A0A023I889_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A023I889, 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
1M56Low73.8Confident200 Ų20098.3 Ų98.399%0.98553%0.53SS*.  0-39.40-74.6176.9114.200112.6E3 N4M1-E3 PolarHBondContact O-N 3.16Å; M1-N4 PolarHBondContact O-N 3.21Å
2N53.7Low74.6Confident142 Ų14293.3 Ų93.376%0.75951%0.507SS*.Hα-helixtrans-57.8-39.8-178-82.919.7000115.5
3E61.4Low75.6Confident160 Ų16093.7 Ų93.775%0.74851%0.514SS*.Hα-helixtrans-80.3-21.8-177.6-62-132150.900113.9M1 L5 F6 A7M1-E3 PolarHBondContact O-N 3.16Å; E3-L5 VanDerWaalsContact C-N 3.26Å; E3-L5 PolarHBondContact O-N 3.46Å; E3-F6 PolarHBondContact O-N 2.99Å; E3-A7 PolarHBondContact O-N 2.77Å; E3-A7 VanDerWaalsContact O-N 3.1Å
4N74.7Confident76.4Confident117 Ų11795.1 Ų95.163%0.62652%0.519SS*.Hα-helixtrans-68.9-28.7-176.3-65.58000112M1M1-N4 PolarHBondContact O-N 3.21Å
5L75.3Confident76.9Confident43 Ų43100.3 Ų100.323%0.22554%0.544CS..Hα-helixtrans-68.5-35.7177.3-70.2173.4000112.2E3 H172 L173E3-L5 VanDerWaalsContact C-N 3.26Å; E3-L5 PolarHBondContact O-N 3.46Å; L5-H172 VanDerWaalsContact CD2-CE1 3.45Å; L5-H172 WeakPolarHBondContact CD2-CE1 2.92Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.28Å; L5-L173 HydrophobicContact CD1-CD2 4.1Å; L5-L173 HydrophobicContact CD2-CD2 4.23Å
6F81.8Confident77.3Confident117 Ų11798.4 Ų98.451%0.51356%0.556SS.*Hα-helixtrans-93-9.6-177.3-67.2-76000113.7E3 S8 F9 L169E3-F6 PolarHBondContact O-N 2.99Å; F6-S8 PolarHBondContact O-N 3.42Å; F6-S8 VanDerWaalsContact O-N 3.14Å; F6-F9 AromaticContact CD1-CD2 4Å; F6-F9 HydrophobicContact CD1-CD2 4Å; F6-F9 HydrophobicContact CD1-CE2 4.38Å; F6-F9 PolarHBondContact O-N 3.37Å; F6-L169 HydrophobicContact CD1-CD2 4.39Å; F6-L169 HydrophobicContact CE1-CD1 4.15Å; F6-L169 HydrophobicContact CE1-CD2 4.02Å; F6-L169 HydrophobicContact CZ-CD2 4.45Å
7A79.4Confident77.7Confident54 Ų54100.1 Ų100.145%0.44656%0.563SS.*G310 helixtrans-55.2-32.9-179.800000113.2E3 F9 I10E3-A7 PolarHBondContact O-N 2.77Å; E3-A7 VanDerWaalsContact O-N 3.1Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 3.33Å; A7-I10 PolarHBondContact O-N 3.36Å
8S79.1Confident78.1Confident58 Ų5898.9 Ų98.941%0.40656%0.56SS.*G310 helixtrans-68.9-20.1176.8570000114.1F6 F92F6-S8 PolarHBondContact O-N 3.42Å; F6-S8 VanDerWaalsContact O-N 3.14Å; S8-F92 WeakPolarHBondContact O-CD2 3.39Å
9F82.5Confident78.5Confident24 Ų2494.7 Ų94.711%0.10554%0.539CS..G310 helixtrans-93.4-10.2178-58.8-70.7000112.9F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 AromaticContact CD1-CD2 4Å; F6-F9 HydrophobicContact CD1-CD2 4Å; F6-F9 HydrophobicContact CD1-CE2 4.38Å; F6-F9 PolarHBondContact O-N 3.37Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 3.33Å; F9-A11 PolarHBondContact O-N 3.34Å; F9-T96 HydrophobicContact CD1-CG2 3.82Å; F9-T96 HydrophobicContact CE1-CG2 3.7Å; F9-Q97 PolarHBondContact O-NE2 3.37Å; F9-T165 HydrophobicContact CD1-CG2 4.38Å; F9-T165 HydrophobicContact CE1-CG2 4.08Å; F9-H168 HydrophobicContact CE1-CB 4.11Å; F9-H168 HydrophobicContact CZ-CB 3.83Å; F9-L169 HydrophobicContact CE2-CD1 4.46Å; F9-L169 HydrophobicContact CE2-CD2 3.65Å; F9-L169 HydrophobicContact CE2-CG 3.75Å; F9-L169 HydrophobicContact CZ-CD2 4.27Å; F9-L169 HydrophobicContact CZ-CG 3.9Å
10I84.6Confident78.9Confident114 Ų11491 Ų9159%0.58552%0.52SS*.SBendtrans-69.6129.4178.4-59.3175000108.5A7 P12A7-I10 PolarHBondContact O-N 3.36Å; I10-P12 WeakPolarHBondContact O-CD 3.27Å
11A83.3Confident79.2Confident52 Ų5290.5 Ų90.543%0.4352%0.518SS..PPolyproline II helixtrans-58.7120.6179.800000110.2F9 T13F9-A11 PolarHBondContact O-N 3.34Å; A11-T13 PolarHBondContact O-N 3.28Å
12P83.6Confident80.6Confident39 Ų3987 Ų8725%0.25350%0.503SS..PPolyproline II helixtrans-70.6126.9-174.226.6-33.1000110I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.27Å; P12-A19 HydrophobicContact CB-CB 4.21Å; P12-A19 HydrophobicContact CG-CB 4.31Å; P12-A19 WeakPolarHBondContact O-CB 3.11Å; P12-A19 PolarHBondContact O-N 3.37Å; P12-I23 HydrophobicContact CG-CD1 3.67Å; P12-F92 HydrophobicContact CG-CB 4.39Å; P12-F92 HydrophobicContact CG-CD1 4.13Å; P12-F92 HydrophobicContact CG-CG 4.09Å
13T86.8Confident82.2Confident98 Ų9882.8 Ų82.860%0.60148%0.48SS*.EExtended strand (participates in β ladder)trans-118125.7170.853.90000108.7A11 L17A11-T13 PolarHBondContact O-N 3.28Å; T13-L17 CarbonylContact C-O 3.58Å; T13-L17 VanDerWaalsContact CA-O 3.28Å; T13-L17 WeakPolarHBondContact CA-O 3.39Å
14I86.8Confident83.5Confident113 Ų11377.5 Ų77.558%0.57946%0.456SS*.EExtended strand (participates in β ladder)trans-112.8122.2176.7-63172.5000106.6G16 L17 A19I14-G16 PolarHBondContact O-N 2.87Å; I14-G16 VanDerWaalsContact O-N 3.14Å; I14-L17 PolarHBondContact N-O 3.31Å; I14-L17 PolarHBondContact O-N 3.01Å; I14-A19 HydrophobicContact CD1-CB 3.88Å; I14-A19 HydrophobicContact CG1-CB 3.97Å
15L84.8Confident84.1Confident173 Ų17377.5 Ų77.591%0.90646%0.456SS*.THydrogen-bonded Turntrans52.333.1-177.4-89.8109000114L17L15-L17 PolarHBondContact O-N 3.46Å
16G83.4Confident84.7Confident71 Ų7179.9 Ų79.973%0.73246%0.464SS*.THydrogen-bonded Turntrans78.2-1.3-17800000115.1I14I14-G16 PolarHBondContact O-N 2.87Å; I14-G16 VanDerWaalsContact O-N 3.14Å
17L84.1Confident85Confident127 Ų12774.5 Ų74.567%0.66544%0.441SS*.EExtended strand (participates in β ladder)trans-91.6139.1170.9-66.9169.3000110.7T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.58Å; T13-L17 VanDerWaalsContact CA-O 3.28Å; T13-L17 WeakPolarHBondContact CA-O 3.39Å; I14-L17 PolarHBondContact N-O 3.31Å; I14-L17 PolarHBondContact O-N 3.01Å; L15-L17 PolarHBondContact O-N 3.46Å; L17-A19 PolarHBondContact O-N 3Å
18P84.9Confident85.3Confident79 Ų7975.1 Ų75.151%0.51344%0.441SS..EExtended strand (participates in β ladder)trans-71102.2177.428.9-33.2000110.5A20 V21P18-A20 PolarHBondContact O-N 3.38Å; P18-V21 HydrophobicContact CG-CG2 4.26Å; P18-V21 PolarHBondContact O-N 2.93Å
19A85.6Confident85.7Confident19 Ų1978.7 Ų78.716%0.15745%0.454CS..THydrogen-bonded Turntrans-68-17176.700000112.3P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.21Å; P12-A19 HydrophobicContact CG-CB 4.31Å; P12-A19 WeakPolarHBondContact O-CB 3.11Å; P12-A19 PolarHBondContact O-N 3.37Å; I14-A19 HydrophobicContact CD1-CB 3.88Å; I14-A19 HydrophobicContact CG1-CB 3.97Å; L17-A19 PolarHBondContact O-N 3Å; A19-V21 PolarHBondContact O-N 2.96Å; A19-L22 WeakPolarHBondContact O-CB 3.5Å; A19-L22 PolarHBondContact O-N 3.5Å; A19-L22 VanDerWaalsContact O-N 3.08Å; A19-I23 PolarHBondContact O-N 3.18Å
20A85.5Confident85.9Confident19 Ų1981.1 Ų81.116%0.15747%0.468CS..Hα-helixtrans-53.3-33.7173.800000113.3P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 3.38Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 3.32Å; A20-I23 PolarHBondContact O-N 2.92Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.4Å; A20-I24 PolarHBondContact O-N 3.42Å; A20-F92 HydrophobicContact CB-CE1 4.36Å
21V85.1Confident86.1Confident82 Ų8278.2 Ų78.250%0.49745%0.453SS..Hα-helixtrans-63.8-41.7178.6179.90000111.2P18 A19 I23 I24 L25P18-V21 HydrophobicContact CG-CG2 4.26Å; P18-V21 PolarHBondContact O-N 2.93Å; A19-V21 PolarHBondContact O-N 2.96Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.07Å; V21-I24 PolarHBondContact O-N 3.04Å; V21-L25 HydrophobicContact CG1-CD1 4.14Å; V21-L25 WeakPolarHBondContact O-CG 3.12Å; V21-L25 PolarHBondContact O-N 2.96Å; V21-L25 VanDerWaalsContact O-N 3.07Å
22L86.1Confident86.3Confident127 Ų12778.6 Ų78.667%0.66545%0.451SS*.Hα-helixtrans-65.9-38.9178.8-166.5149.2000110.9A19 A20 L25 F26A19-L22 WeakPolarHBondContact O-CB 3.5Å; A19-L22 PolarHBondContact O-N 3.5Å; A19-L22 VanDerWaalsContact O-N 3.08Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 3.32Å; L22-L25 PolarHBondContact O-N 3.42Å; L22-F26 PolarHBondContact O-N 3.26Å
23I87.6Confident86.4Confident52 Ų5283.2 Ų83.227%0.26748%0.479SS..Hα-helixtrans-65.7-41.5177-59.2171.8000110.9P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.67Å; A19-I23 PolarHBondContact O-N 3.18Å; A20-I23 PolarHBondContact O-N 2.92Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.07Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.32Å; I23-F26 WeakPolarHBondContact O-CB 3.31Å; I23-F26 PolarHBondContact O-N 3.15Å; I23-P27 VanDerWaalsContact O-CD 3.28Å; I23-P27 WeakPolarHBondContact O-CD 3.43Å; I23-F92 HydrophobicContact CD1-CB 4Å; I23-F92 HydrophobicContact CD1-CD1 3.88Å; I23-F92 HydrophobicContact CD1-CG 4.33Å; I23-F92 HydrophobicContact CG2-CD1 4.48Å; I23-F92 WeakPolarHBondContact CG2-O 3.21Å
24I88Confident86.4Confident50 Ų5080.4 Ų80.426%0.25646%0.463SS..Hα-helixtrans-65.4-32.1176.8-68.7163.9000111.9A20 V21 F26 P27 F78 P94 M100A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.4Å; A20-I24 PolarHBondContact O-N 3.42Å; V21-I24 PolarHBondContact O-N 3.04Å; I24-F26 VanDerWaalsContact C-N 3.33Å; I24-P27 WeakPolarHBondContact O-CD 3.2Å; I24-F78 HydrophobicContact CG2-CZ 4.32Å; I24-P94 HydrophobicContact CD1-CB 4.25Å; I24-P94 HydrophobicContact CG1-CB 3.7Å; I24-P94 HydrophobicContact CG1-CG 4.04Å; I24-M100 HydrophobicContact CD1-SD 4.42Å; I24-M100 HydrophobicContact CG2-CE 4.26Å
25L87.2Confident86.3Confident117 Ų11785.3 Ų85.361%0.61348%0.48SS*.Hα-helixtrans-80.8-11178.1-72.2171.7000114V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.14Å; V21-L25 WeakPolarHBondContact O-CG 3.12Å; V21-L25 PolarHBondContact O-N 2.96Å; V21-L25 VanDerWaalsContact O-N 3.07Å; L22-L25 PolarHBondContact O-N 3.42Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.32Å; L25-P28 WeakPolarHBondContact O-CD 3.34Å
26F88.5Confident86.4Confident93 Ų9385.7 Ų85.741%0.40847%0.471SS..Hα-helixtrans-70.9-43.3-176.7-169.5-95000114.8L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 3.26Å; I23-F26 WeakPolarHBondContact O-CB 3.31Å; I23-F26 PolarHBondContact O-N 3.15Å; I24-F26 VanDerWaalsContact C-N 3.33Å; F26-L29 VanDerWaalsContact O-CB 3.31Å; F26-L29 WeakPolarHBondContact O-CB 3.25Å; F26-L29 PolarHBondContact O-N 3.26Å; F26-L30 HydrophobicContact CD1-CD1 4.36Å; F26-L30 HydrophobicContact CE1-CD1 4.12Å; F26-L30 HydrophobicContact CE1-CD2 4.16Å; F26-L30 HydrophobicContact CE1-CG 4.22Å; F26-L30 HydrophobicContact CZ-CD2 4.47Å; F26-L85 HydrophobicContact CD1-CD2 3.3Å; F26-L85 HydrophobicContact CE1-CD2 3.54Å
27P88.6Confident86.2Confident3 Ų390.9 Ų90.92%0.01948%0.481CS..Hα-helixtrans-57.1-42.5179.8-1419.1000115.2I23 I24 L29 L30 T81 T82I23-P27 VanDerWaalsContact O-CD 3.28Å; I23-P27 WeakPolarHBondContact O-CD 3.43Å; I24-P27 WeakPolarHBondContact O-CD 3.2Å; P27-L29 PolarHBondContact O-N 3.03Å; P27-L30 WeakPolarHBondContact O-CB 3.41Å; P27-L30 PolarHBondContact O-N 2.94Å; P27-T81 WeakPolarHBondContact CB-OG1 3.33Å; P27-T82 HydrophobicContact CB-CG2 4.29Å; P27-T82 HydrophobicContact CG-CG2 3.53Å
28P84.9Confident86.2Confident68 Ų6892.3 Ų92.344%0.44249%0.488SS..Hα-helixtrans-55.5-33.5173.6-27.533.5000114.2L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.34Å; P28-L30 PolarHBondContact O-N 3.09Å; P28-I31 PolarHBondContact O-N 3.44Å
29L88.1Confident86.4Confident132 Ų13289.6 Ų89.669%0.69147%0.469SS*.Hα-helixtrans-67.2-25.3179.4-172.964.9000112.5F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.31Å; F26-L29 WeakPolarHBondContact O-CB 3.25Å; F26-L29 PolarHBondContact O-N 3.26Å; P27-L29 PolarHBondContact O-N 3.03Å; L29-I31 PolarHBondContact O-N 3.37Å
30L87.4Confident86.6Confident75 Ų7594.1 Ų94.139%0.39349%0.49SS..THydrogen-bonded Turntrans-74.9-5.8178.2-63.5173.4000113.6F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CD1-CD1 4.36Å; F26-L30 HydrophobicContact CE1-CD1 4.12Å; F26-L30 HydrophobicContact CE1-CD2 4.16Å; F26-L30 HydrophobicContact CE1-CG 4.22Å; F26-L30 HydrophobicContact CZ-CD2 4.47Å; P27-L30 WeakPolarHBondContact O-CB 3.41Å; P27-L30 PolarHBondContact O-N 2.94Å; P28-L30 PolarHBondContact O-N 3.09Å; L30-P32 WeakPolarHBondContact O-CD 3.2Å; L30-Q46 PolarHBondContact O-NE2 2.93Å; L30-Q46 VanDerWaalsContact O-NE2 3.16Å; L30-L85 HydrophobicContact CD1-CD1 3.37Å; L30-L85 HydrophobicContact CD1-CD2 3.93Å; L30-L85 HydrophobicContact CD1-CG 4.19Å
31I88.1Confident86.8Confident54 Ų54103.3 Ų103.328%0.27752%0.521SS..SBendtrans-11080-177.7-50.3175.9000108.6P28 L29 T33 I77P28-I31 PolarHBondContact O-N 3.44Å; L29-I31 PolarHBondContact O-N 3.37Å; I31-T33 PolarHBondContact O-N 2.94Å; I31-I77 HydrophobicContact CD1-CG2 3.3Å
32P86.6Confident87Confident59 Ų59103.5 Ų103.538%0.38352%0.519SS..  trans-67.9133.4179.227.3-33.8000110.8L30 L42 I43L30-P32 WeakPolarHBondContact O-CD 3.2Å; P32-L42 HydrophobicContact CG-CD2 3.72Å; P32-I43 HydrophobicContact CB-CD1 4.44Å; P32-I43 HydrophobicContact CB-CG1 4.47Å; P32-I43 HydrophobicContact CG-CD1 4.4Å; P32-I43 HydrophobicContact CG-CG1 3.95Å
33T86.9Confident87.3Confident137 Ų13798.3 Ų98.384%0.8449%0.491SS*.  trans-97.7133.1169.859.80000109.9I31I31-T33 PolarHBondContact O-N 2.94Å
34S86.7Confident87.5Confident38 Ų3898.8 Ų98.827%0.26650%0.497SS..  trans-116.1144.6171.21690000110.9Y36 N39S34-Y36 WeakPolarHBondContact OG-CD2 3.34Å; S34-Y36 PolarHBondContact OG-N 3.28Å; S34-Y36 VanDerWaalsContact OG-N 3.15Å; S34-N39 WeakPolarHBondContact CB-OD1 3.34Å; S34-N39 PolarHBondContact OG-OD1 2.95Å
35K85Confident87.6Confident216 Ų216100.5 Ų100.594%0.93951%0.51SS*.  trans-85.3-13.2176.2-63.1-179.4-179177.80112.9
36Y86.1Confident87.8Confident182 Ų18297.1 Ų97.171%0.71449%0.491SS*.SBendtrans-79.7151.2-175.9-60.9-73.8000112.1S34 N39S34-Y36 WeakPolarHBondContact OG-CD2 3.34Å; S34-Y36 PolarHBondContact OG-N 3.28Å; S34-Y36 VanDerWaalsContact OG-N 3.15Å; Y36-N39 PolarHBondContact O-ND2 2.83Å; Y36-N39 PolarHBondContact O-OD1 3.28Å
37L78.3Confident87.9Confident179 Ų17997.4 Ų97.494%0.93749%0.493SS*.SBendtrans-70.5-39.5177.3-169.575.8000111.6
38I85.6Confident88.1Confident157 Ų157105.3 Ų105.381%0.80552%0.523SS*.SBendtrans-101.6112.7174.1-60167000107.1
39N89.3Confident88.4Confident22 Ų22106.6 Ų106.612%0.11853%0.525CS..  trans-106.6167.9-175-78.7-17.8000112.8S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.34Å; S34-N39 PolarHBondContact OG-OD1 2.95Å; Y36-N39 PolarHBondContact O-ND2 2.83Å; Y36-N39 PolarHBondContact O-OD1 3.28Å; N39-I43 HydrophobicContact CB-CB 3.92Å; N39-I43 HydrophobicContact CB-CD1 4.5Å; N39-I43 HydrophobicContact CB-CG2 3.79Å; N39-I43 VanDerWaalsContact ND2-CG2 3.34Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.31Å; N39-T44 HydrophobicContact CB-CG2 4.17Å; N39-Q47 PolarHBondContact ND2-NE2 3.44Å
40N89.9Confident88.6Confident114 Ų114103 Ų10361%0.6151%0.507SS*.  trans-62152.7172.3-165.10.8000111.1L42 I43 T44N40-L42 PolarHBondContact O-N 3.26Å; N40-L42 VanDerWaalsContact O-N 3.13Å; N40-I43 HydrophobicContact CB-CD1 4.44Å; N40-I43 PolarHBondContact O-N 3.37Å; N40-T44 PolarHBondContact O-N 3.19Å
41R89.6Confident88.7Confident213 Ų213106.7 Ų106.780%0.80452%0.52SS*.Hα-helixtrans-51.6-39.1-178.4-64.5-177.2-179.3-178.70.4112.7T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.46Å; R41-T44 PolarHBondContact O-N 3.14Å; R41-T44 PolarHBondContact O-OG1 3.45Å; R41-T45 WeakPolarHBondContact O-CG2 3.44Å; R41-T45 PolarHBondContact O-N 3.47Å; R41-T45 PolarHBondContact O-OG1 3.43Å
42L89.6Confident88.9Confident86 Ų86107.3 Ų107.345%0.4552%0.523SS..Hα-helixtrans-62.6-48.1177.9-171.8152.3000111P32 N40 T44 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.72Å; N40-L42 PolarHBondContact O-N 3.26Å; N40-L42 VanDerWaalsContact O-N 3.13Å; L42-T44 VanDerWaalsContact C-N 3.34Å; L42-T44 PolarHBondContact O-N 3.13Å; L42-T45 PolarHBondContact O-N 3.08Å; L42-T45 PolarHBondContact O-OG1 3.3Å; L42-Q46 HydrophobicContact CD2-CG 4.2Å; L42-Q46 VanDerWaalsContact CD2-NE2 3.33Å; L42-Q46 WeakPolarHBondContact O-CG 3.44Å; L42-Q46 PolarHBondContact O-N 3.01Å
