A0A023QD05_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A023QD05, 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
1M54.7Low72.4Confident207 Ų20797.8 Ų97.8100%1.0253%0.528SS*.  0-32.50-76175.5118.200113.2E3 N4M1-E3 PolarHBondContact O-N 3.42Å; M1-N4 PolarHBondContact O-N 3.32Å
2N52.4Low73.3Confident145 Ų14592.9 Ų92.978%0.77551%0.505SS*.Hα-helixtrans-60.5-37.8-178.7-87.717.8000115.6
3E57.3Low74.3Confident152 Ų15293.4 Ų93.471%0.7151%0.513SS*.Hα-helixtrans-75.4-24.8-177.6-68.5-85.2138.800113.3M1 L5 F6 A7M1-E3 PolarHBondContact O-N 3.42Å; E3-L5 VanDerWaalsContact C-N 3.33Å; E3-L5 PolarHBondContact O-N 3.14Å; E3-F6 PolarHBondContact O-N 3.36Å; E3-A7 PolarHBondContact O-N 3.37Å
4N73.6Confident75.1Confident114 Ų11494.9 Ų94.961%0.6152%0.518SS*.Hα-helixtrans-72-28.1-171.5-67.69000112.7M1M1-N4 PolarHBondContact O-N 3.32Å
5L73.5Confident75.7Confident47 Ų47100.1 Ų100.125%0.24654%0.544CS..Hα-helixtrans-70.1-36.6179.7-66179.3000112.1E3 H172 L173E3-L5 VanDerWaalsContact C-N 3.33Å; E3-L5 PolarHBondContact O-N 3.14Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.48Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.49Å; L5-L173 HydrophobicContact CD1-CD2 4.21Å; L5-L173 HydrophobicContact CD2-CD2 4.48Å
6F80.8Confident76.2Confident116 Ų11698.3 Ų98.351%0.50956%0.555SS.*Hα-helixtrans-93.3-9.4-176.8-67-75.8000113.7E3 S8 F9 L169E3-F6 PolarHBondContact O-N 3.36Å; F6-S8 PolarHBondContact O-N 2.86Å; F6-S8 VanDerWaalsContact O-N 3.13Å; F6-F9 AromaticContact CD1-CD2 3.98Å; F6-F9 HydrophobicContact CD1-CD2 3.98Å; F6-F9 HydrophobicContact CD1-CE2 4.37Å; F6-F9 PolarHBondContact O-N 3.13Å; F6-L169 HydrophobicContact CD1-CD2 4.42Å; F6-L169 HydrophobicContact CE1-CD1 4.12Å; F6-L169 HydrophobicContact CE1-CD2 4.05Å; F6-L169 HydrophobicContact CZ-CD2 4.46Å
7A78.5Confident76.6Confident56 Ų5699.9 Ų99.946%0.46356%0.562SS.*G310 helixtrans-54.7-32.8179.900000113.3E3 F9 I10E3-A7 PolarHBondContact O-N 3.37Å; A7-F9 VanDerWaalsContact C-N 3.27Å; A7-F9 PolarHBondContact O-N 3.02Å; A7-I10 PolarHBondContact O-N 2.95Å
8S78.2Confident77.1Confident58 Ų5898.6 Ų98.641%0.40656%0.558SS.*G310 helixtrans-69.8-20.2177.157.20000114.2F6 F92F6-S8 PolarHBondContact O-N 2.86Å; F6-S8 VanDerWaalsContact O-N 3.13Å; S8-F92 WeakPolarHBondContact O-CD2 3.34Å
9F81.6Confident77.5Confident22 Ų2294.4 Ų94.410%0.09654%0.537CS..G310 helixtrans-93-10.9177.9-59.3-70.9000112.9F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 AromaticContact CD1-CD2 3.98Å; F6-F9 HydrophobicContact CD1-CD2 3.98Å; F6-F9 HydrophobicContact CD1-CE2 4.37Å; F6-F9 PolarHBondContact O-N 3.13Å; A7-F9 VanDerWaalsContact C-N 3.27Å; A7-F9 PolarHBondContact O-N 3.02Å; F9-A11 PolarHBondContact O-N 2.93Å; F9-T96 HydrophobicContact CD1-CG2 3.87Å; F9-T96 HydrophobicContact CE1-CG2 3.72Å; F9-Q97 PolarHBondContact O-NE2 3.36Å; F9-T165 HydrophobicContact CD1-CG2 4.37Å; F9-T165 HydrophobicContact CE1-CG2 4.05Å; F9-H168 HydrophobicContact CE1-CB 4.16Å; F9-H168 HydrophobicContact CZ-CB 3.85Å; F9-L169 HydrophobicContact CE2-CD1 4.45Å; F9-L169 HydrophobicContact CE2-CD2 3.68Å; F9-L169 HydrophobicContact CE2-CG 3.76Å; F9-L169 HydrophobicContact CZ-CD2 4.32Å; F9-L169 HydrophobicContact CZ-CG 3.93Å
10I83.9Confident77.9Confident108 Ų10890.6 Ų90.655%0.55452%0.518SS*.SBendtrans-70129.3178.4-59.3175.2000108.5A7 P12A7-I10 PolarHBondContact O-N 2.95Å; I10-P12 WeakPolarHBondContact O-CD 3.07Å
11A82.4Confident78.2Confident51 Ų5190.1 Ų90.142%0.42152%0.516SS..PPolyproline II helixtrans-58.9120.8179.700000110.2F9 T13 F92F9-A11 PolarHBondContact O-N 2.93Å; A11-T13 PolarHBondContact O-N 3.4Å; A11-F92 HydrophobicContact CB-CZ 4.42Å
12P82.8Confident79.7Confident39 Ų3986.4 Ų86.425%0.25350%0.5SS..PPolyproline II helixtrans-70.5128.2-174.426.7-33.2000110I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.07Å; P12-A19 HydrophobicContact CB-CB 4.2Å; P12-A19 HydrophobicContact CG-CB 4.27Å; P12-A19 WeakPolarHBondContact O-CB 3.41Å; P12-A19 PolarHBondContact O-N 3.17Å; P12-I23 HydrophobicContact CG-CD1 3.68Å; P12-F92 HydrophobicContact CG-CB 4.37Å; P12-F92 HydrophobicContact CG-CD1 4.15Å; P12-F92 HydrophobicContact CG-CG 4.09Å
13T86.1Confident81.3Confident99 Ų9981.9 Ų81.961%0.60748%0.475SS*.EExtended strand (participates in β ladder)trans-117.1125.1170.153.70000108.5A11 L17A11-T13 PolarHBondContact O-N 3.4Å; T13-L17 CarbonylContact C-O 3.6Å; T13-L17 VanDerWaalsContact CA-O 3.26Å; T13-L17 WeakPolarHBondContact CA-O 3.39Å
14I86.2Confident82.8Confident114 Ų11477 Ų7759%0.58545%0.454SS*.EExtended strand (participates in β ladder)trans-109.8121175.3-63.6171.8000106.3G16 L17 A19I14-G16 PolarHBondContact O-N 2.96Å; I14-G16 VanDerWaalsContact O-N 3.13Å; I14-L17 PolarHBondContact N-O 3.28Å; I14-L17 PolarHBondContact O-N 3.37Å; I14-A19 HydrophobicContact CB-CB 4.48Å; I14-A19 HydrophobicContact CD1-CB 3.86Å; I14-A19 HydrophobicContact CG1-CB 3.93Å
15L83.9Confident83.4Confident174 Ų17477.3 Ų77.391%0.91145%0.454SS*.THydrogen-bonded Turntrans56.928.9177.5-121118.3000114.2L17L15-L17 VanDerWaalsContact C-N 3.31Å; L15-L17 PolarHBondContact O-N 3.48Å
16G83.3Confident84.1Confident70 Ų7079.5 Ų79.572%0.72246%0.462SS*.THydrogen-bonded Turntrans83.4-3.4-176.500000115.1I14I14-G16 PolarHBondContact O-N 2.96Å; I14-G16 VanDerWaalsContact O-N 3.13Å
17L83.3Confident84.4Confident126 Ų12674.1 Ų74.166%0.6644%0.439SS*.EExtended strand (participates in β ladder)trans-93.2139.8173.2-67.4167.6000110.9T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.6Å; T13-L17 VanDerWaalsContact CA-O 3.26Å; T13-L17 WeakPolarHBondContact CA-O 3.39Å; I14-L17 PolarHBondContact N-O 3.28Å; I14-L17 PolarHBondContact O-N 3.37Å; L15-L17 VanDerWaalsContact C-N 3.31Å; L15-L17 PolarHBondContact O-N 3.48Å; L17-A19 PolarHBondContact O-N 3.02Å
18P84.7Confident84.7Confident77 Ų7774.8 Ų74.850%0.544%0.439SS..EExtended strand (participates in β ladder)trans-70.5102.4177.428.9-33.4000110.5A20 V21P18-A20 PolarHBondContact O-N 3.46Å; P18-V21 HydrophobicContact CB-CG2 4.46Å; P18-V21 HydrophobicContact CG-CG2 4.19Å; P18-V21 PolarHBondContact O-N 3.01Å
19A85Confident85.1Confident18 Ų1878.7 Ų78.715%0.14945%0.454CS..THydrogen-bonded Turntrans-68.5-17.2176.900000112.2P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.2Å; P12-A19 HydrophobicContact CG-CB 4.27Å; P12-A19 WeakPolarHBondContact O-CB 3.41Å; P12-A19 PolarHBondContact O-N 3.17Å; I14-A19 HydrophobicContact CB-CB 4.48Å; I14-A19 HydrophobicContact CD1-CB 3.86Å; I14-A19 HydrophobicContact CG1-CB 3.93Å; L17-A19 PolarHBondContact O-N 3.02Å; A19-V21 PolarHBondContact O-N 3.1Å; A19-L22 WeakPolarHBondContact O-CB 3.43Å; A19-L22 PolarHBondContact O-N 2.96Å; A19-L22 VanDerWaalsContact O-N 3.08Å; A19-I23 PolarHBondContact O-N 2.97Å
20A84.9Confident85.4Confident19 Ų1981.3 Ų81.316%0.15747%0.469CS..Hα-helixtrans-53.4-33.4173.300000113.2P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 3.46Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 3.48Å; A20-I23 PolarHBondContact O-N 3.28Å; A20-I24 VanDerWaalsContact O-CG1 3.27Å; A20-I24 WeakPolarHBondContact O-CG1 3.22Å; A20-I24 PolarHBondContact O-N 3.07Å; A20-F92 HydrophobicContact CB-CE1 4.29Å
21V85.1Confident85.5Confident81 Ų8178.7 Ų78.749%0.49146%0.455SS..Hα-helixtrans-63.6-42178.6-179.90000111.2P18 A19 I23 I24 L25P18-V21 HydrophobicContact CB-CG2 4.46Å; P18-V21 HydrophobicContact CG-CG2 4.19Å; P18-V21 PolarHBondContact O-N 3.01Å; A19-V21 PolarHBondContact O-N 3.1Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.45Å; V21-I24 PolarHBondContact O-N 3.04Å; V21-L25 HydrophobicContact CG1-CD1 4.11Å; V21-L25 WeakPolarHBondContact O-CG 3.36Å; V21-L25 PolarHBondContact O-N 2.83Å; V21-L25 VanDerWaalsContact O-N 3.08Å
22L85.8Confident85.7Confident129 Ų12979 Ų7968%0.67545%0.453SS*.Hα-helixtrans-65.7-39178.9-166.5149.9000110.8A19 A20 L25 F26A19-L22 WeakPolarHBondContact O-CB 3.43Å; A19-L22 PolarHBondContact O-N 2.96Å; A19-L22 VanDerWaalsContact O-N 3.08Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 3.48Å; L22-L25 PolarHBondContact O-N 3.28Å; L22-F26 PolarHBondContact O-N 3.31Å
23I87.1Confident85.8Confident49 Ų4983.7 Ų83.725%0.25148%0.481SS..Hα-helixtrans-65.8-40.8177.3-59171.4000110.9P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.68Å; A19-I23 PolarHBondContact O-N 2.97Å; A20-I23 PolarHBondContact O-N 3.28Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.45Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.46Å; I23-F26 WeakPolarHBondContact O-CB 3.13Å; I23-F26 PolarHBondContact O-N 3.49Å; I23-P27 VanDerWaalsContact O-CD 3.28Å; I23-P27 WeakPolarHBondContact O-CD 3.32Å; I23-F92 HydrophobicContact CD1-CB 3.98Å; I23-F92 HydrophobicContact CD1-CD1 3.84Å; I23-F92 HydrophobicContact CD1-CG 4.3Å; I23-F92 HydrophobicContact CG2-CD1 4.47Å; I23-F92 WeakPolarHBondContact CG2-O 3.31Å
24I87.6Confident85.8Confident51 Ų5180.8 Ų80.826%0.26247%0.465SS..Hα-helixtrans-66.2-31.8176.7-68.6163.9000111.8A20 V21 F26 P27 F78 P94 M100A20-I24 VanDerWaalsContact O-CG1 3.27Å; A20-I24 WeakPolarHBondContact O-CG1 3.22Å; A20-I24 PolarHBondContact O-N 3.07Å; V21-I24 PolarHBondContact O-N 3.04Å; I24-F26 VanDerWaalsContact C-N 3.35Å; I24-P27 WeakPolarHBondContact O-CD 3.44Å; I24-F78 HydrophobicContact CG2-CZ 4.28Å; I24-P94 HydrophobicContact CD1-CB 4.24Å; I24-P94 HydrophobicContact CG1-CB 3.7Å; I24-P94 HydrophobicContact CG1-CG 4.03Å; I24-M100 HydrophobicContact CD1-SD 4.42Å; I24-M100 HydrophobicContact CG2-CE 4.35Å
25L86.6Confident85.7Confident119 Ų11985.5 Ų85.562%0.62348%0.481SS*.Hα-helixtrans-81.7-11.2178.5-71.7171.9000114V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.11Å; V21-L25 WeakPolarHBondContact O-CG 3.36Å; V21-L25 PolarHBondContact O-N 2.83Å; V21-L25 VanDerWaalsContact O-N 3.08Å; L22-L25 PolarHBondContact O-N 3.28Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.46Å; L25-P28 WeakPolarHBondContact O-CD 3.44Å
26F87.8Confident85.8Confident93 Ų9386.1 Ų86.141%0.40847%0.473SS..Hα-helixtrans-70.4-42.9-177.3-169.8-98.4000114.9L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 3.31Å; I23-F26 WeakPolarHBondContact O-CB 3.13Å; I23-F26 PolarHBondContact O-N 3.49Å; I24-F26 VanDerWaalsContact C-N 3.35Å; F26-L29 VanDerWaalsContact O-CB 3.31Å; F26-L29 WeakPolarHBondContact O-CB 3.46Å; F26-L29 PolarHBondContact O-N 3.09Å; F26-L30 HydrophobicContact CD1-CD1 4.27Å; F26-L30 HydrophobicContact CE1-CD1 3.99Å; F26-L30 HydrophobicContact CE1-CD2 4.3Å; F26-L30 HydrophobicContact CE1-CG 4.22Å; F26-L85 HydrophobicContact CD1-CD2 3.34Å; F26-L85 HydrophobicContact CE1-CD2 3.52Å
27P88.1Confident85.6Confident4 Ų491.3 Ų91.33%0.02648%0.483CS..Hα-helixtrans-57.6-41.9-178.7-15.421.9000115.3I23 I24 L29 L30 T81 T82I23-P27 VanDerWaalsContact O-CD 3.28Å; I23-P27 WeakPolarHBondContact O-CD 3.32Å; I24-P27 WeakPolarHBondContact O-CD 3.44Å; P27-L29 PolarHBondContact O-N 3.28Å; P27-L30 WeakPolarHBondContact O-CB 3.48Å; P27-L30 PolarHBondContact O-N 3.21Å; P27-L30 VanDerWaalsContact O-N 3.09Å; P27-T81 VanDerWaalsContact CB-OG1 3.32Å; P27-T81 WeakPolarHBondContact CB-OG1 2.93Å; P27-T82 HydrophobicContact CB-CG2 4.3Å; P27-T82 HydrophobicContact CG-CG2 3.55Å
28P84.2Confident85.6Confident70 Ų7092.7 Ų92.746%0.45549%0.489SS..Hα-helixtrans-56.1-32.1173.7-27.133.6000114.3L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.44Å; P28-L30 PolarHBondContact O-N 3.12Å; P28-I31 PolarHBondContact O-N 3.49Å
29L87.6Confident85.8Confident139 Ų13990.3 Ų90.373%0.72847%0.472SS*.Hα-helixtrans-68.5-24.8180-170.465.7000112.5F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.31Å; F26-L29 WeakPolarHBondContact O-CB 3.46Å; F26-L29 PolarHBondContact O-N 3.09Å; P27-L29 PolarHBondContact O-N 3.28Å; L29-I31 PolarHBondContact O-N 3.03Å
30L86.9Confident85.9Confident77 Ų7794.9 Ų94.940%0.40349%0.494SS..THydrogen-bonded Turntrans-76.3-4.5178.8-67171.7000113.8F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CD1-CD1 4.27Å; F26-L30 HydrophobicContact CE1-CD1 3.99Å; F26-L30 HydrophobicContact CE1-CD2 4.3Å; F26-L30 HydrophobicContact CE1-CG 4.22Å; P27-L30 WeakPolarHBondContact O-CB 3.48Å; P27-L30 PolarHBondContact O-N 3.21Å; P27-L30 VanDerWaalsContact O-N 3.09Å; P28-L30 PolarHBondContact O-N 3.12Å; L30-P32 WeakPolarHBondContact O-CD 3.25Å; L30-Q46 PolarHBondContact O-NE2 3.08Å; L30-L85 HydrophobicContact CD1-CD1 3.52Å; L30-L85 HydrophobicContact CD1-CD2 3.83Å; L30-L85 HydrophobicContact CD1-CG 4.12Å
31I87.1Confident86.1Confident54 Ų54104 Ų10428%0.27753%0.525SS..SBendtrans-108.381.4-179.9-53.7159.4000107.8P28 L29 T33 I77P28-I31 PolarHBondContact O-N 3.49Å; L29-I31 PolarHBondContact O-N 3.03Å; I31-T33 PolarHBondContact O-N 3.42Å; I31-I77 HydrophobicContact CD1-CG2 3.35Å; I31-I77 HydrophobicContact CG1-CG2 4.35Å
32P85.6Confident86.3Confident58 Ų58104.2 Ų104.238%0.37752%0.523SS..  trans-65.7136.8178.326.7-33.4000110.3L30 L42 I43L30-P32 WeakPolarHBondContact O-CD 3.25Å; P32-L42 HydrophobicContact CG-CD2 3.68Å; P32-I43 HydrophobicContact CB-CD1 4.36Å; P32-I43 HydrophobicContact CB-CG1 4.44Å; P32-I43 HydrophobicContact CG-CD1 4.39Å; P32-I43 HydrophobicContact CG-CG1 3.96Å
33T85.7Confident86.6Confident136 Ų13698.9 Ų98.983%0.83449%0.494SS*.  trans-104140.1170.559.40000109.4I31I31-T33 PolarHBondContact O-N 3.42Å
34S85.9Confident86.8Confident39 Ų3999.5 Ų99.527%0.27350%0.501SS..  trans-125.9146.2173.5560000110.5N39 I43S34-N39 WeakPolarHBondContact CB-OD1 3.5Å; S34-N39 PolarHBondContact OG-ND2 2.91Å; S34-N39 PolarHBondContact OG-OD1 3.31Å; S34-I43 WeakPolarHBondContact OG-CD1 3.48Å
35K84.5Confident86.9Confident213 Ų213101 Ų10193%0.92651%0.513SS*.  trans-87-10.5179-62.4-179.8-179177.80113
36Y85.6Confident87.1Confident187 Ų18797.6 Ų97.673%0.73349%0.494SS*.SBendtrans-83.1154.2-174.8-60.3-72000111.9N39Y36-N39 PolarHBondContact O-ND2 3.39Å; Y36-N39 PolarHBondContact O-OD1 3.19Å
37L77.9Confident87.2Confident178 Ų17897.9 Ų97.993%0.93250%0.496SS*.SBendtrans-73.3-39.6176.5-169.775.8000111.3
38I83.3Confident87.4Confident156 Ų156105.6 Ų105.680%0.853%0.525SS*.SBendtrans-100.1114174.7-58.4169.8000107.3
39N88.5Confident87.8Confident26 Ų26107.1 Ų107.114%0.13953%0.528CS..  trans-110.1166.9-173.1-69.1-30.6000112.4S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.5Å; S34-N39 PolarHBondContact OG-ND2 2.91Å; S34-N39 PolarHBondContact OG-OD1 3.31Å; Y36-N39 PolarHBondContact O-ND2 3.39Å; Y36-N39 PolarHBondContact O-OD1 3.19Å; N39-I43 HydrophobicContact CB-CB 3.92Å; N39-I43 HydrophobicContact CB-CG2 3.81Å; N39-T44 HydrophobicContact CB-CG2 4.08Å; N39-Q47 PolarHBondContact ND2-NE2 3.19Å
40N88.9Confident87.9Confident114 Ų114103.2 Ų103.261%0.6151%0.508SS*.  trans-61.6152.4172.1-166.21.5000110.8L42 I43 T44N40-L42 PolarHBondContact O-N 2.87Å; N40-L42 VanDerWaalsContact O-N 3.11Å; N40-I43 PolarHBondContact O-N 2.83Å; N40-T44 PolarHBondContact O-N 3.2Å
41R88.9Confident88.1Confident211 Ų211106.7 Ų106.780%0.79652%0.52SS*.Hα-helixtrans-51.6-37.4-178.7-65.1-176.7179.9-177.70.2113T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.26Å; R41-T44 PolarHBondContact O-N 3.06Å; R41-T44 PolarHBondContact O-OG1 3.4Å; R41-T45 WeakPolarHBondContact O-CG2 3.27Å; R41-T45 PolarHBondContact O-N 3.26Å; R41-T45 PolarHBondContact O-OG1 3.44Å
