobicContact CB-CD2 4.26Å; N101-L160 VanDerWaalsContact CG-CD2 3.4Å; N101-L160 WeakPolarHBondContact ND2-CB 3.2Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.32Å; N101-L160 VanDerWaalsContact ND2-CG 3.3Å; N101-L160 WeakPolarHBondContact ND2-CG 3.07Å; N101-L160 VanDerWaalsContact OD1-CD2 3.32Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.39Å; L156-L160 PolarHBondContact O-N 3.49Å; A157-L160 PolarHBondContact O-N 3.16Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 2.84Å; L160-I164 HydrophobicContact CD1-CD1 3.78Å; L160-I164 HydrophobicContact CG-CD1 4.21Å; L160-I164 WeakPolarHBondContact O-CD1 3.44Å; L160-I164 WeakPolarHBondContact O-CG1 3.27Å; L160-I164 PolarHBondContact O-N 3.49Å; L160-Q210 VanDerWaalsContact CA-NE2 3.26Å; L160-Q210 HydrophobicContact CB-CG 4.27Å; L160-Q210 HydrophobicContact CD1-CB 4.36Å; L160-Q210 HydrophobicContact CD1-CG 3.39Å; L160-Q210 HydrophobicContact CG-CG 4.42Å; L160-F214 HydrophobicContact CD2-CD2 4.49Å
161T85.7Confident86.1Confident14 Ų1441.1 Ų41.19%0.08623%0.23CC..Hα-helixtrans-66.2-47.4177.149.70000112.2T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.45Å; L98-T161 VanDerWaalsContact CA-CG2 3.43Å; L98-T161 HydrophobicContact CB-CG2 4.01Å; L98-T161 HydrophobicContact CD1-CG2 3.98Å; N101-T161 HydrophobicContact CB-CG2 4.26Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.38Å; N101-T161 PolarHBondContact ND2-N 2.89Å; A157-T161 PolarHBondContact O-N 3.03Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 3.42Å; V158-T161 WeakPolarHBondContact CA-OG1 3.24Å; V158-T161 PolarHBondContact O-N 3.35Å; V158-T161 PolarHBondContact O-OG1 3.4Å; T161-N163 PolarHBondContact O-N 3.04Å; T161-I164 PolarHBondContact O-N 3.26Å; T161-T165 VanDerWaalsContact O-CB 3.3Å; T161-T165 WeakPolarHBondContact O-CB 3.32Å; T161-T165 WeakPolarHBondContact O-CG2 3.06Å; T161-T165 PolarHBondContact O-N 3.33Å; T161-T165 PolarHBondContact O-OG1 2.95Å
162A85.3Confident86.2Confident42 Ų4240.5 Ų40.535%0.34723%0.225SC..Hα-helixtrans-61.9-45.5-172.600000111V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.43Å; V158-A162 PolarHBondContact O-N 3.11Å; A162-T165 WeakPolarHBondContact CA-OG1 3.32Å; A162-T165 PolarHBondContact O-OG1 2.84Å; A162-T165 VanDerWaalsContact O-OG1 3.1Å; A162-A166 WeakPolarHBondContact O-CB 3.44Å; A162-A166 PolarHBondContact O-N 3.18Å
163N88.4Confident86.6Confident60 Ų6041.7 Ų41.732%0.32123%0.233SC..Hα-helixtrans-62.7-48.9-179.7-69.2-6.5000111.6R159 T161 G167 V206R159-N163 WeakPolarHBondContact O-CB 3.13Å; R159-N163 VanDerWaalsContact O-CG 3.28Å; R159-N163 PolarHBondContact O-N 2.96Å; R159-N163 PolarHBondContact O-ND2 2.87Å; T161-N163 PolarHBondContact O-N 3.04Å; N163-G167 PolarHBondContact O-N 3.46Å; N163-V206 HydrophobicContact CB-CG1 4.06Å
164I85.4Confident87.1Confident7 Ų742.7 Ų42.74%0.03624%0.238CC..Hα-helixtrans-70.3-41.6-176.3-59.5171.8000111.4N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.35Å; N83-I164 VanDerWaalsContact CG-CD1 3.46Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.31Å; T93-I164 HydrophobicContact CG2-CG2 4.45Å; T95-I164 VanDerWaalsContact OG1-CD1 3.31Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.31Å; T96-I164 HydrophobicContact CG2-CB 4.37Å; T96-I164 HydrophobicContact CG2-CG2 3.65Å; L160-I164 HydrophobicContact CD1-CD1 3.78Å; L160-I164 HydrophobicContact CG-CD1 4.21Å; L160-I164 WeakPolarHBondContact O-CD1 3.44Å; L160-I164 WeakPolarHBondContact O-CG1 3.27Å; L160-I164 PolarHBondContact O-N 3.49Å; T161-I164 PolarHBondContact O-N 3.26Å; I164-H168 WeakPolarHBondContact O-CB 3.25Å; I164-H168 PolarHBondContact O-CD2 3.32Å; I164-H168 PolarHBondContact O-N 3.22Å
165T88.1Confident87.4Confident37 Ų3740 Ų4023%0.22723%0.231CC..Hα-helixtrans-64.8-46.4176.854.90000111.8F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.49Å; F9-T165 HydrophobicContact CE1-CG2 4.2Å; T96-T165 HydrophobicContact CG2-CG2 3.79Å; T161-T165 VanDerWaalsContact O-CB 3.3Å; T161-T165 WeakPolarHBondContact O-CB 3.32Å; T161-T165 WeakPolarHBondContact O-CG2 3.06Å; T161-T165 PolarHBondContact O-N 3.33Å; T161-T165 PolarHBondContact O-OG1 2.95Å; A162-T165 WeakPolarHBondContact CA-OG1 3.32Å; A162-T165 PolarHBondContact O-OG1 2.84Å; A162-T165 VanDerWaalsContact O-OG1 3.1Å; T165-H168 PolarHBondContact O-N 3.07Å; T165-L169 WeakPolarHBondContact O-CB 3.34Å; T165-L169 WeakPolarHBondContact O-CG 3.48Å; T165-L169 PolarHBondContact O-N 2.7Å
166A87.5Confident87.6Confident54 Ų5440.9 Ų40.945%0.44623%0.234SC..Hα-helixtrans-64.7-43.317900000111.5A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.44Å; A162-A166 PolarHBondContact O-N 3.18Å; A166-L169 PolarHBondContact O-N 3.1Å; A166-L170 VanDerWaalsContact O-CB 3.24Å; A166-L170 WeakPolarHBondContact O-CB 3.5Å; A166-L170 PolarHBondContact O-N 3.26Å
167G88.5Confident87.9Confident6 Ų642.4 Ų42.46%0.06225%0.247CC..Hα-helixtrans-58.4-47.8175.800000112.5N163 L170 M171 E203N163-G167 PolarHBondContact O-N 3.46Å; G167-L170 PolarHBondContact O-N 2.98Å; G167-M171 WeakPolarHBondContact O-CB 3.34Å; G167-M171 WeakPolarHBondContact O-CG 3.38Å; G167-M171 PolarHBondContact O-N 3.43Å; G167-E203 WeakPolarHBondContact CA-OE2 3.39Å