43I91.4Very high89Confident17 Ų17105.7 Ų105.79%0.08751%0.512CS..Hα-helixtrans-67.1-36.6-179.9-60.6169.5000110.9P32 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.44Å; P32-I43 HydrophobicContact CB-CG1 4.47Å; P32-I43 HydrophobicContact CG-CD1 4.4Å; P32-I43 HydrophobicContact CG-CG1 3.95Å; N39-I43 HydrophobicContact CB-CB 3.92Å; N39-I43 HydrophobicContact CB-CD1 4.5Å; N39-I43 HydrophobicContact CB-CG2 3.79Å; N39-I43 VanDerWaalsContact ND2-CG2 3.34Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.31Å; N40-I43 HydrophobicContact CB-CD1 4.44Å; N40-I43 PolarHBondContact O-N 3.37Å; I43-Q46 PolarHBondContact O-N 2.9Å; I43-Q47 HydrophobicContact CG2-CG 4.24Å; I43-Q47 WeakPolarHBondContact O-CB 3.29Å; I43-Q47 VanDerWaalsContact O-CG 3.26Å; I43-Q47 WeakPolarHBondContact O-CG 3.42Å; I43-Q47 PolarHBondContact O-N 3.49Å
44T91.4Very high89.1Confident62 Ų62100.5 Ų100.538%0.3848%0.481SS..Hα-helixtrans-66.9-41.2177.460.10000111.9N39 N40 R41 L42 Q47 W48N39-T44 HydrophobicContact CB-CG2 4.17Å; N40-T44 PolarHBondContact O-N 3.19Å; R41-T44 WeakPolarHBondContact CA-OG1 3.46Å; R41-T44 PolarHBondContact O-N 3.14Å; R41-T44 PolarHBondContact O-OG1 3.45Å; L42-T44 VanDerWaalsContact C-N 3.34Å; L42-T44 PolarHBondContact O-N 3.13Å; T44-Q47 PolarHBondContact O-N 2.86Å; T44-W48 WeakPolarHBondContact O-CB 3.4Å; T44-W48 PolarHBondContact O-N 3.36Å
45T91.3Very high89.2Confident86 Ų86105.8 Ų105.853%0.52850%0.5SS..Hα-helixtrans-65-40.3174.260.40000112.2R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.44Å; R41-T45 PolarHBondContact O-N 3.47Å; R41-T45 PolarHBondContact O-OG1 3.43Å; L42-T45 PolarHBondContact O-N 3.08Å; L42-T45 PolarHBondContact O-OG1 3.3Å; T45-W48 PolarHBondContact O-N 3.06Å; T45-L49 WeakPolarHBondContact O-CB 3.41Å; T45-L49 PolarHBondContact O-N 3.13Å
46Q90.9Very high89.3Confident47 Ų47101.5 Ų101.522%0.2248%0.483CS..Hα-helixtrans-61.6-50174.3-73.9178.2-22.400111.7L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 2.93Å; L30-Q46 VanDerWaalsContact O-NE2 3.16Å; L42-Q46 HydrophobicContact CD2-CG 4.2Å; L42-Q46 VanDerWaalsContact CD2-NE2 3.33Å; L42-Q46 WeakPolarHBondContact O-CG 3.44Å; L42-Q46 PolarHBondContact O-N 3.01Å; I43-Q46 PolarHBondContact O-N 2.9Å; Q46-W48 VanDerWaalsContact C-N 3.28Å; Q46-W48 PolarHBondContact O-N 3.32Å; Q46-L49 PolarHBondContact O-N 3.42Å; Q46-I50 VanDerWaalsContact O-CG1 3.24Å; Q46-I50 WeakPolarHBondContact O-CG1 3.2Å; Q46-I50 PolarHBondContact O-N 3.33Å
47Q90.6Very high89.2Confident98 Ų9893.4 Ų93.446%0.45845%0.452SS..Hα-helixtrans-60.5-38.7177.6-74176.5-13.200112.1N39 I43 T44 K51N39-Q47 PolarHBondContact ND2-NE2 3.44Å; I43-Q47 HydrophobicContact CG2-CG 4.24Å; I43-Q47 WeakPolarHBondContact O-CB 3.29Å; I43-Q47 VanDerWaalsContact O-CG 3.26Å; I43-Q47 WeakPolarHBondContact O-CG 3.42Å; I43-Q47 PolarHBondContact O-N 3.49Å; T44-Q47 PolarHBondContact O-N 2.86Å; Q47-K51 VanDerWaalsContact O-CB 3.32Å; Q47-K51 WeakPolarHBondContact O-CB 3.26Å; Q47-K51 PolarHBondContact O-N 2.99Å
48W92.4Very high89.5Confident170 Ų17085.8 Ų85.864%0.64441%0.412SS*.Hα-helixtrans-63.2-45.3175.4-179.582.2000111.9T44 T45 Q46 K51 L52T44-W48 WeakPolarHBondContact O-CB 3.4Å; T44-W48 PolarHBondContact O-N 3.36Å; T45-W48 PolarHBondContact O-N 3.06Å; Q46-W48 VanDerWaalsContact C-N 3.28Å; Q46-W48 PolarHBondContact O-N 3.32Å; W48-K51 PolarHBondContact O-N 2.85Å; W48-L52 HydrophobicContact CD2-CD1 3.73Å; W48-L52 HydrophobicContact CD2-CG 4.4Å; W48-L52 VanDerWaalsContact CE2-CD1 3.48Å; W48-L52 HydrophobicContact CE3-CD1 3.79Å; W48-L52 HydrophobicContact CH2-CD1 3.43Å; W48-L52 VanDerWaalsContact CH2-CD1 3.43Å; W48-L52 HydrophobicContact CZ2-CD1 3.36Å; W48-L52 HydrophobicContact CZ2-CG 4.44Å; W48-L52 HydrophobicContact CZ3-CD1 3.64Å; W48-L52 WeakPolarHBondContact O-CG 3.18Å; W48-L52 PolarHBondContact O-N 3.23Å
49L91.1Very high89.4Confident94 Ų9482.9 Ų82.949%0.49240%0.401SS..Hα-helixtrans-64.4-42177.8-167.5144.7000112.1T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.41Å; T45-L49 PolarHBondContact O-N 3.13Å; Q46-L49 PolarHBondContact O-N 3.42Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 2.87Å; L49-L52 PolarHBondContact O-N 3.03Å; L49-T53 HydrophobicContact CD2-CG2 4.2Å; L49-T53 WeakPolarHBondContact O-CG2 3.48Å; L49-T53 PolarHBondContact O-N 3.5Å; L49-T53 PolarHBondContact O-OG1 3.23Å
50I91.6Very high88.8Confident58 Ų5888.3 Ų88.330%0.29743%0.427SS..Hα-helixtrans-62.4-41.5174.9-66.2170.5000111Q46 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.24Å; Q46-I50 WeakPolarHBondContact O-CG1 3.2Å; Q46-I50 PolarHBondContact O-N 3.33Å; I50-T53 WeakPolarHBondContact CA-OG1 3.27Å; I50-T53 PolarHBondContact O-OG1 3.44Å; I50-T53 VanDerWaalsContact O-OG1 3.05Å; I50-S54 VanDerWaalsContact O-CB 3.3Å; I50-S54 WeakPolarHBondContact O-CB 3.47Å; I50-S54 PolarHBondContact O-N 3.11Å; I50-S54 PolarHBondContact O-OG 2.77Å; I50-V73 HydrophobicContact CG2-CG1 3.86Å; I50-I77 HydrophobicContact CD1-CD1 4.01Å; I50-I77 HydrophobicContact CG1-CD1 3.68Å
51K91.3Very high88.4Confident152 Ų15283.2 Ų83.266%0.66140%0.4SS*.Hα-helixtrans-66.4-38.9178.5-173.1176.8-178.7178.50112.1Q47 W48 L49 S54 K55Q47-K51 VanDerWaalsContact O-CB 3.32Å; Q47-K51 WeakPolarHBondContact O-CB 3.26Å; Q47-K51 PolarHBondContact O-N 2.99Å; W48-K51 PolarHBondContact O-N 2.85Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 2.87Å; K51-S54 WeakPolarHBondContact CA-OG 3.34Å; K51-S54 PolarHBondContact O-OG 3.02Å; K51-S54 VanDerWaalsContact O-OG 3.09Å; K51-K55 VanDerWaalsContact O-CB 3.24Å; K51-K55 WeakPolarHBondContact O-CB 2.99Å; K51-K55 PolarHBondContact O-N 3.07Å; K51-K55 VanDerWaalsContact O-N 3.08Å
52L91.6Very high88Confident67 Ų6778.8 Ų78.835%0.35139%0.392SS..Hα-helixtrans-67.6-50.4177.5-75.3177.5000112.1W48 L49 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.73Å; W48-L52 HydrophobicContact CD2-CG 4.4Å; W48-L52 VanDerWaalsContact CE2-CD1 3.48Å; W48-L52 HydrophobicContact CE3-CD1 3.79Å; W48-L52 HydrophobicContact CH2-CD1 3.43Å; W48-L52 VanDerWaalsContact CH2-CD1 3.43Å; W48-L52 HydrophobicContact CZ2-CD1 3.36Å; W48-L52 HydrophobicContact CZ2-CG 4.44Å; W48-L52 HydrophobicContact CZ3-CD1 3.64Å; W48-L52 WeakPolarHBondContact O-CG 3.18Å; W48-L52 PolarHBondContact O-N 3.23Å; L49-L52 PolarHBondContact O-N 3.03Å; L52-K55 PolarHBondContact O-N 2.87Å; L52-Q56 WeakPolarHBondContact O-CG 3.32Å; L52-Q56 PolarHBondContact O-N 3.12Å
53T88.4Confident87.5Confident24 Ų2479.8 Ų79.815%0.14740%0.402CS..Hα-helixtrans-61.2-46.9-179.649.10000111.6L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 4.2Å; L49-T53 WeakPolarHBondContact O-CG2 3.48Å; L49-T53 PolarHBondContact O-N 3.5Å; L49-T53 PolarHBondContact O-OG1 3.23Å; I50-T53 WeakPolarHBondContact CA-OG1 3.27Å; I50-T53 PolarHBondContact O-OG1 3.44Å; I50-T53 VanDerWaalsContact O-OG1 3.05Å; T53-K55 PolarHBondContact O-N 3.35Å; T53-Q56 PolarHBondContact O-N 3.32Å; T53-M57 WeakPolarHBondContact O-CG 3.44Å; T53-M57 PolarHBondContact O-N 3.46Å
54S89.2Confident86.9Confident29 Ų2985 Ų8520%0.20342%0.424CS..Hα-helixtrans-61.4-42.6175.757.90000112.4I50 K51 Q56 M57 M58I50-S54 VanDerWaalsContact O-CB 3.3Å; I50-S54 WeakPolarHBondContact O-CB 3.47Å; I50-S54 PolarHBondContact O-N 3.11Å; I50-S54 PolarHBondContact O-OG 2.77Å; K51-S54 WeakPolarHBondContact CA-OG 3.34Å; K51-S54 PolarHBondContact O-OG 3.02Å; K51-S54 VanDerWaalsContact O-OG 3.09Å; S54-Q56 PolarHBondContact O-N 3.14Å; S54-M57 PolarHBondContact O-N 3.18Å; S54-M58 WeakPolarHBondContact O-CB 3.32Å; S54-M58 WeakPolarHBondContact O-CG 3.46Å; S54-M58 PolarHBondContact O-N 2.92Å
55K89.1Confident86.2Confident149 Ų14982.1 Ų82.165%0.64841%0.406SS*.Hα-helixtrans-61.4-44.7177.2-174.8179.2177.5-175.50111.6K51 L52 T53 T59K51-K55 VanDerWaalsContact O-CB 3.24Å; K51-K55 WeakPolarHBondContact O-CB 2.99Å; K51-K55 PolarHBondContact O-N 3.07Å; K51-K55 VanDerWaalsContact O-N 3.08Å; L52-K55 PolarHBondContact O-N 2.87Å; T53-K55 PolarHBondContact O-N 3.35Å; K55-T59 WeakPolarHBondContact O-CG2 3.3Å; K55-T59 PolarHBondContact O-N 2.74Å
56Q86.6Confident85.8Confident125 Ų12584.7 Ų84.758%0.58441%0.406SS*.Hα-helixtrans-69.1-38.5-178.9-73.9179.2-21.700113L52 T53 S54 T59L52-Q56 WeakPolarHBondContact O-CG 3.32Å; L52-Q56 PolarHBondContact O-N 3.12Å; T53-Q56 PolarHBondContact O-N 3.32Å; S54-Q56 PolarHBondContact O-N 3.14Å; Q56-T59 PolarHBondContact O-OG1 3.12Å
57M84.1Confident85.6Confident13 Ų1387.2 Ų87.26%0.06443%0.425CS..Hα-helixtrans-73.6-36.7178.3-70.3-175.8166.300112.3T53 S54 T59 H61 L72 I76 T215T53-M57 WeakPolarHBondContact O-CG 3.44Å; T53-M57 PolarHBondContact O-N 3.46Å; S54-M57 PolarHBondContact O-N 3.18Å; M57-T59 PolarHBondContact O-N 2.79Å; M57-H61 PolarHBondContact O-ND1 3.28Å; M57-L72 HydrophobicContact SD-CB 4.35Å; M57-I76 HydrophobicContact CE-CB 4.46Å; M57-I76 HydrophobicContact CE-CD1 3.66Å; M57-T215 WeakPolarHBondContact CE-OG1 3.42Å
58M84.4Confident85.4Confident19 Ų1984.6 Ų84.69%0.09441%0.411CS..Hα-helixtrans-82-10.5-173.9-66.2-56111.300114.5S54 M60 H61 R66 S69 L72S54-M58 WeakPolarHBondContact O-CB 3.32Å; S54-M58 WeakPolarHBondContact O-CG 3.46Å; S54-M58 PolarHBondContact O-N 2.92Å; M58-M60 PolarHBondContact O-N 3.29Å; M58-H61 PolarHBondContact O-N 3.23Å; M58-R66 HydrophobicContact SD-CB 4.37Å; M58-R66 HydrophobicContact SD-CG 4.03Å; M58-S69 VanDerWaalsContact SD-CB 3.51Å; M58-L72 HydrophobicContact CE-CD1 3.83Å
59T84.1Confident85.2Confident96 Ų9677.9 Ų77.959%0.58939%0.39SS*.THydrogen-bonded Turntrans-64.1-31.9173.452.20000112K55 Q56 M57 H61K55-T59 WeakPolarHBondContact O-CG2 3.3Å; K55-T59 PolarHBondContact O-N 2.74Å; Q56-T59 PolarHBondContact O-OG1 3.12Å; M57-T59 PolarHBondContact O-N 2.79Å; T59-H61 VanDerWaalsContact C-N 3.33Å
60M77Confident85.2Confident135 Ų13580.2 Ų80.267%0.66540%0.403SS*.THydrogen-bonded Turntrans-81.2-12.4-178.1-54.3-113.892.600113M58 H223M58-M60 PolarHBondContact O-N 3.29Å; M60-H223 PolarHBondContact O-CE1 3.44Å; M60-H223 PolarHBondContact O-ND1 3.32Å
61H81.7Confident85.1Confident8 Ų880.7 Ų80.74%0.03740%0.404CS..  trans-109.1140.5-167.5-71.179.9000113.9M57 M58 T59 R66 S219M57-H61 PolarHBondContact O-ND1 3.28Å; M58-H61 PolarHBondContact O-N 3.23Å; T59-H61 VanDerWaalsContact C-N 3.33Å; H61-R66 HydrophobicContact CB-CG 4.4Å; H61-R66 PolarHBondContact O-NE 2.96Å; H61-S219 PolarHBondContact NE2-O 3.12Å
62N79.4Confident85.1Confident119 Ų11973.6 Ų73.664%0.63637%0.373SS*.  trans-75.1171.6171.7-125.3-13.3000111.8K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.28Å; N62-K64 PolarHBondContact O-N 3.14Å; N62-K64 VanDerWaalsContact O-N 3.16Å; N62-G65 PolarHBondContact O-N 2.95Å; N62-R66 PolarHBondContact O-N 3.04Å
63T79.9Confident85.1Confident108 Ų10871.1 Ų71.166%0.66336%0.361SS*.THydrogen-bonded Turntrans-54.4-37.9-173.754.40000114.3
64K78.1Confident85.2Confident127 Ų12773.1 Ų73.155%0.55238%0.376SS*.THydrogen-bonded Turntrans-67.3-44.5174.9-69.6-177.7-179.7176.60112.3N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.28Å; N62-K64 PolarHBondContact O-N 3.14Å; N62-K64 VanDerWaalsContact O-N 3.16Å; K64-R66 VanDerWaalsContact C-N 3.27Å; K64-R66 PolarHBondContact O-N 2.91Å; K64-T67 WeakPolarHBondContact O-CB 3.45Å; K64-T67 PolarHBondContact O-N 3.32Å; K64-T67 PolarHBondContact O-OG1 3.24Å
65G78.1Confident85.3Confident0 Ų072.6 Ų72.60%037%0.371CS..G310 helixtrans-64.1-30.9177.600000113N62 T67 W68N62-G65 PolarHBondContact O-N 2.95Å; G65-T67 PolarHBondContact O-N 3.38Å; G65-T67 VanDerWaalsContact O-N 3.17Å; G65-W68 PolarHBondContact O-N 2.78Å; G65-W68 VanDerWaalsContact O-N 3.08Å
66R83.1Confident85.4Confident140 Ų14066.3 Ų66.353%0.52834%0.344SS..G310 helixtrans-63-20.8175.9-70.8-179-176.4-176.40.3114.1M58 H61 N62 K64 W68 S69M58-R66 HydrophobicContact SD-CB 4.37Å; M58-R66 HydrophobicContact SD-CG 4.03Å; H61-R66 HydrophobicContact CB-CG 4.4Å; H61-R66 PolarHBondContact O-NE 2.96Å; N62-R66 PolarHBondContact O-N 3.04Å; K64-R66 VanDerWaalsContact C-N 3.27Å; K64-R66 PolarHBondContact O-N 2.91Å; R66-W68 PolarHBondContact O-N 3.4Å; R66-S69 WeakPolarHBondContact O-CB 3.33Å; R66-S69 PolarHBondContact O-N 3.37Å; R66-S69 VanDerWaalsContact O-N 3.11Å
67T85.8Confident85.7Confident101 Ų10162 Ų6262%0.6233%0.325SS*.G310 helixtrans-63.8-25.7174.662.50000112.5K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.45Å; K64-T67 PolarHBondContact O-N 3.32Å; K64-T67 PolarHBondContact O-OG1 3.24Å; G65-T67 PolarHBondContact O-N 3.38Å; G65-T67 VanDerWaalsContact O-N 3.17Å; T67-S69 VanDerWaalsContact C-N 3.3Å; T67-S69 PolarHBondContact O-N 3.18Å
68W86.8Confident86Confident42 Ų4263.7 Ų63.716%0.15933%0.332CS..G310 helixtrans-85.70.8177.1-75.552.5000113.7G65 R66 L70 M71 L72 T112 M115 L222G65-W68 PolarHBondContact O-N 2.78Å; G65-W68 VanDerWaalsContact O-N 3.08Å; R66-W68 PolarHBondContact O-N 3.4Å; W68-L70 VanDerWaalsContact C-N 3.28Å; W68-L70 PolarHBondContact O-N 3.07Å; W68-M71 HydrophobicContact CD2-CE 3.67Å; W68-M71 HydrophobicContact CE3-CE 2.96Å; W68-M71 HydrophobicContact CH2-CE 3.63Å; W68-M71 HydrophobicContact CZ2-CE 4.27Å; W68-M71 HydrophobicContact CZ3-CE 2.95Å; W68-M71 PolarHBondContact O-N 3.39Å; W68-L72 PolarHBondContact O-N 3.34Å; W68-T112 HydrophobicContact CE3-CG2 4.42Å; W68-T112 HydrophobicContact CH2-CG2 4.27Å; W68-T112 HydrophobicContact CZ3-CG2 3.78Å; W68-M115 HydrophobicContact CZ2-SD 3.9Å; W68-M115 PolarHBondContact NE1-SD 2.83Å; W68-L222 HydrophobicContact CB-CD2 3.58Å; W68-L222 HydrophobicContact CD2-CD1 3.6Å; W68-L222 HydrophobicContact CD2-CD2 4.27Å; W68-L222 HydrophobicContact CE3-CD1 3.76Å; W68-L222 HydrophobicContact CE3-CD2 4.46Å; W68-L222 HydrophobicContact CG-CD1 3.89Å; W68-L222 HydrophobicContact CG-CD2 3.86Å; W68-L222 HydrophobicContact CZ3-CD1 4.31Å
69S87.5Confident86.3Confident29 Ų2962.8 Ų62.820%0.20333%0.327CS..Hα-helixtrans-52.6-45.6-178.7-178.10000112.5M58 R66 T67 M71 L72 V73M58-S69 VanDerWaalsContact SD-CB 3.51Å; R66-S69 WeakPolarHBondContact O-CB 3.33Å; R66-S69 PolarHBondContact O-N 3.37Å; R66-S69 VanDerWaalsContact O-N 3.11Å; T67-S69 VanDerWaalsContact C-N 3.3Å; T67-S69 PolarHBondContact O-N 3.18Å; S69-M71 VanDerWaalsContact C-N 3.29Å; S69-M71 PolarHBondContact O-N 3.09Å; S69-L72 PolarHBondContact O-N 3.4Å; S69-V73 WeakPolarHBondContact O-CB 3.2Å; S69-V73 WeakPolarHBondContact O-CG2 3.38Å; S69-V73 PolarHBondContact O-N 3.08Å
70L90.7Very high86.6Confident144 Ų14459.7 Ų59.775%0.75431%0.312SS*.Hα-helixtrans-59.5-41.5179.6-172.777.5000111.7W68 S74W68-L70 VanDerWaalsContact C-N 3.28Å; W68-L70 PolarHBondContact O-N 3.07Å; L70-S74 WeakPolarHBondContact O-CB 3.38Å; L70-S74 PolarHBondContact O-N 2.64Å; L70-S74 PolarHBondContact O-OG 3.2Å
71M90.9Very high87.3Confident68 Ų6854.7 Ų54.734%0.33529%0.289SS..Hα-helixtrans-69.6-44.7-179.4-172.5159.365.700111.5W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 3.67Å; W68-M71 HydrophobicContact CE3-CE 2.96Å; W68-M71 HydrophobicContact CH2-CE 3.63Å; W68-M71 HydrophobicContact CZ2-CE 4.27Å; W68-M71 HydrophobicContact CZ3-CE 2.95Å; W68-M71 PolarHBondContact O-N 3.39Å; S69-M71 VanDerWaalsContact C-N 3.29Å; S69-M71 PolarHBondContact O-N 3.09Å; M71-V73 VanDerWaalsContact C-N 3.34Å; M71-V73 PolarHBondContact O-N 3.5Å; M71-S74 WeakPolarHBondContact CA-OG 3.45Å; M71-S74 PolarHBondContact O-N 3.17Å; M71-S74 PolarHBondContact O-OG 3.44Å; M71-L75 WeakPolarHBondContact O-CB 3.48Å; M71-L75 PolarHBondContact O-N 3.44Å; M71-L108 HydrophobicContact CE-CD2 3.7Å; M71-L108 HydrophobicContact CG-CD2 4Å; M71-L108 HydrophobicContact SD-CD2 3.57Å; M71-L108 VanDerWaalsContact SD-CD2 3.57Å