42L89.6Confident88.3Confident86 Ų86107.4 Ų107.445%0.4552%0.524SS..Hα-helixtrans-67-40.7178.7-171.2153.9000111.8P32 N40 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.68Å; N40-L42 PolarHBondContact O-N 2.87Å; N40-L42 VanDerWaalsContact O-N 3.11Å; L42-T45 PolarHBondContact O-OG1 3.44Å; L42-Q46 VanDerWaalsContact CD2-CD 3.42Å; L42-Q46 HydrophobicContact CD2-CG 4.23Å; L42-Q46 VanDerWaalsContact CD2-NE2 3.29Å; L42-Q46 WeakPolarHBondContact O-CB 3.42Å; L42-Q46 VanDerWaalsContact O-CG 3.24Å; L42-Q46 WeakPolarHBondContact O-CG 3.49Å; L42-Q46 PolarHBondContact O-N 3.43Å
43I91Very high88.4Confident16 Ų16105.7 Ų105.78%0.08251%0.512CS..Hα-helixtrans-71.8-37.1179.2-60.9174.1000110P32 S34 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.36Å; P32-I43 HydrophobicContact CB-CG1 4.44Å; P32-I43 HydrophobicContact CG-CD1 4.39Å; P32-I43 HydrophobicContact CG-CG1 3.96Å; S34-I43 WeakPolarHBondContact OG-CD1 3.48Å; N39-I43 HydrophobicContact CB-CB 3.92Å; N39-I43 HydrophobicContact CB-CG2 3.81Å; N40-I43 PolarHBondContact O-N 2.83Å; I43-Q46 PolarHBondContact O-N 2.99Å; I43-Q47 HydrophobicContact CG2-CG 4.25Å; I43-Q47 WeakPolarHBondContact O-CB 3.37Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.17Å; I43-Q47 PolarHBondContact O-N 3.47Å
44T91.1Very high88.6Confident63 Ų63100.7 Ų100.739%0.38748%0.483SS..Hα-helixtrans-67.3-40.5177.659.70000112.1N39 N40 R41 W48N39-T44 HydrophobicContact CB-CG2 4.08Å; N40-T44 PolarHBondContact O-N 3.2Å; R41-T44 WeakPolarHBondContact CA-OG1 3.26Å; R41-T44 PolarHBondContact O-N 3.06Å; R41-T44 PolarHBondContact O-OG1 3.4Å; T44-W48 VanDerWaalsContact O-CB 3.32Å; T44-W48 WeakPolarHBondContact O-CB 3.33Å; T44-W48 PolarHBondContact O-N 3.32Å
45T91.1Very high88.7Confident83 Ų83106 Ų10651%0.50950%0.501SS..Hα-helixtrans-66.7-40.9174.556.90000111.7R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.27Å; R41-T45 PolarHBondContact O-N 3.26Å; R41-T45 PolarHBondContact O-OG1 3.44Å; L42-T45 PolarHBondContact O-OG1 3.44Å; T45-W48 PolarHBondContact O-N 3.34Å; T45-L49 WeakPolarHBondContact O-CB 3Å; T45-L49 PolarHBondContact O-N 3.15Å
46Q90.6Very high88.8Confident47 Ų47101.6 Ų101.622%0.2248%0.484CS..Hα-helixtrans-60-50.1173.8-76.7177.2-16.300111.8L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 3.08Å; L42-Q46 VanDerWaalsContact CD2-CD 3.42Å; L42-Q46 HydrophobicContact CD2-CG 4.23Å; L42-Q46 VanDerWaalsContact CD2-NE2 3.29Å; L42-Q46 WeakPolarHBondContact O-CB 3.42Å; L42-Q46 VanDerWaalsContact O-CG 3.24Å; L42-Q46 WeakPolarHBondContact O-CG 3.49Å; L42-Q46 PolarHBondContact O-N 3.43Å; I43-Q46 PolarHBondContact O-N 2.99Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.42Å; Q46-L49 PolarHBondContact O-N 2.95Å; Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.31Å; Q46-I50 PolarHBondContact O-N 3.14Å
47Q90.1Very high88.7Confident99 Ų9993.3 Ų93.346%0.46345%0.452SS..Hα-helixtrans-60.7-38.8177.9-74.4175.4-10.100112.1N39 I43 K51N39-Q47 PolarHBondContact ND2-NE2 3.19Å; I43-Q47 HydrophobicContact CG2-CG 4.25Å; I43-Q47 WeakPolarHBondContact O-CB 3.37Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.17Å; I43-Q47 PolarHBondContact O-N 3.47Å; Q47-K51 WeakPolarHBondContact O-CB 3.2Å; Q47-K51 PolarHBondContact O-N 2.97Å
48W92.2Very high89Confident165 Ų16585.7 Ų85.763%0.62541%0.412SS*.Hα-helixtrans-63.2-44.7175.2-179.782.9000111.8T44 T45 Q46 K51 L52T44-W48 VanDerWaalsContact O-CB 3.32Å; T44-W48 WeakPolarHBondContact O-CB 3.33Å; T44-W48 PolarHBondContact O-N 3.32Å; T45-W48 PolarHBondContact O-N 3.34Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.42Å; W48-K51 PolarHBondContact O-N 3.47Å; W48-L52 HydrophobicContact CD2-CD1 3.74Å; W48-L52 HydrophobicContact CD2-CG 4.39Å; W48-L52 VanDerWaalsContact CE2-CD1 3.49Å; W48-L52 HydrophobicContact CE3-CD1 3.79Å; W48-L52 HydrophobicContact CH2-CD1 3.41Å; W48-L52 VanDerWaalsContact CH2-CD1 3.41Å; W48-L52 HydrophobicContact CZ2-CD1 3.36Å; W48-L52 HydrophobicContact CZ2-CG 4.43Å; W48-L52 HydrophobicContact CZ3-CD1 3.62Å; W48-L52 WeakPolarHBondContact O-CG 3.39Å; W48-L52 PolarHBondContact O-N 3.33Å
49L90.8Very high89.1Confident102 Ų10283.2 Ų83.253%0.53440%0.404SS..Hα-helixtrans-64.9-42.4178.9-147.4159.1000111.5T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3Å; T45-L49 PolarHBondContact O-N 3.15Å; Q46-L49 PolarHBondContact O-N 2.95Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.27Å; L49-L52 PolarHBondContact O-N 3.45Å; L49-T53 HydrophobicContact CD2-CG2 3.94Å; L49-T53 WeakPolarHBondContact O-CG2 3.22Å; L49-T53 PolarHBondContact O-N 3.15Å; L49-T53 PolarHBondContact O-OG1 3.3Å
50I91.1Very high88.5Confident57 Ų5788.4 Ų88.429%0.29243%0.429SS..Hα-helixtrans-62.5-41.3174.5-65.9171.5000111.2Q46 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.31Å; Q46-I50 PolarHBondContact O-N 3.14Å; I50-T53 WeakPolarHBondContact CA-OG1 3.32Å; I50-T53 PolarHBondContact O-OG1 3.22Å; I50-T53 VanDerWaalsContact O-OG1 3.07Å; I50-S54 VanDerWaalsContact O-CB 3.27Å; I50-S54 WeakPolarHBondContact O-CB 3.39Å; I50-S54 PolarHBondContact O-N 2.78Å; I50-S54 PolarHBondContact O-OG 2.74Å; I50-V73 HydrophobicContact CG2-CG1 3.79Å; I50-I77 HydrophobicContact CD1-CD1 3.84Å; I50-I77 HydrophobicContact CG1-CD1 3.7Å
51K91Very high88.2Confident150 Ų15083.8 Ų83.865%0.65240%0.404SS*.Hα-helixtrans-65.6-40178-175.7176.9179.1178.80112Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3.2Å; Q47-K51 PolarHBondContact O-N 2.97Å; W48-K51 PolarHBondContact O-N 3.47Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.27Å; K51-S54 PolarHBondContact O-OG 3.2Å; K51-S54 VanDerWaalsContact O-OG 3.13Å; K51-K55 VanDerWaalsContact O-CB 3.23Å; K51-K55 WeakPolarHBondContact O-CB 3.33Å; K51-K55 PolarHBondContact O-N 2.93Å; K51-K55 VanDerWaalsContact O-N 3.07Å
52L91.1Very high87.8Confident69 Ų6978.9 Ų78.936%0.36139%0.393SS..Hα-helixtrans-67.4-50.2178.3-74.6177.8000112.1W48 L49 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.74Å; W48-L52 HydrophobicContact CD2-CG 4.39Å; W48-L52 VanDerWaalsContact CE2-CD1 3.49Å; W48-L52 HydrophobicContact CE3-CD1 3.79Å; W48-L52 HydrophobicContact CH2-CD1 3.41Å; W48-L52 VanDerWaalsContact CH2-CD1 3.41Å; W48-L52 HydrophobicContact CZ2-CD1 3.36Å; W48-L52 HydrophobicContact CZ2-CG 4.43Å; W48-L52 HydrophobicContact CZ3-CD1 3.62Å; W48-L52 WeakPolarHBondContact O-CG 3.39Å; W48-L52 PolarHBondContact O-N 3.33Å; L49-L52 PolarHBondContact O-N 3.45Å; L52-K55 PolarHBondContact O-N 2.83Å; L52-Q56 WeakPolarHBondContact O-CG 3.31Å; L52-Q56 PolarHBondContact O-N 3.42Å
53T87.9Confident87.3Confident23 Ų2380.9 Ų80.914%0.14141%0.409CS..Hα-helixtrans-61.7-47.3-179.548.80000111.5L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 3.94Å; L49-T53 WeakPolarHBondContact O-CG2 3.22Å; L49-T53 PolarHBondContact O-N 3.15Å; L49-T53 PolarHBondContact O-OG1 3.3Å; I50-T53 WeakPolarHBondContact CA-OG1 3.32Å; I50-T53 PolarHBondContact O-OG1 3.22Å; I50-T53 VanDerWaalsContact O-OG1 3.07Å; T53-K55 VanDerWaalsContact C-N 3.35Å; T53-K55 PolarHBondContact O-N 3.29Å; T53-Q56 PolarHBondContact O-N 2.97Å; T53-M57 WeakPolarHBondContact O-CG 3.3Å; T53-M57 PolarHBondContact O-N 3.33Å
54S88.8Confident86.7Confident30 Ų3085.9 Ų85.921%0.2143%0.43CS..Hα-helixtrans-61.9-4017659.50000112.5I50 K51 M58I50-S54 VanDerWaalsContact O-CB 3.27Å; I50-S54 WeakPolarHBondContact O-CB 3.39Å; I50-S54 PolarHBondContact O-N 2.78Å; I50-S54 PolarHBondContact O-OG 2.74Å; K51-S54 PolarHBondContact O-OG 3.2Å; K51-S54 VanDerWaalsContact O-OG 3.13Å; S54-M58 VanDerWaalsContact O-CB 3.24Å; S54-M58 WeakPolarHBondContact O-CB 3.34Å; S54-M58 WeakPolarHBondContact O-CG 3.38Å; S54-M58 PolarHBondContact O-N 3.43Å
55K88.9Confident86Confident152 Ų15282.9 Ų82.966%0.66141%0.412SS*.Hα-helixtrans-62.9-45.7176.5-174.8179.1177.7-175.10111.4K51 L52 T53 T59K51-K55 VanDerWaalsContact O-CB 3.23Å; K51-K55 WeakPolarHBondContact O-CB 3.33Å; K51-K55 PolarHBondContact O-N 2.93Å; K51-K55 VanDerWaalsContact O-N 3.07Å; L52-K55 PolarHBondContact O-N 2.83Å; T53-K55 VanDerWaalsContact C-N 3.35Å; T53-K55 PolarHBondContact O-N 3.29Å; K55-T59 WeakPolarHBondContact O-CG2 3.43Å; K55-T59 PolarHBondContact O-N 3.37Å
56Q86.6Confident85.7Confident120 Ų12086.9 Ų86.956%0.56142%0.418SS*.Hα-helixtrans-68.2-38.8-178.9-73.9179.6-23.300113L52 T53 T59L52-Q56 WeakPolarHBondContact O-CG 3.31Å; L52-Q56 PolarHBondContact O-N 3.42Å; T53-Q56 PolarHBondContact O-N 2.97Å; Q56-T59 PolarHBondContact O-OG1 3.18Å
57M84.2Confident85.4Confident12 Ų1289.6 Ų89.66%0.05944%0.437CS..Hα-helixtrans-73.6-36.7179.2-71-173.6157.600112.5T53 T59 H61 I76 Y212 T215T53-M57 WeakPolarHBondContact O-CG 3.3Å; T53-M57 PolarHBondContact O-N 3.33Å; M57-T59 PolarHBondContact O-N 2.92Å; M57-H61 PolarHBondContact O-ND1 3.1Å; M57-I76 HydrophobicContact CE-CD1 3.96Å; M57-Y212 HydrophobicContact CE-CD2 4.45Å; M57-T215 WeakPolarHBondContact CE-OG1 3.32Å
58M84.3Confident85.2Confident19 Ų1987.2 Ų87.29%0.09442%0.424CS..Hα-helixtrans-81.3-11.7-175.5-65-57.9122.100114.1S54 M60 H61 R66 S69 L72S54-M58 VanDerWaalsContact O-CB 3.24Å; S54-M58 WeakPolarHBondContact O-CB 3.34Å; S54-M58 WeakPolarHBondContact O-CG 3.38Å; S54-M58 PolarHBondContact O-N 3.43Å; M58-M60 PolarHBondContact O-N 2.93Å; M58-H61 PolarHBondContact O-N 3.07Å; M58-R66 HydrophobicContact CG-CG 4.37Å; M58-R66 HydrophobicContact SD-CB 4.44Å; M58-R66 HydrophobicContact SD-CG 4.04Å; M58-S69 VanDerWaalsContact SD-CB 3.53Å; M58-L72 HydrophobicContact CE-CD1 3.78Å
59T84.2Confident85Confident103 Ų10380.7 Ų80.763%0.63240%0.404SS*.THydrogen-bonded Turntrans-62.8-29.2175.654.10000112.5K55 Q56 M57 H61K55-T59 WeakPolarHBondContact O-CG2 3.43Å; K55-T59 PolarHBondContact O-N 3.37Å; Q56-T59 PolarHBondContact O-OG1 3.18Å; M57-T59 PolarHBondContact O-N 2.92Å; T59-H61 VanDerWaalsContact C-N 3.34Å
60M76.9Confident85Confident136 Ų13682.9 Ų82.967%0.6742%0.415SS*.THydrogen-bonded Turntrans-83.1-10.4-178.9-54.6-114.585.500112.6M58 H223M58-M60 PolarHBondContact O-N 2.93Å; M60-H223 PolarHBondContact O-CE1 3.37Å; M60-H223 PolarHBondContact O-ND1 3.45Å
61H82.3Confident85Confident17 Ų1783.2 Ų83.28%0.07942%0.416CS..  trans-107.5142-167.4-72.277.4000113.8M57 M58 T59 S219M57-H61 PolarHBondContact O-ND1 3.1Å; M58-H61 PolarHBondContact O-N 3.07Å; T59-H61 VanDerWaalsContact C-N 3.34Å; H61-S219 PolarHBondContact CE1-O 3.39Å; H61-S219 PolarHBondContact NE2-O 2.99Å
62N79.5Confident84.9Confident107 Ų10776.1 Ų76.157%0.57239%0.386SS*.  trans-72.9171.6168.1-84.7-22.9000112.4K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.27Å; N62-K64 PolarHBondContact O-N 3.3Å; N62-G65 PolarHBondContact O-N 3.35Å; N62-R66 PolarHBondContact O-N 3.48Å
63T79.7Confident84.9Confident128 Ų12873.7 Ų73.779%0.78537%0.373SS*.THydrogen-bonded Turntrans-53.5-38.2-177.153.80000113.9
64K78.1Confident85Confident122 Ų12275.8 Ų75.853%0.5339%0.389SS..THydrogen-bonded Turntrans-67.9-46.1174.7-70.3-177.4-178.6175.90112.2N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.27Å; N62-K64 PolarHBondContact O-N 3.3Å; K64-R66 VanDerWaalsContact C-N 3.25Å; K64-R66 PolarHBondContact O-N 2.9Å; K64-T67 WeakPolarHBondContact O-CB 3.37Å; K64-T67 PolarHBondContact O-N 3.35Å; K64-T67 PolarHBondContact O-OG1 3.19Å
65G77.6Confident85.1Confident0 Ų075.1 Ų75.10%038%0.383CS..G310 helixtrans-62.9-32177.300000112.8N62 T67 W68N62-G65 PolarHBondContact O-N 3.35Å; G65-T67 PolarHBondContact O-N 2.64Å; G65-T67 VanDerWaalsContact O-N 3.13Å; G65-W68 WeakPolarHBondContact O-CB 3.35Å; G65-W68 PolarHBondContact O-N 3.35Å
66R83Confident85.1Confident167 Ų16768.6 Ų68.663%0.6336%0.355SS*.G310 helixtrans-63.1-20177.3-161172.8-178.6-177.4-0.3113.8M58 N62 K64 W68 S69M58-R66 HydrophobicContact CG-CG 4.37Å; M58-R66 HydrophobicContact SD-CB 4.44Å; M58-R66 HydrophobicContact SD-CG 4.04Å; N62-R66 PolarHBondContact O-N 3.48Å; K64-R66 VanDerWaalsContact C-N 3.25Å; K64-R66 PolarHBondContact O-N 2.9Å; R66-W68 PolarHBondContact O-N 3.17Å; R66-S69 WeakPolarHBondContact O-CB 3.39Å; R66-S69 PolarHBondContact O-N 3.03Å; R66-S69 VanDerWaalsContact O-N 3.14Å
67T85.9Confident85.4Confident103 Ų10364.9 Ų64.963%0.63234%0.339SS*.G310 helixtrans-64.1-26.2173.7630000112.6K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.37Å; K64-T67 PolarHBondContact O-N 3.35Å; K64-T67 PolarHBondContact O-OG1 3.19Å; G65-T67 PolarHBondContact O-N 2.64Å; G65-T67 VanDerWaalsContact O-N 3.13Å; T67-S69 VanDerWaalsContact C-N 3.27Å; T67-S69 PolarHBondContact O-N 3.08Å
68W86.1Confident85.6Confident50 Ų5066.6 Ų66.619%0.18935%0.346CS..G310 helixtrans-83.90.4177.2-73.154.9000113.4G65 R66 L70 M71 L72 M115 L222G65-W68 WeakPolarHBondContact O-CB 3.35Å; G65-W68 PolarHBondContact O-N 3.35Å; R66-W68 PolarHBondContact O-N 3.17Å; W68-L70 VanDerWaalsContact C-N 3.29Å; W68-L70 PolarHBondContact O-N 3.46Å; W68-M71 HydrophobicContact CD2-CE 3.99Å; W68-M71 HydrophobicContact CE3-CE 3.02Å; W68-M71 HydrophobicContact CE3-SD 4.33Å; W68-M71 HydrophobicContact CH2-CE 4.24Å; W68-M71 HydrophobicContact CZ3-CE 3.19Å; W68-M71 HydrophobicContact CZ3-SD 4.25Å; W68-M71 PolarHBondContact O-N 3.17Å; W68-M71 VanDerWaalsContact O-N 3.08Å; W68-L72 PolarHBondContact O-N 2.8Å; W68-M115 HydrophobicContact CZ2-SD 3.86Å; W68-M115 PolarHBondContact NE1-SD 2.7Å; W68-L222 HydrophobicContact CB-CD2 3.51Å; W68-L222 HydrophobicContact CD2-CD1 3.55Å; W68-L222 HydrophobicContact CD2-CD2 4.18Å; W68-L222 HydrophobicContact CE3-CD1 3.6Å; W68-L222 HydrophobicContact CE3-CD2 4.44Å; W68-L222 HydrophobicContact CG-CD1 3.9Å; W68-L222 HydrophobicContact CG-CD2 3.7Å; W68-L222 HydrophobicContact CG-CG 4.47Å; W68-L222 HydrophobicContact CZ3-CD1 4.17Å
69S87.2Confident85.9Confident27 Ų2765.7 Ų65.719%0.18934%0.342CS..Hα-helixtrans-53.1-45.8-178.9-1790000112.6M58 R66 T67 M71 L72 V73M58-S69 VanDerWaalsContact SD-CB 3.53Å; R66-S69 WeakPolarHBondContact O-CB 3.39Å; R66-S69 PolarHBondContact O-N 3.03Å; R66-S69 VanDerWaalsContact O-N 3.14Å; T67-S69 VanDerWaalsContact C-N 3.27Å; T67-S69 PolarHBondContact O-N 3.08Å; S69-M71 VanDerWaalsContact C-N 3.27Å; S69-M71 PolarHBondContact O-N 3.31Å; S69-L72 PolarHBondContact O-N 3.35Å; S69-V73 WeakPolarHBondContact O-CB 3.39Å; S69-V73 VanDerWaalsContact O-CG2 3.23Å; S69-V73 WeakPolarHBondContact O-CG2 3.44Å; S69-V73 PolarHBondContact O-N 3.01Å
70L90.6Very high86.2Confident149 Ų14961.6 Ų61.678%0.7832%0.318SS*.Hα-helixtrans-58-43.3-179.6-169.991.9000111.4W68 S74W68-L70 VanDerWaalsContact C-N 3.29Å; W68-L70 PolarHBondContact O-N 3.46Å; L70-S74 WeakPolarHBondContact O-CB 3.49Å; L70-S74 PolarHBondContact O-N 3.02Å; L70-S74 PolarHBondContact O-OG 3.12Å
71M90.6Very high86.8Confident64 Ų6456.5 Ų56.532%0.31530%0.295SS..Hα-helixtrans-72.3-40-176.8-167.9-175.168.400112.1W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 3.99Å; W68-M71 HydrophobicContact CE3-CE 3.02Å; W68-M71 HydrophobicContact CE3-SD 4.33Å; W68-M71 HydrophobicContact CH2-CE 4.24Å; W68-M71 HydrophobicContact CZ3-CE 3.19Å; W68-M71 HydrophobicContact CZ3-SD 4.25Å; W68-M71 PolarHBondContact O-N 3.17Å; W68-M71 VanDerWaalsContact O-N 3.08Å; S69-M71 VanDerWaalsContact C-N 3.27Å; S69-M71 PolarHBondContact O-N 3.31Å; M71-V73 VanDerWaalsContact C-N 3.33Å; M71-S74 PolarHBondContact O-N 3.13Å; M71-S74 PolarHBondContact O-OG 3.24Å; M71-L75 WeakPolarHBondContact O-CB 3.32Å; M71-L75 PolarHBondContact O-N 2.85Å; M71-L108 HydrophobicContact CE-CD2 3.27Å; M71-L108 HydrophobicContact CG-CD2 4.22Å; M71-L108 HydrophobicContact SD-CD2 3.56Å; M71-L108 VanDerWaalsContact SD-CD2 3.56Å