168H87.9Confident88.2Confident32 Ų3243.5 Ų43.515%0.14825%0.254CS..Hα-helixtrans-63-43.5175.8-92.4-88.6000113.5F9 G86 I164 T165 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.07Å; F9-H168 HydrophobicContact CZ-CB 3.81Å; G86-H168 PolarHBondContact O-CE1 3.46Å; G86-H168 PolarHBondContact O-NE2 2.96Å; I164-H168 WeakPolarHBondContact O-CB 3.25Å; I164-H168 PolarHBondContact O-CD2 3.32Å; I164-H168 PolarHBondContact O-N 3.22Å; T165-H168 PolarHBondContact O-N 3.07Å; H168-L170 VanDerWaalsContact C-N 3.32Å; H168-L170 PolarHBondContact O-N 3.36Å; H168-M171 PolarHBondContact O-N 3.23Å; H168-H172 WeakPolarHBondContact O-CB 3.48Å; H168-H172 PolarHBondContact O-N 3.11Å
169L88.4Confident88.3Confident42 Ų4246.7 Ų46.722%0.2227%0.268CS..Hα-helixtrans-61.6-42.9175.9-78.3171000111.2F6 F9 T165 A166 H172 L173F6-L169 HydrophobicContact CD1-CD2 4.43Å; F6-L169 HydrophobicContact CE1-CD1 4.14Å; F6-L169 HydrophobicContact CE1-CD2 4.07Å; F6-L169 HydrophobicContact CZ-CD2 4.48Å; F9-L169 HydrophobicContact CE2-CD1 4.46Å; F9-L169 HydrophobicContact CE2-CD2 3.68Å; F9-L169 HydrophobicContact CE2-CG 3.76Å; F9-L169 HydrophobicContact CZ-CD2 4.31Å; F9-L169 HydrophobicContact CZ-CG 3.93Å; T165-L169 WeakPolarHBondContact O-CB 3.34Å; T165-L169 WeakPolarHBondContact O-CG 3.48Å; T165-L169 PolarHBondContact O-N 2.7Å; A166-L169 PolarHBondContact O-N 3.1Å; L169-H172 PolarHBondContact O-N 3Å; L169-L173 WeakPolarHBondContact O-CB 3.27Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.46Å; L169-L173 PolarHBondContact O-N 2.94Å
170L90.2Very high88.4Confident79 Ų7944.3 Ų44.341%0.41427%0.27SS..Hα-helixtrans-68.6-42.1-178.7-157.3161.2000111A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.24Å; A166-L170 WeakPolarHBondContact O-CB 3.5Å; A166-L170 PolarHBondContact O-N 3.26Å; G167-L170 PolarHBondContact O-N 2.98Å; H168-L170 VanDerWaalsContact C-N 3.32Å; H168-L170 PolarHBondContact O-N 3.36Å; L170-H172 VanDerWaalsContact C-N 3.32Å; L170-H172 PolarHBondContact O-N 3.09Å; L170-L173 PolarHBondContact O-N 3.27Å; L170-I174 HydrophobicContact CD2-CD1 3.37Å; L170-I174 HydrophobicContact CD2-CG1 3.97Å; L170-I174 WeakPolarHBondContact O-CG1 3.17Å; L170-I174 PolarHBondContact O-N 3.26Å; L170-L199 HydrophobicContact CB-CD2 4.4Å; L170-L199 HydrophobicContact CD1-CD1 4.46Å; L170-L199 HydrophobicContact CD2-CD1 3.42Å; L170-L199 VanDerWaalsContact CD2-CD1 3.42Å; L170-L199 HydrophobicContact CD2-CD2 3.34Å; L170-L199 HydrophobicContact CD2-CG 3.97Å; L170-L199 HydrophobicContact CG-CD1 4.49Å; L170-L199 HydrophobicContact CG-CD2 4.46Å
171M90.5Very high88.6Confident31 Ų3147.2 Ų47.215%0.15328%0.284CS..Hα-helixtrans-56.6-44.8170.8-79.7-173-67.200111.8L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 3.99Å; G167-M171 WeakPolarHBondContact O-CB 3.34Å; G167-M171 WeakPolarHBondContact O-CG 3.38Å; G167-M171 PolarHBondContact O-N 3.43Å; H168-M171 PolarHBondContact O-N 3.23Å; M171-G175 PolarHBondContact O-N 2.93Å; M171-L199 HydrophobicContact CB-CD2 4.22Å; M171-L199 HydrophobicContact CG-CD2 3.44Å; M171-L199 VanDerWaalsContact CG-CD2 3.44Å; M171-L199 HydrophobicContact CG-CG 4.45Å; M171-T200 HydrophobicContact SD-CG2 3.95Å; M171-E203 HydrophobicContact CE-CG 4.16Å
172H89.3Confident88.7Confident86 Ų8650 Ų5040%0.39831%0.305SS..Hα-helixtrans-67.9-41.5179.4-169.8-60.1000112.3L5 H168 L169 L170 G175 S176L5-H172 VanDerWaalsContact CD2-CE1 3.48Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.29Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.4Å; H168-H172 WeakPolarHBondContact O-CB 3.48Å; H168-H172 PolarHBondContact O-N 3.11Å; L169-H172 PolarHBondContact O-N 3Å; L170-H172 VanDerWaalsContact C-N 3.32Å; L170-H172 PolarHBondContact O-N 3.09Å; H172-G175 PolarHBondContact O-N 3.23Å; H172-S176 WeakPolarHBondContact O-CB 3.49Å; H172-S176 PolarHBondContact O-N 3Å; H172-S176 PolarHBondContact O-OG 3.42Å
173L90.2Very high88.8Confident90 Ų9053.8 Ų53.847%0.47132%0.323SS..Hα-helixtrans-63.8-48178.7-74.1172.1000111.2L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 4.19Å; L5-L173 HydrophobicContact CD2-CD2 4.21Å; L169-L173 WeakPolarHBondContact O-CB 3.27Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.46Å; L169-L173 PolarHBondContact O-N 2.94Å; L170-L173 PolarHBondContact O-N 3.27Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 2.75Å; L173-S176 PolarHBondContact O-N 3.33Å; L173-S176 PolarHBondContact O-OG 2.98Å; L173-A177 PolarHBondContact O-N 3.47Å
174I91.4Very high88.8Confident31 Ų3155.9 Ų55.916%0.15933%0.334CS..Hα-helixtrans-64.4-40.7176.4-64.5-175.5000110.6L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.37Å; L170-I174 HydrophobicContact CD2-CG1 3.97Å; L170-I174 WeakPolarHBondContact O-CG1 3.17Å; L170-I174 PolarHBondContact O-N 3.26Å; I174-S176 VanDerWaalsContact C-N 3.32Å; I174-S176 PolarHBondContact O-N 2.87Å; I174-A177 CarbonylContact O-C 3.59Å; I174-A177 WeakPolarHBondContact O-CB 3.31Å; I174-A177 PolarHBondContact O-N 2.89Å; I174-A177 VanDerWaalsContact O-N 3.13Å; I174-T178 HydrophobicContact CG2-CG2 4.42Å; I174-T178 WeakPolarHBondContact O-CG2 3.49Å; I174-T178 PolarHBondContact O-N 3.47Å; I174-I192 HydrophobicContact CG2-CG2 3.83Å; I174-I195 HydrophobicContact CD1-CG2 4.03Å; I174-L196 HydrophobicContact CB-CD1 4.19Å; I174-L196 HydrophobicContact CG2-CB 3.91Å; I174-L196 HydrophobicContact CG2-CD1 3.99Å; I174-L199 HydrophobicContact CD1-CD2 4.37Å