72L90.4Very high87.7Confident2 Ų254.5 Ų54.51%0.0129%0.288CS..Hα-helixtrans-63.2-41178.2-68.5170.7000112.1M57 M58 W68 S69 L75 I76 V218 L222M57-L72 HydrophobicContact SD-CB 4.35Å; M58-L72 HydrophobicContact CE-CD1 3.83Å; W68-L72 PolarHBondContact O-N 3.34Å; S69-L72 PolarHBondContact O-N 3.4Å; L72-L75 PolarHBondContact O-N 2.91Å; L72-I76 PolarHBondContact O-N 3.29Å; L72-V218 HydrophobicContact CD2-CB 4.24Å; L72-V218 HydrophobicContact CD2-CG1 3.88Å; L72-L222 HydrophobicContact CD1-CD2 4.47Å
73V91.5Very high88.3Confident16 Ų1648.9 Ų48.910%0.09726%0.258CS..Hα-helixtrans-69.8-43.8179172.60000111.5I50 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.86Å; S69-V73 WeakPolarHBondContact O-CB 3.2Å; S69-V73 WeakPolarHBondContact O-CG2 3.38Å; S69-V73 PolarHBondContact O-N 3.08Å; M71-V73 VanDerWaalsContact C-N 3.34Å; M71-V73 PolarHBondContact O-N 3.5Å; V73-L75 VanDerWaalsContact C-N 3.29Å; V73-L75 PolarHBondContact O-N 3.38Å; V73-I76 VanDerWaalsContact O-CG2 3.28Å; V73-I76 WeakPolarHBondContact O-CG2 3.34Å; V73-I77 HydrophobicContact CG1-CD1 3.75Å; V73-I77 VanDerWaalsContact O-CD1 3.24Å; V73-I77 WeakPolarHBondContact O-CD1 3.41Å; V73-I77 WeakPolarHBondContact O-CG1 3.28Å; V73-I77 PolarHBondContact O-N 3Å
74S91.4Very high88.7Confident66 Ų6648.1 Ų48.146%0.46225%0.25SC..Hα-helixtrans-63.4-38.4175.753.10000111.8L70 M71 F78L70-S74 WeakPolarHBondContact O-CB 3.38Å; L70-S74 PolarHBondContact O-N 2.64Å; L70-S74 PolarHBondContact O-OG 3.2Å; M71-S74 WeakPolarHBondContact CA-OG 3.45Å; M71-S74 PolarHBondContact O-N 3.17Å; M71-S74 PolarHBondContact O-OG 3.44Å; S74-F78 VanDerWaalsContact O-CB 3.29Å; S74-F78 WeakPolarHBondContact O-CB 3.43Å; S74-F78 PolarHBondContact O-N 3.2Å
75L90.8Very high89.3Confident18 Ų1843.8 Ų43.89%0.09423%0.232CC..Hα-helixtrans-64.4-48.7178.2-172.589.7000112.8M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 WeakPolarHBondContact O-CB 3.48Å; M71-L75 PolarHBondContact O-N 3.44Å; L72-L75 PolarHBondContact O-N 2.91Å; V73-L75 VanDerWaalsContact C-N 3.29Å; V73-L75 PolarHBondContact O-N 3.38Å; L75-I77 VanDerWaalsContact C-N 3.28Å; L75-I77 PolarHBondContact O-N 2.86Å; L75-F78 PolarHBondContact O-N 3.37Å; L75-I79 HydrophobicContact CD1-CD1 4.25Å; L75-I79 HydrophobicContact CD2-CD1 4.25Å; L75-I79 HydrophobicContact CG-CD1 3.85Å; L75-I79 WeakPolarHBondContact O-CG1 3.48Å; L75-I79 PolarHBondContact O-N 3.02Å; L75-L108 HydrophobicContact CD1-CD1 3.44Å; L75-L108 VanDerWaalsContact CD1-CD1 3.44Å; L75-L108 HydrophobicContact CD2-CD1 3.95Å; L75-L108 HydrophobicContact CG-CD1 4.35Å; L75-F214 HydrophobicContact CD1-CE1 4.35Å; L75-F214 HydrophobicContact CD2-CD1 3.69Å; L75-F214 HydrophobicContact CD2-CE1 3.59Å; L75-F214 HydrophobicContact CG-CE1 4.34Å; L75-T215 HydrophobicContact CB-CG2 4.3Å; L75-T215 HydrophobicContact CD2-CG2 3.48Å; L75-T215 VanDerWaalsContact CD2-CG2 3.48Å; L75-T215 HydrophobicContact CG-CG2 4.05Å
76I91.4Very high89.6Confident16 Ų1643.9 Ų43.98%0.08223%0.233CC..Hα-helixtrans-62.2-40.8-179.5-169.3169.9000110.9M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CB 4.46Å; M57-I76 HydrophobicContact CE-CD1 3.66Å; L72-I76 PolarHBondContact O-N 3.29Å; V73-I76 VanDerWaalsContact O-CG2 3.28Å; V73-I76 WeakPolarHBondContact O-CG2 3.34Å; I76-A80 WeakPolarHBondContact O-CB 3.43Å; I76-A80 PolarHBondContact O-N 3.24Å; I76-A211 HydrophobicContact CG1-CB 4.43Å; I76-Y212 HydrophobicContact CD1-CD2 4.19Å; I76-T215 VanDerWaalsContact CA-CG2 3.46Å; I76-T215 HydrophobicContact CB-CG2 3.46Å; I76-T215 VanDerWaalsContact CB-CG2 3.46Å; I76-T215 HydrophobicContact CG1-CG2 4.04Å
77I91.6Very high89.8Confident34 Ų3439.1 Ų39.117%0.17422%0.218CC..Hα-helixtrans-66.7-43.1178.7-64.8165.2000110.5I31 I50 V73 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.3Å; I50-I77 HydrophobicContact CD1-CD1 4.01Å; I50-I77 HydrophobicContact CG1-CD1 3.68Å; V73-I77 HydrophobicContact CG1-CD1 3.75Å; V73-I77 VanDerWaalsContact O-CD1 3.24Å; V73-I77 WeakPolarHBondContact O-CD1 3.41Å; V73-I77 WeakPolarHBondContact O-CG1 3.28Å; V73-I77 PolarHBondContact O-N 3Å; L75-I77 VanDerWaalsContact C-N 3.28Å; L75-I77 PolarHBondContact O-N 2.86Å; I77-T81 HydrophobicContact CG2-CG2 4.35Å; I77-T81 WeakPolarHBondContact O-CB 3.29Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.19Å; I77-T81 PolarHBondContact O-N 3.14Å; I77-T81 PolarHBondContact O-OG1 3.42Å
78F91.1Very high89.9Confident49 Ų4939 Ų3922%0.21521%0.213CC..Hα-helixtrans-60.7-53.6178.1-180-103.1000111.4I24 S74 L75 A80 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.32Å; S74-F78 VanDerWaalsContact O-CB 3.29Å; S74-F78 WeakPolarHBondContact O-CB 3.43Å; S74-F78 PolarHBondContact O-N 3.2Å; L75-F78 PolarHBondContact O-N 3.37Å; F78-A80 PolarHBondContact O-N 3.37Å; F78-T81 PolarHBondContact O-N 3.49Å; F78-T81 PolarHBondContact O-OG1 2.96Å; F78-T82 HydrophobicContact CD2-CG2 4.33Å; F78-T82 HydrophobicContact CE1-CG2 4.14Å; F78-T82 HydrophobicContact CE2-CG2 3.94Å; F78-T82 HydrophobicContact CZ-CG2 3.84Å; F78-T82 WeakPolarHBondContact O-CG2 3.28Å; F78-T82 PolarHBondContact O-N 2.99Å; F78-T82 PolarHBondContact O-OG1 3.36Å; F78-T82 VanDerWaalsContact O-OG1 3.08Å; F78-M100 HydrophobicContact CE1-CE 3.98Å; F78-M100 HydrophobicContact CZ-CE 3.94Å; F78-M104 HydrophobicContact CD1-SD 3.88Å; F78-M104 HydrophobicContact CE1-CE 4.14Å; F78-M104 HydrophobicContact CE1-SD 3.54Å; F78-M104 VanDerWaalsContact CE1-SD 3.54Å
79I90.9Very high89.6Confident0 Ų042.4 Ų42.40%024%0.241CC..Hα-helixtrans-64.6-42.3-177.8-60.2168.8000110.9L75 T81 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 4.25Å; L75-I79 HydrophobicContact CD2-CD1 4.25Å; L75-I79 HydrophobicContact CG-CD1 3.85Å; L75-I79 WeakPolarHBondContact O-CG1 3.48Å; L75-I79 PolarHBondContact O-N 3.02Å; I79-T81 PolarHBondContact O-N 3.05Å; I79-T82 WeakPolarHBondContact CA-OG1 3.47Å; I79-T82 PolarHBondContact O-OG1 2.9Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.37Å; I79-N83 WeakPolarHBondContact O-CB 3.38Å; I79-N83 PolarHBondContact O-N 3.07Å; I79-N83 PolarHBondContact O-ND2 3.16Å; I79-N83 PolarHBondContact O-OD1 2.92Å; I79-L160 HydrophobicContact CG2-CD1 4.08Å; I79-L160 HydrophobicContact CG2-CD2 4.15Å; I79-A211 HydrophobicContact CB-CB 4.04Å; I79-A211 HydrophobicContact CG2-CB 3.78Å; I79-F214 HydrophobicContact CD1-CB 4.34Å; I79-F214 HydrophobicContact CD1-CD1 3.52Å; I79-F214 HydrophobicContact CD1-CD2 4.32Å; I79-F214 HydrophobicContact CD1-CE1 3.83Å; I79-F214 HydrophobicContact CD1-CG 3.81Å; I79-F214 HydrophobicContact CD1-CZ 4.33Å
80A90.7Very high89.4Confident31 Ų3150.7 Ų50.726%0.25628%0.276SS..Hα-helixtrans-63-44179.100000111.8I76 F78 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.43Å; I76-A80 PolarHBondContact O-N 3.24Å; F78-A80 PolarHBondContact O-N 3.37Å; A80-L84 VanDerWaalsContact O-CB 3.28Å; A80-L84 WeakPolarHBondContact O-CB 3.29Å; A80-L84 PolarHBondContact O-N 3.22Å; A80-A211 HydrophobicContact CB-CB 3.91Å
81T91.1Very high89.1Confident30 Ų3045.5 Ų45.518%0.18425%0.252CS..Hα-helixtrans-69.3-42.4179.4530000112P27 I77 F78 I79 N83 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.33Å; I77-T81 HydrophobicContact CG2-CG2 4.35Å; I77-T81 WeakPolarHBondContact O-CB 3.29Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.19Å; I77-T81 PolarHBondContact O-N 3.14Å; I77-T81 PolarHBondContact O-OG1 3.42Å; F78-T81 PolarHBondContact O-N 3.49Å; F78-T81 PolarHBondContact O-OG1 2.96Å; I79-T81 PolarHBondContact O-N 3.05Å; T81-N83 VanDerWaalsContact C-N 3.35Å; T81-N83 PolarHBondContact O-N 3.34Å; T81-L84 PolarHBondContact O-N 3.37Å; T81-L85 WeakPolarHBondContact O-CB 3.43Å; T81-L85 WeakPolarHBondContact O-CD1 3.36Å; T81-L85 PolarHBondContact O-N 3.16Å
82T90.8Very high88.6Confident4 Ų443.5 Ų43.53%0.02524%0.241CC..Hα-helixtrans-62.6-40.9176.552.20000112.4P27 F78 I79 G86P27-T82 HydrophobicContact CB-CG2 4.29Å; P27-T82 HydrophobicContact CG-CG2 3.53Å; F78-T82 HydrophobicContact CD2-CG2 4.33Å; F78-T82 HydrophobicContact CE1-CG2 4.14Å; F78-T82 HydrophobicContact CE2-CG2 3.94Å; F78-T82 HydrophobicContact CZ-CG2 3.84Å; F78-T82 WeakPolarHBondContact O-CG2 3.28Å; F78-T82 PolarHBondContact O-N 2.99Å; F78-T82 PolarHBondContact O-OG1 3.36Å; F78-T82 VanDerWaalsContact O-OG1 3.08Å; I79-T82 WeakPolarHBondContact CA-OG1 3.47Å; I79-T82 PolarHBondContact O-OG1 2.9Å; T82-G86 PolarHBondContact O-N 3.16Å; T82-G86 VanDerWaalsContact O-N 3.1Å
83N90.9Very high88.3Confident2 Ų243.6 Ų43.61%0.01124%0.241CC..Hα-helixtrans-71.4-41.8-179.3-66.2-10.4000111.4I79 T81 G86 L87 T95 L160 I164 A207I79-N83 WeakPolarHBondContact CG2-ND2 3.37Å; I79-N83 WeakPolarHBondContact O-CB 3.38Å; I79-N83 PolarHBondContact O-N 3.07Å; I79-N83 PolarHBondContact O-ND2 3.16Å; I79-N83 PolarHBondContact O-OD1 2.92Å; T81-N83 VanDerWaalsContact C-N 3.35Å; T81-N83 PolarHBondContact O-N 3.34Å; N83-G86 WeakPolarHBondContact O-CA 3.49Å; N83-G86 PolarHBondContact O-N 2.91Å; N83-G86 VanDerWaalsContact O-N 3.12Å; N83-L87 PolarHBondContact O-N 3.29Å; N83-T95 WeakPolarHBondContact OD1-CB 3.42Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.26Å; N83-T95 PolarHBondContact OD1-OG1 3.24Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.07Å; N83-I164 HydrophobicContact CB-CD1 4.25Å; N83-I164 VanDerWaalsContact CG-CD1 3.4Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.36Å; N83-A207 HydrophobicContact CB-CB 3.89Å; N83-A207 PolarHBondContact ND2-O 3.05Å
84L89.8Confident87.9Confident92 Ų9243.3 Ų43.348%0.48224%0.24SC..Hα-helixtrans-66.9-41.7179.7-166.7111.6000111.7A80 T81 G86 L87A80-L84 VanDerWaalsContact O-CB 3.28Å; A80-L84 WeakPolarHBondContact O-CB 3.29Å; A80-L84 PolarHBondContact O-N 3.22Å; T81-L84 PolarHBondContact O-N 3.37Å; L84-G86 PolarHBondContact O-N 2.92Å; L84-L87 PolarHBondContact O-N 3.3Å
85L89.7Confident87.6Confident36 Ų3640.2 Ų40.219%0.18822%0.218CC..Hα-helixtrans-61-32.6172.2-97.582.8000112.1F26 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD2 3.3Å; F26-L85 HydrophobicContact CE1-CD2 3.54Å; L30-L85 HydrophobicContact CD1-CD1 3.37Å; L30-L85 HydrophobicContact CD1-CD2 3.93Å; L30-L85 HydrophobicContact CD1-CG 4.19Å; T81-L85 WeakPolarHBondContact O-CB 3.43Å; T81-L85 WeakPolarHBondContact O-CD1 3.36Å; T81-L85 PolarHBondContact O-N 3.16Å; L85-L87 PolarHBondContact O-N 3.17Å; L85-L88 HydrophobicContact CG-CD1 4.41Å; L85-L88 VanDerWaalsContact O-CB 3.24Å; L85-L88 WeakPolarHBondContact O-CB 3.48Å; L85-L88 VanDerWaalsContact O-CG 3.29Å; L85-L88 WeakPolarHBondContact O-CG 3Å; L85-L88 PolarHBondContact O-N 3.37Å; L85-L88 VanDerWaalsContact O-N 3.14Å; L85-S91 PolarHBondContact O-OG 3.26Å
86G85.6Confident87.4Confident2 Ų239.8 Ų39.82%0.02122%0.216CC..Hα-helixtrans-58.8-32177.700000116.4T82 N83 L84 L88 S91 H168T82-G86 PolarHBondContact O-N 3.16Å; T82-G86 VanDerWaalsContact O-N 3.1Å; N83-G86 WeakPolarHBondContact O-CA 3.49Å; N83-G86 PolarHBondContact O-N 2.91Å; N83-G86 VanDerWaalsContact O-N 3.12Å; L84-G86 PolarHBondContact O-N 2.92Å; G86-L88 PolarHBondContact O-N 3.47Å; G86-S91 VanDerWaalsContact C-OG 3.28Å; G86-S91 WeakPolarHBondContact CA-OG 2.95Å; G86-S91 PolarHBondContact O-OG 3.3Å; G86-H168 PolarHBondContact O-CE1 3.35Å; G86-H168 PolarHBondContact O-NE2 2.94Å
87L86.6Confident87.2Confident39 Ų3942.2 Ų42.220%0.20423%0.228CC..THydrogen-bonded Turntrans-75.7-6.4-179.9-59.6176000112.5N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 3.29Å; L84-L87 PolarHBondContact O-N 3.3Å; L85-L87 PolarHBondContact O-N 3.17Å; L87-M171 HydrophobicContact CD2-CE 3.99Å; L87-E203 HydrophobicContact CD1-CG 4.44Å; L87-E203 HydrophobicContact CD2-CB 4.18Å; L87-E203 HydrophobicContact CD2-CG 3.4Å; L87-I204 HydrophobicContact CD1-CB 4.18Å; L87-I204 HydrophobicContact CD1-CG1 3.59Å; L87-A207 HydrophobicContact CD1-CB 4.1Å
88L87.3Confident87Confident100 Ų10043.8 Ų43.852%0.52424%0.236SC..SBendtrans-66.9142.5174.3-65.1173000110.5L85 G86 H90 S91L85-L88 HydrophobicContact CG-CD1 4.41Å; L85-L88 VanDerWaalsContact O-CB 3.24Å; L85-L88 WeakPolarHBondContact O-CB 3.48Å; L85-L88 VanDerWaalsContact O-CG 3.29Å; L85-L88 WeakPolarHBondContact O-CG 3Å; L85-L88 PolarHBondContact O-N 3.37Å; L85-L88 VanDerWaalsContact O-N 3.14Å; G86-L88 PolarHBondContact O-N 3.47Å; L88-H90 PolarHBondContact O-N 3.08Å; L88-S91 WeakPolarHBondContact O-CB 3.39Å; L88-S91 PolarHBondContact O-N 3.47Å; L88-S91 VanDerWaalsContact O-N 3.15Å; L88-S91 PolarHBondContact O-OG 3.07Å
89P81.7Confident86.9Confident113 Ų11345.4 Ų45.473%0.73425%0.253SS*.THydrogen-bonded Turntrans-58.9135.1-179.325-34000110.7S91P89-S91 PolarHBondContact O-N 3.21Å; P89-S91 VanDerWaalsContact O-N 3.11Å
90H82.1Confident86.7Confident203 Ų20347.3 Ų47.394%0.9426%0.263SS*.THydrogen-bonded Turntrans57.916.5-178.8-57.2-67000115.9L88L88-H90 PolarHBondContact O-N 3.08Å
91S84Confident86.6Confident35 Ų3545.9 Ų45.925%0.24525%0.251CS..  trans-81142.9171.9730000111.1L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 3.26Å; G86-S91 VanDerWaalsContact C-OG 3.28Å; G86-S91 WeakPolarHBondContact CA-OG 2.95Å; G86-S91 PolarHBondContact O-OG 3.3Å; L88-S91 WeakPolarHBondContact O-CB 3.39Å; L88-S91 PolarHBondContact O-N 3.47Å; L88-S91 VanDerWaalsContact O-N 3.15Å; L88-S91 PolarHBondContact O-OG 3.07Å; P89-S91 PolarHBondContact O-N 3.21Å; P89-S91 VanDerWaalsContact O-N 3.11Å
92F82.3Confident86.4Confident26 Ų2647 Ų4711%0.11426%0.255CS..  trans-90123.8171.1171.4-94.4000109.3S8 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.39Å; P12-F92 HydrophobicContact CG-CB 4.39Å; P12-F92 HydrophobicContact CG-CD1 4.13Å; P12-F92 HydrophobicContact CG-CG 4.09Å; A20-F92 HydrophobicContact CB-CE1 4.36Å; I23-F92 HydrophobicContact CD1-CB 4Å; I23-F92 HydrophobicContact CD1-CD1 3.88Å; I23-F92 HydrophobicContact CD1-CG 4.33Å; I23-F92 HydrophobicContact CG2-CD1 4.48Å; I23-F92 WeakPolarHBondContact CG2-O 3.21Å; F92-P94 HydrophobicContact CE1-CB 4.44Å; F92-P94 WeakPolarHBondContact O-CD 3.5Å; F92-Q97 HydrophobicContact CZ-CG 4.14Å
93T83.9Confident86.3Confident3 Ų349.7 Ų49.72%0.01828%0.278CS..  trans-92.8111.4178.128.80000111.2T95 T96 I164T93-T95 PolarHBondContact O-N 3.41Å; T93-T95 VanDerWaalsContact O-N 3.16Å; T93-T96 PolarHBondContact O-N 3.33Å; T93-T96 VanDerWaalsContact O-N 3.17Å; T93-T96 PolarHBondContact O-OG1 3.1Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.37Å; T93-I164 HydrophobicContact CG2-CG2 4.33Å
94P82.7Confident86Confident10 Ų1050.9 Ų50.97%0.06528%0.284CS..G310 helixtrans-63.5-23.7176.726.2-33.6000112.6I24 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.25Å; I24-P94 HydrophobicContact CG1-CB 3.7Å; I24-P94 HydrophobicContact CG1-CG 4.04Å; F92-P94 HydrophobicContact CE1-CB 4.44Å; F92-P94 WeakPolarHBondContact O-CD 3.5Å; P94-T96 VanDerWaalsContact C-N 3.26Å; P94-T96 PolarHBondContact O-N 2.95Å; P94-Q97 PolarHBondContact O-N 3.32Å; P94-M100 HydrophobicContact CB-CG 4.45Å; P94-M100 WeakPolarHBondContact O-CB 3.36Å
95T85.1Confident85.9Confident1 Ų146.7 Ų46.71%0.00626%0.262CS..G310 helixtrans-75.8-7179.151.30000114.5N83 T93 Q97 N101 L160 I164N83-T95 WeakPolarHBondContact OD1-CB 3.42Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.26Å; N83-T95 PolarHBondContact OD1-OG1 3.24Å; T93-T95 PolarHBondContact O-N 3.41Å; T93-T95 VanDerWaalsContact O-N 3.16Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; T95-N101 PolarHBondContact O-ND2 3.26Å; T95-L160 HydrophobicContact CG2-CD2 4.46Å; T95-I164 VanDerWaalsContact OG1-CD1 3.31Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.28Å