72L89.3Confident87.2Confident1 Ų156 Ų561%0.00529%0.292CS..Hα-helixtrans-65.6-39176.2-71.2169.8000111.7M58 W68 S69 I76 V218M58-L72 HydrophobicContact CE-CD1 3.78Å; W68-L72 PolarHBondContact O-N 2.8Å; S69-L72 PolarHBondContact O-N 3.35Å; L72-I76 PolarHBondContact O-N 3.35Å; L72-V218 HydrophobicContact CD2-CB 4.21Å; L72-V218 HydrophobicContact CD2-CG1 3.82Å
73V90.9Very high87.7Confident17 Ų1751 Ų5110%0.10327%0.266CS..Hα-helixtrans-69.7-42.2177.1172.50000111.5I50 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.79Å; S69-V73 WeakPolarHBondContact O-CB 3.39Å; S69-V73 VanDerWaalsContact O-CG2 3.23Å; S69-V73 WeakPolarHBondContact O-CG2 3.44Å; S69-V73 PolarHBondContact O-N 3.01Å; M71-V73 VanDerWaalsContact C-N 3.33Å; V73-L75 VanDerWaalsContact C-N 3.31Å; V73-L75 PolarHBondContact O-N 3.2Å; V73-I76 VanDerWaalsContact O-CG2 3.31Å; V73-I76 WeakPolarHBondContact O-CG2 3.19Å; V73-I77 HydrophobicContact CG1-CD1 3.78Å; V73-I77 VanDerWaalsContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CD1 3.49Å; V73-I77 WeakPolarHBondContact O-CG1 3.21Å; V73-I77 PolarHBondContact O-N 3.41Å
74S91.1Very high88.1Confident67 Ų6748.4 Ų48.447%0.46925%0.247SC..Hα-helixtrans-65.1-38.9176.464.40000111.6L70 M71 F78L70-S74 WeakPolarHBondContact O-CB 3.49Å; L70-S74 PolarHBondContact O-N 3.02Å; L70-S74 PolarHBondContact O-OG 3.12Å; M71-S74 PolarHBondContact O-N 3.13Å; M71-S74 PolarHBondContact O-OG 3.24Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.29Å; S74-F78 PolarHBondContact O-N 3.13Å
75L89.8Confident88.6Confident16 Ų1644.4 Ų44.48%0.08423%0.231CC..Hα-helixtrans-62-50.4177.4-176.582.7000112.5M71 V73 I77 F78 I79 L108 F214 T215M71-L75 WeakPolarHBondContact O-CB 3.32Å; M71-L75 PolarHBondContact O-N 2.85Å; V73-L75 VanDerWaalsContact C-N 3.31Å; V73-L75 PolarHBondContact O-N 3.2Å; L75-I77 VanDerWaalsContact C-N 3.3Å; L75-I77 PolarHBondContact O-N 3.08Å; L75-F78 PolarHBondContact O-N 3.21Å; L75-I79 HydrophobicContact CD1-CD1 3.98Å; L75-I79 HydrophobicContact CG-CD1 3.84Å; L75-I79 WeakPolarHBondContact O-CG1 3.46Å; L75-I79 PolarHBondContact O-N 3.19Å; L75-L108 HydrophobicContact CD1-CD1 3.43Å; L75-L108 VanDerWaalsContact CD1-CD1 3.43Å; L75-L108 HydrophobicContact CD2-CD1 3.87Å; L75-L108 HydrophobicContact CG-CD1 4.28Å; L75-F214 HydrophobicContact CD1-CE1 4.2Å; L75-F214 HydrophobicContact CD2-CD1 3.93Å; L75-F214 HydrophobicContact CD2-CE1 3.78Å; L75-F214 HydrophobicContact CG-CE1 4.28Å; L75-T215 HydrophobicContact CB-CG2 4.43Å; L75-T215 HydrophobicContact CD2-CG2 3.57Å; L75-T215 HydrophobicContact CG-CG2 4.01Å
76I90.5Very high88.9Confident16 Ų1644.4 Ų44.48%0.08223%0.231CC..Hα-helixtrans-61.9-41.8-178.8-166.2174.6000111.1M57 L72 V73 A80 T215M57-I76 HydrophobicContact CE-CD1 3.96Å; L72-I76 PolarHBondContact O-N 3.35Å; V73-I76 VanDerWaalsContact O-CG2 3.31Å; V73-I76 WeakPolarHBondContact O-CG2 3.19Å; I76-A80 WeakPolarHBondContact O-CB 3.18Å; I76-A80 PolarHBondContact O-N 3Å; I76-T215 HydrophobicContact CB-CG2 3.53Å; I76-T215 HydrophobicContact CG1-CG2 3.97Å
77I90.9Very high89.1Confident41 Ų4138.4 Ų38.421%0.2121%0.211CC..Hα-helixtrans-66.3-42.9179.3-63165000110.4I31 I50 V73 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.35Å; I31-I77 HydrophobicContact CG1-CG2 4.35Å; I50-I77 HydrophobicContact CD1-CD1 3.84Å; I50-I77 HydrophobicContact CG1-CD1 3.7Å; V73-I77 HydrophobicContact CG1-CD1 3.78Å; V73-I77 VanDerWaalsContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CD1 3.49Å; V73-I77 WeakPolarHBondContact O-CG1 3.21Å; V73-I77 PolarHBondContact O-N 3.41Å; L75-I77 VanDerWaalsContact C-N 3.3Å; L75-I77 PolarHBondContact O-N 3.08Å; I77-T81 HydrophobicContact CG2-CG2 4.38Å; I77-T81 WeakPolarHBondContact O-CB 3.46Å; I77-T81 VanDerWaalsContact O-CG2 3.29Å; I77-T81 WeakPolarHBondContact O-CG2 3.3Å; I77-T81 PolarHBondContact O-N 2.91Å; I77-T81 PolarHBondContact O-OG1 3.49Å
78F90.2Very high89.1Confident49 Ų4938.1 Ų38.122%0.21521%0.206CC..Hα-helixtrans-61.2-53.5178.7179.4-104000111.7I24 S74 L75 A80 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.28Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.29Å; S74-F78 PolarHBondContact O-N 3.13Å; L75-F78 PolarHBondContact O-N 3.21Å; F78-A80 VanDerWaalsContact C-N 3.34Å; F78-A80 PolarHBondContact O-N 3.38Å; F78-T81 PolarHBondContact O-N 3.08Å; F78-T81 PolarHBondContact O-OG1 3.5Å; F78-T82 HydrophobicContact CD2-CG2 4.4Å; F78-T82 HydrophobicContact CE1-CG2 4.2Å; F78-T82 HydrophobicContact CE2-CG2 4Å; F78-T82 HydrophobicContact CZ-CG2 3.89Å; F78-T82 WeakPolarHBondContact O-CG2 3.43Å; F78-T82 PolarHBondContact O-N 2.92Å; F78-T82 PolarHBondContact O-OG1 2.95Å; F78-T82 VanDerWaalsContact O-OG1 3.12Å; F78-M100 HydrophobicContact CE1-CE 3.81Å; F78-M100 HydrophobicContact CZ-CE 3.83Å; F78-M104 HydrophobicContact CD1-SD 3.93Å; F78-M104 HydrophobicContact CE1-SD 3.62Å
79I89.9Confident88.9Confident0 Ų040.9 Ų40.90%023%0.23CC..Hα-helixtrans-65.9-39.8-177.8-54.4169.5000110.4L75 T82 N83 M104 L160 T211 F214L75-I79 HydrophobicContact CD1-CD1 3.98Å; L75-I79 HydrophobicContact CG-CD1 3.84Å; L75-I79 WeakPolarHBondContact O-CG1 3.46Å; L75-I79 PolarHBondContact O-N 3.19Å; I79-T82 WeakPolarHBondContact CA-OG1 3.49Å; I79-T82 PolarHBondContact O-N 2.95Å; I79-T82 PolarHBondContact O-OG1 3.03Å; I79-N83 WeakPolarHBondContact O-CB 3.49Å; I79-N83 PolarHBondContact O-N 3.09Å; I79-N83 PolarHBondContact O-ND2 2.9Å; I79-M104 HydrophobicContact CG1-SD 4.45Å; I79-L160 HydrophobicContact CG2-CD1 4.26Å; I79-L160 HydrophobicContact CG2-CD2 3.98Å; I79-T211 HydrophobicContact CB-CG2 4.04Å; I79-T211 HydrophobicContact CG2-CG2 3.59Å; I79-F214 HydrophobicContact CD1-CD1 3.47Å; I79-F214 VanDerWaalsContact CD1-CD1 3.47Å; I79-F214 HydrophobicContact CD1-CE1 3.68Å; I79-F214 HydrophobicContact CD1-CG 3.99Å; I79-F214 HydrophobicContact CD1-CZ 4.34Å
80A89.5Confident88.6Confident17 Ų1751.4 Ų51.414%0.1427%0.267CS..Hα-helixtrans-64.3-43.7-179.300000111.5I76 F78 L84 T211I76-A80 WeakPolarHBondContact O-CB 3.18Å; I76-A80 PolarHBondContact O-N 3Å; F78-A80 VanDerWaalsContact C-N 3.34Å; F78-A80 PolarHBondContact O-N 3.38Å; A80-L84 WeakPolarHBondContact O-CB 3.4Å; A80-L84 VanDerWaalsContact O-CG 3.32Å; A80-L84 WeakPolarHBondContact O-CG 3.19Å; A80-L84 PolarHBondContact O-N 3.37Å; A80-T211 HydrophobicContact CB-CG2 4.08Å
81T90.3Very high88.2Confident29 Ų2946 Ų4618%0.17824%0.242CC..Hα-helixtrans-66.7-48.1176.652.30000111.1P27 I77 F78 N83 L84 L85P27-T81 VanDerWaalsContact CB-OG1 3.32Å; P27-T81 WeakPolarHBondContact CB-OG1 2.93Å; I77-T81 HydrophobicContact CG2-CG2 4.38Å; I77-T81 WeakPolarHBondContact O-CB 3.46Å; I77-T81 VanDerWaalsContact O-CG2 3.29Å; I77-T81 WeakPolarHBondContact O-CG2 3.3Å; I77-T81 PolarHBondContact O-N 2.91Å; I77-T81 PolarHBondContact O-OG1 3.49Å; F78-T81 PolarHBondContact O-N 3.08Å; F78-T81 PolarHBondContact O-OG1 3.5Å; T81-N83 VanDerWaalsContact C-N 3.29Å; T81-N83 PolarHBondContact O-N 3Å; T81-L84 PolarHBondContact O-N 3.13Å; T81-L85 WeakPolarHBondContact O-CD1 3.21Å; T81-L85 PolarHBondContact O-N 3.47Å
82T89.8Confident87.8Confident5 Ų544.3 Ų44.33%0.03123%0.233CC..Hα-helixtrans-58.4-39.3178.452.40000113.2P27 F78 I79 G86 P94 T95P27-T82 HydrophobicContact CB-CG2 4.3Å; P27-T82 HydrophobicContact CG-CG2 3.55Å; F78-T82 HydrophobicContact CD2-CG2 4.4Å; F78-T82 HydrophobicContact CE1-CG2 4.2Å; F78-T82 HydrophobicContact CE2-CG2 4Å; F78-T82 HydrophobicContact CZ-CG2 3.89Å; F78-T82 WeakPolarHBondContact O-CG2 3.43Å; F78-T82 PolarHBondContact O-N 2.92Å; F78-T82 PolarHBondContact O-OG1 2.95Å; F78-T82 VanDerWaalsContact O-OG1 3.12Å; I79-T82 WeakPolarHBondContact CA-OG1 3.49Å; I79-T82 PolarHBondContact O-N 2.95Å; I79-T82 PolarHBondContact O-OG1 3.03Å; T82-G86 PolarHBondContact O-N 3.32Å; T82-G86 VanDerWaalsContact O-N 3.11Å; T82-P94 HydrophobicContact CG2-CG 4.48Å; T82-T95 WeakPolarHBondContact OG1-CG2 3.05Å
83N90Very high87.5Confident4 Ų444.4 Ų44.42%0.02123%0.234CC..Hα-helixtrans-72.8-41.6-179.8-68.9-8.1000112.1I79 T81 G86 L87 T95 L160 I164 A207 T211I79-N83 WeakPolarHBondContact O-CB 3.49Å; I79-N83 PolarHBondContact O-N 3.09Å; I79-N83 PolarHBondContact O-ND2 2.9Å; T81-N83 VanDerWaalsContact C-N 3.29Å; T81-N83 PolarHBondContact O-N 3Å; N83-G86 WeakPolarHBondContact O-CA 3.26Å; N83-G86 PolarHBondContact O-N 3.47Å; N83-G86 VanDerWaalsContact O-N 3.14Å; N83-L87 PolarHBondContact O-N 2.95Å; N83-T95 WeakPolarHBondContact OD1-CB 3.46Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.49Å; N83-T95 PolarHBondContact OD1-OG1 3.41Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.31Å; N83-I164 HydrophobicContact CB-CD1 4.39Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.44Å; N83-A207 HydrophobicContact CB-CB 4.05Å; N83-T211 WeakPolarHBondContact ND2-CG2 2.97Å
84L88.8Confident87Confident72 Ų7244 Ų4438%0.37723%0.231SC..Hα-helixtrans-66.5-42.4178.4-77.9168.2000112A80 T81 G86 L87 I204A80-L84 WeakPolarHBondContact O-CB 3.4Å; A80-L84 VanDerWaalsContact O-CG 3.32Å; A80-L84 WeakPolarHBondContact O-CG 3.19Å; A80-L84 PolarHBondContact O-N 3.37Å; T81-L84 PolarHBondContact O-N 3.13Å; L84-G86 PolarHBondContact O-N 3.34Å; L84-L87 PolarHBondContact O-N 3.26Å; L84-I204 HydrophobicContact CD2-CG2 4.25Å
85L88.6Confident86.7Confident38 Ų3840.8 Ų40.820%0.19921%0.209CC..Hα-helixtrans-61.2-32.1172.5-87.793.1000111.9F26 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD2 3.34Å; F26-L85 HydrophobicContact CE1-CD2 3.52Å; L30-L85 HydrophobicContact CD1-CD1 3.52Å; L30-L85 HydrophobicContact CD1-CD2 3.83Å; L30-L85 HydrophobicContact CD1-CG 4.12Å; T81-L85 WeakPolarHBondContact O-CD1 3.21Å; T81-L85 PolarHBondContact O-N 3.47Å; L85-L87 VanDerWaalsContact C-N 3.26Å; L85-L87 PolarHBondContact O-N 3.08Å; L85-L88 VanDerWaalsContact O-CB 3.24Å; L85-L88 WeakPolarHBondContact O-CB 3.5Å; L85-L88 VanDerWaalsContact O-CG 3.3Å; L85-L88 WeakPolarHBondContact O-CG 3.35Å; L85-L88 PolarHBondContact O-N 3.08Å; L85-L88 VanDerWaalsContact O-N 3.15Å; L85-S91 PolarHBondContact O-OG 3.4Å
86G84.9Confident86.5Confident1 Ų140.5 Ų40.51%0.0121%0.208CC..Hα-helixtrans-60.5-31.9178.700000116.4T82 N83 L84 L88 S91 H168T82-G86 PolarHBondContact O-N 3.32Å; T82-G86 VanDerWaalsContact O-N 3.11Å; N83-G86 WeakPolarHBondContact O-CA 3.26Å; N83-G86 PolarHBondContact O-N 3.47Å; N83-G86 VanDerWaalsContact O-N 3.14Å; L84-G86 PolarHBondContact O-N 3.34Å; G86-L88 PolarHBondContact O-N 3.29Å; G86-S91 VanDerWaalsContact C-OG 3.3Å; G86-S91 WeakPolarHBondContact CA-OG 3.43Å; G86-S91 PolarHBondContact O-OG 3.33Å; G86-H168 PolarHBondContact O-CE1 3.35Å; G86-H168 PolarHBondContact O-NE2 3.41Å
87L85.9Confident86.3Confident40 Ų4043 Ų4321%0.20922%0.219CC..THydrogen-bonded Turntrans-76.2-5.8179.8-60.9174.2000112.5N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 2.95Å; L84-L87 PolarHBondContact O-N 3.26Å; L85-L87 VanDerWaalsContact C-N 3.26Å; L85-L87 PolarHBondContact O-N 3.08Å; L87-M171 HydrophobicContact CD2-CE 4.06Å; L87-E203 HydrophobicContact CD2-CB 4.17Å; L87-E203 HydrophobicContact CD2-CG 3.41Å; L87-E203 VanDerWaalsContact CD2-CG 3.41Å; L87-I204 HydrophobicContact CD1-CB 4.19Å; L87-I204 HydrophobicContact CD1-CG1 3.58Å; L87-A207 HydrophobicContact CD1-CB 4.16Å
88L86.6Confident86.1Confident98 Ų9844.2 Ų44.251%0.51323%0.226SC..SBendtrans-68142.3174.4-64.5173.5000110.6L85 G86 Y90 S91L85-L88 VanDerWaalsContact O-CB 3.24Å; L85-L88 WeakPolarHBondContact O-CB 3.5Å; L85-L88 VanDerWaalsContact O-CG 3.3Å; L85-L88 WeakPolarHBondContact O-CG 3.35Å; L85-L88 PolarHBondContact O-N 3.08Å; L85-L88 VanDerWaalsContact O-N 3.15Å; G86-L88 PolarHBondContact O-N 3.29Å; L88-Y90 PolarHBondContact O-N 3.41Å; L88-S91 WeakPolarHBondContact O-CB 3.38Å; L88-S91 PolarHBondContact O-N 3.37Å; L88-S91 PolarHBondContact O-OG 3.27Å
89P81.1Confident85.9Confident108 Ų10845.9 Ų45.970%0.70124%0.244SC*.THydrogen-bonded Turntrans-59.7135.8-179.625.8-34.3000110.6S91P89-S91 PolarHBondContact O-N 2.8Å; P89-S91 VanDerWaalsContact O-N 3.15Å
90Y81.1Confident85.8Confident247 Ų24747.9 Ų47.997%0.96925%0.253SS*.THydrogen-bonded Turntrans60.114.8-179.1-53.6-74.7000115.8L88L88-Y90 PolarHBondContact O-N 3.41Å
91S83.1Confident85.7Confident36 Ų3647 Ų4725%0.25225%0.247SC..  trans-81.4141.1172.475.30000111.1L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 3.4Å; G86-S91 VanDerWaalsContact C-OG 3.3Å; G86-S91 WeakPolarHBondContact CA-OG 3.43Å; G86-S91 PolarHBondContact O-OG 3.33Å; L88-S91 WeakPolarHBondContact O-CB 3.38Å; L88-S91 PolarHBondContact O-N 3.37Å; L88-S91 PolarHBondContact O-OG 3.27Å; P89-S91 PolarHBondContact O-N 2.8Å; P89-S91 VanDerWaalsContact O-N 3.15Å
92F81.4Confident85.4Confident28 Ų2847.6 Ų47.612%0.12325%0.248CC..  trans-88.4125169.8170.9-93.8000109.2S8 A11 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.34Å; A11-F92 HydrophobicContact CB-CZ 4.42Å; P12-F92 HydrophobicContact CG-CB 4.37Å; P12-F92 HydrophobicContact CG-CD1 4.15Å; P12-F92 HydrophobicContact CG-CG 4.09Å; A20-F92 HydrophobicContact CB-CE1 4.29Å; I23-F92 HydrophobicContact CD1-CB 3.98Å; I23-F92 HydrophobicContact CD1-CD1 3.84Å; I23-F92 HydrophobicContact CD1-CG 4.3Å; I23-F92 HydrophobicContact CG2-CD1 4.47Å; I23-F92 WeakPolarHBondContact CG2-O 3.31Å; F92-P94 HydrophobicContact CE1-CB 4.48Å; F92-P94 WeakPolarHBondContact O-CD 3.27Å; F92-Q97 HydrophobicContact CZ-CG 4.2Å
93T82.8Confident85.4Confident3 Ų350.4 Ų50.42%0.01827%0.272CS..  trans-95.1112.1179.229.60000111.3T95 T96 I164T93-T95 PolarHBondContact O-N 2.98Å; T93-T96 PolarHBondContact O-N 2.92Å; T93-T96 PolarHBondContact O-OG1 3.31Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.34Å; T93-I164 HydrophobicContact CG2-CG2 4.4Å
94P81.1Confident85.1Confident8 Ų851.4 Ų51.45%0.05228%0.277CS..G310 helixtrans-64-23.2176.226.3-33.5000112.5I24 T82 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.24Å; I24-P94 HydrophobicContact CG1-CB 3.7Å; I24-P94 HydrophobicContact CG1-CG 4.03Å; T82-P94 HydrophobicContact CG2-CG 4.48Å; F92-P94 HydrophobicContact CE1-CB 4.48Å; F92-P94 WeakPolarHBondContact O-CD 3.27Å; P94-T96 VanDerWaalsContact C-N 3.28Å; P94-T96 PolarHBondContact O-N 3.08Å; P94-Q97 PolarHBondContact O-N 3.26Å; P94-M100 WeakPolarHBondContact O-CB 3.48Å
95T84.7Confident85Confident1 Ų148.1 Ų48.11%0.00626%0.26CS..G310 helixtrans-76.7-7.3179.551.50000114.5T82 N83 T93 Q97 N101 I164T82-T95 WeakPolarHBondContact OG1-CG2 3.05Å; N83-T95 WeakPolarHBondContact OD1-CB 3.46Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.49Å; N83-T95 PolarHBondContact OD1-OG1 3.41Å; T93-T95 PolarHBondContact O-N 2.98Å; T95-Q97 VanDerWaalsContact C-N 3.34Å; T95-N101 PolarHBondContact O-ND2 3.14Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.32Å
96T84.7Confident84.9Confident10 Ų1050.1 Ų50.16%0.06127%0.27CS..G310 helixtrans-75.1-27.4169.556.40000112.3F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.87Å; F9-T96 HydrophobicContact CE1-CG2 3.72Å; T93-T96 PolarHBondContact O-N 2.92Å; T93-T96 PolarHBondContact O-OG1 3.31Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.34Å; P94-T96 VanDerWaalsContact C-N 3.28Å; P94-T96 PolarHBondContact O-N 3.08Å; T96-L98 PolarHBondContact O-N 2.9Å; T96-T161 WeakPolarHBondContact O-CG2 3.44Å; T96-I164 HydrophobicContact CG2-CB 4.35Å; T96-I164 HydrophobicContact CG2-CG2 3.63Å; T96-T165 HydrophobicContact CG2-CG2 3.76Å