175G90.1Very high88.9Confident24 Ų2460.1 Ų60.125%0.24736%0.356CS..Hα-helixtrans-61.5-36.717500000113.6M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 2.93Å; H172-G175 PolarHBondContact O-N 3.23Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 2.75Å; G175-T178 PolarHBondContact O-OG1 3.47Å; G175-L179 PolarHBondContact O-N 2.88Å
176S89.1Confident88.9Confident58 Ų5865.2 Ų65.241%0.40638%0.381SS..Hα-helixtrans-70.4-34.8173.472.20000112.2H172 L173 I174 L179 A180H172-S176 WeakPolarHBondContact O-CB 3.49Å; H172-S176 PolarHBondContact O-N 3Å; H172-S176 PolarHBondContact O-OG 3.42Å; L173-S176 PolarHBondContact O-N 3.33Å; L173-S176 PolarHBondContact O-OG 2.98Å; I174-S176 VanDerWaalsContact C-N 3.32Å; I174-S176 PolarHBondContact O-N 2.87Å; S176-L179 PolarHBondContact O-N 3.39Å; S176-A180 WeakPolarHBondContact O-CB 3.43Å; S176-A180 PolarHBondContact O-N 3.28Å
177A88.6Confident89Confident38 Ų3867.1 Ų67.131%0.31439%0.389SS..Hα-helixtrans-69.5-40.1175.900000112L173 I174 L179 A180 M181L173-A177 PolarHBondContact O-N 3.47Å; I174-A177 CarbonylContact O-C 3.59Å; I174-A177 WeakPolarHBondContact O-CB 3.31Å; I174-A177 PolarHBondContact O-N 2.89Å; I174-A177 VanDerWaalsContact O-N 3.13Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 2.98Å; A177-A180 PolarHBondContact O-N 3.33Å; A177-M181 WeakPolarHBondContact O-CB 3.49Å; A177-M181 WeakPolarHBondContact O-CG 3.45Å; A177-M181 PolarHBondContact O-N 2.85Å
178T90.6Very high88.9Confident23 Ų2368.7 Ų68.714%0.14140%0.399CS..Hα-helixtrans-60.9-42174.855.90000111.1I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.42Å; I174-T178 WeakPolarHBondContact O-CG2 3.49Å; I174-T178 PolarHBondContact O-N 3.47Å; G175-T178 PolarHBondContact O-OG1 3.47Å; T178-M181 PolarHBondContact O-N 3.45Å; T178-S182 PolarHBondContact O-N 3.3Å; T178-I192 HydrophobicContact CG2-CB 3.91Å; T178-I192 HydrophobicContact CG2-CG2 3.4Å
179L89.8Confident89.1Confident128 Ų12868.2 Ų68.267%0.6740%0.399SS*.Hα-helixtrans-69.7-36.4178.5-167.3139.8000112.7G175 S176 A177 S182G175-L179 PolarHBondContact O-N 2.88Å; S176-L179 PolarHBondContact O-N 3.39Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 2.98Å; L179-S182 PolarHBondContact O-OG 3.49Å
180A88.9Confident89.3Confident49 Ų4971.9 Ų71.941%0.40542%0.417SS..Hα-helixtrans-70.1-35.317400000112.4S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.43Å; S176-A180 PolarHBondContact O-N 3.28Å; A177-A180 PolarHBondContact O-N 3.33Å; A180-S182 VanDerWaalsContact C-N 3.34Å; A180-T183 PolarHBondContact O-OG1 3.35Å
181M87.3Confident89.4Confident61 Ų6173 Ų7330%0.342%0.423SS..Hα-helixtrans-77.6-20.6179.2-66.4-66.8110.300112.6A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.49Å; A177-M181 WeakPolarHBondContact O-CG 3.45Å; A177-M181 PolarHBondContact O-N 2.85Å; T178-M181 PolarHBondContact O-N 3.45Å; M181-T183 PolarHBondContact O-N 3.38Å; M181-I184 HydrophobicContact CE-CD1 3.57Å; M181-I184 PolarHBondContact O-N 3.35Å; M181-I184 HydrophobicContact SD-CD1 4.13Å; M181-N185 PolarHBondContact O-N 3.42Å; M181-T189 HydrophobicContact CB-CG2 3.64Å; M181-T189 WeakPolarHBondContact O-CG2 3.47Å; M181-I192 HydrophobicContact CB-CD1 4.21Å; M181-I192 HydrophobicContact CG-CD1 3.65Å
182S87.4Confident89.5Confident73 Ų7373.4 Ų73.451%0.5143%0.425SS..THydrogen-bonded Turntrans-63.5-24.6-178.6670000113T178 L179 A180 T189T178-S182 PolarHBondContact O-N 3.3Å; L179-S182 PolarHBondContact O-OG 3.49Å; A180-S182 VanDerWaalsContact C-N 3.34Å; S182-T189 VanDerWaalsContact N-CG2 3.25Å
183T87.7Confident89.7Confident121 Ų12174.6 Ų74.674%0.74243%0.429SS*.THydrogen-bonded Turntrans-84.5-15.4176.159.10000113.4A180 M181A180-T183 PolarHBondContact O-OG1 3.35Å; M181-T183 PolarHBondContact O-N 3.38Å
184I87.8Confident89.9Confident104 Ų10473.9 Ų73.953%0.53343%0.429SS..THydrogen-bonded Turntrans-98-63.8-173.9-56.4175.4000110.4M181M181-I184 HydrophobicContact CE-CD1 3.57Å; M181-I184 PolarHBondContact O-N 3.35Å; M181-I184 HydrophobicContact SD-CD1 4.13Å
185N88.4Confident90Very high95 Ų9576.4 Ų76.451%0.50844%0.442SS..  trans-149.2124.3-171.6-85.5-18.8000111.9M181 S188 T189M181-N185 PolarHBondContact O-N 3.42Å; N185-S188 WeakPolarHBondContact CB-OG 3.45Å; N185-S188 PolarHBondContact O-OG 3.05Å; N185-T189 VanDerWaalsContact O-CG2 3.25Å; N185-T189 WeakPolarHBondContact O-CG2 3.3Å; N185-T189 PolarHBondContact O-N 3.09Å
186L87.9Confident90.2Very high145 Ų14576.8 Ų76.876%0.75944%0.438SS*.Hα-helixtrans-61.7-40.3177.9-158.296.6000115.5T189 L190L186-T189 WeakPolarHBondContact CA-OG1 3.41Å; L186-T189 PolarHBondContact O-N 2.73Å; L186-T189 PolarHBondContact O-OG1 3Å; L186-L190 PolarHBondContact O-N 2.98Å
187P89.1Confident90.4Very high94 Ų9477.7 Ų77.761%0.6144%0.438SS*.Hα-helixtrans-69.2-38.2-178.524.5-32.5000112.2T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.32Å; P187-T189 PolarHBondContact O-N 3Å; P187-L190 PolarHBondContact O-N 3.31Å; P187-I191 PolarHBondContact O-N 3.06Å