96T85.6Confident85.7Confident9 Ų947.7 Ų47.76%0.05527%0.27CS..G310 helixtrans-74.7-26.3169.456.70000112.4F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.82Å; F9-T96 HydrophobicContact CE1-CG2 3.7Å; T93-T96 PolarHBondContact O-N 3.33Å; T93-T96 VanDerWaalsContact O-N 3.17Å; T93-T96 PolarHBondContact O-OG1 3.1Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.37Å; P94-T96 VanDerWaalsContact C-N 3.26Å; P94-T96 PolarHBondContact O-N 2.95Å; T96-L98 PolarHBondContact O-N 3.14Å; T96-T161 WeakPolarHBondContact O-CG2 3.17Å; T96-I164 HydrophobicContact CG2-CB 4.42Å; T96-I164 HydrophobicContact CG2-CG2 3.69Å; T96-T165 HydrophobicContact CG2-CG2 3.74Å
97Q88.8Confident85.9Confident68 Ų6851.4 Ų51.432%0.31829%0.294SS..SBendtrans-79119.8178.9-66.2-63.9-29.300109.9F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 3.37Å; F92-Q97 HydrophobicContact CZ-CG 4.14Å; P94-Q97 PolarHBondContact O-N 3.32Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; Q97-S99 PolarHBondContact O-N 2.92Å; Q97-M100 PolarHBondContact O-N 2.69Å; Q97-M100 VanDerWaalsContact O-N 3.09Å; Q97-N101 PolarHBondContact O-N 3.34Å
98L86.6Confident85.9Confident66 Ų6650.4 Ų50.435%0.34629%0.289SS..Hα-helixtrans-58-33.5178.4-177.164.7000112.2T96 M100 N101 L102 M154 A157 V158 T161T96-L98 PolarHBondContact O-N 3.14Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.3Å; L98-N101 PolarHBondContact O-N 3.16Å; L98-L102 VanDerWaalsContact O-CB 3.27Å; L98-L102 WeakPolarHBondContact O-CB 3.42Å; L98-L102 PolarHBondContact O-N 3.44Å; L98-M154 HydrophobicContact CD2-CE 4.35Å; L98-A157 HydrophobicContact CD1-CB 4.33Å; L98-V158 HydrophobicContact CD1-CG2 3.89Å; L98-T161 VanDerWaalsContact CA-CG2 3.45Å; L98-T161 HydrophobicContact CB-CG2 4.03Å; L98-T161 HydrophobicContact CD1-CG2 4Å
99S88.2Confident85.9Confident84 Ų8447.8 Ų47.859%0.58727%0.272SS*.Hα-helixtrans-56.5-43.8176.255.50000112.4Q97 A103Q97-S99 PolarHBondContact O-N 2.92Å; S99-A103 WeakPolarHBondContact O-CB 3.39Å; S99-A103 PolarHBondContact O-N 2.96Å
100M87.4Confident86.1Confident40 Ų4043.9 Ų43.920%0.19725%0.249CC..Hα-helixtrans-68-45.5-178.7-176.153.5-174.100111.3I24 F78 P94 Q97 L98 A103 M104I24-M100 HydrophobicContact CD1-SD 4.42Å; I24-M100 HydrophobicContact CG2-CE 4.26Å; F78-M100 HydrophobicContact CE1-CE 3.98Å; F78-M100 HydrophobicContact CZ-CE 3.94Å; P94-M100 HydrophobicContact CB-CG 4.45Å; P94-M100 WeakPolarHBondContact O-CB 3.36Å; Q97-M100 PolarHBondContact O-N 2.69Å; Q97-M100 VanDerWaalsContact O-N 3.09Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.3Å; M100-A103 PolarHBondContact O-N 3.37Å; M100-M104 HydrophobicContact CE-CE 3.61Å; M100-M104 HydrophobicContact CE-CG 4.43Å; M100-M104 HydrophobicContact CE-SD 4.07Å; M100-M104 HydrophobicContact CG-CE 3.63Å; M100-M104 WeakPolarHBondContact O-CE 3.36Å; M100-M104 PolarHBondContact O-N 3.17Å; M100-M104 HydrophobicContact SD-CE 4.1Å
101N88.3Confident86.2Confident0 Ų035.3 Ų35.30%022%0.215CC..Hα-helixtrans-68.3-37.9180-66-10.2000112T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.26Å; Q97-N101 PolarHBondContact O-N 3.34Å; L98-N101 PolarHBondContact O-N 3.16Å; N101-M104 PolarHBondContact O-N 2.91Å; N101-A105 VanDerWaalsContact O-CB 3.29Å; N101-A105 WeakPolarHBondContact O-CB 3.43Å; N101-A105 PolarHBondContact O-N 2.82Å; N101-A157 HydrophobicContact CB-CB 3.92Å; N101-A157 PolarHBondContact ND2-O 3.38Å; N101-L160 HydrophobicContact CB-CD2 4.37Å; N101-L160 VanDerWaalsContact CG-CD2 3.47Å; N101-L160 WeakPolarHBondContact ND2-CB 3.36Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.46Å; N101-L160 VanDerWaalsContact ND2-CG 3.34Å; N101-L160 WeakPolarHBondContact ND2-CG 3.43Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.33Å; N101-T161 HydrophobicContact CB-CG2 4.3Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.37Å; N101-T161 PolarHBondContact ND2-N 2.97Å
102L86.3Confident86.2Confident53 Ų5333.6 Ų33.628%0.27720%0.204SC..Hα-helixtrans-69.5-37.4176.2-166.267.5000111.8L98 M104 A105 T106 M154 A157L98-L102 VanDerWaalsContact O-CB 3.27Å; L98-L102 WeakPolarHBondContact O-CB 3.42Å; L98-L102 PolarHBondContact O-N 3.44Å; L102-M104 VanDerWaalsContact C-N 3.26Å; L102-M104 PolarHBondContact O-N 2.96Å; L102-A105 PolarHBondContact O-N 3.49Å; L102-T106 HydrophobicContact CD1-CG2 3.65Å; L102-T106 HydrophobicContact CG-CG2 3.83Å; L102-T106 WeakPolarHBondContact O-CB 3.37Å; L102-T106 WeakPolarHBondContact O-CG2 3.12Å; L102-T106 PolarHBondContact O-N 3.46Å; L102-T106 PolarHBondContact O-OG1 2.94Å; L102-M154 HydrophobicContact CD1-SD 3.63Å; L102-M154 HydrophobicContact CD2-SD 4.42Å; L102-A157 HydrophobicContact CB-CB 4.46Å; L102-A157 HydrophobicContact CD1-CB 4.26Å
103A88.8Confident86.3Confident61 Ų6133.2 Ų33.250%0.50420%0.203SC..Hα-helixtrans-64.1-30.6173.900000112.5S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.39Å; S99-A103 PolarHBondContact O-N 2.96Å; M100-A103 PolarHBondContact O-N 3.37Å; A103-P107 WeakPolarHBondContact O-CD 3.18Å; A103-P107 WeakPolarHBondContact O-CG 3.29Å
104M85.6Confident86.3Confident28 Ų2837.7 Ų37.714%0.13823%0.226CC..Hα-helixtrans-79.6-43.2171.6-75.7-176.5-8500113F78 M100 N101 L102 P107 L108F78-M104 HydrophobicContact CD1-SD 3.88Å; F78-M104 HydrophobicContact CE1-CE 4.14Å; F78-M104 HydrophobicContact CE1-SD 3.54Å; F78-M104 VanDerWaalsContact CE1-SD 3.54Å; M100-M104 HydrophobicContact CE-CE 3.61Å; M100-M104 HydrophobicContact CE-CG 4.43Å; M100-M104 HydrophobicContact CE-SD 4.07Å; M100-M104 HydrophobicContact CG-CE 3.63Å; M100-M104 WeakPolarHBondContact O-CE 3.36Å; M100-M104 PolarHBondContact O-N 3.17Å; M100-M104 HydrophobicContact SD-CE 4.1Å; N101-M104 PolarHBondContact O-N 2.91Å; L102-M104 VanDerWaalsContact C-N 3.26Å; L102-M104 PolarHBondContact O-N 2.96Å; M104-P107 WeakPolarHBondContact O-CD 3.21Å; M104-L108 WeakPolarHBondContact O-CD1 3.09Å; M104-L108 WeakPolarHBondContact O-CG 3.49Å
105A86.7Confident86.2Confident3 Ų339.6 Ų39.63%0.02524%0.235CC..Hα-helixtrans-73.3-41.1-172.200000113N101 L102 L108 W109 L156 A157 F214N101-A105 VanDerWaalsContact O-CB 3.29Å; N101-A105 WeakPolarHBondContact O-CB 3.43Å; N101-A105 PolarHBondContact O-N 2.82Å; L102-A105 PolarHBondContact O-N 3.49Å; A105-L108 PolarHBondContact O-N 2.95Å; A105-W109 WeakPolarHBondContact O-CB 3.22Å; A105-W109 PolarHBondContact O-N 3.05Å; A105-L156 HydrophobicContact CB-CD2 4.33Å; A105-A157 HydrophobicContact CB-CB 4.28Å; A105-F214 HydrophobicContact CB-CE2 4.36Å; A105-F214 HydrophobicContact CB-CZ 4.14Å
106T86.8Confident85.8Confident58 Ų5839.6 Ų39.636%0.35624%0.235SC..Hα-helixtrans-66.4-42.6-173.856.10000113.8L102 A110L102-T106 HydrophobicContact CD1-CG2 3.65Å; L102-T106 HydrophobicContact CG-CG2 3.83Å; L102-T106 WeakPolarHBondContact O-CB 3.37Å; L102-T106 WeakPolarHBondContact O-CG2 3.12Å; L102-T106 PolarHBondContact O-N 3.46Å; L102-T106 PolarHBondContact O-OG1 2.94Å; T106-A110 WeakPolarHBondContact O-CB 3.5Å; T106-A110 PolarHBondContact O-N 3.04Å
107P89.1Confident85.5Confident80 Ų8043.1 Ų43.152%0.51925%0.25SC..Hα-helixtrans-71.3-35.3178.8-18.735.2000112.4A103 M104 G111A103-P107 WeakPolarHBondContact O-CD 3.18Å; A103-P107 WeakPolarHBondContact O-CG 3.29Å; M104-P107 WeakPolarHBondContact O-CD 3.21Å; P107-G111 PolarHBondContact O-N 3.44Å
108L87.7Confident84.9Confident18 Ų1850 Ų509%0.09427%0.273CS..Hα-helixtrans-64.3-48.1177-71.4167.8000111.2M71 L75 M104 A105 G111 T112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.7Å; M71-L108 HydrophobicContact CG-CD2 4Å; M71-L108 HydrophobicContact SD-CD2 3.57Å; M71-L108 VanDerWaalsContact SD-CD2 3.57Å; L75-L108 HydrophobicContact CD1-CD1 3.44Å; L75-L108 VanDerWaalsContact CD1-CD1 3.44Å; L75-L108 HydrophobicContact CD2-CD1 3.95Å; L75-L108 HydrophobicContact CG-CD1 4.35Å; M104-L108 WeakPolarHBondContact O-CD1 3.09Å; M104-L108 WeakPolarHBondContact O-CG 3.49Å; A105-L108 PolarHBondContact O-N 2.95Å; L108-G111 PolarHBondContact O-N 3.25Å; L108-T112 PolarHBondContact O-N 3.35Å; L108-F214 HydrophobicContact CD1-CE1 4.17Å; L108-V218 HydrophobicContact CB-CG1 4.47Å
109W86.1Confident84Confident44 Ų4449 Ų4917%0.16727%0.272CS..Hα-helixtrans-64.7-44.4175.8173.391.2000112A105 G111 T112 V113 L149 L150 P153A105-W109 WeakPolarHBondContact O-CB 3.22Å; A105-W109 PolarHBondContact O-N 3.05Å; W109-G111 PolarHBondContact O-N 3.11Å; W109-T112 PolarHBondContact O-N 2.87Å; W109-T112 PolarHBondContact O-OG1 3.31Å; W109-V113 HydrophobicContact CD2-CG2 4.07Å; W109-V113 HydrophobicContact CH2-CG2 4.32Å; W109-V113 HydrophobicContact CZ2-CG2 3.88Å; W109-V113 WeakPolarHBondContact O-CG2 3.45Å; W109-V113 PolarHBondContact O-N 3.48Å; W109-L149 HydrophobicContact CH2-CD2 4.11Å; W109-L149 HydrophobicContact CZ2-CD2 3.43Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.43Å; W109-L149 HydrophobicContact CZ2-CG 3.9Å; W109-L149 VanDerWaalsContact CZ2-O 3.25Å; W109-L149 WeakPolarHBondContact CZ2-O 3.34Å; W109-L149 PolarHBondContact NE1-O 3.33Å; W109-L149 VanDerWaalsContact NE1-O 3.14Å; W109-L150 HydrophobicContact CH2-CD2 3.71Å; W109-L150 HydrophobicContact CZ2-CD2 4.23Å; W109-P153 HydrophobicContact CB-CB 3.88Å; W109-P153 HydrophobicContact CB-CG 4.35Å; W109-P153 HydrophobicContact CD2-CB 4.31Å; W109-P153 HydrophobicContact CD2-CG 3.8Å; W109-P153 HydrophobicContact CE3-CG 4.3Å; W109-P153 HydrophobicContact CG-CB 3.85Å; W109-P153 HydrophobicContact CG-CG 3.8Å
110A85.6Confident83.1Confident32 Ų3249.6 Ų49.626%0.26426%0.263SS..Hα-helixtrans-61.1-39.4177.100000110.6T106 V113 I114T106-A110 WeakPolarHBondContact O-CB 3.5Å; T106-A110 PolarHBondContact O-N 3.04Å; A110-V113 PolarHBondContact O-N 3.33Å; A110-I114 VanDerWaalsContact O-CB 3.31Å; A110-I114 WeakPolarHBondContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CD1 3.16Å; A110-I114 WeakPolarHBondContact O-CG1 3.28Å; A110-I114 PolarHBondContact O-N 3.04Å
111G85.5Confident82Confident22 Ų2253 Ų5323%0.22728%0.281CS..Hα-helixtrans-61.3-44.6175.700000113.4P107 L108 W109 M115P107-G111 PolarHBondContact O-N 3.44Å; L108-G111 PolarHBondContact O-N 3.25Å; W109-G111 PolarHBondContact O-N 3.11Å; G111-M115 VanDerWaalsContact O-CB 3.3Å; G111-M115 WeakPolarHBondContact O-CB 3.35Å; G111-M115 PolarHBondContact O-N 3.2Å
112T84.1Confident80.7Confident0 Ų062 Ų620%032%0.32CS..Hα-helixtrans-66.2-43.1177.756.20000111.5W68 L108 W109 M115 G116 L222W68-T112 HydrophobicContact CE3-CG2 4.42Å; W68-T112 HydrophobicContact CH2-CG2 4.27Å; W68-T112 HydrophobicContact CZ3-CG2 3.78Å; L108-T112 PolarHBondContact O-N 3.35Å; W109-T112 PolarHBondContact O-N 2.87Å; W109-T112 PolarHBondContact O-OG1 3.31Å; T112-M115 PolarHBondContact O-N 3.28Å; T112-G116 PolarHBondContact O-N 2.89Å; T112-L222 HydrophobicContact CG2-CB 4.23Å; T112-L222 HydrophobicContact CG2-CD1 4.08Å
113V82.8Confident79.8Confident17 Ų1764.3 Ų64.310%0.10333%0.333CS..Hα-helixtrans-64.2-47.2178.3172.80000111.3W109 A110 M115 G116 F117 L149W109-V113 HydrophobicContact CD2-CG2 4.07Å; W109-V113 HydrophobicContact CH2-CG2 4.32Å; W109-V113 HydrophobicContact CZ2-CG2 3.88Å; W109-V113 WeakPolarHBondContact O-CG2 3.45Å; W109-V113 PolarHBondContact O-N 3.48Å; A110-V113 PolarHBondContact O-N 3.33Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.37Å; V113-G116 PolarHBondContact O-N 3.36Å; V113-F117 HydrophobicContact CG1-CD2 3.64Å; V113-F117 HydrophobicContact CG1-CE2 3.37Å; V113-F117 WeakPolarHBondContact O-CD2 3.38Å; V113-F117 PolarHBondContact O-N 3.11Å; V113-L149 HydrophobicContact CG2-CD2 4.48Å
114I84.4Confident78.5Confident98 Ų9862.3 Ų62.350%0.50332%0.316SS..Hα-helixtrans-61.1-39.4176.7-68.5163.7000110.6A110 R118A110-I114 VanDerWaalsContact O-CB 3.31Å; A110-I114 WeakPolarHBondContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CD1 3.16Å; A110-I114 WeakPolarHBondContact O-CG1 3.28Å; A110-I114 PolarHBondContact O-N 3.04Å; I114-R118 HydrophobicContact CG2-CG 4.39Å; I114-R118 WeakPolarHBondContact O-CB 3.5Å; I114-R118 VanDerWaalsContact O-CG 3.28Å; I114-R118 WeakPolarHBondContact O-CG 3.45Å; I114-R118 PolarHBondContact O-N 3.42Å
115M81.6Confident77.4Confident49 Ų4965.4 Ų65.424%0.24133%0.333CS..Hα-helixtrans-67.5-37177-171.6154.617800112.5W68 G111 T112 V113 R118 S119W68-M115 HydrophobicContact CZ2-SD 3.9Å; W68-M115 PolarHBondContact NE1-SD 2.83Å; G111-M115 VanDerWaalsContact O-CB 3.3Å; G111-M115 WeakPolarHBondContact O-CB 3.35Å; G111-M115 PolarHBondContact O-N 3.2Å; T112-M115 PolarHBondContact O-N 3.28Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.37Å; M115-R118 PolarHBondContact O-N 3.42Å; M115-S119 VanDerWaalsContact O-CB 3.31Å; M115-S119 WeakPolarHBondContact O-CB 3.49Å; M115-S119 PolarHBondContact O-N 2.67Å; M115-S119 PolarHBondContact O-OG 3.18Å; M115-S119 VanDerWaalsContact O-OG 3.07Å
116G76.8Confident76.2Confident1 Ų167.9 Ų67.91%0.0135%0.353CS..Hα-helixtrans-61-51.1172.300000112.5T112 V113 R118 S119 K120 N225T112-G116 PolarHBondContact O-N 2.89Å; V113-G116 PolarHBondContact O-N 3.36Å; G116-R118 VanDerWaalsContact C-N 3.33Å; G116-R118 PolarHBondContact O-N 3.31Å; G116-S119 PolarHBondContact O-N 3.45Å; G116-S119 PolarHBondContact O-OG 3.45Å; G116-K120 PolarHBondContact O-N 3.37Å; G116-N225 WeakPolarHBondContact CA-O 3.31Å
117F78.3Confident75Confident83 Ų8370.6 Ų70.636%0.36436%0.362SS..Hα-helixtrans-60.1-40.9175.6-76.7-62.5000112.2V113 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.64Å; V113-F117 HydrophobicContact CG1-CE2 3.37Å; V113-F117 WeakPolarHBondContact O-CD2 3.38Å; V113-F117 PolarHBondContact O-N 3.11Å; F117-I121 WeakPolarHBondContact O-CG1 3.3Å; F117-A124 HydrophobicContact CD1-CB 4.37Å; F117-L125 HydrophobicContact CD1-CD1 4.21Å; F117-L125 HydrophobicContact CE1-CD1 3.84Å; F117-F128 HydrophobicContact CZ-CE2 4.46Å
118R76.2Confident73.7Confident212 Ų21268.5 Ų68.580%0.835%0.345SS*.Hα-helixtrans-70.6-34.7179.6-74.1178.868.7-165.61.7113.6I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.39Å; I114-R118 WeakPolarHBondContact O-CB 3.5Å; I114-R118 VanDerWaalsContact O-CG 3.28Å; I114-R118 WeakPolarHBondContact O-CG 3.45Å; I114-R118 PolarHBondContact O-N 3.42Å; M115-R118 PolarHBondContact O-N 3.42Å; G116-R118 VanDerWaalsContact C-N 3.33Å; G116-R118 PolarHBondContact O-N 3.31Å
119S67.8Low72.4Confident47 Ų4770.8 Ų70.833%0.32936%0.356SS..Hα-helixtrans-88.2-39.4-172.272.60000113.4M115 G116 N225M115-S119 VanDerWaalsContact O-CB 3.31Å; M115-S119 WeakPolarHBondContact O-CB 3.49Å; M115-S119 PolarHBondContact O-N 2.67Å; M115-S119 PolarHBondContact O-OG 3.18Å; M115-S119 VanDerWaalsContact O-OG 3.07Å; G116-S119 PolarHBondContact O-N 3.45Å; G116-S119 PolarHBondContact O-OG 3.45Å; S119-N225 PolarHBondContact OG-O 3.3Å
120K69.4Low71.2Confident95 Ų9571.9 Ų71.941%0.41337%0.37SS..  trans-147.972.8-177.7-67.8176.5-178.1156.60111.4G116 K122 N123 A124 T226G116-K120 PolarHBondContact O-N 3.37Å; K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 3.47Å; K120-K122 VanDerWaalsContact O-N 3.16Å; K120-N123 HydrophobicContact CB-CB 3.89Å; K120-N123 HydrophobicContact CD-CB 4.21Å; K120-N123 PolarHBondContact O-N 2.98Å; K120-N123 VanDerWaalsContact O-N 3.09Å; K120-A124 WeakPolarHBondContact O-CB 3.39Å; K120-A124 PolarHBondContact O-N 3.41Å; K120-T226 WeakPolarHBondContact CE-O 3.41Å; K120-T226 PolarHBondContact NZ-O 2.8Å; K120-T226 PolarHBondContact NZ-OXT 3.49Å