97Q88.1Confident85.1Confident68 Ų6853.9 Ų53.932%0.31829%0.294SS..SBendtrans-77.4120178.2-65.6-63.5-29.500109.7F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 3.36Å; F92-Q97 HydrophobicContact CZ-CG 4.2Å; P94-Q97 PolarHBondContact O-N 3.26Å; T95-Q97 VanDerWaalsContact C-N 3.34Å; Q97-S99 PolarHBondContact O-N 3.48Å; Q97-M100 PolarHBondContact O-N 3.34Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; Q97-N101 PolarHBondContact O-N 3.49Å
98L85.4Confident85.1Confident66 Ų6652.7 Ų52.735%0.34629%0.288SS..Hα-helixtrans-56.9-33.7178.2-177.363.9000112T96 M100 N101 L102 M154 A157 V158 T161T96-L98 PolarHBondContact O-N 2.9Å; L98-M100 VanDerWaalsContact C-N 3.33Å; L98-M100 PolarHBondContact O-N 3.05Å; L98-N101 PolarHBondContact O-N 3.31Å; L98-L102 WeakPolarHBondContact O-CB 3.43Å; L98-L102 PolarHBondContact O-N 3.13Å; L98-M154 HydrophobicContact CD2-CE 4.13Å; L98-A157 HydrophobicContact CD1-CB 4.41Å; L98-V158 HydrophobicContact CD1-CG2 3.91Å; L98-T161 VanDerWaalsContact CA-CG2 3.47Å; L98-T161 HydrophobicContact CB-CG2 4.07Å; L98-T161 HydrophobicContact CD1-CG2 4.03Å
99S87.3Confident85.1Confident85 Ų8550 Ų5059%0.59427%0.271SS*.Hα-helixtrans-56.1-43.9176.756.50000112.7Q97 A103Q97-S99 PolarHBondContact O-N 3.48Å; S99-A103 WeakPolarHBondContact O-CB 3.16Å; S99-A103 PolarHBondContact O-N 2.88Å
100M86.6Confident85.2Confident41 Ų4146.1 Ų46.120%0.20225%0.249CC..Hα-helixtrans-68.3-46.9-178.7-175.759.8-17300111.3I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-SD 4.42Å; I24-M100 HydrophobicContact CG2-CE 4.35Å; F78-M100 HydrophobicContact CE1-CE 3.81Å; F78-M100 HydrophobicContact CZ-CE 3.83Å; P94-M100 WeakPolarHBondContact O-CB 3.48Å; Q97-M100 PolarHBondContact O-N 3.34Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; L98-M100 VanDerWaalsContact C-N 3.33Å; L98-M100 PolarHBondContact O-N 3.05Å; M100-L102 VanDerWaalsContact C-N 3.31Å; M100-L102 PolarHBondContact O-N 2.83Å; M100-A103 PolarHBondContact O-N 3.36Å; M100-M104 HydrophobicContact CE-CE 4.29Å; M100-M104 HydrophobicContact CE-CG 4.33Å; M100-M104 HydrophobicContact CE-SD 4.02Å; M100-M104 HydrophobicContact CG-CE 4.04Å; M100-M104 WeakPolarHBondContact O-CG 3.1Å; M100-M104 PolarHBondContact O-N 3.44Å
101N87.1Confident85.4Confident0 Ų035.5 Ų35.50%021%0.214CC..Hα-helixtrans-66.1-37.6-179.3-67.5-7000111.7T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.14Å; Q97-N101 PolarHBondContact O-N 3.49Å; L98-N101 PolarHBondContact O-N 3.31Å; N101-M104 PolarHBondContact O-N 3.11Å; N101-A105 WeakPolarHBondContact O-CB 3.42Å; N101-A105 PolarHBondContact O-N 3.32Å; N101-A157 HydrophobicContact CB-CB 3.96Å; N101-A157 PolarHBondContact ND2-O 3.32Å; N101-L160 HydrophobicContact CB-CD2 4.41Å; N101-L160 WeakPolarHBondContact ND2-CB 3.17Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.38Å; N101-L160 VanDerWaalsContact ND2-CG 3.34Å; N101-L160 WeakPolarHBondContact ND2-CG 3.11Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.42Å; N101-T161 HydrophobicContact CB-CG2 4.26Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.4Å; N101-T161 PolarHBondContact ND2-N 3.03Å
102L85.4Confident85.4Confident40 Ų4033.8 Ų33.821%0.20920%0.202CC..Hα-helixtrans-71.2-38.3177.8-155.970.1000111.9L98 M100 M104 A105 I106 M154 A157L98-L102 WeakPolarHBondContact O-CB 3.43Å; L98-L102 PolarHBondContact O-N 3.13Å; M100-L102 VanDerWaalsContact C-N 3.31Å; M100-L102 PolarHBondContact O-N 2.83Å; L102-M104 PolarHBondContact O-N 3.36Å; L102-A105 PolarHBondContact O-N 3.42Å; L102-I106 HydrophobicContact CD1-CD1 4.11Å; L102-I106 HydrophobicContact CD1-CG1 4.2Å; L102-I106 HydrophobicContact CD2-CD1 3.92Å; L102-I106 HydrophobicContact CG-CD1 3.55Å; L102-I106 HydrophobicContact CG-CG1 4.01Å; L102-I106 WeakPolarHBondContact O-CG1 3.5Å; L102-I106 PolarHBondContact O-N 3.25Å; L102-M154 HydrophobicContact CD1-CE 4.37Å; L102-M154 HydrophobicContact CD1-SD 3.31Å; L102-M154 WeakPolarHBondContact CD1-SD 3.44Å; L102-M154 HydrophobicContact CD2-SD 4.08Å; L102-M154 HydrophobicContact CG-SD 4.35Å; L102-A157 HydrophobicContact CB-CB 4.48Å; L102-A157 HydrophobicContact CD1-CB 3.81Å
103A88.3Confident85.4Confident64 Ų6433.2 Ų33.253%0.52920%0.201SC..Hα-helixtrans-62.7-28.9172.900000112.8S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.16Å; S99-A103 PolarHBondContact O-N 2.88Å; M100-A103 PolarHBondContact O-N 3.36Å; A103-P107 WeakPolarHBondContact O-CD 3.4Å; A103-P107 WeakPolarHBondContact O-CG 3.32Å
104M84.6Confident85.4Confident25 Ų2537.7 Ų37.712%0.12322%0.224CC..Hα-helixtrans-80.2-45.1171.5-68.7-175.7-7200112.3F78 I79 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.93Å; F78-M104 HydrophobicContact CE1-SD 3.62Å; I79-M104 HydrophobicContact CG1-SD 4.45Å; M100-M104 HydrophobicContact CE-CE 4.29Å; M100-M104 HydrophobicContact CE-CG 4.33Å; M100-M104 HydrophobicContact CE-SD 4.02Å; M100-M104 HydrophobicContact CG-CE 4.04Å; M100-M104 WeakPolarHBondContact O-CG 3.1Å; M100-M104 PolarHBondContact O-N 3.44Å; N101-M104 PolarHBondContact O-N 3.11Å; L102-M104 PolarHBondContact O-N 3.36Å; M104-L108 WeakPolarHBondContact O-CD1 3.5Å; M104-L108 VanDerWaalsContact O-CG 3.29Å; M104-L108 WeakPolarHBondContact O-CG 3.48Å
105A86.1Confident85.3Confident3 Ų339.6 Ų39.63%0.02523%0.232CC..Hα-helixtrans-70.7-44.8-172.100000113.5N101 L102 L108 W109 A157 F214N101-A105 WeakPolarHBondContact O-CB 3.42Å; N101-A105 PolarHBondContact O-N 3.32Å; L102-A105 PolarHBondContact O-N 3.42Å; A105-L108 PolarHBondContact O-N 3.48Å; A105-W109 WeakPolarHBondContact O-CB 3.39Å; A105-W109 PolarHBondContact O-N 3.22Å; A105-A157 HydrophobicContact CB-CB 4.25Å; A105-F214 HydrophobicContact CB-CE2 4.35Å; A105-F214 HydrophobicContact CB-CZ 4.18Å
106I87.1Confident84.9Confident80 Ų8039.6 Ų39.641%0.4123%0.232SC..Hα-helixtrans-62.3-49.8-175-66.4174.5000111.8L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 4.11Å; L102-I106 HydrophobicContact CD1-CG1 4.2Å; L102-I106 HydrophobicContact CD2-CD1 3.92Å; L102-I106 HydrophobicContact CG-CD1 3.55Å; L102-I106 HydrophobicContact CG-CG1 4.01Å; L102-I106 WeakPolarHBondContact O-CG1 3.5Å; L102-I106 PolarHBondContact O-N 3.25Å; I106-L108 PolarHBondContact O-N 2.95Å; I106-W109 PolarHBondContact O-N 3.49Å; I106-A110 WeakPolarHBondContact O-CB 3.48Å; I106-A110 PolarHBondContact O-N 3.24Å
107P88.5Confident84.5Confident80 Ų8043 Ų4352%0.51925%0.247SC..Hα-helixtrans-65-37.9-178.7-24.136.6000113.3A103 G111A103-P107 WeakPolarHBondContact O-CD 3.4Å; A103-P107 WeakPolarHBondContact O-CG 3.32Å; P107-G111 PolarHBondContact O-N 3.39Å
108L86.9Confident83.9Confident16 Ų1650 Ų508%0.08427%0.27CS..Hα-helixtrans-64.3-47.2177.8-72.4166.7000111.5M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.27Å; M71-L108 HydrophobicContact CG-CD2 4.22Å; M71-L108 HydrophobicContact SD-CD2 3.56Å; M71-L108 VanDerWaalsContact SD-CD2 3.56Å; L75-L108 HydrophobicContact CD1-CD1 3.43Å; L75-L108 VanDerWaalsContact CD1-CD1 3.43Å; L75-L108 HydrophobicContact CD2-CD1 3.87Å; L75-L108 HydrophobicContact CG-CD1 4.28Å; M104-L108 WeakPolarHBondContact O-CD1 3.5Å; M104-L108 VanDerWaalsContact O-CG 3.29Å; M104-L108 WeakPolarHBondContact O-CG 3.48Å; A105-L108 PolarHBondContact O-N 3.48Å; I106-L108 PolarHBondContact O-N 2.95Å; L108-G111 PolarHBondContact O-N 2.95Å; L108-A112 PolarHBondContact O-N 3.44Å; L108-A112 VanDerWaalsContact O-N 3.08Å; L108-F214 HydrophobicContact CD1-CE1 4.23Å; L108-V218 HydrophobicContact CB-CG1 4.4Å
109W85.3Confident83Confident41 Ų4149 Ų4916%0.15527%0.269CS..Hα-helixtrans-64.4-47.6176.8172.590.1000111.4A105 I106 G111 A112 V113 L149 L150 P153A105-W109 WeakPolarHBondContact O-CB 3.39Å; A105-W109 PolarHBondContact O-N 3.22Å; I106-W109 PolarHBondContact O-N 3.49Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.37Å; W109-A112 PolarHBondContact O-N 3.49Å; W109-A112 VanDerWaalsContact O-N 3.14Å; W109-V113 HydrophobicContact CD2-CG2 4.08Å; W109-V113 HydrophobicContact CH2-CG2 4.38Å; W109-V113 HydrophobicContact CZ2-CG2 3.91Å; W109-V113 WeakPolarHBondContact O-CG2 3.38Å; W109-V113 PolarHBondContact O-N 2.92Å; W109-L149 HydrophobicContact CH2-CD2 4.15Å; W109-L149 HydrophobicContact CZ2-CD2 3.44Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.44Å; W109-L149 HydrophobicContact CZ2-CG 3.95Å; W109-L149 VanDerWaalsContact CZ2-O 3.31Å; W109-L149 WeakPolarHBondContact CZ2-O 3.49Å; W109-L149 PolarHBondContact NE1-O 2.96Å; W109-L150 HydrophobicContact CH2-CD2 3.69Å; W109-L150 HydrophobicContact CZ2-CD2 4.2Å; W109-P153 HydrophobicContact CB-CB 3.92Å; W109-P153 HydrophobicContact CB-CG 4.37Å; W109-P153 HydrophobicContact CD2-CB 4.35Å; W109-P153 HydrophobicContact CD2-CG 3.83Å; W109-P153 HydrophobicContact CE3-CG 4.4Å; W109-P153 HydrophobicContact CG-CB 3.85Å; W109-P153 HydrophobicContact CG-CG 3.79Å
110A84.6Confident82Confident27 Ų2749.4 Ų49.422%0.22326%0.26CS..Hα-helixtrans-60.5-41179.100000110.9I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.48Å; I106-A110 PolarHBondContact O-N 3.24Å; A110-V113 PolarHBondContact O-N 3.43Å; A110-I114 VanDerWaalsContact O-CB 3.32Å; A110-I114 WeakPolarHBondContact O-CB 3.33Å; A110-I114 WeakPolarHBondContact O-CD1 3.47Å; A110-I114 WeakPolarHBondContact O-CG1 3.47Å; A110-I114 PolarHBondContact O-N 3.05Å
111G84.8Confident80.9Confident23 Ų2352.6 Ų52.624%0.23728%0.277CS..Hα-helixtrans-60-44.9174.600000113.1P107 L108 W109 M115P107-G111 PolarHBondContact O-N 3.39Å; L108-G111 PolarHBondContact O-N 2.95Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.37Å; G111-M115 WeakPolarHBondContact O-CB 3.46Å; G111-M115 PolarHBondContact O-N 3.13Å
112A82.4Confident79.7Confident1 Ų161.7 Ų61.71%0.00832%0.316CS..Hα-helixtrans-63.3-45.5177.100000111.9L108 W109 M115 G116 L222L108-A112 PolarHBondContact O-N 3.44Å; L108-A112 VanDerWaalsContact O-N 3.08Å; W109-A112 PolarHBondContact O-N 3.49Å; W109-A112 VanDerWaalsContact O-N 3.14Å; A112-M115 PolarHBondContact O-N 3.17Å; A112-G116 PolarHBondContact O-N 3.1Å; A112-L222 HydrophobicContact CB-CD1 4.35Å
113V81.8Confident78.7Confident16 Ų1664.6 Ų64.610%0.09733%0.332CS..Hα-helixtrans-64.8-46.5178.8172.60000111.4W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.08Å; W109-V113 HydrophobicContact CH2-CG2 4.38Å; W109-V113 HydrophobicContact CZ2-CG2 3.91Å; W109-V113 WeakPolarHBondContact O-CG2 3.38Å; W109-V113 PolarHBondContact O-N 2.92Å; A110-V113 PolarHBondContact O-N 3.43Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 2.97Å; V113-G116 PolarHBondContact O-N 2.95Å; V113-G116 VanDerWaalsContact O-N 3.13Å; V113-F117 HydrophobicContact CG1-CD2 3.64Å; V113-F117 HydrophobicContact CG1-CE2 3.38Å; V113-F117 VanDerWaalsContact O-CD2 3.22Å; V113-F117 WeakPolarHBondContact O-CD2 3.28Å; V113-F117 PolarHBondContact O-N 2.96Å
114I83.3Confident77.4Confident97 Ų9762.4 Ų62.450%0.49731%0.313SS..Hα-helixtrans-61-39.3176.9-68.5163.7000110.6A110 F117 R118A110-I114 VanDerWaalsContact O-CB 3.32Å; A110-I114 WeakPolarHBondContact O-CB 3.33Å; A110-I114 WeakPolarHBondContact O-CD1 3.47Å; A110-I114 WeakPolarHBondContact O-CG1 3.47Å; A110-I114 PolarHBondContact O-N 3.05Å; I114-F117 PolarHBondContact O-N 3.17Å; I114-R118 HydrophobicContact CG2-CG 4.43Å; I114-R118 WeakPolarHBondContact O-CB 3.28Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.27Å; I114-R118 PolarHBondContact O-N 3.3Å
115M79.5Confident76.3Confident47 Ų4765.7 Ų65.723%0.23233%0.331CS..Hα-helixtrans-65.9-37.6176.2-172.3166-179.400112.2W68 G111 A112 V113 R118 S119W68-M115 HydrophobicContact CZ2-SD 3.86Å; W68-M115 PolarHBondContact NE1-SD 2.7Å; G111-M115 WeakPolarHBondContact O-CB 3.46Å; G111-M115 PolarHBondContact O-N 3.13Å; A112-M115 PolarHBondContact O-N 3.17Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 2.97Å; M115-R118 PolarHBondContact O-N 3.29Å; M115-S119 WeakPolarHBondContact O-CB 3.38Å; M115-S119 PolarHBondContact O-N 3.43Å; M115-S119 PolarHBondContact O-OG 2.84Å
116G74.4Confident75.1Confident1 Ų168.1 Ų68.11%0.0135%0.351CS..Hα-helixtrans-61.4-50.5172.900000112.8A112 V113 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 3.1Å; V113-G116 PolarHBondContact O-N 2.95Å; V113-G116 VanDerWaalsContact O-N 3.13Å; G116-R118 VanDerWaalsContact C-N 3.32Å; G116-R118 PolarHBondContact O-N 3.18Å; G116-S119 PolarHBondContact O-N 3.3Å; G116-S119 PolarHBondContact O-OG 3.13Å; G116-K120 PolarHBondContact O-N 2.77Å; G116-N225 VanDerWaalsContact CA-O 3.22Å; G116-N225 WeakPolarHBondContact CA-O 3.47Å
117F76.6Confident73.9Confident82 Ų8269.6 Ų69.636%0.3636%0.356SS..Hα-helixtrans-59.7-41.7175.2-77.7-64.8000112.1V113 I114 I121 A124 L125V113-F117 HydrophobicContact CG1-CD2 3.64Å; V113-F117 HydrophobicContact CG1-CE2 3.38Å; V113-F117 VanDerWaalsContact O-CD2 3.22Å; V113-F117 WeakPolarHBondContact O-CD2 3.28Å; V113-F117 PolarHBondContact O-N 2.96Å; I114-F117 PolarHBondContact O-N 3.17Å; F117-I121 WeakPolarHBondContact O-CG1 3.42Å; F117-A124 HydrophobicContact CD1-CB 4.33Å; F117-A124 HydrophobicContact CE1-CB 4.42Å; F117-L125 HydrophobicContact CD1-CD1 4.21Å; F117-L125 HydrophobicContact CE1-CD1 3.81Å
118R75.1Confident72.5Confident215 Ų21567.6 Ų67.681%0.81134%0.339SS*.Hα-helixtrans-69.5-34.3179.4-74.1-179.769.4-168.82.1113.6I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.43Å; I114-R118 WeakPolarHBondContact O-CB 3.28Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.27Å; I114-R118 PolarHBondContact O-N 3.3Å; M115-R118 PolarHBondContact O-N 3.29Å; G116-R118 VanDerWaalsContact C-N 3.32Å; G116-R118 PolarHBondContact O-N 3.18Å
119S66.8Low71.2Confident45 Ų4569.8 Ų69.832%0.31535%0.351SS..Hα-helixtrans-87.6-39.4-17376.10000113.3M115 G116 N225M115-S119 WeakPolarHBondContact O-CB 3.38Å; M115-S119 PolarHBondContact O-N 3.43Å; M115-S119 PolarHBondContact O-OG 2.84Å; G116-S119 PolarHBondContact O-N 3.3Å; G116-S119 PolarHBondContact O-OG 3.13Å; S119-N225 PolarHBondContact OG-O 3.39Å
120K67.4Low70Confident93 Ų9371.1 Ų71.140%0.40437%0.365SS..  trans-148.373-177.1-66.8176.4-177.1155.90111.4G116 K122 N123 A124 T226G116-K120 PolarHBondContact O-N 2.77Å; K120-K122 VanDerWaalsContact C-N 3.25Å; K120-K122 PolarHBondContact O-N 2.94Å; K120-K122 VanDerWaalsContact O-N 3.17Å; K120-N123 HydrophobicContact CB-CB 3.89Å; K120-N123 HydrophobicContact CD-CB 4.2Å; K120-N123 PolarHBondContact O-N 2.92Å; K120-N123 VanDerWaalsContact O-N 3.1Å; K120-A124 WeakPolarHBondContact O-CB 3.31Å; K120-A124 PolarHBondContact O-N 2.71Å; K120-T226 WeakPolarHBondContact CE-O 3.17Å; K120-T226 VanDerWaalsContact NZ-C 3.34Å; K120-T226 PolarHBondContact NZ-O 3.17Å; K120-T226 PolarHBondContact NZ-OXT 3.2Å
121I62.6Low68.8Low109 Ų10979.5 Ų79.556%0.55940%0.399SS*.Hα-helixtrans-47.3-48.3176.6-59.8171.4000111.6F117 N123 L125F117-I121 WeakPolarHBondContact O-CG1 3.42Å; I121-N123 PolarHBondContact O-N 3.17Å; I121-L125 HydrophobicContact CG2-CD1 3.82Å; I121-L125 WeakPolarHBondContact O-CD1 2.97Å; I121-L125 PolarHBondContact O-N 3.12Å
122K61.5Low67.7Low190 Ų19082.3 Ų82.383%0.82643%0.428SS*.Hα-helixtrans-66.7-36.9-176.2-65.2-176.1179.5-177.60113.5K120 A126K120-K122 VanDerWaalsContact C-N 3.25Å; K120-K122 PolarHBondContact O-N 2.94Å; K120-K122 VanDerWaalsContact O-N 3.17Å; K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.2Å; K122-A126 PolarHBondContact O-N 2.97Å