188S87.3Confident90.7Very high38 Ų3881.6 Ų81.627%0.26645%0.453SS..Hα-helixtrans-65.8-34.5175.142.30000112.5N185 L190 I191 I192N185-S188 WeakPolarHBondContact CB-OG 3.45Å; N185-S188 PolarHBondContact O-OG 3.05Å; S188-L190 VanDerWaalsContact C-N 3.33Å; S188-L190 PolarHBondContact O-N 2.87Å; S188-I191 PolarHBondContact O-N 3.24Å; S188-I192 WeakPolarHBondContact O-CG1 3.35Å; S188-I192 PolarHBondContact O-N 2.93Å; S188-I192 VanDerWaalsContact O-N 3.14Å
189T91.9Very high90.8Very high23 Ų2381.7 Ų81.714%0.14145%0.452CS..Hα-helixtrans-67.3-3717855.50000112.3M181 S182 N185 L186 P187 I191 I192 F193M181-T189 HydrophobicContact CB-CG2 3.64Å; M181-T189 WeakPolarHBondContact O-CG2 3.47Å; S182-T189 VanDerWaalsContact N-CG2 3.25Å; N185-T189 VanDerWaalsContact O-CG2 3.25Å; N185-T189 WeakPolarHBondContact O-CG2 3.3Å; N185-T189 PolarHBondContact O-N 3.09Å; L186-T189 WeakPolarHBondContact CA-OG1 3.41Å; L186-T189 PolarHBondContact O-N 2.73Å; L186-T189 PolarHBondContact O-OG1 3Å; P187-T189 VanDerWaalsContact C-N 3.32Å; P187-T189 PolarHBondContact O-N 3Å; T189-I191 VanDerWaalsContact C-N 3.29Å; T189-I191 PolarHBondContact O-N 2.88Å; T189-I192 PolarHBondContact O-N 3.42Å; T189-F193 WeakPolarHBondContact O-CB 3.26Å; T189-F193 PolarHBondContact O-N 3.32Å
190L91.8Very high90.9Very high118 Ų11878 Ų7862%0.61844%0.435SS*.Hα-helixtrans-60.8-42.8176.9-161.694.4000110.6L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 2.98Å; P187-L190 PolarHBondContact O-N 3.31Å; S188-L190 VanDerWaalsContact C-N 3.33Å; S188-L190 PolarHBondContact O-N 2.87Å; L190-F193 PolarHBondContact O-N 2.86Å; L190-T194 WeakPolarHBondContact O-CG2 3.5Å; L190-T194 PolarHBondContact O-N 3.33Å; L190-T194 PolarHBondContact O-OG1 2.97Å
191I92.9Very high91.1Very high103 Ų10380.6 Ų80.653%0.52844%0.441SS..Hα-helixtrans-64.3-45.2178.8-62.6165.4000111.3P187 S188 T189 F193 T194 I195P187-I191 PolarHBondContact O-N 3.06Å; S188-I191 PolarHBondContact O-N 3.24Å; T189-I191 VanDerWaalsContact C-N 3.29Å; T189-I191 PolarHBondContact O-N 2.88Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.45Å; I191-T194 PolarHBondContact O-N 3.37Å; I191-T194 PolarHBondContact O-OG1 2.98Å; I191-I195 HydrophobicContact CG2-CD1 4.34Å; I191-I195 WeakPolarHBondContact O-CG1 3.48Å; I191-I195 PolarHBondContact O-N 2.61Å
192I93.2Very high91.3Very high40 Ų4082.4 Ų82.421%0.20545%0.451CS..Hα-helixtrans-70.6-33.3-179.9-57167.3000110.4I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.83Å; T178-I192 HydrophobicContact CG2-CB 3.91Å; T178-I192 HydrophobicContact CG2-CG2 3.4Å; M181-I192 HydrophobicContact CB-CD1 4.21Å; M181-I192 HydrophobicContact CG-CD1 3.65Å; S188-I192 WeakPolarHBondContact O-CG1 3.35Å; S188-I192 PolarHBondContact O-N 2.93Å; S188-I192 VanDerWaalsContact O-N 3.14Å; T189-I192 PolarHBondContact O-N 3.42Å; I192-I195 WeakPolarHBondContact O-CB 3.25Å; I192-I195 PolarHBondContact O-N 3.21Å; I192-L196 PolarHBondContact O-N 2.8Å
193F92.7Very high91.5Very high110 Ų11079.5 Ų79.548%0.48243%0.43SS..Hα-helixtrans-66.7-38.8175.5-174.5-106.5000112.5T189 L190 I191 I195 L196 I197T189-F193 WeakPolarHBondContact O-CB 3.26Å; T189-F193 PolarHBondContact O-N 3.32Å; L190-F193 PolarHBondContact O-N 2.86Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.45Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.38Å; F193-L196 HydrophobicContact CD2-CD2 4.43Å; F193-L196 WeakPolarHBondContact O-CB 3.49Å; F193-L196 PolarHBondContact O-N 3.38Å; F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.5Å; F193-I197 VanDerWaalsContact CE1-CD1 3.5Å; F193-I197 HydrophobicContact CE1-CG1 4.27Å; F193-I197 HydrophobicContact CZ-CD1 4.08Å; F193-I197 HydrophobicContact CZ-CG1 4.44Å; F193-I197 PolarHBondContact O-N 3.13Å
194T93.8Very high91.7Very high76 Ų7677.8 Ų77.847%0.46642%0.415SS..Hα-helixtrans-64.9-37.1173.356.80000111.7L190 I191 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.5Å; L190-T194 PolarHBondContact O-N 3.33Å; L190-T194 PolarHBondContact O-OG1 2.97Å; I191-T194 PolarHBondContact O-N 3.37Å; I191-T194 PolarHBondContact O-OG1 2.98Å; T194-I197 PolarHBondContact O-N 2.98Å; T194-L198 PolarHBondContact O-N 2.97Å
195I94.4Very high91.9Very high83 Ų8375 Ų7543%0.42641%0.408SS..Hα-helixtrans-62-42.6172.7-65166.6000110.9I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.03Å; I191-I195 HydrophobicContact CG2-CD1 4.34Å; I191-I195 WeakPolarHBondContact O-CG1 3.48Å; I191-I195 PolarHBondContact O-N 2.61Å; I192-I195 WeakPolarHBondContact O-CB 3.25Å; I192-I195 PolarHBondContact O-N 3.21Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.38Å; I195-I197 PolarHBondContact O-N 2.95Å; I195-L198 PolarHBondContact O-N 3.2Å; I195-L199 WeakPolarHBondContact O-CB 3.44Å; I195-L199 PolarHBondContact O-N 3.41Å
196L93.6Very high92Very high33 Ų3372.3 Ų72.317%0.17340%0.395CS..Hα-helixtrans-59.2-45.8176.2-177.566.8000111.4I174 I192 F193 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.19Å; I174-L196 HydrophobicContact CG2-CB 3.91Å; I174-L196 HydrophobicContact CG2-CD1 3.99Å; I192-L196 PolarHBondContact O-N 2.8Å; F193-L196 HydrophobicContact CD2-CD2 4.43Å; F193-L196 WeakPolarHBondContact O-CB 3.49Å; F193-L196 PolarHBondContact O-N 3.38Å; L196-L198 PolarHBondContact O-N 2.94Å; L196-L199 WeakPolarHBondContact O-CB 2.98Å; L196-L199 PolarHBondContact O-N 3.45Å; L196-T200 WeakPolarHBondContact O-CG2 3.49Å; L196-T200 PolarHBondContact O-N 3.48Å