121I63.6Low70Confident111 Ų11180 Ų8057%0.56940%0.402SS*.Hα-helixtrans-47-48.6177.1-59.9171000111.8F117 N123 L125F117-I121 WeakPolarHBondContact O-CG1 3.3Å; I121-N123 PolarHBondContact O-N 3.46Å; I121-L125 HydrophobicContact CG2-CD1 3.86Å; I121-L125 WeakPolarHBondContact O-CD1 3.43Å; I121-L125 PolarHBondContact O-N 3.24Å
122K61.8Low68.9Low189 Ų18983 Ų8382%0.82243%0.433SS*.Hα-helixtrans-66.7-37-176.4-65.2-176.1179.2-177.60113.4K120 A126K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 3.47Å; K120-K122 VanDerWaalsContact O-N 3.16Å; K122-A126 VanDerWaalsContact O-CB 3.26Å; K122-A126 WeakPolarHBondContact O-CB 3.31Å; K122-A126 PolarHBondContact O-N 3.23Å
123N66.2Low68.2Low103 Ų10384.7 Ų84.755%0.55144%0.443SS*.Hα-helixtrans-80.2-35.6-178-144.263.8000111.3K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.89Å; K120-N123 HydrophobicContact CD-CB 4.21Å; K120-N123 PolarHBondContact O-N 2.98Å; K120-N123 VanDerWaalsContact O-N 3.09Å; I121-N123 PolarHBondContact O-N 3.46Å; N123-A126 PolarHBondContact O-N 3.46Å; N123-H127 PolarHBondContact O-N 3.06Å; N123-H127 VanDerWaalsContact O-N 3.08Å
124A62.3Low67.7Low18 Ų1887.4 Ų87.415%0.14946%0.461CS..Hα-helixtrans-63.3-42.9172.300000111.4F117 K120 H127F117-A124 HydrophobicContact CD1-CB 4.37Å; K120-A124 WeakPolarHBondContact O-CB 3.39Å; K120-A124 PolarHBondContact O-N 3.41Å; A124-H127 PolarHBondContact O-N 2.83Å
125L62.4Low67.2Low94 Ų9488.4 Ų88.449%0.49247%0.472SS..Hα-helixtrans-69.8-32.7174.2-89.481.5000112.8F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.21Å; F117-L125 HydrophobicContact CE1-CD1 3.84Å; I121-L125 HydrophobicContact CG2-CD1 3.86Å; I121-L125 WeakPolarHBondContact O-CD1 3.43Å; I121-L125 PolarHBondContact O-N 3.24Å; L125-H127 VanDerWaalsContact C-N 3.29Å; L125-H127 PolarHBondContact O-N 2.68Å; L125-F128 PolarHBondContact O-N 2.91Å
126A61.5Low67.2Low54 Ų5491 Ų9145%0.44649%0.493SS..Hα-helixtrans-67.8-28.5176.700000112.8K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.26Å; K122-A126 WeakPolarHBondContact O-CB 3.31Å; K122-A126 PolarHBondContact O-N 3.23Å; N123-A126 PolarHBondContact O-N 3.46Å; A126-F128 PolarHBondContact O-N 3.4Å; A126-L129 PolarHBondContact O-N 2.86Å
127H62.5Low67.4Low116 Ų11696 Ų9654%0.53752%0.518SS..THydrogen-bonded Turntrans-65.3-20.9175.5-161.5-64.1000112.8N123 A124 L125 L129N123-H127 PolarHBondContact O-N 3.06Å; N123-H127 VanDerWaalsContact O-N 3.08Å; A124-H127 PolarHBondContact O-N 2.83Å; L125-H127 VanDerWaalsContact C-N 3.29Å; L125-H127 PolarHBondContact O-N 2.68Å; H127-L129 PolarHBondContact O-N 3.14Å
128F61.6Low67.4Low35 Ų3594.4 Ų94.415%0.15451%0.513CS..THydrogen-bonded Turntrans-69-14.9173.1-67.6-57.8000113.4F117 L125 A126 L141 E145 T146 L149F117-F128 HydrophobicContact CZ-CE2 4.46Å; L125-F128 PolarHBondContact O-N 2.91Å; A126-F128 PolarHBondContact O-N 3.4Å; F128-L141 WeakPolarHBondContact O-CD2 3.4Å; F128-E145 HydrophobicContact CD1-CB 4.24Å; F128-E145 HydrophobicContact CD1-CG 3.84Å; F128-T146 HydrophobicContact CD1-CG2 4.24Å; F128-T146 HydrophobicContact CE1-CG2 4.02Å; F128-L149 HydrophobicContact CE1-CD1 4.45Å
129L60.6Low67.5Low66 Ų6688.3 Ų88.335%0.34650%0.501SS..SBendtrans-121.2114.7176.3-99.577.5000111A126 H127 Q131 I138 V142A126-L129 PolarHBondContact O-N 2.86Å; H127-L129 PolarHBondContact O-N 3.14Å; L129-Q131 PolarHBondContact O-N 2.92Å; L129-I138 HydrophobicContact CD1-CG2 4.02Å; L129-I138 HydrophobicContact CD2-CD1 4.24Å; L129-I138 HydrophobicContact CD2-CG1 4.35Å; L129-I138 HydrophobicContact CD2-CG2 3.79Å; L129-I138 HydrophobicContact CG-CG2 4.15Å; L129-V142 HydrophobicContact CD1-CG2 3.36Å
130P60.3Low68.2Low68 Ų6891.7 Ų91.744%0.44251%0.513SS..  trans-63.2136.7164.117.8-17.4000109.5G132 T133 L141P130-G132 PolarHBondContact O-N 2.95Å; P130-T133 HydrophobicContact CB-CG2 4.42Å; P130-T133 HydrophobicContact CG-CG2 3.76Å; P130-T133 WeakPolarHBondContact O-CG2 3.39Å; P130-T133 PolarHBondContact O-OG1 3.18Å; P130-L141 HydrophobicContact CG-CD1 3.73Å; P130-L141 HydrophobicContact CG-CD2 3.93Å; P130-L141 HydrophobicContact CG-CG 4.5Å
131Q60.8Low68.9Low203 Ų20389.4 Ų89.495%0.94951%0.505SS*.THydrogen-bonded Turntrans-63.7130.6-179.1-63.3-171.4-3.100110.1L129L129-Q131 PolarHBondContact O-N 2.92Å
132G62Low69.7Low84 Ų8486.3 Ų86.387%0.86649%0.491SS*.THydrogen-bonded Turntrans94.915.817700000116P130P130-G132 PolarHBondContact O-N 2.95Å
133T69.5Low70.8Confident36 Ų3681.6 Ų81.622%0.22147%0.474CS..  trans-75.6135.3175.845.70000112.3P130 L141P130-T133 HydrophobicContact CB-CG2 4.42Å; P130-T133 HydrophobicContact CG-CG2 3.76Å; P130-T133 WeakPolarHBondContact O-CG2 3.39Å; P130-T133 PolarHBondContact O-OG1 3.18Å; T133-L141 HydrophobicContact CG2-CD1 3.88Å
134P72.1Confident71.7Confident73 Ų7381 Ų8147%0.47447%0.47SS..  trans-67.8139.317828.7-34.3000110.5P136 L137P134-P136 VanDerWaalsContact C-N 3.34Å; P134-P136 WeakPolarHBondContact O-CD 3.49Å; P134-P136 VanDerWaalsContact O-N 3.09Å; P134-L137 HydrophobicContact CG-CB 4.37Å; P134-L137 HydrophobicContact CG-CD1 3.73Å; P134-L137 HydrophobicContact CG-CG 4.18Å; P134-L137 PolarHBondContact O-N 2.91Å
135T74.8Confident72.7Confident120 Ų12083 Ų8374%0.73648%0.476SS*.THydrogen-bonded Turntrans-48.6-35.1-171.6510000117.1
136P81.8Confident73.6Confident104 Ų10481 Ų8168%0.67547%0.468SS*.THydrogen-bonded Turntrans-76.1-21.8178.728.1-35.4000114.5P134 P139P134-P136 VanDerWaalsContact C-N 3.34Å; P134-P136 WeakPolarHBondContact O-CD 3.49Å; P134-P136 VanDerWaalsContact O-N 3.09Å; P136-P139 WeakPolarHBondContact O-CD 3.43Å
137L79.3Confident74.7Confident106 Ų10682.4 Ų82.456%0.55547%0.467SS*.THydrogen-bonded Turntrans-88.1-11.3-177.5-66.8178.7000113.4P134 M140 L141P134-L137 HydrophobicContact CG-CB 4.37Å; P134-L137 HydrophobicContact CG-CD1 3.73Å; P134-L137 HydrophobicContact CG-CG 4.18Å; P134-L137 PolarHBondContact O-N 2.91Å; L137-M140 PolarHBondContact O-N 3.06Å; L137-L141 PolarHBondContact O-N 3.24Å; L137-L141 VanDerWaalsContact O-N 3.13Å
138I78.3Confident75.6Confident48 Ų4879.5 Ų79.525%0.24646%0.46CS..Hα-helixtrans-56.1-48.7-176.3-63.6176.2000112.5L129 M140 L141 V142L129-I138 HydrophobicContact CD1-CG2 4.02Å; L129-I138 HydrophobicContact CD2-CD1 4.24Å; L129-I138 HydrophobicContact CD2-CG1 4.35Å; L129-I138 HydrophobicContact CD2-CG2 3.79Å; L129-I138 HydrophobicContact CG-CG2 4.15Å; I138-M140 VanDerWaalsContact C-N 3.32Å; I138-M140 PolarHBondContact O-N 3.07Å; I138-L141 PolarHBondContact O-N 3.23Å; I138-V142 HydrophobicContact CG2-CG2 4.43Å; I138-V142 WeakPolarHBondContact O-CG2 3.37Å; I138-V142 PolarHBondContact O-N 3.33Å; I138-V142 VanDerWaalsContact O-N 3.13Å
139P79Confident76.6Confident85 Ų8579.9 Ų79.955%0.55246%0.463SS*.Hα-helixtrans-64-37.2-175.8-21.333.9000112.8P136 I143P136-P139 WeakPolarHBondContact O-CD 3.43Å; P139-I143 WeakPolarHBondContact O-CG1 3.24Å; P139-I143 PolarHBondContact O-N 2.99Å
140M82.6Confident77.7Confident117 Ų11782 Ų8258%0.57647%0.474SS*.Hα-helixtrans-69.5-40.7178.9-173.463.2-172.500111.6L137 I138 I143 I144L137-M140 PolarHBondContact O-N 3.06Å; I138-M140 VanDerWaalsContact C-N 3.32Å; I138-M140 PolarHBondContact O-N 3.07Å; M140-I143 PolarHBondContact O-N 2.75Å; M140-I144 HydrophobicContact CE-CD1 4Å; M140-I144 HydrophobicContact CE-CG1 4.21Å; M140-I144 HydrophobicContact CG-CD1 4.14Å; M140-I144 WeakPolarHBondContact O-CG1 3.31Å; M140-I144 PolarHBondContact O-N 3.01Å; M140-I144 VanDerWaalsContact O-N 3.14Å
141L83.9Confident78.8Confident47 Ų4783.4 Ų83.425%0.24648%0.477CS..Hα-helixtrans-66.8-40.8-178.7-167.3151000112F128 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 3.4Å; P130-L141 HydrophobicContact CG-CD1 3.73Å; P130-L141 HydrophobicContact CG-CD2 3.93Å; P130-L141 HydrophobicContact CG-CG 4.5Å; T133-L141 HydrophobicContact CG2-CD1 3.88Å; L137-L141 PolarHBondContact O-N 3.24Å; L137-L141 VanDerWaalsContact O-N 3.13Å; I138-L141 PolarHBondContact O-N 3.23Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 2.91Å; L141-I144 PolarHBondContact O-N 3.1Å; L141-E145 PolarHBondContact O-N 2.96Å
142V80.5Confident79.9Confident47 Ų4776.3 Ų76.329%0.28544%0.444SS..Hα-helixtrans-58.3-43.5175.71740000110.9L129 I138 I144 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.36Å; I138-V142 HydrophobicContact CG2-CG2 4.43Å; I138-V142 WeakPolarHBondContact O-CG2 3.37Å; I138-V142 PolarHBondContact O-N 3.33Å; I138-V142 VanDerWaalsContact O-N 3.13Å; V142-I144 PolarHBondContact O-N 2.96Å; V142-E145 PolarHBondContact O-N 3.5Å; V142-T146 HydrophobicContact CG1-CG2 4.36Å; V142-T146 VanDerWaalsContact O-CG2 3.27Å; V142-T146 WeakPolarHBondContact O-CG2 3.4Å; V142-T146 PolarHBondContact O-N 3.44Å; V142-T146 PolarHBondContact O-OG1 3.32Å
143I84.5Confident80.7Confident89 Ų8972.8 Ų72.846%0.45641%0.406SS..Hα-helixtrans-61-47.4177.7-66.2166.7000110.3P139 M140 L141 E145 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.24Å; P139-I143 PolarHBondContact O-N 2.99Å; M140-I143 PolarHBondContact O-N 2.75Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 2.91Å; I143-E145 PolarHBondContact O-N 3.45Å; I143-T146 PolarHBondContact O-N 2.96Å; I143-T146 PolarHBondContact O-OG1 3.41Å; I143-I147 HydrophobicContact CG2-CD1 3.76Å; I143-I147 VanDerWaalsContact O-CG1 3.29Å; I143-I147 WeakPolarHBondContact O-CG1 3.34Å; I143-I147 PolarHBondContact O-N 3.26Å
144I85.4Confident81.3Confident92 Ų9275 Ų7547%0.47242%0.415SS..Hα-helixtrans-62.1-43.5179.6-64.1165.9000111.2M140 L141 V142 I147 S148M140-I144 HydrophobicContact CE-CD1 4Å; M140-I144 HydrophobicContact CE-CG1 4.21Å; M140-I144 HydrophobicContact CG-CD1 4.14Å; M140-I144 WeakPolarHBondContact O-CG1 3.31Å; M140-I144 PolarHBondContact O-N 3.01Å; M140-I144 VanDerWaalsContact O-N 3.14Å; L141-I144 PolarHBondContact O-N 3.1Å; V142-I144 PolarHBondContact O-N 2.96Å; I144-I147 PolarHBondContact O-N 3.09Å; I144-S148 WeakPolarHBondContact O-CB 2.97Å; I144-S148 PolarHBondContact O-N 3.08Å
145E83.1Confident81.9Confident58 Ų5873.5 Ų73.527%0.27141%0.409SS..Hα-helixtrans-67-39.7-179.3-166.861.8-160.800111.7F128 L141 V142 I143 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.24Å; F128-E145 HydrophobicContact CD1-CG 3.84Å; L141-E145 PolarHBondContact O-N 2.96Å; V142-E145 PolarHBondContact O-N 3.5Å; I143-E145 PolarHBondContact O-N 3.45Å; E145-I147 VanDerWaalsContact C-N 3.33Å; E145-I147 PolarHBondContact O-N 2.74Å; E145-S148 WeakPolarHBondContact O-CB 3.44Å; E145-S148 PolarHBondContact O-N 3.34Å; E145-L149 WeakPolarHBondContact O-CB 3.12Å; E145-L149 PolarHBondContact O-N 2.96Å
146T80.6Confident82.2Confident52 Ų5268.2 Ų68.232%0.31938%0.376SS..Hα-helixtrans-63-38.6173.859.30000112.4F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.24Å; F128-T146 HydrophobicContact CE1-CG2 4.02Å; V142-T146 HydrophobicContact CG1-CG2 4.36Å; V142-T146 VanDerWaalsContact O-CG2 3.27Å; V142-T146 WeakPolarHBondContact O-CG2 3.4Å; V142-T146 PolarHBondContact O-N 3.44Å; V142-T146 PolarHBondContact O-OG1 3.32Å; I143-T146 PolarHBondContact O-N 2.96Å; I143-T146 PolarHBondContact O-OG1 3.41Å; T146-L150 WeakPolarHBondContact O-CG 3.19Å; T146-L150 PolarHBondContact O-N 2.88Å
147I84.9Confident82.3Confident85 Ų8563.3 Ų63.344%0.43634%0.344SS..Hα-helixtrans-67.9-43.3175-67.9167.1000110.5I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.76Å; I143-I147 VanDerWaalsContact O-CG1 3.29Å; I143-I147 WeakPolarHBondContact O-CG1 3.34Å; I143-I147 PolarHBondContact O-N 3.26Å; I144-I147 PolarHBondContact O-N 3.09Å; E145-I147 VanDerWaalsContact C-N 3.33Å; E145-I147 PolarHBondContact O-N 2.74Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.32Å; I147-L150 PolarHBondContact O-N 3.41Å; I147-L150 VanDerWaalsContact O-N 3.15Å; I147-I151 HydrophobicContact CG2-CD1 3.49Å; I147-I151 VanDerWaalsContact CG2-CD1 3.49Å; I147-I151 HydrophobicContact CG2-CG1 4.13Å; I147-I151 WeakPolarHBondContact O-CG1 3.49Å; I147-I151 PolarHBondContact O-N 3.46Å
148S82.9Confident82.6Confident55 Ų5561.1 Ų61.139%0.38534%0.335SS..Hα-helixtrans-56.8-47.6177.2-177.20000111.4I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 2.97Å; I144-S148 PolarHBondContact O-N 3.08Å; E145-S148 WeakPolarHBondContact O-CB 3.44Å; E145-S148 PolarHBondContact O-N 3.34Å; S148-L150 VanDerWaalsContact C-N 3.28Å; S148-L150 PolarHBondContact O-N 3.08Å; S148-I151 PolarHBondContact O-N 3.32Å; S148-Q152 WeakPolarHBondContact O-CB 3.3Å; S148-Q152 PolarHBondContact O-N 3.44Å
149L82.5Confident83Confident43 Ų4363.3 Ų63.323%0.22534%0.34CS..Hα-helixtrans-59.5-36.7177.4-173.7122.6000112.3W109 V113 F128 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.11Å; W109-L149 HydrophobicContact CZ2-CD2 3.43Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.43Å; W109-L149 HydrophobicContact CZ2-CG 3.9Å; W109-L149 VanDerWaalsContact CZ2-O 3.25Å; W109-L149 WeakPolarHBondContact CZ2-O 3.34Å; W109-L149 PolarHBondContact NE1-O 3.33Å; W109-L149 VanDerWaalsContact NE1-O 3.14Å; V113-L149 HydrophobicContact CG2-CD2 4.48Å; F128-L149 HydrophobicContact CE1-CD1 4.45Å; E145-L149 WeakPolarHBondContact O-CB 3.12Å; E145-L149 PolarHBondContact O-N 2.96Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.32Å; L149-P153 WeakPolarHBondContact O-CD 3.09Å
150L81.9Confident83.2Confident109 Ų10959.2 Ų59.257%0.57131%0.314SS*.Hα-helixtrans-77.8-35.2177.6-72.7173.1000114.1W109 T146 I147 S148 Q152 P153W109-L150 HydrophobicContact CH2-CD2 3.71Å; W109-L150 HydrophobicContact CZ2-CD2 4.23Å; T146-L150 WeakPolarHBondContact O-CG 3.19Å; T146-L150 PolarHBondContact O-N 2.88Å; I147-L150 PolarHBondContact O-N 3.41Å; I147-L150 VanDerWaalsContact O-N 3.15Å; S148-L150 VanDerWaalsContact C-N 3.28Å; S148-L150 PolarHBondContact O-N 3.08Å; L150-Q152 VanDerWaalsContact C-N 3.26Å; L150-Q152 PolarHBondContact O-N 3.01Å; L150-P153 VanDerWaalsContact O-CD 3.32Å; L150-P153 WeakPolarHBondContact O-CD 3.39Å; L150-P153 WeakPolarHBondContact O-CG 3.49Å
151I84.9Confident83.3Confident98 Ų9854.3 Ų54.350%0.50329%0.29SS..Hα-helixtrans-70.4-28.7179.5-70.4172.1000111I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.49Å; I147-I151 VanDerWaalsContact CG2-CD1 3.49Å; I147-I151 HydrophobicContact CG2-CG1 4.13Å; I147-I151 WeakPolarHBondContact O-CG1 3.49Å; I147-I151 PolarHBondContact O-N 3.46Å; S148-I151 PolarHBondContact O-N 3.32Å; I151-M154 CarbonylContact O-C 3.57Å; I151-M154 WeakPolarHBondContact O-CB 3.49Å; I151-M154 PolarHBondContact O-N 2.91Å; I151-M154 VanDerWaalsContact O-N 3.11Å; I151-A155 HydrophobicContact CG2-CB 4.42Å; I151-A155 WeakPolarHBondContact O-CB 3.28Å; I151-A155 PolarHBondContact O-N 3.47Å
152Q82.8Confident83.3Confident54 Ų5454 Ų5425%0.25229%0.294SS..Hα-helixtrans-55.7-49.7-173.6-163.516755.800116S148 L150 M154 A155 L156 Y221S148-Q152 WeakPolarHBondContact O-CB 3.3Å; S148-Q152 PolarHBondContact O-N 3.44Å; L150-Q152 VanDerWaalsContact C-N 3.26Å; L150-Q152 PolarHBondContact O-N 3.01Å; Q152-M154 VanDerWaalsContact C-N 3.29Å; Q152-M154 PolarHBondContact O-N 3.17Å; Q152-A155 PolarHBondContact O-N 3.49Å; Q152-L156 PolarHBondContact O-N 2.98Å; Q152-Y221 HydrophobicContact CG-CE1 4.01Å; Q152-Y221 HydrophobicContact CG-CE2 3.95Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.41Å; Q152-Y221 PolarHBondContact NE2-OH 2.88Å