123N64.8Low67.1Low102 Ų10283.9 Ų83.955%0.54544%0.438SS..Hα-helixtrans-80.3-35.8-177.7-145.461.3000111.2K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.89Å; K120-N123 HydrophobicContact CD-CB 4.2Å; K120-N123 PolarHBondContact O-N 2.92Å; K120-N123 VanDerWaalsContact O-N 3.1Å; I121-N123 PolarHBondContact O-N 3.17Å; N123-A126 PolarHBondContact O-N 2.95Å; N123-H127 PolarHBondContact O-N 3.4Å; N123-H127 VanDerWaalsContact O-N 3.09Å
124A61.3Low66.6Low17 Ų1786.7 Ų86.714%0.1446%0.457CS..Hα-helixtrans-63-42.6172.600000111.5F117 K120 H127F117-A124 HydrophobicContact CD1-CB 4.33Å; F117-A124 HydrophobicContact CE1-CB 4.42Å; K120-A124 WeakPolarHBondContact O-CB 3.31Å; K120-A124 PolarHBondContact O-N 2.71Å; A124-H127 PolarHBondContact O-N 3.42Å
125L61.3Low66.3Low94 Ų9487.8 Ų87.849%0.49247%0.468SS..Hα-helixtrans-70.3-32174.3-87.884.1000112.9F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.21Å; F117-L125 HydrophobicContact CE1-CD1 3.81Å; I121-L125 HydrophobicContact CG2-CD1 3.82Å; I121-L125 WeakPolarHBondContact O-CD1 2.97Å; I121-L125 PolarHBondContact O-N 3.12Å; L125-H127 VanDerWaalsContact C-N 3.31Å; L125-H127 PolarHBondContact O-N 2.92Å; L125-F128 PolarHBondContact O-N 3.27Å
126A60.7Low66.3Low54 Ų5490.5 Ų90.545%0.44649%0.489SS..Hα-helixtrans-68.7-27.8176.900000112.8K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.2Å; K122-A126 PolarHBondContact O-N 2.97Å; N123-A126 PolarHBondContact O-N 2.95Å; A126-F128 PolarHBondContact O-N 3.47Å; A126-L129 CarbonylContact O-C 3.55Å; A126-L129 PolarHBondContact O-N 2.99Å
127H61.9Low66.5Low111 Ų11195.5 Ų95.551%0.51452%0.515SS..THydrogen-bonded Turntrans-64.8-23.1175.4-163.6-62.5000112.7N123 A124 L125 L129N123-H127 PolarHBondContact O-N 3.4Å; N123-H127 VanDerWaalsContact O-N 3.09Å; A124-H127 PolarHBondContact O-N 3.42Å; L125-H127 VanDerWaalsContact C-N 3.31Å; L125-H127 PolarHBondContact O-N 2.92Å; H127-L129 PolarHBondContact O-N 3.48Å
128F60.4Low66.6Low39 Ų3993.9 Ų93.917%0.17151%0.51CS..THydrogen-bonded Turntrans-67.3-14.7173.6-68-59.6000113.2L125 A126 L141 E145 T146L125-F128 PolarHBondContact O-N 3.27Å; A126-F128 PolarHBondContact O-N 3.47Å; F128-L141 WeakPolarHBondContact O-CD2 3.36Å; F128-E145 HydrophobicContact CD1-CB 4.22Å; F128-E145 HydrophobicContact CD1-CG 3.83Å; F128-T146 HydrophobicContact CD1-CG2 4.13Å; F128-T146 HydrophobicContact CE1-CG2 3.88Å; F128-T146 HydrophobicContact CZ-CG2 4.41Å
129L59.5Low66.8Low61 Ų6187.7 Ų87.732%0.31950%0.497SS..SBendtrans-125.1108.8179.5-121.678.9000111.6A126 H127 Q131 I138 V142A126-L129 CarbonylContact O-C 3.55Å; A126-L129 PolarHBondContact O-N 2.99Å; H127-L129 PolarHBondContact O-N 3.48Å; L129-Q131 PolarHBondContact O-N 3.28Å; L129-I138 HydrophobicContact CD1-CG2 3.8Å; L129-I138 HydrophobicContact CD2-CD1 4.15Å; L129-I138 HydrophobicContact CD2-CG1 4.22Å; L129-I138 HydrophobicContact CD2-CG2 3.96Å; L129-I138 HydrophobicContact CG-CG2 4.4Å; L129-V142 HydrophobicContact CD1-CG2 3.3Å
130P59.5Low67.5Low69 Ų6991 Ų9145%0.44851%0.509SS..  trans-62.5135.316719.6-20.9000109.4G132 T133 L141P130-G132 PolarHBondContact O-N 3.36Å; P130-T133 HydrophobicContact CB-CG2 4.49Å; P130-T133 HydrophobicContact CG-CG2 3.78Å; P130-T133 WeakPolarHBondContact O-CG2 3.14Å; P130-T133 PolarHBondContact O-OG1 3.39Å; P130-L141 HydrophobicContact CG-CD1 3.9Å; P130-L141 HydrophobicContact CG-CD2 4.02Å
131Q59.4Low68.3Low203 Ų20388.8 Ų88.895%0.94950%0.501SS*.THydrogen-bonded Turntrans-64.5132.8-178.4-62.2-156.4-000110.4L129L129-Q131 PolarHBondContact O-N 3.28Å
132G61.2Low69.2Low82 Ų8285.9 Ų85.985%0.84549%0.488SS*.THydrogen-bonded Turntrans94.913.8178.700000115.6P130P130-G132 PolarHBondContact O-N 3.36Å
133T69.8Low70.2Confident35 Ų3581.1 Ų81.122%0.21547%0.471CS..  trans-74.1133.7174.844.30000112P130 L141P130-T133 HydrophobicContact CB-CG2 4.49Å; P130-T133 HydrophobicContact CG-CG2 3.78Å; P130-T133 WeakPolarHBondContact O-CG2 3.14Å; P130-T133 PolarHBondContact O-OG1 3.39Å; T133-L141 HydrophobicContact CG2-CD1 3.93Å
134P72.6Confident71.2Confident75 Ų7580.8 Ų80.849%0.48747%0.468SS..  trans-66.8139.1177.828.6-35.6000110.7P136 L137P134-P136 VanDerWaalsContact C-N 3.35Å; P134-P136 WeakPolarHBondContact O-CD 3.35Å; P134-P136 VanDerWaalsContact O-N 3.1Å; P134-L137 HydrophobicContact CG-CB 4.38Å; P134-L137 HydrophobicContact CG-CD1 3.8Å; P134-L137 HydrophobicContact CG-CG 4.39Å; P134-L137 PolarHBondContact O-N 3.18Å
135T75.5Confident72.2Confident119 Ų11982.8 Ų82.873%0.7348%0.475SS*.THydrogen-bonded Turntrans-49.3-34.7-17151.50000117.1I138T135-I138 HydrophobicContact CG2-CD1 4.48Å
136P81.1Confident73.1Confident104 Ų10480.8 Ų80.868%0.67547%0.466SS*.THydrogen-bonded Turntrans-76.3-21.7178.927.8-34.6000114.6P134P134-P136 VanDerWaalsContact C-N 3.35Å; P134-P136 WeakPolarHBondContact O-CD 3.35Å; P134-P136 VanDerWaalsContact O-N 3.1Å
137L78.8Confident74.3Confident106 Ų10682.1 Ų82.156%0.55547%0.465SS*.THydrogen-bonded Turntrans-88.8-10.8-177.6-72.7172.3000113.4P134 M140 L141P134-L137 HydrophobicContact CG-CB 4.38Å; P134-L137 HydrophobicContact CG-CD1 3.8Å; P134-L137 HydrophobicContact CG-CG 4.39Å; P134-L137 PolarHBondContact O-N 3.18Å; L137-M140 PolarHBondContact O-N 3.48Å; L137-L141 PolarHBondContact O-N 3.4Å; L137-L141 VanDerWaalsContact O-N 3.14Å
138I78.2Confident75.3Confident49 Ų4979.3 Ų79.325%0.25146%0.458SS..Hα-helixtrans-54.8-49.5-177.4-66.7177.8000112.6L129 T135 M140 L141 V142L129-I138 HydrophobicContact CD1-CG2 3.8Å; L129-I138 HydrophobicContact CD2-CD1 4.15Å; L129-I138 HydrophobicContact CD2-CG1 4.22Å; L129-I138 HydrophobicContact CD2-CG2 3.96Å; L129-I138 HydrophobicContact CG-CG2 4.4Å; T135-I138 HydrophobicContact CG2-CD1 4.48Å; I138-M140 VanDerWaalsContact C-N 3.34Å; I138-M140 PolarHBondContact O-N 2.98Å; I138-L141 PolarHBondContact O-N 3.4Å; I138-V142 WeakPolarHBondContact O-CG2 3.42Å; I138-V142 PolarHBondContact O-N 2.98Å
139P78.4Confident76.3Confident84 Ų8479.7 Ų79.755%0.54546%0.462SS..Hα-helixtrans-65.4-36.8-175.2-20.333.4000112.9I143P139-I143 WeakPolarHBondContact O-CG1 3.36Å; P139-I143 PolarHBondContact O-N 2.93Å
140M82.2Confident77.3Confident114 Ų11482 Ų8256%0.56247%0.474SS*.Hα-helixtrans-69.5-40.7179.2-173.563.9-172.700111.5L137 I138 I143 I144L137-M140 PolarHBondContact O-N 3.48Å; I138-M140 VanDerWaalsContact C-N 3.34Å; I138-M140 PolarHBondContact O-N 2.98Å; M140-I143 PolarHBondContact O-N 3.39Å; M140-I144 HydrophobicContact CE-CD1 3.98Å; M140-I144 HydrophobicContact CE-CG1 4.2Å; M140-I144 HydrophobicContact CG-CD1 4.12Å; M140-I144 WeakPolarHBondContact O-CG1 3.48Å; M140-I144 PolarHBondContact O-N 2.97Å; M140-I144 VanDerWaalsContact O-N 3.12Å
141L83.9Confident78.5Confident48 Ų4883.4 Ų83.425%0.25148%0.476SS..Hα-helixtrans-66.5-40.4-178.6-169.5148.5000112F128 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 3.36Å; P130-L141 HydrophobicContact CG-CD1 3.9Å; P130-L141 HydrophobicContact CG-CD2 4.02Å; T133-L141 HydrophobicContact CG2-CD1 3.93Å; L137-L141 PolarHBondContact O-N 3.4Å; L137-L141 VanDerWaalsContact O-N 3.14Å; I138-L141 PolarHBondContact O-N 3.4Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 2.96Å; L141-I144 PolarHBondContact O-N 2.91Å; L141-E145 WeakPolarHBondContact O-CB 3.34Å; L141-E145 PolarHBondContact O-N 2.99Å
142V80.4Confident79.6Confident47 Ų4777.2 Ų77.229%0.28545%0.447SS..Hα-helixtrans-60-41.8175.8175.50000111.2L129 I138 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.3Å; I138-V142 WeakPolarHBondContact O-CG2 3.42Å; I138-V142 PolarHBondContact O-N 2.98Å; V142-E145 PolarHBondContact O-N 3.46Å; V142-T146 HydrophobicContact CG1-CG2 4.34Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.37Å; V142-T146 PolarHBondContact O-N 2.68Å; V142-T146 PolarHBondContact O-OG1 2.89Å; V142-T146 VanDerWaalsContact O-OG1 3.04Å
143I83.9Confident80.4Confident91 Ų9173.8 Ų73.847%0.46741%0.411SS..Hα-helixtrans-62.7-45177.3-66167.1000110.5P139 M140 L141 E145 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.36Å; P139-I143 PolarHBondContact O-N 2.93Å; M140-I143 PolarHBondContact O-N 3.39Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 2.96Å; I143-E145 PolarHBondContact O-N 3.05Å; I143-T146 WeakPolarHBondContact CA-OG1 3.09Å; I143-T146 PolarHBondContact O-N 3.15Å; I143-T146 PolarHBondContact O-OG1 3.08Å; I143-I147 HydrophobicContact CG2-CD1 3.77Å; I143-I147 WeakPolarHBondContact O-CD1 3.23Å; I143-I147 VanDerWaalsContact O-CG1 3.25Å; I143-I147 WeakPolarHBondContact O-CG1 3.39Å; I143-I147 PolarHBondContact O-N 3.45Å
144I84.8Confident81Confident94 Ų9475.9 Ų75.948%0.48242%0.419SS..Hα-helixtrans-64.1-43.6179.2-64.5166.3000111.1M140 L141 I147 S148M140-I144 HydrophobicContact CE-CD1 3.98Å; M140-I144 HydrophobicContact CE-CG1 4.2Å; M140-I144 HydrophobicContact CG-CD1 4.12Å; M140-I144 WeakPolarHBondContact O-CG1 3.48Å; M140-I144 PolarHBondContact O-N 2.97Å; M140-I144 VanDerWaalsContact O-N 3.12Å; L141-I144 PolarHBondContact O-N 2.91Å; I144-I147 PolarHBondContact O-N 3.42Å; I144-S148 WeakPolarHBondContact O-CB 3.38Å; I144-S148 PolarHBondContact O-N 3.24Å
145E82.9Confident81.5Confident59 Ų5974.2 Ų74.228%0.27641%0.412SS..Hα-helixtrans-66.9-40.2-178.6-167.562.8-163.900111.7F128 L141 V142 I143 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.22Å; F128-E145 HydrophobicContact CD1-CG 3.83Å; L141-E145 WeakPolarHBondContact O-CB 3.34Å; L141-E145 PolarHBondContact O-N 2.99Å; V142-E145 PolarHBondContact O-N 3.46Å; I143-E145 PolarHBondContact O-N 3.05Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 2.9Å; E145-S148 WeakPolarHBondContact O-CB 3.47Å; E145-S148 PolarHBondContact O-N 3.35Å; E145-L149 WeakPolarHBondContact O-CB 3.3Å; E145-L149 PolarHBondContact O-N 3.4Å
146T80.2Confident81.7Confident52 Ų5268.9 Ų68.932%0.31938%0.379SS..Hα-helixtrans-63.1-38.8174.155.40000112.3F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.13Å; F128-T146 HydrophobicContact CE1-CG2 3.88Å; F128-T146 HydrophobicContact CZ-CG2 4.41Å; V142-T146 HydrophobicContact CG1-CG2 4.34Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.37Å; V142-T146 PolarHBondContact O-N 2.68Å; V142-T146 PolarHBondContact O-OG1 2.89Å; V142-T146 VanDerWaalsContact O-OG1 3.04Å; I143-T146 WeakPolarHBondContact CA-OG1 3.09Å; I143-T146 PolarHBondContact O-N 3.15Å; I143-T146 PolarHBondContact O-OG1 3.08Å; T146-L150 WeakPolarHBondContact O-CG 3.22Å; T146-L150 PolarHBondContact O-N 2.99Å
147I84.7Confident81.7Confident83 Ų8364 Ų6443%0.42635%0.346SS..Hα-helixtrans-67.3-43.9174.4-68.1167.1000110.9I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.77Å; I143-I147 WeakPolarHBondContact O-CD1 3.23Å; I143-I147 VanDerWaalsContact O-CG1 3.25Å; I143-I147 WeakPolarHBondContact O-CG1 3.39Å; I143-I147 PolarHBondContact O-N 3.45Å; I144-I147 PolarHBondContact O-N 3.42Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 2.9Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 3.46Å; I147-L150 PolarHBondContact O-N 2.83Å; I147-L150 VanDerWaalsContact O-N 3.15Å; I147-I151 HydrophobicContact CG2-CD1 3.47Å; I147-I151 VanDerWaalsContact CG2-CD1 3.47Å; I147-I151 HydrophobicContact CG2-CG1 4.13Å; I147-I151 WeakPolarHBondContact O-CG1 3.37Å; I147-I151 PolarHBondContact O-N 3.17Å
148S83.3Confident82Confident52 Ų5261.8 Ų61.836%0.36434%0.338SS..Hα-helixtrans-57.3-46.4178.1-176.30000111.6I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.38Å; I144-S148 PolarHBondContact O-N 3.24Å; E145-S148 WeakPolarHBondContact O-CB 3.47Å; E145-S148 PolarHBondContact O-N 3.35Å; S148-L150 VanDerWaalsContact C-N 3.28Å; S148-L150 PolarHBondContact O-N 3.34Å; S148-I151 PolarHBondContact O-N 3.39Å; S148-Q152 PolarHBondContact O-N 2.86Å; S148-Q152 VanDerWaalsContact O-N 3.12Å
149L81.6Confident82.4Confident46 Ų4664.3 Ų64.324%0.24134%0.344CS..Hα-helixtrans-60.9-35.1177.8-175.1124.8000112.4W109 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.15Å; W109-L149 HydrophobicContact CZ2-CD2 3.44Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.44Å; W109-L149 HydrophobicContact CZ2-CG 3.95Å; W109-L149 VanDerWaalsContact CZ2-O 3.31Å; W109-L149 WeakPolarHBondContact CZ2-O 3.49Å; W109-L149 PolarHBondContact NE1-O 2.96Å; E145-L149 WeakPolarHBondContact O-CB 3.3Å; E145-L149 PolarHBondContact O-N 3.4Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 3.46Å; L149-P153 WeakPolarHBondContact O-CD 3.17Å
150L81.3Confident82.5Confident110 Ų11060.3 Ų60.358%0.57632%0.318SS*.Hα-helixtrans-78.4-35.8176.6-71.8173.7000113.7W109 T146 I147 S148 Q152 P153W109-L150 HydrophobicContact CH2-CD2 3.69Å; W109-L150 HydrophobicContact CZ2-CD2 4.2Å; T146-L150 WeakPolarHBondContact O-CG 3.22Å; T146-L150 PolarHBondContact O-N 2.99Å; I147-L150 PolarHBondContact O-N 2.83Å; I147-L150 VanDerWaalsContact O-N 3.15Å; S148-L150 VanDerWaalsContact C-N 3.28Å; S148-L150 PolarHBondContact O-N 3.34Å; L150-Q152 VanDerWaalsContact C-N 3.35Å; L150-P153 WeakPolarHBondContact O-CD 3.42Å; L150-P153 WeakPolarHBondContact O-CG 3.16Å
151I84.6Confident82.6Confident98 Ų9855.5 Ų55.550%0.50330%0.295SS..Hα-helixtrans-72.4-31.6-178.8-69.7173.5000111.3I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.47Å; I147-I151 VanDerWaalsContact CG2-CD1 3.47Å; I147-I151 HydrophobicContact CG2-CG1 4.13Å; I147-I151 WeakPolarHBondContact O-CG1 3.37Å; I147-I151 PolarHBondContact O-N 3.17Å; S148-I151 PolarHBondContact O-N 3.39Å; I151-M154 WeakPolarHBondContact O-CB 3.24Å; I151-M154 PolarHBondContact O-N 3.2Å; I151-M154 VanDerWaalsContact O-N 3.13Å; I151-A155 HydrophobicContact CG2-CB 4.43Å; I151-A155 WeakPolarHBondContact O-CB 3.17Å; I151-A155 PolarHBondContact O-N 2.97Å
152Q82.2Confident82.6Confident73 Ų7355.1 Ų55.134%0.34130%0.299SS..Hα-helixtrans-51.9-52.8-176.7-114.8171.5-10.400115.9S148 L150 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 2.86Å; S148-Q152 VanDerWaalsContact O-N 3.12Å; L150-Q152 VanDerWaalsContact C-N 3.35Å; Q152-M154 VanDerWaalsContact C-N 3.28Å; Q152-M154 PolarHBondContact O-N 3.03Å; Q152-A155 PolarHBondContact O-N 3.33Å; Q152-L156 WeakPolarHBondContact O-CB 3.31Å; Q152-L156 PolarHBondContact O-N 3.31Å; Q152-Y221 HydrophobicContact CG-CE1 4.42Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.4Å; Q152-Y221 PolarHBondContact NE2-OH 3.29Å; Q152-Y221 PolarHBondContact OE1-OH 3.2Å
153P77.6Confident82.9Confident11 Ų1155.6 Ų55.67%0.07130%0.3CS..Hα-helixtrans-64.6-33.9177.924.7-35000112.3W109 L149 L150 A157W109-P153 HydrophobicContact CB-CB 3.92Å; W109-P153 HydrophobicContact CB-CG 4.37Å; W109-P153 HydrophobicContact CD2-CB 4.35Å; W109-P153 HydrophobicContact CD2-CG 3.83Å; W109-P153 HydrophobicContact CE3-CG 4.4Å; W109-P153 HydrophobicContact CG-CB 3.85Å; W109-P153 HydrophobicContact CG-CG 3.79Å; L149-P153 WeakPolarHBondContact O-CD 3.17Å; L150-P153 WeakPolarHBondContact O-CD 3.42Å; L150-P153 WeakPolarHBondContact O-CG 3.16Å; P153-A157 PolarHBondContact O-N 3.2Å; P153-A157 VanDerWaalsContact O-N 3.17Å