197I93Very high92.1Very high77 Ų7765.7 Ų65.740%0.39536%0.361SS..Hα-helixtrans-60-47.7176.5-67.4165.7000110.5F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.5Å; F193-I197 VanDerWaalsContact CE1-CD1 3.5Å; F193-I197 HydrophobicContact CE1-CG1 4.27Å; F193-I197 HydrophobicContact CZ-CD1 4.08Å; F193-I197 HydrophobicContact CZ-CG1 4.44Å; F193-I197 PolarHBondContact O-N 3.13Å; T194-I197 PolarHBondContact O-N 2.98Å; I195-I197 PolarHBondContact O-N 2.95Å; I197-L199 VanDerWaalsContact C-N 3.26Å; I197-L199 PolarHBondContact O-N 3.25Å; I197-T200 PolarHBondContact O-N 2.89Å; I197-T200 VanDerWaalsContact O-N 3.14Å; I197-T200 PolarHBondContact O-OG1 3.14Å; I197-I201 HydrophobicContact CG2-CD1 4.14Å; I197-I201 WeakPolarHBondContact O-CG1 3.31Å; I197-I201 PolarHBondContact O-N 2.99Å; I197-I201 VanDerWaalsContact O-N 3.12Å
198L94.9Very high92.1Very high120 Ų12066.7 Ų66.763%0.62836%0.36SS*.Hα-helixtrans-59.4-40.8179.5-174.963.6000111.7T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 2.97Å; I195-L198 PolarHBondContact O-N 3.2Å; L196-L198 PolarHBondContact O-N 2.94Å; L198-I201 PolarHBondContact O-N 3.04Å; L198-L202 PolarHBondContact O-N 3.47Å
199L93.5Very high92.3Very high24 Ų2469.5 Ų69.513%0.12637%0.371CS..Hα-helixtrans-63.1-42.7176.2-170.286.6000112L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.4Å; L170-L199 HydrophobicContact CD1-CD1 4.46Å; L170-L199 HydrophobicContact CD2-CD1 3.42Å; L170-L199 VanDerWaalsContact CD2-CD1 3.42Å; L170-L199 HydrophobicContact CD2-CD2 3.34Å; L170-L199 HydrophobicContact CD2-CG 3.97Å; L170-L199 HydrophobicContact CG-CD1 4.49Å; L170-L199 HydrophobicContact CG-CD2 4.46Å; M171-L199 HydrophobicContact CB-CD2 4.22Å; M171-L199 HydrophobicContact CG-CD2 3.44Å; M171-L199 VanDerWaalsContact CG-CD2 3.44Å; M171-L199 HydrophobicContact CG-CG 4.45Å; I174-L199 HydrophobicContact CD1-CD2 4.37Å; I195-L199 WeakPolarHBondContact O-CB 3.44Å; I195-L199 PolarHBondContact O-N 3.41Å; L196-L199 WeakPolarHBondContact O-CB 2.98Å; L196-L199 PolarHBondContact O-N 3.45Å; I197-L199 VanDerWaalsContact C-N 3.26Å; I197-L199 PolarHBondContact O-N 3.25Å; L199-I201 VanDerWaalsContact C-N 3.29Å; L199-I201 PolarHBondContact O-N 3.46Å; L199-L202 WeakPolarHBondContact O-CB 3.31Å; L199-L202 PolarHBondContact O-N 2.81Å; L199-E203 PolarHBondContact O-N 3.25Å
200T91.4Very high92.2Very high52 Ų5268.9 Ų68.932%0.31937%0.367SS..Hα-helixtrans-61.9-38.1177.460.70000112M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.95Å; L196-T200 WeakPolarHBondContact O-CG2 3.49Å; L196-T200 PolarHBondContact O-N 3.48Å; I197-T200 PolarHBondContact O-N 2.89Å; I197-T200 VanDerWaalsContact O-N 3.14Å; I197-T200 PolarHBondContact O-OG1 3.14Å; T200-E203 PolarHBondContact O-N 2.84Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.23Å; T200-I204 PolarHBondContact O-N 3.33Å
201I93Very high92.1Very high103 Ų10363.3 Ų63.353%0.52834%0.338SS..Hα-helixtrans-64.6-43.6175.5-64.6167.9000110.4I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.14Å; I197-I201 WeakPolarHBondContact O-CG1 3.31Å; I197-I201 PolarHBondContact O-N 2.99Å; I197-I201 VanDerWaalsContact O-N 3.12Å; L198-I201 PolarHBondContact O-N 3.04Å; L199-I201 VanDerWaalsContact C-N 3.29Å; L199-I201 PolarHBondContact O-N 3.46Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.44Å; I201-I204 PolarHBondContact O-N 3.12Å; I201-A205 PolarHBondContact O-N 3.18Å; I201-A205 VanDerWaalsContact O-N 3.17Å
202L92.3Very high91.9Very high98 Ų9863.3 Ų63.351%0.51333%0.332SS..Hα-helixtrans-59.2-45.7175.8179.567.8000111L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 3.47Å; L199-L202 WeakPolarHBondContact O-CB 3.31Å; L199-L202 PolarHBondContact O-N 2.81Å; L202-I204 PolarHBondContact O-N 2.89Å; L202-A205 WeakPolarHBondContact O-CB 3.35Å; L202-A205 PolarHBondContact O-N 3.33Å; L202-A205 VanDerWaalsContact O-N 3.12Å; L202-V206 HydrophobicContact CD1-CG2 4.38Å; L202-V206 HydrophobicContact CG-CG2 4.33Å; L202-V206 WeakPolarHBondContact O-CG2 3.49Å; L202-V206 PolarHBondContact O-N 2.92Å
203E91Very high91.8Very high13 Ų1363.5 Ų63.56%0.06134%0.335CS..Hα-helixtrans-67.4-36.9-176.7-161.764.4-159.600112.1L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.48Å; L87-E203 HydrophobicContact CD2-CB 4.19Å; L87-E203 HydrophobicContact CD2-CG 3.4Å; L87-E203 VanDerWaalsContact CD2-CG 3.4Å; G167-E203 WeakPolarHBondContact CA-OE2 3.39Å; M171-E203 HydrophobicContact CE-CG 4.16Å; L199-E203 PolarHBondContact O-N 3.25Å; T200-E203 PolarHBondContact O-N 2.84Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.44Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.34Å; E203-V206 PolarHBondContact O-N 3.37Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.33Å; E203-A207 PolarHBondContact O-N 3.03Å
204I91Very high91.6Very high85 Ų8558.2 Ų58.244%0.43631%0.312SS..Hα-helixtrans-59.2-43.1171.5-67.3164.3000110.6L84 L87 T200 I201 L202 L208L84-I204 HydrophobicContact CD1-CG2 4.44Å; L87-I204 HydrophobicContact CD1-CB 4.18Å; L87-I204 HydrophobicContact CD1-CG1 3.6Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.23Å; T200-I204 PolarHBondContact O-N 3.33Å; I201-I204 PolarHBondContact O-N 3.12Å; L202-I204 PolarHBondContact O-N 2.89Å; I204-L208 PolarHBondContact O-N 3.17Å