153P78.8Confident83.7Confident11 Ų1154.7 Ų54.77%0.07130%0.297CS..Hα-helixtrans-65-34174.824.7-34.9000112.4W109 L149 L150 L156 A157W109-P153 HydrophobicContact CB-CB 3.88Å; W109-P153 HydrophobicContact CB-CG 4.35Å; W109-P153 HydrophobicContact CD2-CB 4.31Å; W109-P153 HydrophobicContact CD2-CG 3.8Å; W109-P153 HydrophobicContact CE3-CG 4.3Å; W109-P153 HydrophobicContact CG-CB 3.85Å; W109-P153 HydrophobicContact CG-CG 3.8Å; L149-P153 WeakPolarHBondContact O-CD 3.09Å; L150-P153 VanDerWaalsContact O-CD 3.32Å; L150-P153 WeakPolarHBondContact O-CD 3.39Å; L150-P153 WeakPolarHBondContact O-CG 3.49Å; P153-L156 PolarHBondContact O-N 3.47Å; P153-A157 PolarHBondContact O-N 3.31Å; P153-A157 VanDerWaalsContact O-N 3.14Å
154M83.6Confident83.8Confident83 Ų8350.8 Ų50.841%0.40928%0.276SS..Hα-helixtrans-67.1-45.5176.2-171.563.2168.500110.9L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD2-CE 4.35Å; L102-M154 HydrophobicContact CD1-SD 3.63Å; L102-M154 HydrophobicContact CD2-SD 4.42Å; I151-M154 CarbonylContact O-C 3.57Å; I151-M154 WeakPolarHBondContact O-CB 3.49Å; I151-M154 PolarHBondContact O-N 2.91Å; I151-M154 VanDerWaalsContact O-N 3.11Å; Q152-M154 VanDerWaalsContact C-N 3.29Å; Q152-M154 PolarHBondContact O-N 3.17Å; M154-L156 VanDerWaalsContact C-N 3.29Å; M154-L156 PolarHBondContact O-N 3.18Å; M154-A157 PolarHBondContact O-N 2.98Å; M154-V158 HydrophobicContact CE-CG2 4.4Å; M154-V158 HydrophobicContact CG-CG2 4.42Å; M154-V158 WeakPolarHBondContact O-CB 3.12Å; M154-V158 VanDerWaalsContact O-CG2 3.28Å; M154-V158 WeakPolarHBondContact O-CG2 3.43Å; M154-V158 PolarHBondContact O-N 3.45Å; M154-V158 HydrophobicContact SD-CG2 4.48Å
155A84.8Confident83.9Confident41 Ų4148.1 Ų48.134%0.33926%0.264SS..Hα-helixtrans-61.6-37.9177.800000112.1I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.42Å; I151-A155 WeakPolarHBondContact O-CB 3.28Å; I151-A155 PolarHBondContact O-N 3.47Å; Q152-A155 PolarHBondContact O-N 3.49Å; A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.16Å; A155-R159 PolarHBondContact O-N 3.42Å
156L79.8Confident84.1Confident9 Ų947.9 Ų47.95%0.04727%0.272CS..Hα-helixtrans-62.6-48.2175.3-16487.8000111.7A105 Q152 P153 M154 R159 L160 F214 L217 V218A105-L156 HydrophobicContact CB-CD2 4.33Å; Q152-L156 PolarHBondContact O-N 2.98Å; P153-L156 PolarHBondContact O-N 3.47Å; M154-L156 VanDerWaalsContact C-N 3.29Å; M154-L156 PolarHBondContact O-N 3.18Å; L156-R159 PolarHBondContact O-N 3.37Å; L156-L160 PolarHBondContact O-N 2.99Å; L156-F214 HydrophobicContact CD1-CD2 4.23Å; L156-F214 HydrophobicContact CD1-CG 4.43Å; L156-F214 HydrophobicContact CD2-CD1 3.99Å; L156-F214 HydrophobicContact CD2-CD2 3.36Å; L156-F214 HydrophobicContact CD2-CE1 3.78Å; L156-F214 HydrophobicContact CD2-CE2 3.14Å; L156-F214 HydrophobicContact CD2-CG 3.79Å; L156-F214 HydrophobicContact CD2-CZ 3.38Å; L156-F214 HydrophobicContact CG-CD2 3.45Å; L156-F214 VanDerWaalsContact CG-CD2 3.45Å; L156-F214 HydrophobicContact CG-CE2 3.63Å; L156-F214 HydrophobicContact CG-CG 4.07Å; L156-F214 HydrophobicContact CG-CZ 4.35Å; L156-L217 HydrophobicContact CD1-CB 3.9Å; L156-L217 HydrophobicContact CD1-CD1 3.46Å; L156-L217 VanDerWaalsContact CD1-CD1 3.46Å; L156-L217 HydrophobicContact CD1-CG 4.32Å; L156-V218 HydrophobicContact CD2-CG2 4.27Å
157A83.2Confident84.5Confident0 Ų045.7 Ų45.70%026%0.26CS..Hα-helixtrans-64.5-45.1179.700000111.9L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.33Å; N101-A157 HydrophobicContact CB-CB 3.92Å; N101-A157 PolarHBondContact ND2-O 3.38Å; L102-A157 HydrophobicContact CB-CB 4.46Å; L102-A157 HydrophobicContact CD1-CB 4.26Å; A105-A157 HydrophobicContact CB-CB 4.28Å; P153-A157 PolarHBondContact O-N 3.31Å; P153-A157 VanDerWaalsContact O-N 3.14Å; M154-A157 PolarHBondContact O-N 2.98Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 2.92Å; A157-L160 PolarHBondContact O-N 2.86Å; A157-T161 PolarHBondContact O-N 3.49Å; A157-T161 VanDerWaalsContact O-N 3.11Å; A157-T161 PolarHBondContact O-OG1 2.61Å
158V86.5Confident84.6Confident61 Ų6143.1 Ų43.137%0.3725%0.246SC..Hα-helixtrans-63.4-38.9177.7172.50000111.3L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.89Å; M154-V158 HydrophobicContact CE-CG2 4.4Å; M154-V158 HydrophobicContact CG-CG2 4.42Å; M154-V158 WeakPolarHBondContact O-CB 3.12Å; M154-V158 VanDerWaalsContact O-CG2 3.28Å; M154-V158 WeakPolarHBondContact O-CG2 3.43Å; M154-V158 PolarHBondContact O-N 3.45Å; M154-V158 HydrophobicContact SD-CG2 4.48Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 3.36Å; V158-T161 WeakPolarHBondContact CA-OG1 3.47Å; V158-T161 PolarHBondContact O-N 2.87Å; V158-T161 PolarHBondContact O-OG1 3.29Å; V158-A162 WeakPolarHBondContact O-CB 3.28Å; V158-A162 PolarHBondContact O-N 3.16Å
159R87.1Confident84.9Confident93 Ų9342.5 Ų42.535%0.35124%0.238SC..Hα-helixtrans-61-42.6177.9-167.6-173.1-60.8149.92.8111.8A155 L156 A157 N163 Q210A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.16Å; A155-R159 PolarHBondContact O-N 3.42Å; L156-R159 PolarHBondContact O-N 3.37Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 2.92Å; R159-N163 WeakPolarHBondContact O-CB 3.22Å; R159-N163 VanDerWaalsContact O-CG 3.27Å; R159-N163 PolarHBondContact O-N 2.92Å; R159-N163 PolarHBondContact O-ND2 3.47Å; R159-Q210 VanDerWaalsContact C-NE2 3.26Å; R159-Q210 VanDerWaalsContact CG-NE2 3.33Å
160L81.8Confident85.2Confident0 Ų044.2 Ų44.20%025%0.247CC..Hα-helixtrans-67.7-44.5179.5179.366.5000110.9I79 N83 T95 N101 L156 A157 V158 I164 Q210 F214I79-L160 HydrophobicContact CG2-CD1 4.08Å; I79-L160 HydrophobicContact CG2-CD2 4.15Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.07Å; T95-L160 HydrophobicContact CG2-CD2 4.46Å; N101-L160 HydrophobicContact CB-CD2 4.37Å; N101-L160 VanDerWaalsContact CG-CD2 3.47Å; N101-L160 WeakPolarHBondContact ND2-CB 3.36Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.46Å; N101-L160 VanDerWaalsContact ND2-CG 3.34Å; N101-L160 WeakPolarHBondContact ND2-CG 3.43Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.33Å; L156-L160 PolarHBondContact O-N 2.99Å; A157-L160 PolarHBondContact O-N 2.86Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 3.36Å; L160-I164 HydrophobicContact CD1-CD1 3.65Å; L160-I164 HydrophobicContact CG-CD1 4.21Å; L160-I164 WeakPolarHBondContact O-CG1 3.44Å; L160-I164 PolarHBondContact O-N 2.82Å; L160-Q210 VanDerWaalsContact CA-NE2 3.27Å; L160-Q210 HydrophobicContact CB-CG 4.27Å; L160-Q210 HydrophobicContact CD1-CB 4.36Å; L160-Q210 HydrophobicContact CD1-CG 3.39Å; L160-Q210 HydrophobicContact CG-CG 4.42Å; L160-F214 HydrophobicContact CD2-CD2 4.44Å
161T85.4Confident85.6Confident13 Ų1340.4 Ų40.48%0.0823%0.227CC..Hα-helixtrans-65.5-46.4177.448.80000112.2T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.17Å; L98-T161 VanDerWaalsContact CA-CG2 3.45Å; L98-T161 HydrophobicContact CB-CG2 4.03Å; L98-T161 HydrophobicContact CD1-CG2 4Å; N101-T161 HydrophobicContact CB-CG2 4.3Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.37Å; N101-T161 PolarHBondContact ND2-N 2.97Å; A157-T161 PolarHBondContact O-N 3.49Å; A157-T161 VanDerWaalsContact O-N 3.11Å; A157-T161 PolarHBondContact O-OG1 2.61Å; V158-T161 WeakPolarHBondContact CA-OG1 3.47Å; V158-T161 PolarHBondContact O-N 2.87Å; V158-T161 PolarHBondContact O-OG1 3.29Å; T161-N163 PolarHBondContact O-N 3.46Å; T161-I164 PolarHBondContact O-N 3.15Å; T161-T165 VanDerWaalsContact O-CB 3.28Å; T161-T165 WeakPolarHBondContact O-CB 3.1Å; T161-T165 WeakPolarHBondContact O-CG2 3.01Å; T161-T165 PolarHBondContact O-N 2.83Å; T161-T165 PolarHBondContact O-OG1 2.83Å
162A85.1Confident85.8Confident41 Ų4139.9 Ų39.934%0.33922%0.222SC..Hα-helixtrans-63.6-44-172.600000111V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.28Å; V158-A162 PolarHBondContact O-N 3.16Å; A162-T165 PolarHBondContact O-OG1 3.14Å; A162-A166 WeakPolarHBondContact O-CB 3.26Å; A162-A166 PolarHBondContact O-N 3.33Å
163N88.4Confident86.2Confident62 Ų6241.5 Ų41.533%0.33223%0.232SC..Hα-helixtrans-64.1-48.8-179.5-69.5-6.9000111.3R159 T161 G167 V206 Q210R159-N163 WeakPolarHBondContact O-CB 3.22Å; R159-N163 VanDerWaalsContact O-CG 3.27Å; R159-N163 PolarHBondContact O-N 2.92Å; R159-N163 PolarHBondContact O-ND2 3.47Å; T161-N163 PolarHBondContact O-N 3.46Å; N163-G167 PolarHBondContact O-N 3.11Å; N163-V206 HydrophobicContact CB-CG1 4.07Å; N163-Q210 PolarHBondContact ND2-OE1 3.15Å
164I85.6Confident86.7Confident6 Ų642.6 Ų42.63%0.03124%0.237CC..Hα-helixtrans-70.7-39.7-176.7-60173.6000111.5N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.25Å; N83-I164 VanDerWaalsContact CG-CD1 3.4Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.36Å; T93-I164 HydrophobicContact CG2-CG2 4.33Å; T95-I164 VanDerWaalsContact OG1-CD1 3.31Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.28Å; T96-I164 HydrophobicContact CG2-CB 4.42Å; T96-I164 HydrophobicContact CG2-CG2 3.69Å; L160-I164 HydrophobicContact CD1-CD1 3.65Å; L160-I164 HydrophobicContact CG-CD1 4.21Å; L160-I164 WeakPolarHBondContact O-CG1 3.44Å; L160-I164 PolarHBondContact O-N 2.82Å; T161-I164 PolarHBondContact O-N 3.15Å; I164-H168 WeakPolarHBondContact O-CB 3.46Å; I164-H168 PolarHBondContact O-CD2 3.03Å; I164-H168 PolarHBondContact O-N 3.38Å; I164-H168 VanDerWaalsContact O-N 3.08Å
165T88.3Confident87Confident36 Ų3639.8 Ų39.822%0.22123%0.23CC..Hα-helixtrans-67.2-46.3177.253.30000111.8F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.38Å; F9-T165 HydrophobicContact CE1-CG2 4.08Å; T96-T165 HydrophobicContact CG2-CG2 3.74Å; T161-T165 VanDerWaalsContact O-CB 3.28Å; T161-T165 WeakPolarHBondContact O-CB 3.1Å; T161-T165 WeakPolarHBondContact O-CG2 3.01Å; T161-T165 PolarHBondContact O-N 2.83Å; T161-T165 PolarHBondContact O-OG1 2.83Å; A162-T165 PolarHBondContact O-OG1 3.14Å; T165-H168 PolarHBondContact O-N 3.19Å; T165-L169 WeakPolarHBondContact O-CB 3.41Å; T165-L169 WeakPolarHBondContact O-CG 3.24Å; T165-L169 PolarHBondContact O-N 3.01Å
166A87.6Confident87.2Confident53 Ų5340.6 Ų40.644%0.43823%0.233SC..Hα-helixtrans-63.7-43178.300000111.3A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.26Å; A162-A166 PolarHBondContact O-N 3.33Å; A166-L169 PolarHBondContact O-N 2.99Å; A166-L170 VanDerWaalsContact O-CB 3.26Å; A166-L170 WeakPolarHBondContact O-CB 3.29Å; A166-L170 PolarHBondContact O-N 3.27Å
167G88.3Confident87.6Confident6 Ų642 Ų426%0.06225%0.245CC..Hα-helixtrans-59.2-48.5176.400000112.7N163 L170 M171 E203N163-G167 PolarHBondContact O-N 3.11Å; G167-L170 PolarHBondContact O-N 3.28Å; G167-M171 WeakPolarHBondContact O-CG 3.13Å; G167-M171 PolarHBondContact O-N 3.42Å; G167-E203 WeakPolarHBondContact CA-OE2 3.48Å
168H87.9Confident87.9Confident31 Ų3142.9 Ų42.914%0.14425%0.251CS..Hα-helixtrans-62.5-42.7175.7-93.7-88.3000113.3F9 G86 I164 T165 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.11Å; F9-H168 HydrophobicContact CZ-CB 3.83Å; G86-H168 PolarHBondContact O-CE1 3.35Å; G86-H168 PolarHBondContact O-NE2 2.94Å; I164-H168 WeakPolarHBondContact O-CB 3.46Å; I164-H168 PolarHBondContact O-CD2 3.03Å; I164-H168 PolarHBondContact O-N 3.38Å; I164-H168 VanDerWaalsContact O-N 3.08Å; T165-H168 PolarHBondContact O-N 3.19Å; H168-L170 VanDerWaalsContact C-N 3.33Å; H168-M171 PolarHBondContact O-N 2.93Å; H168-H172 WeakPolarHBondContact O-CB 3.43Å; H168-H172 PolarHBondContact O-N 3.31Å
169L88.3Confident88.1Confident43 Ų4346.1 Ų46.123%0.22527%0.265CS..Hα-helixtrans-61.8-43.3175.7-78.2170.4000111.2F6 F9 T165 A166 H172 L173F6-L169 HydrophobicContact CD1-CD2 4.39Å; F6-L169 HydrophobicContact CE1-CD1 4.15Å; F6-L169 HydrophobicContact CE1-CD2 4.02Å; F6-L169 HydrophobicContact CZ-CD2 4.45Å; F9-L169 HydrophobicContact CE2-CD1 4.46Å; F9-L169 HydrophobicContact CE2-CD2 3.65Å; F9-L169 HydrophobicContact CE2-CG 3.75Å; F9-L169 HydrophobicContact CZ-CD2 4.27Å; F9-L169 HydrophobicContact CZ-CG 3.9Å; T165-L169 WeakPolarHBondContact O-CB 3.41Å; T165-L169 WeakPolarHBondContact O-CG 3.24Å; T165-L169 PolarHBondContact O-N 3.01Å; A166-L169 PolarHBondContact O-N 2.99Å; L169-H172 PolarHBondContact O-N 3.12Å; L169-L173 WeakPolarHBondContact O-CB 3.24Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.32Å; L169-L173 PolarHBondContact O-N 3.05Å
170L89.9Confident88.1Confident79 Ų7943.9 Ų43.941%0.41427%0.267SS..Hα-helixtrans-67.9-41.3-178.9-156.6152.5000111.1A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.26Å; A166-L170 WeakPolarHBondContact O-CB 3.29Å; A166-L170 PolarHBondContact O-N 3.27Å; G167-L170 PolarHBondContact O-N 3.28Å; H168-L170 VanDerWaalsContact C-N 3.33Å; L170-H172 VanDerWaalsContact C-N 3.34Å; L170-H172 PolarHBondContact O-N 2.98Å; L170-L173 PolarHBondContact O-N 3.01Å; L170-I174 HydrophobicContact CD2-CD1 3.47Å; L170-I174 VanDerWaalsContact CD2-CD1 3.47Å; L170-I174 HydrophobicContact CD2-CG1 4.07Å; L170-I174 WeakPolarHBondContact O-CG1 3.41Å; L170-I174 PolarHBondContact O-N 3.35Å; L170-L199 HydrophobicContact CB-CD2 4.39Å; L170-L199 HydrophobicContact CD2-CD1 3.63Å; L170-L199 HydrophobicContact CD2-CD2 3.21Å; L170-L199 HydrophobicContact CD2-CG 4.03Å; L170-L199 HydrophobicContact CG-CD2 4.38Å
171M90.4Very high88.4Confident29 Ų2946.9 Ų46.914%0.14328%0.282CS..Hα-helixtrans-58.9-43.4171.4-75.8-171.2-68.500111.9L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 3.99Å; G167-M171 WeakPolarHBondContact O-CG 3.13Å; G167-M171 PolarHBondContact O-N 3.42Å; H168-M171 PolarHBondContact O-N 2.93Å; M171-G175 PolarHBondContact O-N 3.01Å; M171-L199 HydrophobicContact CB-CD2 4.29Å; M171-L199 HydrophobicContact CG-CD2 3.54Å; M171-L199 HydrophobicContact CG-CG 4.18Å; M171-T200 HydrophobicContact SD-CG2 3.99Å; M171-E203 HydrophobicContact CE-CG 4.13Å
172H89.1Confident88.5Confident86 Ų8649.3 Ų49.340%0.39830%0.299SS..Hα-helixtrans-68.2-41.1178.7-169.1-56.3000112.2L5 H168 L169 L170 G175 S176L5-H172 VanDerWaalsContact CD2-CE1 3.45Å; L5-H172 WeakPolarHBondContact CD2-CE1 2.92Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.28Å; H168-H172 WeakPolarHBondContact O-CB 3.43Å; H168-H172 PolarHBondContact O-N 3.31Å; L169-H172 PolarHBondContact O-N 3.12Å; L170-H172 VanDerWaalsContact C-N 3.34Å; L170-H172 PolarHBondContact O-N 2.98Å; H172-G175 PolarHBondContact O-N 3.46Å; H172-S176 WeakPolarHBondContact O-CB 3.26Å; H172-S176 PolarHBondContact O-N 3Å; H172-S176 PolarHBondContact O-OG 2.87Å
173L89.8Confident88.6Confident89 Ų8953.1 Ų53.147%0.46632%0.318SS..Hα-helixtrans-63.9-48.2178.4-74172.1000111.1L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 4.1Å; L5-L173 HydrophobicContact CD2-CD2 4.23Å; L169-L173 WeakPolarHBondContact O-CB 3.24Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.32Å; L169-L173 PolarHBondContact O-N 3.05Å; L170-L173 PolarHBondContact O-N 3.01Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 2.98Å; L173-S176 PolarHBondContact O-N 2.88Å; L173-S176 PolarHBondContact O-OG 3.46Å; L173-A177 PolarHBondContact O-N 2.98Å
174I90.9Very high88.5Confident33 Ų3355.1 Ų55.117%0.16933%0.328CS..Hα-helixtrans-64.2-40.8176.4-64.5-173.5000110.6L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.47Å; L170-I174 VanDerWaalsContact CD2-CD1 3.47Å; L170-I174 HydrophobicContact CD2-CG1 4.07Å; L170-I174 WeakPolarHBondContact O-CG1 3.41Å; L170-I174 PolarHBondContact O-N 3.35Å; I174-S176 VanDerWaalsContact C-N 3.32Å; I174-S176 PolarHBondContact O-N 3.4Å; I174-A177 CarbonylContact O-C 3.57Å; I174-A177 WeakPolarHBondContact O-CB 3.38Å; I174-A177 PolarHBondContact O-N 3.35Å; I174-A177 VanDerWaalsContact O-N 3.13Å; I174-T178 HydrophobicContact CG2-CG2 4.38Å; I174-T178 WeakPolarHBondContact O-CG2 3.45Å; I174-T178 PolarHBondContact O-N 3.48Å; I174-I192 HydrophobicContact CG2-CG2 3.79Å; I174-I195 HydrophobicContact CD1-CG2 4.06Å; I174-L196 HydrophobicContact CB-CD1 4.21Å; I174-L196 HydrophobicContact CG2-CB 3.95Å; I174-L196 HydrophobicContact CG2-CD1 3.99Å; I174-L199 HydrophobicContact CD1-CD2 4.15Å