154M82.6Confident82.9Confident78 Ų7851.7 Ų51.738%0.38428%0.28SS..Hα-helixtrans-66-47174.9-170.170.3-169.100110.9L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD2-CE 4.13Å; L102-M154 HydrophobicContact CD1-CE 4.37Å; L102-M154 HydrophobicContact CD1-SD 3.31Å; L102-M154 WeakPolarHBondContact CD1-SD 3.44Å; L102-M154 HydrophobicContact CD2-SD 4.08Å; L102-M154 HydrophobicContact CG-SD 4.35Å; I151-M154 WeakPolarHBondContact O-CB 3.24Å; I151-M154 PolarHBondContact O-N 3.2Å; I151-M154 VanDerWaalsContact O-N 3.13Å; Q152-M154 VanDerWaalsContact C-N 3.28Å; Q152-M154 PolarHBondContact O-N 3.03Å; M154-L156 VanDerWaalsContact C-N 3.27Å; M154-L156 PolarHBondContact O-N 3.5Å; M154-A157 PolarHBondContact O-N 3.23Å; M154-V158 HydrophobicContact CE-CG2 4.09Å; M154-V158 HydrophobicContact CG-CG2 4.49Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.24Å; M154-V158 PolarHBondContact O-N 2.92Å
155A84.4Confident83Confident41 Ų4148.9 Ų48.934%0.33927%0.267SS..Hα-helixtrans-61.5-36.8178.900000112I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.43Å; I151-A155 WeakPolarHBondContact O-CB 3.17Å; I151-A155 PolarHBondContact O-N 2.97Å; Q152-A155 PolarHBondContact O-N 3.33Å; A155-R159 WeakPolarHBondContact O-CB 3.08Å; A155-R159 PolarHBondContact O-N 3.21Å
156L78.3Confident83.2Confident7 Ų748.7 Ų48.74%0.03728%0.276CS..Hα-helixtrans-63.1-47.9175.7-162.581.9000111.9Q152 M154 R159 L160 F214 L217 V218Q152-L156 WeakPolarHBondContact O-CB 3.31Å; Q152-L156 PolarHBondContact O-N 3.31Å; M154-L156 VanDerWaalsContact C-N 3.27Å; M154-L156 PolarHBondContact O-N 3.5Å; L156-R159 PolarHBondContact O-N 3.23Å; L156-L160 PolarHBondContact O-N 3.06Å; L156-F214 HydrophobicContact CD1-CD2 4.26Å; L156-F214 HydrophobicContact CD2-CD1 4.22Å; L156-F214 HydrophobicContact CD2-CD2 3.25Å; L156-F214 HydrophobicContact CD2-CE1 4.16Å; L156-F214 HydrophobicContact CD2-CE2 3.17Å; L156-F214 HydrophobicContact CD2-CG 3.78Å; L156-F214 HydrophobicContact CD2-CZ 3.66Å; L156-F214 HydrophobicContact CG-CD2 3.41Å; L156-F214 VanDerWaalsContact CG-CD2 3.41Å; L156-F214 HydrophobicContact CG-CE2 3.65Å; L156-F214 HydrophobicContact CG-CG 4.17Å; L156-L217 HydrophobicContact CD1-CB 4.09Å; L156-L217 HydrophobicContact CD1-CD1 3.35Å; L156-L217 HydrophobicContact CD1-CG 4.34Å; L156-V218 HydrophobicContact CD2-CG2 4.34Å
157A81.7Confident83.5Confident0 Ų046.5 Ų46.50%026%0.263CS..Hα-helixtrans-64-44.5179.100000111.7L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.41Å; N101-A157 HydrophobicContact CB-CB 3.96Å; N101-A157 PolarHBondContact ND2-O 3.32Å; L102-A157 HydrophobicContact CB-CB 4.48Å; L102-A157 HydrophobicContact CD1-CB 3.81Å; A105-A157 HydrophobicContact CB-CB 4.25Å; P153-A157 PolarHBondContact O-N 3.2Å; P153-A157 VanDerWaalsContact O-N 3.17Å; M154-A157 PolarHBondContact O-N 3.23Å; A157-R159 VanDerWaalsContact C-N 3.35Å; A157-R159 PolarHBondContact O-N 2.88Å; A157-L160 PolarHBondContact O-N 3.31Å; A157-T161 PolarHBondContact O-N 3.09Å; A157-T161 VanDerWaalsContact O-N 3.11Å; A157-T161 PolarHBondContact O-OG1 3.15Å
158V85.7Confident83.7Confident61 Ų6144.1 Ų44.137%0.3725%0.25SS..Hα-helixtrans-63.7-39.3177.31730000111.4L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.91Å; M154-V158 HydrophobicContact CE-CG2 4.09Å; M154-V158 HydrophobicContact CG-CG2 4.49Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.24Å; M154-V158 PolarHBondContact O-N 2.92Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 3.47Å; V158-T161 WeakPolarHBondContact CA-OG1 3.38Å; V158-T161 PolarHBondContact O-N 3.36Å; V158-T161 PolarHBondContact O-OG1 3.17Å; V158-A162 WeakPolarHBondContact O-CB 3.46Å; V158-A162 PolarHBondContact O-N 2.88Å
159R86.1Confident83.9Confident101 Ų10143.8 Ų43.838%0.38124%0.244SC..Hα-helixtrans-61.2-42.4177.7-169.9-173.9-60.3152.32.2111.7A155 L156 A157 N163 Q210A155-R159 WeakPolarHBondContact O-CB 3.08Å; A155-R159 PolarHBondContact O-N 3.21Å; L156-R159 PolarHBondContact O-N 3.23Å; A157-R159 VanDerWaalsContact C-N 3.35Å; A157-R159 PolarHBondContact O-N 2.88Å; R159-N163 VanDerWaalsContact O-CG 3.28Å; R159-N163 PolarHBondContact O-N 2.85Å; R159-Q210 VanDerWaalsContact CD-OE1 3.31Å; R159-Q210 VanDerWaalsContact CG-NE2 3.31Å
160L79.7Confident84.3Confident0 Ų045.3 Ų45.30%025%0.252CS..Hα-helixtrans-66.9-44.7178.9-179.366.6000111.1I79 N83 N101 L156 A157 V158 I164 Q210I79-L160 HydrophobicContact CG2-CD1 4.26Å; I79-L160 HydrophobicContact CG2-CD2 3.98Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.31Å; N101-L160 HydrophobicContact CB-CD2 4.41Å; N101-L160 WeakPolarHBondContact ND2-CB 3.17Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.38Å; N101-L160 VanDerWaalsContact ND2-CG 3.34Å; N101-L160 WeakPolarHBondContact ND2-CG 3.11Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.42Å; L156-L160 PolarHBondContact O-N 3.06Å; A157-L160 PolarHBondContact O-N 3.31Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 3.47Å; L160-I164 HydrophobicContact CD1-CD1 3.75Å; L160-I164 HydrophobicContact CG-CD1 4.2Å; L160-I164 WeakPolarHBondContact O-CG1 3.31Å; L160-I164 PolarHBondContact O-N 3.11Å; L160-Q210 HydrophobicContact CB-CG 4.26Å; L160-Q210 HydrophobicContact CD1-CB 4.39Å; L160-Q210 HydrophobicContact CD1-CG 3.45Å; L160-Q210 VanDerWaalsContact CD1-CG 3.45Å; L160-Q210 HydrophobicContact CG-CG 4.46Å; L160-Q210 VanDerWaalsContact N-NE2 3.18Å
161T84.3Confident84.7Confident13 Ų1341.5 Ų41.58%0.0823%0.231CC..Hα-helixtrans-65.9-45.6177.648.50000112.4T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.44Å; L98-T161 VanDerWaalsContact CA-CG2 3.47Å; L98-T161 HydrophobicContact CB-CG2 4.07Å; L98-T161 HydrophobicContact CD1-CG2 4.03Å; N101-T161 HydrophobicContact CB-CG2 4.26Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.4Å; N101-T161 PolarHBondContact ND2-N 3.03Å; A157-T161 PolarHBondContact O-N 3.09Å; A157-T161 VanDerWaalsContact O-N 3.11Å; A157-T161 PolarHBondContact O-OG1 3.15Å; V158-T161 WeakPolarHBondContact CA-OG1 3.38Å; V158-T161 PolarHBondContact O-N 3.36Å; V158-T161 PolarHBondContact O-OG1 3.17Å; T161-N163 PolarHBondContact O-N 3.3Å; T161-I164 PolarHBondContact O-N 3.31Å; T161-T165 VanDerWaalsContact O-CB 3.3Å; T161-T165 WeakPolarHBondContact O-CB 3.45Å; T161-T165 WeakPolarHBondContact O-CG2 3.45Å; T161-T165 PolarHBondContact O-N 3.15Å; T161-T165 PolarHBondContact O-OG1 3.47Å
162A84.1Confident84.9Confident40 Ų4041 Ų4133%0.33123%0.227SC..Hα-helixtrans-63.8-43.8-172.900000111V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.46Å; V158-A162 PolarHBondContact O-N 2.88Å; A162-T165 WeakPolarHBondContact CA-OG1 3.3Å; A162-T165 PolarHBondContact O-OG1 2.77Å; A162-A166 WeakPolarHBondContact O-CB 3.24Å; A162-A166 PolarHBondContact O-N 3.28Å
163N87.4Confident85.2Confident58 Ų5841.8 Ų41.831%0.3123%0.233SC..Hα-helixtrans-63.8-49.6180-69.4-5.2000111.2R159 T161 G167 V206R159-N163 VanDerWaalsContact O-CG 3.28Å; R159-N163 PolarHBondContact O-N 2.85Å; T161-N163 PolarHBondContact O-N 3.3Å; N163-G167 PolarHBondContact O-N 3.02Å; N163-V206 HydrophobicContact CB-CG1 4Å
164I83.9Confident85.9Confident8 Ų842.8 Ų42.84%0.04124%0.237CC..Hα-helixtrans-69-40.4-176.9-59.2172.5000111.3N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.39Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.44Å; T93-I164 HydrophobicContact CG2-CG2 4.4Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.32Å; T96-I164 HydrophobicContact CG2-CB 4.35Å; T96-I164 HydrophobicContact CG2-CG2 3.63Å; L160-I164 HydrophobicContact CD1-CD1 3.75Å; L160-I164 HydrophobicContact CG-CD1 4.2Å; L160-I164 WeakPolarHBondContact O-CG1 3.31Å; L160-I164 PolarHBondContact O-N 3.11Å; T161-I164 PolarHBondContact O-N 3.31Å; I164-H168 WeakPolarHBondContact O-CB 3.29Å; I164-H168 PolarHBondContact O-CD2 3.01Å; I164-H168 PolarHBondContact O-N 3.14Å; I164-H168 VanDerWaalsContact O-N 3.08Å
165T86.7Confident86.2Confident36 Ų3640.2 Ų40.222%0.22123%0.231CC..Hα-helixtrans-67.1-46.8177.652.70000111.9F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.37Å; F9-T165 HydrophobicContact CE1-CG2 4.05Å; T96-T165 HydrophobicContact CG2-CG2 3.76Å; T161-T165 VanDerWaalsContact O-CB 3.3Å; T161-T165 WeakPolarHBondContact O-CB 3.45Å; T161-T165 WeakPolarHBondContact O-CG2 3.45Å; T161-T165 PolarHBondContact O-N 3.15Å; T161-T165 PolarHBondContact O-OG1 3.47Å; A162-T165 WeakPolarHBondContact CA-OG1 3.3Å; A162-T165 PolarHBondContact O-OG1 2.77Å; T165-H168 PolarHBondContact O-N 3.35Å; T165-L169 WeakPolarHBondContact O-CB 3.43Å; T165-L169 WeakPolarHBondContact O-CG 3.25Å; T165-L169 PolarHBondContact O-N 2.94Å
166A86.8Confident86.4Confident55 Ų5541 Ų4146%0.45523%0.234SC..Hα-helixtrans-64.2-43.1178.700000111.3A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.24Å; A162-A166 PolarHBondContact O-N 3.28Å; A166-L169 PolarHBondContact O-N 3.03Å; A166-L170 VanDerWaalsContact O-CB 3.29Å; A166-L170 WeakPolarHBondContact O-CB 2.93Å; A166-L170 PolarHBondContact O-N 3.07Å
167G87.5Confident86.9Confident5 Ų542.6 Ų42.65%0.05225%0.248CC..Hα-helixtrans-59.2-48176.600000112.7N163 L170 M171 E203N163-G167 PolarHBondContact O-N 3.02Å; G167-L170 PolarHBondContact O-N 3.13Å; G167-M171 WeakPolarHBondContact O-CG 3.4Å; G167-M171 PolarHBondContact O-N 3.26Å; G167-E203 WeakPolarHBondContact CA-OE2 3.5Å
168H87.1Confident87.3Confident34 Ų3443.4 Ų43.416%0.15725%0.253CS..Hα-helixtrans-62.5-42.5175.7-92.4-90.9000113.4F9 G86 I164 T165 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.16Å; F9-H168 HydrophobicContact CZ-CB 3.85Å; G86-H168 PolarHBondContact O-CE1 3.35Å; G86-H168 PolarHBondContact O-NE2 3.41Å; I164-H168 WeakPolarHBondContact O-CB 3.29Å; I164-H168 PolarHBondContact O-CD2 3.01Å; I164-H168 PolarHBondContact O-N 3.14Å; I164-H168 VanDerWaalsContact O-N 3.08Å; T165-H168 PolarHBondContact O-N 3.35Å; H168-L170 VanDerWaalsContact C-N 3.33Å; H168-M171 PolarHBondContact O-N 2.98Å; H168-H172 WeakPolarHBondContact O-CB 3.1Å; H168-H172 PolarHBondContact O-N 3.04Å
169L87.7Confident87.5Confident44 Ų4446.6 Ų46.623%0.2327%0.267CS..Hα-helixtrans-62-42.5175.2-77.6170.5000111.4F6 F9 T165 A166 H172 L173F6-L169 HydrophobicContact CD1-CD2 4.42Å; F6-L169 HydrophobicContact CE1-CD1 4.12Å; F6-L169 HydrophobicContact CE1-CD2 4.05Å; F6-L169 HydrophobicContact CZ-CD2 4.46Å; F9-L169 HydrophobicContact CE2-CD1 4.45Å; F9-L169 HydrophobicContact CE2-CD2 3.68Å; F9-L169 HydrophobicContact CE2-CG 3.76Å; F9-L169 HydrophobicContact CZ-CD2 4.32Å; F9-L169 HydrophobicContact CZ-CG 3.93Å; T165-L169 WeakPolarHBondContact O-CB 3.43Å; T165-L169 WeakPolarHBondContact O-CG 3.25Å; T165-L169 PolarHBondContact O-N 2.94Å; A166-L169 PolarHBondContact O-N 3.03Å; L169-H172 PolarHBondContact O-N 2.86Å; L169-L173 WeakPolarHBondContact O-CB 3.09Å; L169-L173 WeakPolarHBondContact O-CG 3.32Å; L169-L173 PolarHBondContact O-N 2.99Å
170L89.6Confident87.6Confident79 Ų7944 Ų4441%0.41427%0.267SS..Hα-helixtrans-67.3-42.7-179.6-154.2156000111A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.29Å; A166-L170 WeakPolarHBondContact O-CB 2.93Å; A166-L170 PolarHBondContact O-N 3.07Å; G167-L170 PolarHBondContact O-N 3.13Å; H168-L170 VanDerWaalsContact C-N 3.33Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 2.74Å; L170-L173 PolarHBondContact O-N 3.01Å; L170-I174 HydrophobicContact CD2-CD1 3.43Å; L170-I174 VanDerWaalsContact CD2-CD1 3.43Å; L170-I174 HydrophobicContact CD2-CG1 3.99Å; L170-I174 WeakPolarHBondContact O-CG1 3.35Å; L170-I174 PolarHBondContact O-N 3.07Å; L170-L199 HydrophobicContact CB-CD2 4.31Å; L170-L199 HydrophobicContact CD2-CD1 3.72Å; L170-L199 HydrophobicContact CD2-CD2 3.24Å; L170-L199 HydrophobicContact CD2-CG 4.09Å; L170-L199 HydrophobicContact CG-CD2 4.35Å
171M90.1Very high88Confident29 Ų2947 Ų4714%0.14328%0.282CS..Hα-helixtrans-58.5-43.3172.3-75.3-171.5-69.400111.8L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 4.06Å; G167-M171 WeakPolarHBondContact O-CG 3.4Å; G167-M171 PolarHBondContact O-N 3.26Å; H168-M171 PolarHBondContact O-N 2.98Å; M171-G175 PolarHBondContact O-N 3.26Å; M171-L199 HydrophobicContact CB-CD2 4.29Å; M171-L199 HydrophobicContact CG-CD2 3.55Å; M171-L199 HydrophobicContact CG-CG 4.15Å; M171-T200 HydrophobicContact SD-CG2 3.88Å; M171-E203 HydrophobicContact CE-CG 4.2Å
172H88.9Confident88.2Confident87 Ų8749.4 Ų49.440%0.40330%0.3SS..Hα-helixtrans-67.3-42.5178.4-170.2-63.3000112.3L5 H168 L169 L170 G175 S176L5-H172 WeakPolarHBondContact CD2-CE1 3.48Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.49Å; H168-H172 WeakPolarHBondContact O-CB 3.1Å; H168-H172 PolarHBondContact O-N 3.04Å; L169-H172 PolarHBondContact O-N 2.86Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 2.74Å; H172-G175 PolarHBondContact O-N 3.47Å; H172-S176 WeakPolarHBondContact O-CB 3.4Å; H172-S176 PolarHBondContact O-N 3.34Å; H172-S176 PolarHBondContact O-OG 3.47Å
173L89.6Confident88.3Confident90 Ų9053.1 Ų53.147%0.47132%0.318SS..Hα-helixtrans-62.9-48.4178.5-75.2171000111.2L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 4.21Å; L5-L173 HydrophobicContact CD2-CD2 4.48Å; L169-L173 WeakPolarHBondContact O-CB 3.09Å; L169-L173 WeakPolarHBondContact O-CG 3.32Å; L169-L173 PolarHBondContact O-N 2.99Å; L170-L173 PolarHBondContact O-N 3.01Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 2.89Å; L173-S176 PolarHBondContact O-N 3.29Å; L173-S176 PolarHBondContact O-OG 2.98Å; L173-A177 PolarHBondContact O-N 2.89Å
174I90.9Very high88.3Confident32 Ų3255.3 Ų55.316%0.16433%0.329CS..Hα-helixtrans-64.5-40.4176.8-64.8-172.8000110.6L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.43Å; L170-I174 VanDerWaalsContact CD2-CD1 3.43Å; L170-I174 HydrophobicContact CD2-CG1 3.99Å; L170-I174 WeakPolarHBondContact O-CG1 3.35Å; L170-I174 PolarHBondContact O-N 3.07Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.28Å; I174-A177 WeakPolarHBondContact O-CB 3.35Å; I174-A177 PolarHBondContact O-N 2.84Å; I174-A177 VanDerWaalsContact O-N 3.14Å; I174-T178 HydrophobicContact CG2-CG2 4.37Å; I174-T178 WeakPolarHBondContact O-CG2 3.39Å; I174-T178 PolarHBondContact O-N 3.47Å; I174-T178 PolarHBondContact O-OG1 2.87Å; I174-I192 HydrophobicContact CG2-CG2 3.79Å; I174-I195 HydrophobicContact CD1-CG2 4.02Å; I174-L196 HydrophobicContact CB-CD1 4.17Å; I174-L196 HydrophobicContact CG2-CB 3.91Å; I174-L196 HydrophobicContact CG2-CD1 3.96Å; I174-L196 HydrophobicContact CG2-CG 4.49Å; I174-L199 HydrophobicContact CD1-CD2 4.15Å
175G89.8Confident88.6Confident24 Ų2459.5 Ų59.525%0.24735%0.351CS..Hα-helixtrans-61.5-36.817500000113.6M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 3.26Å; H172-G175 PolarHBondContact O-N 3.47Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 2.89Å; G175-T178 WeakPolarHBondContact CA-OG1 3.43Å; G175-T178 PolarHBondContact O-OG1 3.4Å; G175-L179 PolarHBondContact O-N 2.95Å
176S88.8Confident88.6Confident58 Ų5864.6 Ų64.641%0.40638%0.377SS..Hα-helixtrans-70.8-35.3173.672.20000112.2H172 L173 I174 L179 A180H172-S176 WeakPolarHBondContact O-CB 3.4Å; H172-S176 PolarHBondContact O-N 3.34Å; H172-S176 PolarHBondContact O-OG 3.47Å; L173-S176 PolarHBondContact O-N 3.29Å; L173-S176 PolarHBondContact O-OG 2.98Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.28Å; S176-L179 PolarHBondContact O-N 2.86Å; S176-A180 WeakPolarHBondContact O-CB 3.27Å; S176-A180 PolarHBondContact O-N 3.33Å
177A88.1Confident88.7Confident40 Ų4066.4 Ų66.433%0.33138%0.384SS..Hα-helixtrans-69.2-40.5176.100000111.9L173 I174 L179 A180 M181L173-A177 PolarHBondContact O-N 2.89Å; I174-A177 WeakPolarHBondContact O-CB 3.35Å; I174-A177 PolarHBondContact O-N 2.84Å; I174-A177 VanDerWaalsContact O-N 3.14Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 2.7Å; A177-A180 PolarHBondContact O-N 3.32Å; A177-M181 WeakPolarHBondContact O-CB 3.23Å; A177-M181 WeakPolarHBondContact O-CG 3.34Å; A177-M181 PolarHBondContact O-N 2.98Å