205A92Very high91.4Very high46 Ų4654.6 Ų54.638%0.3829%0.289SS..Hα-helixtrans-65.8-45.7177.200000111.7I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 3.18Å; I201-A205 VanDerWaalsContact O-N 3.17Å; L202-A205 WeakPolarHBondContact O-CB 3.35Å; L202-A205 PolarHBondContact O-N 3.33Å; L202-A205 VanDerWaalsContact O-N 3.12Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.34Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 3.12Å; A205-L208 PolarHBondContact O-N 3.48Å; A205-I209 WeakPolarHBondContact O-CB 3.44Å; A205-I209 VanDerWaalsContact O-CG1 3.26Å; A205-I209 WeakPolarHBondContact O-CG1 3.4Å; A205-I209 PolarHBondContact O-N 2.95Å
206V91.9Very high91.1Very high38 Ų3853.6 Ų53.623%0.2328%0.284CS..Hα-helixtrans-61-42.6178.1172.80000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.06Å; L202-V206 HydrophobicContact CD1-CG2 4.38Å; L202-V206 HydrophobicContact CG-CG2 4.33Å; L202-V206 WeakPolarHBondContact O-CG2 3.49Å; L202-V206 PolarHBondContact O-N 2.92Å; E203-V206 PolarHBondContact O-N 3.37Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 2.94Å; V206-I209 PolarHBondContact O-N 3.46Å; V206-Q210 WeakPolarHBondContact O-CB 3.28Å; V206-Q210 PolarHBondContact O-N 3.14Å
207A89.4Confident90.8Very high5 Ų553.7 Ų53.74%0.04129%0.285CS..Hα-helixtrans-57.3-42.2178.200000112.9N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.92Å; N83-A207 PolarHBondContact ND2-O 2.98Å; L87-A207 HydrophobicContact CD1-CB 4.06Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.33Å; E203-A207 PolarHBondContact O-N 3.03Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 3.12Å; A207-A211 PolarHBondContact O-N 2.96Å
208L89.4Confident90.4Very high116 Ų11650.3 Ų50.361%0.60727%0.268SS*.Hα-helixtrans-75.3-44.6179-170.9148.1000111.9I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 3.17Å; A205-L208 PolarHBondContact O-N 3.48Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 2.94Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 2.88Å; L208-A211 PolarHBondContact O-N 2.97Å; L208-Y212 PolarHBondContact O-N 3.04Å
209I91Very high90.1Very high96 Ų9645.1 Ų45.149%0.49224%0.242SC..Hα-helixtrans-60.7-40.3178-69166.4000110.3A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.44Å; A205-I209 VanDerWaalsContact O-CG1 3.26Å; A205-I209 WeakPolarHBondContact O-CG1 3.4Å; A205-I209 PolarHBondContact O-N 2.95Å; V206-I209 PolarHBondContact O-N 3.46Å; I209-A211 PolarHBondContact O-N 2.83Å; I209-Y212 WeakPolarHBondContact O-CB 3.44Å; I209-Y212 PolarHBondContact O-N 3.03Å; I209-Y212 VanDerWaalsContact O-N 3.16Å; I209-V213 HydrophobicContact CG2-CG2 4.02Å; I209-V213 WeakPolarHBondContact O-CG2 3.46Å; I209-V213 PolarHBondContact O-N 3.49Å
210Q89.4Confident89.7Confident10 Ų1047.6 Ų47.65%0.04726%0.255CS..Hα-helixtrans-66.4-38.1-177.6-173.563.28.900112.3R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.27Å; R159-Q210 VanDerWaalsContact CG-NE2 3.32Å; L160-Q210 VanDerWaalsContact CA-NE2 3.26Å; L160-Q210 HydrophobicContact CB-CG 4.27Å; L160-Q210 HydrophobicContact CD1-CB 4.36Å; L160-Q210 HydrophobicContact CD1-CG 3.39Å; L160-Q210 HydrophobicContact CG-CG 4.42Å; V206-Q210 WeakPolarHBondContact O-CB 3.28Å; V206-Q210 PolarHBondContact O-N 3.14Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 2.88Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 2.94Å; Q210-F214 VanDerWaalsContact O-CB 3.32Å; Q210-F214 WeakPolarHBondContact O-CB 3.44Å; Q210-F214 PolarHBondContact O-N 3.07Å
211A89.8Confident89.2Confident1 Ų146.1 Ų46.11%0.00824%0.243CC..Hα-helixtrans-62.3-40.7172.500000111.8I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.41Å; I79-A211 HydrophobicContact CB-CB 4Å; I79-A211 HydrophobicContact CG2-CB 3.75Å; A80-A211 HydrophobicContact CB-CB 3.92Å; A207-A211 PolarHBondContact O-N 2.96Å; L208-A211 PolarHBondContact O-N 2.97Å; I209-A211 PolarHBondContact O-N 2.83Å; A211-T215 WeakPolarHBondContact O-CG2 3.41Å; A211-T215 PolarHBondContact O-N 2.92Å; A211-T215 PolarHBondContact O-OG1 3.44Å
212Y90.1Very high88.7Confident104 Ų10441.3 Ų41.341%0.40822%0.219SC..Hα-helixtrans-65.8-49.3176.4176.4-100.7000112.5M57 I76 L208 I209 Q210 F214 T215 L216M57-Y212 HydrophobicContact CE-CD2 4.42Å; I76-Y212 HydrophobicContact CD1-CD2 4.21Å; L208-Y212 PolarHBondContact O-N 3.04Å; I209-Y212 WeakPolarHBondContact O-CB 3.44Å; I209-Y212 PolarHBondContact O-N 3.03Å; I209-Y212 VanDerWaalsContact O-N 3.16Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 2.94Å; Y212-F214 VanDerWaalsContact C-N 3.3Å; Y212-F214 PolarHBondContact O-N 3.41Å; Y212-T215 PolarHBondContact O-N 3.35Å; Y212-T215 PolarHBondContact O-OG1 3.48Å; Y212-L216 HydrophobicContact CE1-CD1 3.65Å; Y212-L216 HydrophobicContact CE2-CD1 4.42Å; Y212-L216 VanDerWaalsContact O-CB 3.28Å; Y212-L216 WeakPolarHBondContact O-CB 3.34Å; Y212-L216 PolarHBondContact O-N 3.28Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.46Å