175G89.6Confident88.6Confident25 Ų2559.4 Ų59.426%0.25835%0.351SS..Hα-helixtrans-61.3-36.4174.800000113.7M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 3.01Å; H172-G175 PolarHBondContact O-N 3.46Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 2.98Å; G175-T178 WeakPolarHBondContact CA-OG1 3.28Å; G175-T178 PolarHBondContact O-OG1 3.08Å; G175-L179 PolarHBondContact O-N 3.26Å
176S88.7Confident88.5Confident57 Ų5764.6 Ų64.640%0.39938%0.377SS..Hα-helixtrans-70.7-35.2173.472.10000112.2H172 L173 I174 L179 A180H172-S176 WeakPolarHBondContact O-CB 3.26Å; H172-S176 PolarHBondContact O-N 3Å; H172-S176 PolarHBondContact O-OG 2.87Å; L173-S176 PolarHBondContact O-N 2.88Å; L173-S176 PolarHBondContact O-OG 3.46Å; I174-S176 VanDerWaalsContact C-N 3.32Å; I174-S176 PolarHBondContact O-N 3.4Å; S176-L179 PolarHBondContact O-N 3.46Å; S176-A180 WeakPolarHBondContact O-CB 3.44Å; S176-A180 PolarHBondContact O-N 3.27Å
177A88.1Confident88.6Confident38 Ų3866.6 Ų66.631%0.31439%0.385SS..Hα-helixtrans-69.3-40.6175.900000112L173 I174 L179 A180 M181L173-A177 PolarHBondContact O-N 2.98Å; I174-A177 CarbonylContact O-C 3.57Å; I174-A177 WeakPolarHBondContact O-CB 3.38Å; I174-A177 PolarHBondContact O-N 3.35Å; I174-A177 VanDerWaalsContact O-N 3.13Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 3.45Å; A177-A180 PolarHBondContact O-N 3.43Å; A177-M181 WeakPolarHBondContact O-CB 3.15Å; A177-M181 WeakPolarHBondContact O-CG 3.49Å; A177-M181 PolarHBondContact O-N 3.35Å
178T90.2Very high88.5Confident19 Ų1968.1 Ų68.112%0.11740%0.395CS..Hα-helixtrans-61-43174.156.80000110.7I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.38Å; I174-T178 WeakPolarHBondContact O-CG2 3.45Å; I174-T178 PolarHBondContact O-N 3.48Å; G175-T178 WeakPolarHBondContact CA-OG1 3.28Å; G175-T178 PolarHBondContact O-OG1 3.08Å; T178-M181 PolarHBondContact O-N 2.96Å; T178-S182 WeakPolarHBondContact O-CB 3.24Å; T178-S182 PolarHBondContact O-N 3.48Å; T178-I192 HydrophobicContact CG2-CB 3.91Å; T178-I192 HydrophobicContact CG2-CG2 3.38Å
179L89.2Confident88.7Confident129 Ų12967.8 Ų67.868%0.67540%0.395SS*.Hα-helixtrans-65.5-42.3178.9-164.8132.4000111.8G175 S176 A177 S182G175-L179 PolarHBondContact O-N 3.26Å; S176-L179 PolarHBondContact O-N 3.46Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 3.45Å; L179-S182 PolarHBondContact O-N 2.85Å; L179-S182 PolarHBondContact O-OG 3.45Å
180A88.5Confident88.8Confident47 Ų4771.4 Ų71.439%0.38841%0.414SS..Hα-helixtrans-63.7-45.5174.700000112.2S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.44Å; S176-A180 PolarHBondContact O-N 3.27Å; A177-A180 PolarHBondContact O-N 3.43Å; A180-S182 VanDerWaalsContact C-N 3.29Å; A180-S182 PolarHBondContact O-N 3.31Å; A180-T183 PolarHBondContact O-N 3.35Å; A180-T183 PolarHBondContact O-OG1 3.27Å
181M87.1Confident89Confident62 Ų6272.6 Ų72.631%0.30542%0.42SS..Hα-helixtrans-69.5-25.4-178.9-67.6-64.1116.600113.3A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.15Å; A177-M181 WeakPolarHBondContact O-CG 3.49Å; A177-M181 PolarHBondContact O-N 3.35Å; T178-M181 PolarHBondContact O-N 2.96Å; M181-T183 PolarHBondContact O-N 2.97Å; M181-T183 VanDerWaalsContact O-N 3.15Å; M181-I184 HydrophobicContact CE-CD1 3.66Å; M181-I184 PolarHBondContact O-N 3.36Å; M181-I184 HydrophobicContact SD-CD1 4.13Å; M181-N185 PolarHBondContact O-N 2.88Å; M181-N185 VanDerWaalsContact O-N 3.08Å; M181-T189 PolarHBondContact O-OG1 3.31Å; M181-T189 VanDerWaalsContact O-OG1 3.12Å; M181-I192 HydrophobicContact CB-CD1 4.17Å; M181-I192 HydrophobicContact CG-CD1 3.65Å
182S87.1Confident89.1Confident64 Ų6473.2 Ų73.245%0.44842%0.423SS..Hα-helixtrans-57.3-29.3176.876.70000113T178 L179 A180 T189T178-S182 WeakPolarHBondContact O-CB 3.24Å; T178-S182 PolarHBondContact O-N 3.48Å; L179-S182 PolarHBondContact O-N 2.85Å; L179-S182 PolarHBondContact O-OG 3.45Å; A180-S182 VanDerWaalsContact C-N 3.29Å; A180-S182 PolarHBondContact O-N 3.31Å; S182-T189 VanDerWaalsContact CA-OG1 3.29Å; S182-T189 WeakPolarHBondContact CA-OG1 3.49Å; S182-T189 PolarHBondContact N-OG1 3.37Å
183T86.8Confident89.2Confident121 Ų12174.2 Ų74.274%0.74243%0.427SS*.THydrogen-bonded Turntrans-81.7-19.2178.566.60000113.7A180 M181A180-T183 PolarHBondContact O-N 3.35Å; A180-T183 PolarHBondContact O-OG1 3.27Å; M181-T183 PolarHBondContact O-N 2.97Å; M181-T183 VanDerWaalsContact O-N 3.15Å
184I87.1Confident89.4Confident105 Ų10573.6 Ų73.654%0.53843%0.427SS..THydrogen-bonded Turntrans-98.1-61.7-173.3-57.1172.3000110M181M181-I184 HydrophobicContact CE-CD1 3.66Å; M181-I184 PolarHBondContact O-N 3.36Å; M181-I184 HydrophobicContact SD-CD1 4.13Å
185N87.8Confident89.6Confident96 Ų9676 Ų7651%0.51344%0.439SS..  trans-145.1126.6-172.7-81.8-19.6000111.2M181 S188 T189M181-N185 PolarHBondContact O-N 2.88Å; M181-N185 VanDerWaalsContact O-N 3.08Å; N185-S188 WeakPolarHBondContact CB-OG 3.31Å; N185-S188 PolarHBondContact O-OG 2.9Å; N185-S188 VanDerWaalsContact O-OG 3.04Å; N185-T189 PolarHBondContact O-N 3.29Å; N185-T189 PolarHBondContact O-OG1 2.87Å
186L86.9Confident89.7Confident144 Ų14476.3 Ų76.375%0.75444%0.435SS*.Hα-helixtrans-63.3-44.5176.6-15884.8000114.4S188 T189 L190L186-S188 PolarHBondContact O-N 3.36Å; L186-T189 WeakPolarHBondContact O-CB 3.46Å; L186-T189 PolarHBondContact O-N 2.86Å; L186-L190 PolarHBondContact O-N 3.38Å
187P88.7Confident89.9Confident95 Ų9577.3 Ų77.362%0.61744%0.435SS*.Hα-helixtrans-69.6-36.1-174.825.7-33.5000113T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.33Å; P187-L190 PolarHBondContact O-N 2.96Å; P187-I191 PolarHBondContact O-N 3.32Å
188S87.1Confident90.3Very high38 Ų3881.2 Ų81.227%0.26645%0.45SS..Hα-helixtrans-67.5-35.6174.654.40000111.9N185 L186 L190 I191 I192N185-S188 WeakPolarHBondContact CB-OG 3.31Å; N185-S188 PolarHBondContact O-OG 2.9Å; N185-S188 VanDerWaalsContact O-OG 3.04Å; L186-S188 PolarHBondContact O-N 3.36Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 2.86Å; S188-I191 PolarHBondContact O-N 3.44Å; S188-I192 WeakPolarHBondContact O-CG1 3.26Å; S188-I192 PolarHBondContact O-N 3.43Å; S188-I192 VanDerWaalsContact O-N 3.1Å
189T91.6Very high90.4Very high24 Ų2481.4 Ų81.415%0.14745%0.45CS..Hα-helixtrans-60.7-41.8175.1-59.10000111.6M181 S182 N185 L186 P187 I191 I192 F193M181-T189 PolarHBondContact O-OG1 3.31Å; M181-T189 VanDerWaalsContact O-OG1 3.12Å; S182-T189 VanDerWaalsContact CA-OG1 3.29Å; S182-T189 WeakPolarHBondContact CA-OG1 3.49Å; S182-T189 PolarHBondContact N-OG1 3.37Å; N185-T189 PolarHBondContact O-N 3.29Å; N185-T189 PolarHBondContact O-OG1 2.87Å; L186-T189 WeakPolarHBondContact O-CB 3.46Å; L186-T189 PolarHBondContact O-N 2.86Å; P187-T189 VanDerWaalsContact C-N 3.33Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 2.99Å; T189-I192 PolarHBondContact O-N 2.87Å; T189-F193 VanDerWaalsContact O-CB 3.28Å; T189-F193 WeakPolarHBondContact O-CB 3.41Å; T189-F193 PolarHBondContact O-N 2.99Å
190L90.8Very high90.5Very high120 Ų12077.6 Ų77.663%0.62843%0.432SS*.Hα-helixtrans-60.4-42.1177.8-157.499.1000111.5L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 3.38Å; P187-L190 PolarHBondContact O-N 2.96Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 2.86Å; L190-F193 PolarHBondContact O-N 2.8Å; L190-T194 WeakPolarHBondContact O-CG2 3.1Å; L190-T194 PolarHBondContact O-N 3.44Å
191I92.5Very high90.7Very high104 Ų10480.2 Ų80.253%0.53344%0.439SS..Hα-helixtrans-65-44.4178.7-63165.2000111.1P187 S188 T189 F193 T194 I195P187-I191 PolarHBondContact O-N 3.32Å; S188-I191 PolarHBondContact O-N 3.44Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 2.99Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.35Å; I191-T194 PolarHBondContact O-N 2.97Å; I191-T194 PolarHBondContact O-OG1 3.38Å; I191-I195 HydrophobicContact CG2-CD1 4.34Å; I191-I195 WeakPolarHBondContact O-CG1 3.31Å; I191-I195 PolarHBondContact O-N 2.94Å
192I92.9Very high90.9Very high41 Ų4182.1 Ų82.121%0.2145%0.449CS..Hα-helixtrans-70.5-33.3179.9-57.3167.3000110.2I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.79Å; T178-I192 HydrophobicContact CG2-CB 3.91Å; T178-I192 HydrophobicContact CG2-CG2 3.38Å; M181-I192 HydrophobicContact CB-CD1 4.17Å; M181-I192 HydrophobicContact CG-CD1 3.65Å; S188-I192 WeakPolarHBondContact O-CG1 3.26Å; S188-I192 PolarHBondContact O-N 3.43Å; S188-I192 VanDerWaalsContact O-N 3.1Å; T189-I192 PolarHBondContact O-N 2.87Å; I192-I195 WeakPolarHBondContact O-CB 3.48Å; I192-I195 PolarHBondContact O-N 3.4Å; I192-L196 PolarHBondContact O-N 2.97Å
193F92.4Very high91.1Very high107 Ų10779.7 Ų79.747%0.46943%0.431SS..Hα-helixtrans-66.1-39.3175.2-173.4-105.9000112.7T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.28Å; T189-F193 WeakPolarHBondContact O-CB 3.41Å; T189-F193 PolarHBondContact O-N 2.99Å; L190-F193 PolarHBondContact O-N 2.8Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.35Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.13Å; F193-L196 HydrophobicContact CD2-CD2 4.43Å; F193-L196 WeakPolarHBondContact O-CB 3.34Å; F193-L196 PolarHBondContact O-N 3.47Å; F193-I197 HydrophobicContact CD1-CD1 3.89Å; F193-I197 HydrophobicContact CE1-CD1 3.53Å; F193-I197 HydrophobicContact CE1-CG1 4.26Å; F193-I197 HydrophobicContact CZ-CD1 4.14Å; F193-I197 HydrophobicContact CZ-CG1 4.46Å; F193-I197 PolarHBondContact O-N 3.23Å
194T93.6Very high91.3Very high76 Ų7677.9 Ų77.947%0.46642%0.416SS..Hα-helixtrans-64.6-37.1173.557.10000111.8L190 I191 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.1Å; L190-T194 PolarHBondContact O-N 3.44Å; I191-T194 PolarHBondContact O-N 2.97Å; I191-T194 PolarHBondContact O-OG1 3.38Å; T194-I197 PolarHBondContact O-N 2.82Å; T194-L198 PolarHBondContact O-N 3.48Å
195I94.2Very high91.5Very high84 Ų8475.1 Ų75.143%0.43141%0.408SS..Hα-helixtrans-62.2-42.5172.8-65.4166.9000111I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.06Å; I191-I195 HydrophobicContact CG2-CD1 4.34Å; I191-I195 WeakPolarHBondContact O-CG1 3.31Å; I191-I195 PolarHBondContact O-N 2.94Å; I192-I195 WeakPolarHBondContact O-CB 3.48Å; I192-I195 PolarHBondContact O-N 3.4Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.13Å; I195-I197 PolarHBondContact O-N 3.2Å; I195-L198 PolarHBondContact O-N 2.74Å; I195-L199 WeakPolarHBondContact O-CB 3.5Å; I195-L199 PolarHBondContact O-N 2.97Å
196L93.3Very high91.7Very high32 Ų3272.3 Ų72.317%0.16840%0.395CS..Hα-helixtrans-59.5-45.3176.5-177.767000111.5I174 I192 F193 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.21Å; I174-L196 HydrophobicContact CG2-CB 3.95Å; I174-L196 HydrophobicContact CG2-CD1 3.99Å; I192-L196 PolarHBondContact O-N 2.97Å; F193-L196 HydrophobicContact CD2-CD2 4.43Å; F193-L196 WeakPolarHBondContact O-CB 3.34Å; F193-L196 PolarHBondContact O-N 3.47Å; L196-L198 PolarHBondContact O-N 3.45Å; L196-L199 WeakPolarHBondContact O-CB 3.26Å; L196-L199 PolarHBondContact O-N 3.4Å; L196-T200 VanDerWaalsContact O-CG2 3.24Å; L196-T200 WeakPolarHBondContact O-CG2 3.39Å; L196-T200 PolarHBondContact O-N 3.12Å
197I92.8Very high91.8Very high77 Ų7765.7 Ų65.740%0.39536%0.361SS..Hα-helixtrans-60.3-47.9176.4-67.3167.7000110.3F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.89Å; F193-I197 HydrophobicContact CE1-CD1 3.53Å; F193-I197 HydrophobicContact CE1-CG1 4.26Å; F193-I197 HydrophobicContact CZ-CD1 4.14Å; F193-I197 HydrophobicContact CZ-CG1 4.46Å; F193-I197 PolarHBondContact O-N 3.23Å; T194-I197 PolarHBondContact O-N 2.82Å; I195-I197 PolarHBondContact O-N 3.2Å; I197-L199 VanDerWaalsContact C-N 3.27Å; I197-L199 PolarHBondContact O-N 2.88Å; I197-T200 PolarHBondContact O-N 3.15Å; I197-T200 VanDerWaalsContact O-N 3.12Å; I197-T200 PolarHBondContact O-OG1 3.46Å; I197-I201 HydrophobicContact CG2-CD1 4.13Å; I197-I201 WeakPolarHBondContact O-CG1 3.47Å; I197-I201 PolarHBondContact O-N 3.44Å; I197-I201 VanDerWaalsContact O-N 3.12Å
198L94.8Very high91.9Very high120 Ų12066.5 Ų66.563%0.62836%0.36SS*.Hα-helixtrans-59.3-41.2179.4-176.564.3000111.7T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 3.48Å; I195-L198 PolarHBondContact O-N 2.74Å; L196-L198 PolarHBondContact O-N 3.45Å; L198-I201 PolarHBondContact O-N 3.35Å; L198-L202 PolarHBondContact O-N 2.97Å
199L93.3Very high92Very high23 Ų2369.1 Ų69.112%0.1237%0.37CS..Hα-helixtrans-62.6-42.2175.6-177.573.5000112L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.39Å; L170-L199 HydrophobicContact CD2-CD1 3.63Å; L170-L199 HydrophobicContact CD2-CD2 3.21Å; L170-L199 HydrophobicContact CD2-CG 4.03Å; L170-L199 HydrophobicContact CG-CD2 4.38Å; M171-L199 HydrophobicContact CB-CD2 4.29Å; M171-L199 HydrophobicContact CG-CD2 3.54Å; M171-L199 HydrophobicContact CG-CG 4.18Å; I174-L199 HydrophobicContact CD1-CD2 4.15Å; I195-L199 WeakPolarHBondContact O-CB 3.5Å; I195-L199 PolarHBondContact O-N 2.97Å; L196-L199 WeakPolarHBondContact O-CB 3.26Å; L196-L199 PolarHBondContact O-N 3.4Å; I197-L199 VanDerWaalsContact C-N 3.27Å; I197-L199 PolarHBondContact O-N 2.88Å; L199-I201 VanDerWaalsContact C-N 3.28Å; L199-I201 PolarHBondContact O-N 3.13Å; L199-L202 HydrophobicContact CD1-CD2 4.47Å; L199-L202 WeakPolarHBondContact O-CB 3.34Å; L199-L202 PolarHBondContact O-N 3.12Å; L199-E203 PolarHBondContact O-N 2.99Å
200T91.3Very high91.9Very high50 Ų5068.5 Ų68.531%0.30737%0.365SS..Hα-helixtrans-62.3-3817866.10000112M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.99Å; L196-T200 VanDerWaalsContact O-CG2 3.24Å; L196-T200 WeakPolarHBondContact O-CG2 3.39Å; L196-T200 PolarHBondContact O-N 3.12Å; I197-T200 PolarHBondContact O-N 3.15Å; I197-T200 VanDerWaalsContact O-N 3.12Å; I197-T200 PolarHBondContact O-OG1 3.46Å; T200-E203 PolarHBondContact O-N 3.04Å; T200-I204 VanDerWaalsContact O-CG1 3.27Å; T200-I204 WeakPolarHBondContact O-CG1 3.32Å; T200-I204 PolarHBondContact O-N 3.18Å
201I92.9Very high91.8Very high102 Ų10262.8 Ų62.852%0.52334%0.335SS..Hα-helixtrans-64.9-43.2175.3-64.5167.5000110.4I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.13Å; I197-I201 WeakPolarHBondContact O-CG1 3.47Å; I197-I201 PolarHBondContact O-N 3.44Å; I197-I201 VanDerWaalsContact O-N 3.12Å; L198-I201 PolarHBondContact O-N 3.35Å; L199-I201 VanDerWaalsContact C-N 3.28Å; L199-I201 PolarHBondContact O-N 3.13Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 2.82Å; I201-I204 PolarHBondContact O-N 3.49Å; I201-A205 PolarHBondContact O-N 2.9Å; I201-A205 VanDerWaalsContact O-N 3.15Å
202L92Very high91.7Very high101 Ų10162.8 Ų62.853%0.52933%0.329SS..Hα-helixtrans-59.8-45.4175.8179.866.5000111L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 2.97Å; L199-L202 HydrophobicContact CD1-CD2 4.47Å; L199-L202 WeakPolarHBondContact O-CB 3.34Å; L199-L202 PolarHBondContact O-N 3.12Å; L202-I204 PolarHBondContact O-N 3.03Å; L202-A205 WeakPolarHBondContact O-CB 3.34Å; L202-A205 PolarHBondContact O-N 3.28Å; L202-A205 VanDerWaalsContact O-N 3.12Å; L202-V206 HydrophobicContact CD1-CG2 4.35Å; L202-V206 HydrophobicContact CG-CG2 4.33Å; L202-V206 WeakPolarHBondContact O-CG2 3.44Å; L202-V206 PolarHBondContact O-N 3.04Å