178T90.4Very high88.7Confident18 Ų1868 Ų6811%0.1139%0.394CS..Hα-helixtrans-61.2-42.9174.1560000110.8I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.37Å; I174-T178 WeakPolarHBondContact O-CG2 3.39Å; I174-T178 PolarHBondContact O-N 3.47Å; I174-T178 PolarHBondContact O-OG1 2.87Å; G175-T178 WeakPolarHBondContact CA-OG1 3.43Å; G175-T178 PolarHBondContact O-OG1 3.4Å; T178-M181 PolarHBondContact O-N 3.42Å; T178-S182 WeakPolarHBondContact O-CB 3.49Å; T178-S182 PolarHBondContact O-N 3.35Å; T178-I192 HydrophobicContact CG2-CB 3.88Å; T178-I192 HydrophobicContact CG2-CG2 3.38Å
179L89.5Confident88.9Confident127 Ų12767.6 Ų67.667%0.66539%0.394SS*.Hα-helixtrans-65.8-42179-163.8142.7000111.6G175 S176 A177 S182G175-L179 PolarHBondContact O-N 2.95Å; S176-L179 PolarHBondContact O-N 2.86Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 2.7Å; L179-S182 WeakPolarHBondContact O-CB 3.29Å; L179-S182 PolarHBondContact O-N 3.42Å; L179-S182 PolarHBondContact O-OG 2.78Å
180A88.7Confident89.1Confident46 Ų4671.1 Ų71.138%0.3841%0.412SS..Hα-helixtrans-63.7-45.5174.800000112.2S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.27Å; S176-A180 PolarHBondContact O-N 3.33Å; A177-A180 PolarHBondContact O-N 3.32Å; A180-S182 VanDerWaalsContact C-N 3.27Å; A180-S182 PolarHBondContact O-N 3.23Å; A180-T183 PolarHBondContact O-N 3.3Å; A180-T183 PolarHBondContact O-OG1 3.26Å
181M87.5Confident89.3Confident63 Ų6372.4 Ų72.431%0.3142%0.419SS..Hα-helixtrans-69.2-24.9-179-68-64.3114.700113.3A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.23Å; A177-M181 WeakPolarHBondContact O-CG 3.34Å; A177-M181 PolarHBondContact O-N 2.98Å; T178-M181 PolarHBondContact O-N 3.42Å; M181-T183 PolarHBondContact O-N 3.05Å; M181-T183 VanDerWaalsContact O-N 3.16Å; M181-I184 HydrophobicContact CE-CD1 3.61Å; M181-I184 PolarHBondContact O-N 3.25Å; M181-I184 HydrophobicContact SD-CD1 4.17Å; M181-N185 PolarHBondContact O-N 3.27Å; M181-T189 PolarHBondContact O-OG1 2.6Å; M181-T189 VanDerWaalsContact O-OG1 3.09Å; M181-I192 HydrophobicContact CB-CD1 4.2Å; M181-I192 HydrophobicContact CG-CD1 3.66Å
182S88.1Confident89.4Confident65 Ų6573 Ų7346%0.45542%0.422SS..Hα-helixtrans-57.5-29.4177.276.70000113T178 L179 A180 T189T178-S182 WeakPolarHBondContact O-CB 3.49Å; T178-S182 PolarHBondContact O-N 3.35Å; L179-S182 WeakPolarHBondContact O-CB 3.29Å; L179-S182 PolarHBondContact O-N 3.42Å; L179-S182 PolarHBondContact O-OG 2.78Å; A180-S182 VanDerWaalsContact C-N 3.27Å; A180-S182 PolarHBondContact O-N 3.23Å; S182-T189 WeakPolarHBondContact CA-OG1 3.49Å; S182-T189 PolarHBondContact N-OG1 3.36Å
183T87.6Confident89.6Confident118 Ų11874 Ų7472%0.72443%0.426SS*.THydrogen-bonded Turntrans-82.2-18.7178.866.20000113.8A180 M181A180-T183 PolarHBondContact O-N 3.3Å; A180-T183 PolarHBondContact O-OG1 3.26Å; M181-T183 PolarHBondContact O-N 3.05Å; M181-T183 VanDerWaalsContact O-N 3.16Å
184I87.5Confident89.8Confident104 Ų10473.3 Ų73.353%0.53343%0.425SS..THydrogen-bonded Turntrans-99.4-60-172.9-59.6166.8000110.1M181M181-I184 HydrophobicContact CE-CD1 3.61Å; M181-I184 PolarHBondContact O-N 3.25Å; M181-I184 HydrophobicContact SD-CD1 4.17Å
185N88.8Confident89.9Confident95 Ų9575.7 Ų75.751%0.50844%0.437SS..  trans-146.9124.1-172.9-85.3-22.7000111.3M181 S188 T189M181-N185 PolarHBondContact O-N 3.27Å; N185-S188 WeakPolarHBondContact CB-OG 3.41Å; N185-S188 PolarHBondContact O-OG 3.28Å; N185-T189 PolarHBondContact O-N 3.31Å; N185-T189 PolarHBondContact O-OG1 2.96Å
186L87.6Confident90.1Very high144 Ų14476 Ų7675%0.75443%0.433SS*.Hα-helixtrans-61.9-46.6177.2-15994000114.3S188 T189 L190L186-S188 PolarHBondContact O-N 3.36Å; L186-T189 WeakPolarHBondContact O-CB 3.31Å; L186-T189 PolarHBondContact O-N 2.93Å; L186-L190 PolarHBondContact O-N 3.36Å
187P88.9Confident90.3Very high93 Ų9377 Ų7760%0.60443%0.433SS*.Hα-helixtrans-67.7-37.9-174.724.6-33.2000113T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.31Å; P187-T189 PolarHBondContact O-N 3.18Å; P187-L190 PolarHBondContact O-N 2.96Å; P187-I191 PolarHBondContact O-N 3.34Å
188S87.6Confident90.6Very high38 Ų3880.9 Ų80.927%0.26645%0.447SS..Hα-helixtrans-65.8-34.6173.946.10000112.4N185 L186 L190 I191 I192N185-S188 WeakPolarHBondContact CB-OG 3.41Å; N185-S188 PolarHBondContact O-OG 3.28Å; L186-S188 PolarHBondContact O-N 3.36Å; S188-L190 VanDerWaalsContact C-N 3.31Å; S188-L190 PolarHBondContact O-N 2.87Å; S188-I191 PolarHBondContact O-N 3.43Å; S188-I192 WeakPolarHBondContact O-CG1 3.34Å; S188-I192 PolarHBondContact O-N 3.4Å; S188-I192 VanDerWaalsContact O-N 3.15Å
189T92.1Very high90.7Very high25 Ų2581 Ų8115%0.15345%0.448CS..Hα-helixtrans-63.2-41.2176.7-58.80000111M181 S182 N185 L186 P187 I191 I192 F193M181-T189 PolarHBondContact O-OG1 2.6Å; M181-T189 VanDerWaalsContact O-OG1 3.09Å; S182-T189 WeakPolarHBondContact CA-OG1 3.49Å; S182-T189 PolarHBondContact N-OG1 3.36Å; N185-T189 PolarHBondContact O-N 3.31Å; N185-T189 PolarHBondContact O-OG1 2.96Å; L186-T189 WeakPolarHBondContact O-CB 3.31Å; L186-T189 PolarHBondContact O-N 2.93Å; P187-T189 VanDerWaalsContact C-N 3.31Å; P187-T189 PolarHBondContact O-N 3.18Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 2.98Å; T189-I192 PolarHBondContact O-N 2.76Å; T189-F193 VanDerWaalsContact O-CB 3.29Å; T189-F193 WeakPolarHBondContact O-CB 3.34Å; T189-F193 PolarHBondContact O-N 3.45Å
190L91.4Very high90.8Very high118 Ų11877.5 Ų77.562%0.61843%0.431SS*.Hα-helixtrans-61.2-41.2178.6-157.3112.7000111.6L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 3.36Å; P187-L190 PolarHBondContact O-N 2.96Å; S188-L190 VanDerWaalsContact C-N 3.31Å; S188-L190 PolarHBondContact O-N 2.87Å; L190-F193 PolarHBondContact O-N 3.25Å; L190-T194 VanDerWaalsContact O-CG2 3.31Å; L190-T194 WeakPolarHBondContact O-CG2 3.46Å; L190-T194 PolarHBondContact O-N 2.94Å
191I92.9Very high91Very high106 Ų10680.1 Ų80.154%0.54444%0.438SS..Hα-helixtrans-64-45.8177.6-62.4165.7000111.2P187 S188 T189 F193 T194 I195P187-I191 PolarHBondContact O-N 3.34Å; S188-I191 PolarHBondContact O-N 3.43Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 2.98Å; I191-F193 VanDerWaalsContact C-N 3.29Å; I191-F193 PolarHBondContact O-N 2.87Å; I191-T194 PolarHBondContact O-N 3.14Å; I191-T194 PolarHBondContact O-OG1 2.98Å; I191-I195 HydrophobicContact CG2-CD1 4.33Å; I191-I195 WeakPolarHBondContact O-CG1 3.4Å; I191-I195 PolarHBondContact O-N 3.37Å
192I92.9Very high91.2Very high42 Ų4282 Ų8222%0.21545%0.448CS..Hα-helixtrans-69.6-33.6-180-57167.3000110.3I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.79Å; T178-I192 HydrophobicContact CG2-CB 3.88Å; T178-I192 HydrophobicContact CG2-CG2 3.38Å; M181-I192 HydrophobicContact CB-CD1 4.2Å; M181-I192 HydrophobicContact CG-CD1 3.66Å; S188-I192 WeakPolarHBondContact O-CG1 3.34Å; S188-I192 PolarHBondContact O-N 3.4Å; S188-I192 VanDerWaalsContact O-N 3.15Å; T189-I192 PolarHBondContact O-N 2.76Å; I192-I195 WeakPolarHBondContact O-CB 3.07Å; I192-I195 PolarHBondContact O-N 3.47Å; I192-L196 PolarHBondContact O-N 2.98Å
193F92.4Very high91.3Very high109 Ų10979.5 Ų79.548%0.47843%0.43SS..Hα-helixtrans-66-39.1175.1-173.9-105.9000112.6T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.29Å; T189-F193 WeakPolarHBondContact O-CB 3.34Å; T189-F193 PolarHBondContact O-N 3.45Å; L190-F193 PolarHBondContact O-N 3.25Å; I191-F193 VanDerWaalsContact C-N 3.29Å; I191-F193 PolarHBondContact O-N 2.87Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.42Å; F193-L196 HydrophobicContact CD2-CD2 4.43Å; F193-L196 WeakPolarHBondContact O-CB 3.01Å; F193-L196 PolarHBondContact O-N 3.48Å; F193-I197 HydrophobicContact CD1-CD1 3.86Å; F193-I197 HydrophobicContact CE1-CD1 3.5Å; F193-I197 HydrophobicContact CE1-CG1 4.28Å; F193-I197 HydrophobicContact CZ-CD1 4.11Å; F193-I197 HydrophobicContact CZ-CG1 4.46Å; F193-I197 PolarHBondContact O-N 2.88Å; F193-I197 VanDerWaalsContact O-N 3.07Å
194T93.6Very high91.4Very high74 Ų7477.5 Ų77.545%0.45441%0.414SS..Hα-helixtrans-64.9-37.1173.562.50000111.9L190 I191 L196 I197 L198L190-T194 VanDerWaalsContact O-CG2 3.31Å; L190-T194 WeakPolarHBondContact O-CG2 3.46Å; L190-T194 PolarHBondContact O-N 2.94Å; I191-T194 PolarHBondContact O-N 3.14Å; I191-T194 PolarHBondContact O-OG1 2.98Å; T194-L196 VanDerWaalsContact C-N 3.35Å; T194-I197 PolarHBondContact O-N 3.43Å; T194-L198 PolarHBondContact O-N 3.43Å
195I94.4Very high91.6Very high82 Ų8274.5 Ų74.542%0.42141%0.405SS..Hα-helixtrans-62.1-42.2173.1-65.4166.6000111I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.02Å; I191-I195 HydrophobicContact CG2-CD1 4.33Å; I191-I195 WeakPolarHBondContact O-CG1 3.4Å; I191-I195 PolarHBondContact O-N 3.37Å; I192-I195 WeakPolarHBondContact O-CB 3.07Å; I192-I195 PolarHBondContact O-N 3.47Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.42Å; I195-I197 PolarHBondContact O-N 3.13Å; I195-L198 PolarHBondContact O-N 2.88Å; I195-L199 WeakPolarHBondContact O-CB 3.32Å; I195-L199 PolarHBondContact O-N 2.97Å
196L93.3Very high91.7Very high32 Ų3271.9 Ų71.917%0.16839%0.392CS..Hα-helixtrans-59.5-45.5176.1-177.367.4000111.5I174 I192 F193 T194 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.17Å; I174-L196 HydrophobicContact CG2-CB 3.91Å; I174-L196 HydrophobicContact CG2-CD1 3.96Å; I174-L196 HydrophobicContact CG2-CG 4.49Å; I192-L196 PolarHBondContact O-N 2.98Å; F193-L196 HydrophobicContact CD2-CD2 4.43Å; F193-L196 WeakPolarHBondContact O-CB 3.01Å; F193-L196 PolarHBondContact O-N 3.48Å; T194-L196 VanDerWaalsContact C-N 3.35Å; L196-L198 PolarHBondContact O-N 3.43Å; L196-L199 WeakPolarHBondContact O-CB 3.24Å; L196-L199 PolarHBondContact O-N 3.37Å; L196-T200 WeakPolarHBondContact O-CG2 3.36Å; L196-T200 PolarHBondContact O-N 3.17Å
197I92.7Very high91.7Very high78 Ų7865.2 Ų65.240%0.436%0.358SS..Hα-helixtrans-60.4-47.2176.3-67.3164.8000110.5F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.86Å; F193-I197 HydrophobicContact CE1-CD1 3.5Å; F193-I197 HydrophobicContact CE1-CG1 4.28Å; F193-I197 HydrophobicContact CZ-CD1 4.11Å; F193-I197 HydrophobicContact CZ-CG1 4.46Å; F193-I197 PolarHBondContact O-N 2.88Å; F193-I197 VanDerWaalsContact O-N 3.07Å; T194-I197 PolarHBondContact O-N 3.43Å; I195-I197 PolarHBondContact O-N 3.13Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.13Å; I197-T200 PolarHBondContact O-N 3.48Å; I197-T200 VanDerWaalsContact O-N 3.15Å; I197-T200 PolarHBondContact O-OG1 3.35Å; I197-I201 HydrophobicContact CG2-CD1 4.14Å; I197-I201 WeakPolarHBondContact O-CG1 3.44Å; I197-I201 PolarHBondContact O-N 2.85Å; I197-I201 VanDerWaalsContact O-N 3.14Å
198L94.8Very high91.7Very high121 Ų12164.9 Ų64.963%0.63435%0.35SS*.Hα-helixtrans-59.6-40.9179-175.865.3000111.8T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 3.43Å; I195-L198 PolarHBondContact O-N 2.88Å; L196-L198 PolarHBondContact O-N 3.43Å; L198-I201 PolarHBondContact O-N 3.01Å; L198-L202 PolarHBondContact O-N 2.94Å
199L93.2Very high91.8Very high22 Ų2268.1 Ų68.112%0.11536%0.364CS..Hα-helixtrans-62.5-42.9176-178.672.2000112L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.31Å; L170-L199 HydrophobicContact CD2-CD1 3.72Å; L170-L199 HydrophobicContact CD2-CD2 3.24Å; L170-L199 HydrophobicContact CD2-CG 4.09Å; L170-L199 HydrophobicContact CG-CD2 4.35Å; M171-L199 HydrophobicContact CB-CD2 4.29Å; M171-L199 HydrophobicContact CG-CD2 3.55Å; M171-L199 HydrophobicContact CG-CG 4.15Å; I174-L199 HydrophobicContact CD1-CD2 4.15Å; I195-L199 WeakPolarHBondContact O-CB 3.32Å; I195-L199 PolarHBondContact O-N 2.97Å; L196-L199 WeakPolarHBondContact O-CB 3.24Å; L196-L199 PolarHBondContact O-N 3.37Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.13Å; L199-I201 VanDerWaalsContact C-N 3.28Å; L199-I201 PolarHBondContact O-N 3.06Å; L199-L202 HydrophobicContact CD1-CD2 4.47Å; L199-L202 WeakPolarHBondContact O-CB 3.44Å; L199-L202 PolarHBondContact O-N 3.46Å; L199-E203 PolarHBondContact O-N 3.33Å
200T91.1Very high91.6Very high53 Ų5367.5 Ų67.533%0.32536%0.359SS..Hα-helixtrans-61.6-38.5177.761.20000111.9M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.88Å; L196-T200 WeakPolarHBondContact O-CG2 3.36Å; L196-T200 PolarHBondContact O-N 3.17Å; I197-T200 PolarHBondContact O-N 3.48Å; I197-T200 VanDerWaalsContact O-N 3.15Å; I197-T200 PolarHBondContact O-OG1 3.35Å; T200-E203 PolarHBondContact O-N 2.96Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.49Å; T200-I204 PolarHBondContact O-N 3.21Å
201I92.4Very high91.5Very high101 Ų10162 Ų6252%0.51833%0.33SS..Hα-helixtrans-65.1-43.4175.8-64.4167.9000110.5I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.14Å; I197-I201 WeakPolarHBondContact O-CG1 3.44Å; I197-I201 PolarHBondContact O-N 2.85Å; I197-I201 VanDerWaalsContact O-N 3.14Å; L198-I201 PolarHBondContact O-N 3.01Å; L199-I201 VanDerWaalsContact C-N 3.28Å; L199-I201 PolarHBondContact O-N 3.06Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.03Å; I201-I204 PolarHBondContact O-N 3.06Å; I201-A205 PolarHBondContact O-N 3.49Å; I201-A205 VanDerWaalsContact O-N 3.13Å
202L91.4Very high91.2Very high101 Ų10162 Ų6253%0.52932%0.324SS..Hα-helixtrans-59.3-45.2175.8179.768.2000111L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 2.94Å; L199-L202 HydrophobicContact CD1-CD2 4.47Å; L199-L202 WeakPolarHBondContact O-CB 3.44Å; L199-L202 PolarHBondContact O-N 3.46Å; L202-I204 PolarHBondContact O-N 2.92Å; L202-A205 WeakPolarHBondContact O-CB 3.49Å; L202-A205 PolarHBondContact O-N 3.01Å; L202-A205 VanDerWaalsContact O-N 3.13Å; L202-V206 HydrophobicContact CD1-CG2 4.35Å; L202-V206 HydrophobicContact CG-CG2 4.31Å; L202-V206 WeakPolarHBondContact O-CG2 3.42Å; L202-V206 PolarHBondContact O-N 3.41Å
203E90.6Very high91Very high13 Ų1362.1 Ų62.16%0.06133%0.327CS..Hα-helixtrans-66.4-38.1-177.4-161.265.6-16000112L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD2-CB 4.17Å; L87-E203 HydrophobicContact CD2-CG 3.41Å; L87-E203 VanDerWaalsContact CD2-CG 3.41Å; G167-E203 WeakPolarHBondContact CA-OE2 3.5Å; M171-E203 HydrophobicContact CE-CG 4.2Å; L199-E203 PolarHBondContact O-N 3.33Å; T200-E203 PolarHBondContact O-N 2.96Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.03Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 2.79Å; E203-V206 PolarHBondContact O-N 3.11Å; E203-A207 VanDerWaalsContact O-CB 3.31Å; E203-A207 WeakPolarHBondContact O-CB 3.28Å; E203-A207 PolarHBondContact O-N 2.91Å
204I90.4Very high90.7Very high77 Ų7756.9 Ų56.940%0.39530%0.304SS..Hα-helixtrans-59.6-43.4171.9-66.7164.4000110.6L84 L87 T200 I201 L202 L208L84-I204 HydrophobicContact CD2-CG2 4.25Å; L87-I204 HydrophobicContact CD1-CB 4.19Å; L87-I204 HydrophobicContact CD1-CG1 3.58Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.49Å; T200-I204 PolarHBondContact O-N 3.21Å; I201-I204 PolarHBondContact O-N 3.06Å; L202-I204 PolarHBondContact O-N 2.92Å; I204-L208 PolarHBondContact O-N 3.37Å