213V90.3Very high88.3Confident43 Ų4340.6 Ų40.626%0.26121%0.213SC..Hα-helixtrans-62.8-38.4180172.70000111.3I209 L217I209-V213 HydrophobicContact CG2-CG2 4.02Å; I209-V213 WeakPolarHBondContact O-CG2 3.46Å; I209-V213 PolarHBondContact O-N 3.49Å; V213-L217 HydrophobicContact CG1-CD1 3.95Å; V213-L217 WeakPolarHBondContact O-CB 3.41Å; V213-L217 WeakPolarHBondContact O-CG 3.33Å; V213-L217 PolarHBondContact O-N 2.68Å
214F88.1Confident87.7Confident0 Ų043.3 Ų43.30%023%0.228CC..Hα-helixtrans-58.1-52.8175.8-172.7-79.4000111.7L75 I79 A105 L108 L156 L160 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.03Å; L75-F214 HydrophobicContact CD2-CD1 3.86Å; L75-F214 HydrophobicContact CD2-CE1 3.77Å; L75-F214 HydrophobicContact CG-CD1 4.28Å; L75-F214 HydrophobicContact CG-CE1 4.16Å; I79-F214 HydrophobicContact CD1-CB 4.24Å; I79-F214 HydrophobicContact CD1-CD1 3.33Å; I79-F214 HydrophobicContact CD1-CD2 4.32Å; I79-F214 HydrophobicContact CD1-CE1 3.68Å; I79-F214 HydrophobicContact CD1-CG 3.72Å; I79-F214 HydrophobicContact CD1-CZ 4.31Å; A105-F214 HydrophobicContact CB-CE2 4.34Å; A105-F214 HydrophobicContact CB-CZ 4.18Å; L108-F214 HydrophobicContact CD1-CE1 4Å; L108-F214 HydrophobicContact CD1-CZ 4.45Å; L156-F214 HydrophobicContact CD1-CD2 4.08Å; L156-F214 HydrophobicContact CD1-CG 4.44Å; L156-F214 HydrophobicContact CD2-CD1 4.13Å; L156-F214 HydrophobicContact CD2-CD2 3.27Å; L156-F214 HydrophobicContact CD2-CE1 4.02Å; L156-F214 HydrophobicContact CD2-CE2 3.14Å; L156-F214 HydrophobicContact CD2-CG 3.77Å; L156-F214 HydrophobicContact CD2-CZ 3.54Å; L156-F214 HydrophobicContact CG-CD2 3.39Å; L156-F214 HydrophobicContact CG-CE2 3.59Å; L156-F214 HydrophobicContact CG-CG 4.13Å; L156-F214 HydrophobicContact CG-CZ 4.45Å; L160-F214 HydrophobicContact CD2-CD2 4.49Å; Q210-F214 VanDerWaalsContact O-CB 3.32Å; Q210-F214 WeakPolarHBondContact O-CB 3.44Å; Q210-F214 PolarHBondContact O-N 3.07Å; Y212-F214 VanDerWaalsContact C-N 3.3Å; Y212-F214 PolarHBondContact O-N 3.41Å; F214-L217 PolarHBondContact O-N 3.47Å; F214-V218 HydrophobicContact CD1-CG2 4.41Å; F214-V218 HydrophobicContact CE1-CG2 4.22Å; F214-V218 WeakPolarHBondContact O-CG2 3.18Å; F214-V218 PolarHBondContact O-N 2.87Å
215T89.1Confident87Confident0 Ų040.6 Ų40.60%021%0.214CC..Hα-helixtrans-71.1-35.6-177.152.50000112.7M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.41Å; L75-T215 HydrophobicContact CB-CG2 4.08Å; L75-T215 HydrophobicContact CD2-CG2 3.51Å; L75-T215 HydrophobicContact CG-CG2 3.73Å; I76-T215 VanDerWaalsContact CA-CG2 3.48Å; I76-T215 HydrophobicContact CB-CG2 3.5Å; I76-T215 VanDerWaalsContact CB-CG2 3.5Å; I76-T215 HydrophobicContact CG1-CG2 4.15Å; A211-T215 WeakPolarHBondContact O-CG2 3.41Å; A211-T215 PolarHBondContact O-N 2.92Å; A211-T215 PolarHBondContact O-OG1 3.44Å; Y212-T215 PolarHBondContact O-N 3.35Å; Y212-T215 PolarHBondContact O-OG1 3.48Å; T215-V218 PolarHBondContact O-N 2.95Å; T215-S219 WeakPolarHBondContact O-CB 3.37Å; T215-S219 PolarHBondContact O-N 3.36Å
216L88.5Confident86Confident61 Ų6139.7 Ų39.732%0.31920%0.204SC..Hα-helixtrans-62.4-45.3174.8-175.2148.9000111.5Y212 V218 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.65Å; Y212-L216 HydrophobicContact CE2-CD1 4.42Å; Y212-L216 VanDerWaalsContact O-CB 3.28Å; Y212-L216 WeakPolarHBondContact O-CB 3.34Å; Y212-L216 PolarHBondContact O-N 3.28Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.46Å; L216-V218 PolarHBondContact O-N 3.3Å; L216-S219 CarbonylContact O-C 3.58Å; L216-S219 WeakPolarHBondContact O-CB 3.46Å; L216-S219 PolarHBondContact O-N 3.14Å; L216-S219 VanDerWaalsContact O-N 3.14Å; L216-S219 PolarHBondContact O-OG 3.41Å; L216-L220 PolarHBondContact O-N 3.19Å
217L86.9Confident85.7Confident36 Ų3639.8 Ų39.819%0.18820%0.202CC..Hα-helixtrans-63.3-42.8178-76.6168.9000111.8L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 4.11Å; L156-L217 HydrophobicContact CD1-CD1 3.42Å; L156-L217 VanDerWaalsContact CD1-CD1 3.42Å; L156-L217 HydrophobicContact CD1-CG 4.39Å; V213-L217 HydrophobicContact CG1-CD1 3.95Å; V213-L217 WeakPolarHBondContact O-CB 3.41Å; V213-L217 WeakPolarHBondContact O-CG 3.33Å; V213-L217 PolarHBondContact O-N 2.68Å; F214-L217 PolarHBondContact O-N 3.47Å; L217-S219 VanDerWaalsContact C-N 3.26Å; L217-S219 PolarHBondContact O-N 3.37Å; L217-L220 PolarHBondContact O-N 3.47Å; L217-Y221 HydrophobicContact CB-CE2 4.11Å; L217-Y221 WeakPolarHBondContact O-CD2 3.47Å; L217-Y221 WeakPolarHBondContact O-CE2 3.35Å; L217-Y221 VanDerWaalsContact O-CG 3.32Å; L217-Y221 PolarHBondContact O-N 3.05Å
218V86.3Confident85.5Confident5 Ų541.6 Ų41.63%0.0321%0.211CC..Hα-helixtrans-59.9-40.1173.3177.30000111.2L72 L108 L156 F214 T215 L216 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.19Å; L72-V218 HydrophobicContact CD2-CG1 3.86Å; L108-V218 HydrophobicContact CB-CG1 4.4Å; L156-V218 HydrophobicContact CD2-CG2 4.32Å; F214-V218 HydrophobicContact CD1-CG2 4.41Å; F214-V218 HydrophobicContact CE1-CG2 4.22Å; F214-V218 WeakPolarHBondContact O-CG2 3.18Å; F214-V218 PolarHBondContact O-N 2.87Å; T215-V218 PolarHBondContact O-N 2.95Å; L216-V218 PolarHBondContact O-N 3.3Å; V218-Y221 PolarHBondContact O-N 3.22Å; V218-L222 PolarHBondContact O-N 2.99Å