205A91.3Very high90.4Very high41 Ų4153.4 Ų53.434%0.33928%0.282SS..Hα-helixtrans-65.5-45.3177.600000111.7I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 3.49Å; I201-A205 VanDerWaalsContact O-N 3.13Å; L202-A205 WeakPolarHBondContact O-CB 3.49Å; L202-A205 PolarHBondContact O-N 3.01Å; L202-A205 VanDerWaalsContact O-N 3.13Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 2.79Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.37Å; A205-L208 PolarHBondContact O-N 3.38Å; A205-I209 VanDerWaalsContact O-CG1 3.28Å; A205-I209 WeakPolarHBondContact O-CG1 3.44Å; A205-I209 PolarHBondContact O-N 3.2Å
206V90.9Very high90.1Very high40 Ų4052.3 Ų52.324%0.24228%0.277CS..Hα-helixtrans-61.5-42.5177.4172.30000110.9N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4Å; L202-V206 HydrophobicContact CD1-CG2 4.35Å; L202-V206 HydrophobicContact CG-CG2 4.31Å; L202-V206 WeakPolarHBondContact O-CG2 3.42Å; L202-V206 PolarHBondContact O-N 3.41Å; E203-V206 PolarHBondContact O-N 3.11Å; V206-L208 PolarHBondContact O-N 3.45Å; V206-I209 PolarHBondContact O-N 2.96Å; V206-Q210 WeakPolarHBondContact O-CB 3.28Å; V206-Q210 PolarHBondContact O-N 2.83Å
207A88.4Confident89.7Confident4 Ų452.6 Ų52.63%0.03328%0.279CS..Hα-helixtrans-57.6-4617700000112.1N83 L87 E203 A205 T211N83-A207 HydrophobicContact CB-CB 4.05Å; L87-A207 HydrophobicContact CD1-CB 4.16Å; E203-A207 VanDerWaalsContact O-CB 3.31Å; E203-A207 WeakPolarHBondContact O-CB 3.28Å; E203-A207 PolarHBondContact O-N 2.91Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.37Å; A207-T211 WeakPolarHBondContact O-CG2 3.42Å; A207-T211 PolarHBondContact O-N 3.07Å
208L87.8Confident89.2Confident86 Ų8649.3 Ų49.345%0.4526%0.262SS..Hα-helixtrans-67.7-49.1177-86.2164.9000112.2I204 A205 V206 Q210 T211 Y212I204-L208 PolarHBondContact O-N 3.37Å; A205-L208 PolarHBondContact O-N 3.38Å; V206-L208 PolarHBondContact O-N 3.45Å; L208-Q210 VanDerWaalsContact C-N 3.29Å; L208-Q210 PolarHBondContact O-N 2.81Å; L208-T211 PolarHBondContact O-N 3.33Å; L208-T211 PolarHBondContact O-OG1 3.47Å; L208-Y212 PolarHBondContact O-N 3.29Å
209I90.1Very high88.8Confident106 Ų10644.1 Ų44.154%0.54424%0.236SC..Hα-helixtrans-59.7-42.2-179.4-68.2166.4000110.7A205 V206 T211 Y212 V213A205-I209 VanDerWaalsContact O-CG1 3.28Å; A205-I209 WeakPolarHBondContact O-CG1 3.44Å; A205-I209 PolarHBondContact O-N 3.2Å; V206-I209 PolarHBondContact O-N 2.96Å; I209-T211 VanDerWaalsContact C-N 3.32Å; I209-T211 PolarHBondContact O-N 3.47Å; I209-Y212 WeakPolarHBondContact O-CB 3.24Å; I209-Y212 PolarHBondContact O-N 3.49Å; I209-V213 HydrophobicContact CG2-CG2 4.13Å; I209-V213 WeakPolarHBondContact O-CG2 3.35Å; I209-V213 PolarHBondContact O-N 3.14Å
210Q87.8Confident88.3Confident11 Ų1146.6 Ų46.65%0.05125%0.249CC..Hα-helixtrans-65.1-36.8-178.1-175.562.613.800112R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact CD-OE1 3.31Å; R159-Q210 VanDerWaalsContact CG-NE2 3.31Å; L160-Q210 HydrophobicContact CB-CG 4.26Å; L160-Q210 HydrophobicContact CD1-CB 4.39Å; L160-Q210 HydrophobicContact CD1-CG 3.45Å; L160-Q210 VanDerWaalsContact CD1-CG 3.45Å; L160-Q210 HydrophobicContact CG-CG 4.46Å; L160-Q210 VanDerWaalsContact N-NE2 3.18Å; V206-Q210 WeakPolarHBondContact O-CB 3.28Å; V206-Q210 PolarHBondContact O-N 2.83Å; L208-Q210 VanDerWaalsContact C-N 3.29Å; L208-Q210 PolarHBondContact O-N 2.81Å; Q210-Y212 VanDerWaalsContact C-N 3.35Å; Q210-F214 VanDerWaalsContact O-CB 3.31Å; Q210-F214 WeakPolarHBondContact O-CB 3.45Å; Q210-F214 PolarHBondContact O-N 3.48Å
211T88.3Confident87.7Confident3 Ų345.2 Ų45.22%0.01824%0.238CC..Hα-helixtrans-65.4-39.7175.168.40000112.1I79 A80 N83 A207 L208 I209 T215I79-T211 HydrophobicContact CB-CG2 4.04Å; I79-T211 HydrophobicContact CG2-CG2 3.59Å; A80-T211 HydrophobicContact CB-CG2 4.08Å; N83-T211 WeakPolarHBondContact ND2-CG2 2.97Å; A207-T211 WeakPolarHBondContact O-CG2 3.42Å; A207-T211 PolarHBondContact O-N 3.07Å; L208-T211 PolarHBondContact O-N 3.33Å; L208-T211 PolarHBondContact O-OG1 3.47Å; I209-T211 VanDerWaalsContact C-N 3.32Å; I209-T211 PolarHBondContact O-N 3.47Å; T211-T215 WeakPolarHBondContact O-CG2 3.43Å; T211-T215 PolarHBondContact O-N 3.34Å; T211-T215 VanDerWaalsContact O-N 3.17Å; T211-T215 PolarHBondContact O-OG1 3.29Å
212Y88.4Confident87.1Confident106 Ų10640.6 Ų40.642%0.41621%0.214SC..Hα-helixtrans-66.6-47.9176.3178.6-101.4000111.8M57 L208 I209 Q210 F214 T215 L216M57-Y212 HydrophobicContact CE-CD2 4.45Å; L208-Y212 PolarHBondContact O-N 3.29Å; I209-Y212 WeakPolarHBondContact O-CB 3.24Å; I209-Y212 PolarHBondContact O-N 3.49Å; Q210-Y212 VanDerWaalsContact C-N 3.35Å; Y212-F214 VanDerWaalsContact C-N 3.31Å; Y212-F214 PolarHBondContact O-N 3.32Å; Y212-T215 PolarHBondContact O-N 2.95Å; Y212-T215 PolarHBondContact O-OG1 2.9Å; Y212-L216 HydrophobicContact CE1-CD1 3.64Å; Y212-L216 VanDerWaalsContact O-CB 3.24Å; Y212-L216 WeakPolarHBondContact O-CB 3.4Å; Y212-L216 PolarHBondContact O-N 3Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.5Å
213V88.9Confident86.6Confident44 Ų4439.5 Ų39.527%0.26721%0.206SC..Hα-helixtrans-62.8-38.9178.2173.10000111.3I209 L217I209-V213 HydrophobicContact CG2-CG2 4.13Å; I209-V213 WeakPolarHBondContact O-CG2 3.35Å; I209-V213 PolarHBondContact O-N 3.14Å; V213-L217 HydrophobicContact CG1-CD1 3.85Å; V213-L217 HydrophobicContact CG1-CG 4.47Å; V213-L217 WeakPolarHBondContact O-CB 3.48Å; V213-L217 WeakPolarHBondContact O-CG 3.2Å; V213-L217 PolarHBondContact O-N 3.27Å
214F85.8Confident85.9Confident0 Ų042.5 Ų42.50%022%0.222CC..Hα-helixtrans-57.3-53.8176.1-173.8-81.1000111.5L75 I79 A105 L108 L156 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.2Å; L75-F214 HydrophobicContact CD2-CD1 3.93Å; L75-F214 HydrophobicContact CD2-CE1 3.78Å; L75-F214 HydrophobicContact CG-CE1 4.28Å; I79-F214 HydrophobicContact CD1-CD1 3.47Å; I79-F214 VanDerWaalsContact CD1-CD1 3.47Å; I79-F214 HydrophobicContact CD1-CE1 3.68Å; I79-F214 HydrophobicContact CD1-CG 3.99Å; I79-F214 HydrophobicContact CD1-CZ 4.34Å; A105-F214 HydrophobicContact CB-CE2 4.35Å; A105-F214 HydrophobicContact CB-CZ 4.18Å; L108-F214 HydrophobicContact CD1-CE1 4.23Å; L156-F214 HydrophobicContact CD1-CD2 4.26Å; L156-F214 HydrophobicContact CD2-CD1 4.22Å; L156-F214 HydrophobicContact CD2-CD2 3.25Å; L156-F214 HydrophobicContact CD2-CE1 4.16Å; L156-F214 HydrophobicContact CD2-CE2 3.17Å; L156-F214 HydrophobicContact CD2-CG 3.78Å; L156-F214 HydrophobicContact CD2-CZ 3.66Å; L156-F214 HydrophobicContact CG-CD2 3.41Å; L156-F214 VanDerWaalsContact CG-CD2 3.41Å; L156-F214 HydrophobicContact CG-CE2 3.65Å; L156-F214 HydrophobicContact CG-CG 4.17Å; Q210-F214 VanDerWaalsContact O-CB 3.31Å; Q210-F214 WeakPolarHBondContact O-CB 3.45Å; Q210-F214 PolarHBondContact O-N 3.48Å; Y212-F214 VanDerWaalsContact C-N 3.31Å; Y212-F214 PolarHBondContact O-N 3.32Å; F214-L217 PolarHBondContact O-N 2.67Å; F214-V218 HydrophobicContact CD1-CG2 4.39Å; F214-V218 HydrophobicContact CE1-CG2 4.17Å; F214-V218 WeakPolarHBondContact O-CG2 3.36Å; F214-V218 PolarHBondContact O-N 3.15Å
215T87.1Confident85.1Confident0 Ų040.3 Ų40.30%021%0.212CC..Hα-helixtrans-71-35.9-176.149.60000112.5M57 L75 I76 T211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.32Å; L75-T215 HydrophobicContact CB-CG2 4.43Å; L75-T215 HydrophobicContact CD2-CG2 3.57Å; L75-T215 HydrophobicContact CG-CG2 4.01Å; I76-T215 HydrophobicContact CB-CG2 3.53Å; I76-T215 HydrophobicContact CG1-CG2 3.97Å; T211-T215 WeakPolarHBondContact O-CG2 3.43Å; T211-T215 PolarHBondContact O-N 3.34Å; T211-T215 VanDerWaalsContact O-N 3.17Å; T211-T215 PolarHBondContact O-OG1 3.29Å; Y212-T215 PolarHBondContact O-N 2.95Å; Y212-T215 PolarHBondContact O-OG1 2.9Å; T215-V218 PolarHBondContact O-N 3.18Å; T215-S219 WeakPolarHBondContact O-CB 3.48Å; T215-S219 PolarHBondContact O-N 3.16Å
216L86.6Confident84Confident59 Ų5939.7 Ų39.731%0.30920%0.204SC..Hα-helixtrans-62.8-45.7174.7-173.8150.7000111.7Y212 V218 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.64Å; Y212-L216 VanDerWaalsContact O-CB 3.24Å; Y212-L216 WeakPolarHBondContact O-CB 3.4Å; Y212-L216 PolarHBondContact O-N 3Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.5Å; L216-V218 PolarHBondContact O-N 3Å; L216-S219 CarbonylContact O-C 3.58Å; L216-S219 WeakPolarHBondContact O-CA 3.42Å; L216-S219 WeakPolarHBondContact O-CB 3.47Å; L216-S219 PolarHBondContact O-N 3.07Å; L216-S219 VanDerWaalsContact O-N 3.13Å; L216-S219 PolarHBondContact O-OG 3.22Å; L216-L220 PolarHBondContact O-N 2.79Å
217L85.1Confident83.7Confident39 Ų3939.7 Ų39.720%0.20420%0.202CC..Hα-helixtrans-62.8-42.9178.2-76167.7000111.6L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 4.09Å; L156-L217 HydrophobicContact CD1-CD1 3.35Å; L156-L217 HydrophobicContact CD1-CG 4.34Å; V213-L217 HydrophobicContact CG1-CD1 3.85Å; V213-L217 HydrophobicContact CG1-CG 4.47Å; V213-L217 WeakPolarHBondContact O-CB 3.48Å; V213-L217 WeakPolarHBondContact O-CG 3.2Å; V213-L217 PolarHBondContact O-N 3.27Å; F214-L217 PolarHBondContact O-N 2.67Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.09Å; L217-L220 PolarHBondContact O-N 3.24Å; L217-Y221 HydrophobicContact CB-CE2 4.15Å; L217-Y221 WeakPolarHBondContact O-CD2 3.44Å; L217-Y221 VanDerWaalsContact O-CE2 3.31Å; L217-Y221 WeakPolarHBondContact O-CE2 3.48Å; L217-Y221 PolarHBondContact O-N 3.48Å
218V83.7Confident83.4Confident9 Ų941.6 Ų41.66%0.05521%0.211CC..Hα-helixtrans-58.8-41.6173.1178.20000111.2L72 L108 L156 F214 T215 L216 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.21Å; L72-V218 HydrophobicContact CD2-CG1 3.82Å; L108-V218 HydrophobicContact CB-CG1 4.4Å; L156-V218 HydrophobicContact CD2-CG2 4.34Å; F214-V218 HydrophobicContact CD1-CG2 4.39Å; F214-V218 HydrophobicContact CE1-CG2 4.17Å; F214-V218 WeakPolarHBondContact O-CG2 3.36Å; F214-V218 PolarHBondContact O-N 3.15Å; T215-V218 PolarHBondContact O-N 3.18Å; L216-V218 PolarHBondContact O-N 3Å; V218-Y221 PolarHBondContact O-N 2.64Å; V218-L222 PolarHBondContact O-N 2.99Å; V218-L222 VanDerWaalsContact O-N 3.08Å
219S85.1Confident83.2Confident11 Ų1139.1 Ų39.18%0.07720%0.197CC..Hα-helixtrans-65.7-38.1177.188.70000112.4H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact CE1-O 3.39Å; H61-S219 PolarHBondContact NE2-O 2.99Å; T215-S219 WeakPolarHBondContact O-CB 3.48Å; T215-S219 PolarHBondContact O-N 3.16Å; L216-S219 CarbonylContact O-C 3.58Å; L216-S219 WeakPolarHBondContact O-CA 3.42Å; L216-S219 WeakPolarHBondContact O-CB 3.47Å; L216-S219 PolarHBondContact O-N 3.07Å; L216-S219 VanDerWaalsContact O-N 3.13Å; L216-S219 PolarHBondContact O-OG 3.22Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.09Å; S219-L222 WeakPolarHBondContact O-CB 3.47Å; S219-L222 PolarHBondContact O-N 3.48Å; S219-H223 PolarHBondContact O-N 3.32Å
220L83.2Confident82.8Confident75 Ų7535.2 Ų35.239%0.39318%0.177SC..Hα-helixtrans-66.8-41.9177.7-170.3149.6000111.1L216 L217 L222 H223 D224L216-L220 PolarHBondContact O-N 2.79Å; L217-L220 PolarHBondContact O-N 3.24Å; L220-L222 VanDerWaalsContact C-N 3.26Å; L220-L222 PolarHBondContact O-N 2.95Å; L220-H223 WeakPolarHBondContact O-CA 3.37Å; L220-H223 WeakPolarHBondContact O-CB 3.4Å; L220-H223 PolarHBondContact O-N 3.47Å; L220-H223 VanDerWaalsContact O-N 3.09Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.32Å; L220-D224 PolarHBondContact O-N 2.88Å
221Y78.6Confident82.4Confident24 Ų2436.7 Ų36.79%0.09419%0.185CC..Hα-helixtrans-61.6-37.9172.5-61.7-54.7000112.4Q152 L217 V218 H223 D224 N225Q152-Y221 HydrophobicContact CG-CE1 4.42Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.4Å; Q152-Y221 PolarHBondContact NE2-OH 3.29Å; Q152-Y221 PolarHBondContact OE1-OH 3.2Å; L217-Y221 HydrophobicContact CB-CE2 4.15Å; L217-Y221 WeakPolarHBondContact O-CD2 3.44Å; L217-Y221 VanDerWaalsContact O-CE2 3.31Å; L217-Y221 WeakPolarHBondContact O-CE2 3.48Å; L217-Y221 PolarHBondContact O-N 3.48Å; V218-Y221 PolarHBondContact O-N 2.64Å; Y221-H223 VanDerWaalsContact C-N 3.3Å; Y221-D224 PolarHBondContact O-N 3.31Å; Y221-N225 VanDerWaalsContact O-CB 3.3Å; Y221-N225 WeakPolarHBondContact O-CB 3.41Å; Y221-N225 PolarHBondContact O-N 2.82Å; Y221-N225 VanDerWaalsContact O-N 3.08Å; Y221-N225 PolarHBondContact O-ND2 3.39Å
222L80.1Confident82Confident3 Ų338.9 Ų38.92%0.01620%0.196CC..Hα-helixtrans-63.5-42.3175.8-166.579.8000110.3W68 A112 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.51Å; W68-L222 HydrophobicContact CD2-CD1 3.55Å; W68-L222 HydrophobicContact CD2-CD2 4.18Å; W68-L222 HydrophobicContact CE3-CD1 3.6Å; W68-L222 HydrophobicContact CE3-CD2 4.44Å; W68-L222 HydrophobicContact CG-CD1 3.9Å; W68-L222 HydrophobicContact CG-CD2 3.7Å; W68-L222 HydrophobicContact CG-CG 4.47Å; W68-L222 HydrophobicContact CZ3-CD1 4.17Å; A112-L222 HydrophobicContact CB-CD1 4.35Å; V218-L222 PolarHBondContact O-N 2.99Å; V218-L222 VanDerWaalsContact O-N 3.08Å; S219-L222 WeakPolarHBondContact O-CB 3.47Å; S219-L222 PolarHBondContact O-N 3.48Å; L220-L222 VanDerWaalsContact C-N 3.26Å; L220-L222 PolarHBondContact O-N 2.95Å; L222-N225 PolarHBondContact O-N 3.36Å; L222-T226 HydrophobicContact CG-CG2 4.31Å; L222-T226 WeakPolarHBondContact O-CB 3.29Å; L222-T226 WeakPolarHBondContact O-CG2 3.31Å; L222-T226 PolarHBondContact O-N 2.97Å; L222-T226 VanDerWaalsContact O-N 3.13Å; L222-T226 PolarHBondContact O-OG1 3.15Å
223H80.5Confident81.6Confident79 Ų7934.1 Ų34.137%0.36618%0.18SC..Hα-helixtrans-58.6-52.5175.7-175.783.9000111.7M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 3.37Å; M60-H223 PolarHBondContact O-ND1 3.45Å; S219-H223 PolarHBondContact O-N 3.32Å; L220-H223 WeakPolarHBondContact O-CA 3.37Å; L220-H223 WeakPolarHBondContact O-CB 3.4Å; L220-H223 PolarHBondContact O-N 3.47Å; L220-H223 VanDerWaalsContact O-N 3.09Å; Y221-H223 VanDerWaalsContact C-N 3.3Å; H223-N225 PolarHBondContact O-N 3.4Å; H223-T226 PolarHBondContact O-N 3.34Å; H223-T226 VanDerWaalsContact O-N 3.08Å; H223-T226 PolarHBondContact O-OG1 3.46Å
224D76.7Confident81Confident75 Ų7533.4 Ų33.440%0.40117%0.174SC..Hα-helixtrans-60.6-31.6-178.9-65.4-16000112.7L220 Y221L220-D224 WeakPolarHBondContact CD2-OD2 3.32Å; L220-D224 PolarHBondContact O-N 2.88Å; Y221-D224 PolarHBondContact O-N 3.31Å
225N72.8Confident80.6Confident32 Ų3236.2 Ų36.217%0.17119%0.188CC..THydrogen-bonded Turntrans-89.8-2.2179.7-74.3-67.7000114.3G116 S119 Y221 L222 H223G116-N225 VanDerWaalsContact CA-O 3.22Å; G116-N225 WeakPolarHBondContact CA-O 3.47Å; S119-N225 PolarHBondContact OG-O 3.39Å; Y221-N225 VanDerWaalsContact O-CB 3.3Å; Y221-N225 WeakPolarHBondContact O-CB 3.41Å; Y221-N225 PolarHBondContact O-N 2.82Å; Y221-N225 VanDerWaalsContact O-N 3.08Å; Y221-N225 PolarHBondContact O-ND2 3.39Å; L222-N225 PolarHBondContact O-N 3.36Å; H223-N225 PolarHBondContact O-N 3.4Å
226T68.2Low80Confident28 Ų2839.5 Ų39.517%0.17221%0.205CC..  trans-1080-178.555.70000114.9K120 L222 H223K120-T226 WeakPolarHBondContact CE-O 3.17Å; K120-T226 VanDerWaalsContact NZ-C 3.34Å; K120-T226 PolarHBondContact NZ-O 3.17Å; K120-T226 PolarHBondContact NZ-OXT 3.2Å; L222-T226 HydrophobicContact CG-CG2 4.31Å; L222-T226 WeakPolarHBondContact O-CB 3.29Å; L222-T226 WeakPolarHBondContact O-CG2 3.31Å; L222-T226 PolarHBondContact O-N 2.97Å; L222-T226 VanDerWaalsContact O-N 3.13Å; L222-T226 PolarHBondContact O-OG1 3.15Å; H223-T226 PolarHBondContact O-N 3.34Å; H223-T226 VanDerWaalsContact O-N 3.08Å; H223-T226 PolarHBondContact O-OG1 3.46Å

Retrieved 226 of 226 residues in 61.6 ms (Link to these results)

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