219S86.8Confident85.2Confident11 Ų1137.4 Ų37.48%0.07719%0.189CC..Hα-helixtrans-66.4-38.5176.785.40000112.3H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact NE2-O 2.79Å; T215-S219 WeakPolarHBondContact O-CB 3.37Å; T215-S219 PolarHBondContact O-N 3.36Å; L216-S219 CarbonylContact O-C 3.58Å; L216-S219 WeakPolarHBondContact O-CB 3.46Å; L216-S219 PolarHBondContact O-N 3.14Å; L216-S219 VanDerWaalsContact O-N 3.14Å; L216-S219 PolarHBondContact O-OG 3.41Å; L217-S219 VanDerWaalsContact C-N 3.26Å; L217-S219 PolarHBondContact O-N 3.37Å; S219-L222 WeakPolarHBondContact O-CB 3.14Å; S219-L222 PolarHBondContact O-N 3.2Å; S219-H223 PolarHBondContact O-N 3.46Å
220L85.3Confident84.9Confident76 Ų7634 Ų3440%0.39817%0.171SC..Hα-helixtrans-65.3-42.2176.1-171.1150.3000110.9L216 L217 L222 H223 D224L216-L220 PolarHBondContact O-N 3.19Å; L217-L220 PolarHBondContact O-N 3.47Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.19Å; L220-H223 WeakPolarHBondContact O-CA 3.41Å; L220-H223 WeakPolarHBondContact O-CB 3.43Å; L220-H223 PolarHBondContact O-N 3.28Å; L220-H223 VanDerWaalsContact O-N 3.07Å; L220-D224 VanDerWaalsContact CD2-OD2 3.27Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.25Å; L220-D224 PolarHBondContact O-N 3.34Å
221Y81.9Confident84.6Confident21 Ų2135.5 Ų35.58%0.08218%0.178CC..Hα-helixtrans-62.1-36.8173.3-59.3-42.5000112.6Q152 L217 V218 H223 N225Q152-Y221 HydrophobicContact CG-CE1 4.33Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.49Å; Q152-Y221 PolarHBondContact NE2-OH 3.47Å; Q152-Y221 VanDerWaalsContact OE1-CZ 3.25Å; Q152-Y221 PolarHBondContact OE1-OH 3Å; L217-Y221 HydrophobicContact CB-CE2 4.11Å; L217-Y221 WeakPolarHBondContact O-CD2 3.47Å; L217-Y221 WeakPolarHBondContact O-CE2 3.35Å; L217-Y221 VanDerWaalsContact O-CG 3.32Å; L217-Y221 PolarHBondContact O-N 3.05Å; V218-Y221 PolarHBondContact O-N 3.22Å; Y221-H223 VanDerWaalsContact C-N 3.33Å; Y221-N225 WeakPolarHBondContact O-CB 3.42Å; Y221-N225 PolarHBondContact O-N 3.27Å; Y221-N225 VanDerWaalsContact O-N 3.15Å; Y221-N225 PolarHBondContact O-ND2 3.4Å
222L83.1Confident84.3Confident2 Ų237.8 Ų37.81%0.0119%0.19CC..Hα-helixtrans-64.8-42.2174.1-174.471.9000110.6W68 L72 T112 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.52Å; W68-L222 HydrophobicContact CD2-CD1 3.76Å; W68-L222 HydrophobicContact CD2-CD2 4.2Å; W68-L222 HydrophobicContact CE3-CD1 4Å; W68-L222 HydrophobicContact CE3-CD2 4.45Å; W68-L222 HydrophobicContact CG-CD1 3.97Å; W68-L222 HydrophobicContact CG-CD2 3.74Å; L72-L222 HydrophobicContact CD1-CD2 4.47Å; T112-L222 HydrophobicContact CG2-CB 4.15Å; T112-L222 HydrophobicContact CG2-CD1 4.15Å; V218-L222 PolarHBondContact O-N 2.99Å; S219-L222 WeakPolarHBondContact O-CB 3.14Å; S219-L222 PolarHBondContact O-N 3.2Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.19Å; L222-N225 PolarHBondContact O-N 3.32Å; L222-T226 HydrophobicContact CD1-CG2 4.12Å; L222-T226 HydrophobicContact CG-CG2 4.23Å; L222-T226 WeakPolarHBondContact O-CB 3.21Å; L222-T226 WeakPolarHBondContact O-CG2 3.38Å; L222-T226 PolarHBondContact O-N 3.38Å; L222-T226 VanDerWaalsContact O-N 3.13Å; L222-T226 PolarHBondContact O-OG1 2.7Å
223H82.6Confident83.9Confident84 Ų8433.1 Ų33.139%0.38917%0.174SC..Hα-helixtrans-59-51.7176.4-174.584.6000111.7M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 2.83Å; M60-H223 PolarHBondContact O-ND1 3.37Å; S219-H223 PolarHBondContact O-N 3.46Å; L220-H223 WeakPolarHBondContact O-CA 3.41Å; L220-H223 WeakPolarHBondContact O-CB 3.43Å; L220-H223 PolarHBondContact O-N 3.28Å; L220-H223 VanDerWaalsContact O-N 3.07Å; Y221-H223 VanDerWaalsContact C-N 3.33Å; H223-N225 PolarHBondContact O-N 3.48Å; H223-T226 PolarHBondContact O-N 3.43Å; H223-T226 VanDerWaalsContact O-N 3.12Å; H223-T226 PolarHBondContact O-OG1 2.96Å
224D79.5Confident83.4Confident70 Ų7032.3 Ų32.337%0.37417%0.168SC..Hα-helixtrans-60.8-31.3-179.6-66.7-14.2000112.8L220L220-D224 VanDerWaalsContact CD2-OD2 3.27Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.25Å; L220-D224 PolarHBondContact O-N 3.34Å
225N75.4Confident83Confident27 Ų2735 Ų3514%0.14418%0.182CC..THydrogen-bonded Turntrans-92.20.5-179.7-73.9-73.1000114.4G116 S119 Y221 L222 H223G116-N225 VanDerWaalsContact CA-O 3.31Å; G116-N225 WeakPolarHBondContact CA-O 3.13Å; S119-N225 PolarHBondContact OG-O 3.4Å; Y221-N225 WeakPolarHBondContact O-CB 3.42Å; Y221-N225 PolarHBondContact O-N 3.27Å; Y221-N225 VanDerWaalsContact O-N 3.15Å; Y221-N225 PolarHBondContact O-ND2 3.4Å; L222-N225 PolarHBondContact O-N 3.32Å; H223-N225 PolarHBondContact O-N 3.48Å
226T70.4Confident82.4Confident27 Ų2738.2 Ų38.217%0.16620%0.198CC..  trans-109.10-178.654.50000115K120 L222 H223K120-T226 WeakPolarHBondContact CE-O 3.2Å; K120-T226 PolarHBondContact NZ-O 3.45Å; K120-T226 PolarHBondContact NZ-OXT 3.24Å; L222-T226 HydrophobicContact CD1-CG2 4.12Å; L222-T226 HydrophobicContact CG-CG2 4.23Å; L222-T226 WeakPolarHBondContact O-CB 3.21Å; L222-T226 WeakPolarHBondContact O-CG2 3.38Å; L222-T226 PolarHBondContact O-N 3.38Å; L222-T226 VanDerWaalsContact O-N 3.13Å; L222-T226 PolarHBondContact O-OG1 2.7Å; H223-T226 PolarHBondContact O-N 3.43Å; H223-T226 VanDerWaalsContact O-N 3.12Å; H223-T226 PolarHBondContact O-OG1 2.96Å

Retrieved 226 of 226 residues in 196.2 ms (Link to these results)