203E90.8Very high91.6Very high13 Ų1363 Ų636%0.06133%0.332CS..Hα-helixtrans-66.9-37-177.2-161.965-160.400112.1L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.44Å; L87-E203 HydrophobicContact CD2-CB 4.18Å; L87-E203 HydrophobicContact CD2-CG 3.4Å; G167-E203 WeakPolarHBondContact CA-OE2 3.48Å; M171-E203 HydrophobicContact CE-CG 4.13Å; L199-E203 PolarHBondContact O-N 2.99Å; T200-E203 PolarHBondContact O-N 3.04Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 2.82Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 2.98Å; E203-V206 PolarHBondContact O-N 2.88Å; E203-A207 VanDerWaalsContact O-CB 3.31Å; E203-A207 WeakPolarHBondContact O-CB 3.49Å; E203-A207 PolarHBondContact O-N 2.77Å
204I90.9Very high91.3Very high84 Ų8457.9 Ų57.943%0.43131%0.31SS..Hα-helixtrans-59.4-43.4171.5-67.3164.5000110.7L87 T200 I201 L202 L208L87-I204 HydrophobicContact CD1-CB 4.18Å; L87-I204 HydrophobicContact CD1-CG1 3.59Å; T200-I204 VanDerWaalsContact O-CG1 3.27Å; T200-I204 WeakPolarHBondContact O-CG1 3.32Å; T200-I204 PolarHBondContact O-N 3.18Å; I201-I204 PolarHBondContact O-N 3.49Å; L202-I204 PolarHBondContact O-N 3.03Å; I204-L208 PolarHBondContact O-N 3.38Å
205A92Very high91.1Very high46 Ų4654.3 Ų54.338%0.3829%0.288SS..Hα-helixtrans-65.5-45.5177.200000111.6I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 2.9Å; I201-A205 VanDerWaalsContact O-N 3.15Å; L202-A205 WeakPolarHBondContact O-CB 3.34Å; L202-A205 PolarHBondContact O-N 3.28Å; L202-A205 VanDerWaalsContact O-N 3.12Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 2.98Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 3.37Å; A205-L208 PolarHBondContact O-N 3.46Å; A205-I209 WeakPolarHBondContact O-CB 3.5Å; A205-I209 VanDerWaalsContact O-CG1 3.26Å; A205-I209 WeakPolarHBondContact O-CG1 3.24Å; A205-I209 PolarHBondContact O-N 3.47Å
206V91.6Very high90.8Very high37 Ų3753.2 Ų53.222%0.22428%0.282CS..Hα-helixtrans-61.1-42.4178172.70000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.07Å; L202-V206 HydrophobicContact CD1-CG2 4.35Å; L202-V206 HydrophobicContact CG-CG2 4.33Å; L202-V206 WeakPolarHBondContact O-CG2 3.44Å; L202-V206 PolarHBondContact O-N 3.04Å; E203-V206 PolarHBondContact O-N 2.88Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 2.65Å; V206-I209 PolarHBondContact O-N 2.94Å; V206-Q210 WeakPolarHBondContact O-CB 3.27Å; V206-Q210 PolarHBondContact O-N 3.41Å
207A89.3Confident90.4Very high5 Ų553.3 Ų53.34%0.04128%0.283CS..Hα-helixtrans-57.6-41.8178.100000112.9N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.89Å; N83-A207 PolarHBondContact ND2-O 3.05Å; L87-A207 HydrophobicContact CD1-CB 4.1Å; E203-A207 VanDerWaalsContact O-CB 3.31Å; E203-A207 WeakPolarHBondContact O-CB 3.49Å; E203-A207 PolarHBondContact O-N 2.77Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 3.37Å; A207-A211 PolarHBondContact O-N 3.36Å
208L89Confident90.1Very high113 Ų11349.9 Ų49.959%0.59227%0.266SS*.Hα-helixtrans-75.4-45.3178.9-169.4150.3000111.8I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 3.38Å; A205-L208 PolarHBondContact O-N 3.46Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 2.65Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 3.38Å; L208-A211 PolarHBondContact O-N 3.47Å; L208-Y212 PolarHBondContact O-N 3.5Å; L208-Y212 VanDerWaalsContact O-N 3.17Å
209I90.8Very high89.7Confident93 Ų9344.8 Ų44.848%0.47724%0.24SC..Hα-helixtrans-60.5-40.4178.2-69166.7000110.3A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.5Å; A205-I209 VanDerWaalsContact O-CG1 3.26Å; A205-I209 WeakPolarHBondContact O-CG1 3.24Å; A205-I209 PolarHBondContact O-N 3.47Å; V206-I209 PolarHBondContact O-N 2.94Å; I209-A211 PolarHBondContact O-N 3.3Å; I209-Y212 WeakPolarHBondContact O-CB 3.41Å; I209-Y212 PolarHBondContact O-N 3.12Å; I209-V213 HydrophobicContact CG2-CG2 4.01Å; I209-V213 WeakPolarHBondContact O-CG2 3.42Å; I209-V213 PolarHBondContact O-N 3.32Å
210Q89Confident89.3Confident10 Ų1047.3 Ų47.35%0.04725%0.253CS..Hα-helixtrans-66.8-38.2-177.8-173.463.89.400112.3R159 L160 N163 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.26Å; R159-Q210 VanDerWaalsContact CG-NE2 3.33Å; L160-Q210 VanDerWaalsContact CA-NE2 3.27Å; L160-Q210 HydrophobicContact CB-CG 4.27Å; L160-Q210 HydrophobicContact CD1-CB 4.36Å; L160-Q210 HydrophobicContact CD1-CG 3.39Å; L160-Q210 HydrophobicContact CG-CG 4.42Å; N163-Q210 PolarHBondContact ND2-OE1 3.15Å; V206-Q210 WeakPolarHBondContact O-CB 3.27Å; V206-Q210 PolarHBondContact O-N 3.41Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 3.38Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-F214 VanDerWaalsContact O-CB 3.3Å; Q210-F214 WeakPolarHBondContact O-CB 3.45Å; Q210-F214 PolarHBondContact O-N 3.06Å
211A89.6Confident88.7Confident1 Ų146.2 Ų46.21%0.00824%0.244CC..Hα-helixtrans-62.1-42.1172.300000111.4I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.43Å; I79-A211 HydrophobicContact CB-CB 4.04Å; I79-A211 HydrophobicContact CG2-CB 3.78Å; A80-A211 HydrophobicContact CB-CB 3.91Å; A207-A211 PolarHBondContact O-N 3.36Å; L208-A211 PolarHBondContact O-N 3.47Å; I209-A211 PolarHBondContact O-N 3.3Å; A211-T215 VanDerWaalsContact O-CG2 3.3Å; A211-T215 WeakPolarHBondContact O-CG2 3.42Å; A211-T215 PolarHBondContact O-N 3.3Å; A211-T215 PolarHBondContact O-OG1 2.9Å
212Y89.6Confident88.2Confident104 Ų10441.4 Ų41.441%0.40822%0.219SC..Hα-helixtrans-64.5-50176.4177.1-101.4000112.6I76 L208 I209 Q210 F214 T215 L216I76-Y212 HydrophobicContact CD1-CD2 4.19Å; L208-Y212 PolarHBondContact O-N 3.5Å; L208-Y212 VanDerWaalsContact O-N 3.17Å; I209-Y212 WeakPolarHBondContact O-CB 3.41Å; I209-Y212 PolarHBondContact O-N 3.12Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Y212-F214 VanDerWaalsContact C-N 3.3Å; Y212-F214 PolarHBondContact O-N 2.68Å; Y212-T215 PolarHBondContact O-N 2.95Å; Y212-T215 PolarHBondContact O-OG1 3.27Å; Y212-L216 HydrophobicContact CE1-CD1 3.64Å; Y212-L216 HydrophobicContact CE2-CD1 4.45Å; Y212-L216 VanDerWaalsContact O-CB 3.28Å; Y212-L216 WeakPolarHBondContact O-CB 3.47Å; Y212-L216 PolarHBondContact O-N 3.02Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.33Å
213V89.8Confident87.7Confident44 Ų4440.8 Ų40.827%0.26721%0.213SC..Hα-helixtrans-62-39.1179.8171.60000111.3I209 L217I209-V213 HydrophobicContact CG2-CG2 4.01Å; I209-V213 WeakPolarHBondContact O-CG2 3.42Å; I209-V213 PolarHBondContact O-N 3.32Å; V213-L217 HydrophobicContact CG1-CD1 3.94Å; V213-L217 WeakPolarHBondContact O-CG 3.41Å; V213-L217 PolarHBondContact O-N 3.38Å
214F87.1Confident87.1Confident1 Ų143.8 Ų43.80%0.00423%0.23CC..Hα-helixtrans-58.5-52.5176.8-174.9-72.4000110.9L75 I79 A105 L108 L156 L160 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.35Å; L75-F214 HydrophobicContact CD2-CD1 3.69Å; L75-F214 HydrophobicContact CD2-CE1 3.59Å; L75-F214 HydrophobicContact CG-CE1 4.34Å; I79-F214 HydrophobicContact CD1-CB 4.34Å; I79-F214 HydrophobicContact CD1-CD1 3.52Å; I79-F214 HydrophobicContact CD1-CD2 4.32Å; I79-F214 HydrophobicContact CD1-CE1 3.83Å; I79-F214 HydrophobicContact CD1-CG 3.81Å; I79-F214 HydrophobicContact CD1-CZ 4.33Å; A105-F214 HydrophobicContact CB-CE2 4.36Å; A105-F214 HydrophobicContact CB-CZ 4.14Å; L108-F214 HydrophobicContact CD1-CE1 4.17Å; L156-F214 HydrophobicContact CD1-CD2 4.23Å; L156-F214 HydrophobicContact CD1-CG 4.43Å; L156-F214 HydrophobicContact CD2-CD1 3.99Å; L156-F214 HydrophobicContact CD2-CD2 3.36Å; L156-F214 HydrophobicContact CD2-CE1 3.78Å; L156-F214 HydrophobicContact CD2-CE2 3.14Å; L156-F214 HydrophobicContact CD2-CG 3.79Å; L156-F214 HydrophobicContact CD2-CZ 3.38Å; L156-F214 HydrophobicContact CG-CD2 3.45Å; L156-F214 VanDerWaalsContact CG-CD2 3.45Å; L156-F214 HydrophobicContact CG-CE2 3.63Å; L156-F214 HydrophobicContact CG-CG 4.07Å; L156-F214 HydrophobicContact CG-CZ 4.35Å; L160-F214 HydrophobicContact CD2-CD2 4.44Å; Q210-F214 VanDerWaalsContact O-CB 3.3Å; Q210-F214 WeakPolarHBondContact O-CB 3.45Å; Q210-F214 PolarHBondContact O-N 3.06Å; Y212-F214 VanDerWaalsContact C-N 3.3Å; Y212-F214 PolarHBondContact O-N 2.68Å; F214-L217 PolarHBondContact O-N 3.34Å; F214-V218 HydrophobicContact CD1-CG2 4.28Å; F214-V218 HydrophobicContact CE1-CG2 4.07Å; F214-V218 WeakPolarHBondContact O-CG2 3.46Å; F214-V218 PolarHBondContact O-N 2.9Å
215T88.5Confident86.3Confident0 Ų041.4 Ų41.40%022%0.218CC..Hα-helixtrans-70.4-36-176.655.50000112.6M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.42Å; L75-T215 HydrophobicContact CB-CG2 4.3Å; L75-T215 HydrophobicContact CD2-CG2 3.48Å; L75-T215 VanDerWaalsContact CD2-CG2 3.48Å; L75-T215 HydrophobicContact CG-CG2 4.05Å; I76-T215 VanDerWaalsContact CA-CG2 3.46Å; I76-T215 HydrophobicContact CB-CG2 3.46Å; I76-T215 VanDerWaalsContact CB-CG2 3.46Å; I76-T215 HydrophobicContact CG1-CG2 4.04Å; A211-T215 VanDerWaalsContact O-CG2 3.3Å; A211-T215 WeakPolarHBondContact O-CG2 3.42Å; A211-T215 PolarHBondContact O-N 3.3Å; A211-T215 PolarHBondContact O-OG1 2.9Å; Y212-T215 PolarHBondContact O-N 2.95Å; Y212-T215 PolarHBondContact O-OG1 3.27Å; T215-V218 PolarHBondContact O-N 3.47Å; T215-S219 WeakPolarHBondContact O-CB 3.42Å; T215-S219 PolarHBondContact O-N 3.08Å
216L87.8Confident85.2Confident61 Ų6141 Ų4132%0.31921%0.211SC..Hα-helixtrans-62-45175.2-175.2149000111.5Y212 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.64Å; Y212-L216 HydrophobicContact CE2-CD1 4.45Å; Y212-L216 VanDerWaalsContact O-CB 3.28Å; Y212-L216 WeakPolarHBondContact O-CB 3.47Å; Y212-L216 PolarHBondContact O-N 3.02Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.33Å; L216-S219 WeakPolarHBondContact CA-OG 3.44Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.48Å; L216-S219 PolarHBondContact O-N 2.97Å; L216-S219 VanDerWaalsContact O-N 3.14Å; L216-S219 PolarHBondContact O-OG 2.83Å; L216-L220 PolarHBondContact O-N 3.33Å
217L86.3Confident84.8Confident34 Ų3441.3 Ų41.318%0.17821%0.21CC..Hα-helixtrans-63.4-43.6177.9-75.1168.4000111.7L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 3.9Å; L156-L217 HydrophobicContact CD1-CD1 3.46Å; L156-L217 VanDerWaalsContact CD1-CD1 3.46Å; L156-L217 HydrophobicContact CD1-CG 4.32Å; V213-L217 HydrophobicContact CG1-CD1 3.94Å; V213-L217 WeakPolarHBondContact O-CG 3.41Å; V213-L217 PolarHBondContact O-N 3.38Å; F214-L217 PolarHBondContact O-N 3.34Å; L217-S219 PolarHBondContact O-N 3.15Å; L217-L220 PolarHBondContact O-N 3.2Å; L217-L220 VanDerWaalsContact O-N 3.16Å; L217-Y221 HydrophobicContact CB-CE2 3.99Å; L217-Y221 WeakPolarHBondContact O-CD2 3.19Å; L217-Y221 VanDerWaalsContact O-CE2 3.29Å; L217-Y221 WeakPolarHBondContact O-CE2 3.36Å; L217-Y221 PolarHBondContact O-N 3.28Å
218V85.9Confident84.6Confident6 Ų643.2 Ų43.24%0.03622%0.219CC..Hα-helixtrans-59.2-40.1173.4177.70000111.1L72 L108 L156 F214 T215 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.24Å; L72-V218 HydrophobicContact CD2-CG1 3.88Å; L108-V218 HydrophobicContact CB-CG1 4.47Å; L156-V218 HydrophobicContact CD2-CG2 4.27Å; F214-V218 HydrophobicContact CD1-CG2 4.28Å; F214-V218 HydrophobicContact CE1-CG2 4.07Å; F214-V218 WeakPolarHBondContact O-CG2 3.46Å; F214-V218 PolarHBondContact O-N 2.9Å; T215-V218 PolarHBondContact O-N 3.47Å; V218-Y221 PolarHBondContact O-N 3.04Å; V218-L222 PolarHBondContact O-N 3.22Å
219S86.1Confident84.4Confident12 Ų1239.3 Ų39.38%0.08420%0.198CC..Hα-helixtrans-66.7-37.8176.986.20000112.3H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact NE2-O 3.12Å; T215-S219 WeakPolarHBondContact O-CB 3.42Å; T215-S219 PolarHBondContact O-N 3.08Å; L216-S219 WeakPolarHBondContact CA-OG 3.44Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.48Å; L216-S219 PolarHBondContact O-N 2.97Å; L216-S219 VanDerWaalsContact O-N 3.14Å; L216-S219 PolarHBondContact O-OG 2.83Å; L217-S219 PolarHBondContact O-N 3.15Å; S219-L222 WeakPolarHBondContact O-CB 3.48Å; S219-L222 PolarHBondContact O-N 3.47Å; S219-H223 PolarHBondContact O-N 3.26Å
220L84.1Confident84Confident76 Ų7636.1 Ų36.140%0.39818%0.182SC..Hα-helixtrans-66.1-42.1176.1-169.8151.1000110.7L216 L217 L222 H223 D224L216-L220 PolarHBondContact O-N 3.33Å; L217-L220 PolarHBondContact O-N 3.2Å; L217-L220 VanDerWaalsContact O-N 3.16Å; L220-L222 VanDerWaalsContact C-N 3.28Å; L220-L222 PolarHBondContact O-N 3.32Å; L220-H223 WeakPolarHBondContact O-CA 3.28Å; L220-H223 WeakPolarHBondContact O-CB 3.34Å; L220-H223 PolarHBondContact O-N 3.39Å; L220-H223 VanDerWaalsContact O-N 3.07Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.49Å; L220-D224 PolarHBondContact O-N 2.99Å
221Y80.6Confident83.7Confident28 Ų2837.8 Ų37.811%0.1119%0.19CC..Hα-helixtrans-62.6-36.8173-57.7-42.9000112.6Q152 L217 V218 H223 N225Q152-Y221 HydrophobicContact CG-CE1 4.01Å; Q152-Y221 HydrophobicContact CG-CE2 3.95Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.41Å; Q152-Y221 PolarHBondContact NE2-OH 2.88Å; L217-Y221 HydrophobicContact CB-CE2 3.99Å; L217-Y221 WeakPolarHBondContact O-CD2 3.19Å; L217-Y221 VanDerWaalsContact O-CE2 3.29Å; L217-Y221 WeakPolarHBondContact O-CE2 3.36Å; L217-Y221 PolarHBondContact O-N 3.28Å; V218-Y221 PolarHBondContact O-N 3.04Å; Y221-H223 VanDerWaalsContact C-N 3.32Å; Y221-N225 WeakPolarHBondContact O-CB 3.43Å; Y221-N225 PolarHBondContact O-N 3.37Å; Y221-N225 VanDerWaalsContact O-N 3.16Å; Y221-N225 PolarHBondContact O-ND2 3.37Å
222L81.8Confident83.3Confident1 Ų140.2 Ų40.21%0.00520%0.203CC..Hα-helixtrans-63.1-44173.4-172.676000110.4W68 L72 T112 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.58Å; W68-L222 HydrophobicContact CD2-CD1 3.6Å; W68-L222 HydrophobicContact CD2-CD2 4.27Å; W68-L222 HydrophobicContact CE3-CD1 3.76Å; W68-L222 HydrophobicContact CE3-CD2 4.46Å; W68-L222 HydrophobicContact CG-CD1 3.89Å; W68-L222 HydrophobicContact CG-CD2 3.86Å; W68-L222 HydrophobicContact CZ3-CD1 4.31Å; L72-L222 HydrophobicContact CD1-CD2 4.47Å; T112-L222 HydrophobicContact CG2-CB 4.23Å; T112-L222 HydrophobicContact CG2-CD1 4.08Å; V218-L222 PolarHBondContact O-N 3.22Å; S219-L222 WeakPolarHBondContact O-CB 3.48Å; S219-L222 PolarHBondContact O-N 3.47Å; L220-L222 VanDerWaalsContact C-N 3.28Å; L220-L222 PolarHBondContact O-N 3.32Å; L222-N225 PolarHBondContact O-N 3.1Å; L222-T226 HydrophobicContact CD1-CG2 4.33Å; L222-T226 HydrophobicContact CG-CG2 4.26Å; L222-T226 WeakPolarHBondContact O-CB 3.29Å; L222-T226 WeakPolarHBondContact O-CG2 3.36Å; L222-T226 PolarHBondContact O-N 3.18Å; L222-T226 VanDerWaalsContact O-N 3.12Å; L222-T226 PolarHBondContact O-OG1 3.41Å; L222-T226 VanDerWaalsContact O-OG1 3.05Å
223H81.4Confident82.8Confident88 Ų8835.6 Ų35.641%0.40719%0.188SC..Hα-helixtrans-59-51.2177.8-173.687.3000111.8M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 3.44Å; M60-H223 PolarHBondContact O-ND1 3.32Å; S219-H223 PolarHBondContact O-N 3.26Å; L220-H223 WeakPolarHBondContact O-CA 3.28Å; L220-H223 WeakPolarHBondContact O-CB 3.34Å; L220-H223 PolarHBondContact O-N 3.39Å; L220-H223 VanDerWaalsContact O-N 3.07Å; Y221-H223 VanDerWaalsContact C-N 3.32Å; H223-N225 PolarHBondContact O-N 3.45Å; H223-T226 PolarHBondContact O-N 3.2Å; H223-T226 VanDerWaalsContact O-N 3.12Å; H223-T226 PolarHBondContact O-OG1 3.41Å
224D77.7Confident82.3Confident76 Ų7635 Ų3541%0.40618%0.182SC..Hα-helixtrans-60.9-31.3-179.4-65.8-14.8000112.8L220L220-D224 WeakPolarHBondContact CD2-OD2 3.49Å; L220-D224 PolarHBondContact O-N 2.99Å
225N73.8Confident81.9Confident34 Ų3437.8 Ų37.818%0.18220%0.197CC..Hα-helixtrans-90.9-3.1-179.9-74.6-72.3000114.3G116 S119 Y221 L222 H223G116-N225 WeakPolarHBondContact CA-O 3.31Å; S119-N225 PolarHBondContact OG-O 3.3Å; Y221-N225 WeakPolarHBondContact O-CB 3.43Å; Y221-N225 PolarHBondContact O-N 3.37Å; Y221-N225 VanDerWaalsContact O-N 3.16Å; Y221-N225 PolarHBondContact O-ND2 3.37Å; L222-N225 PolarHBondContact O-N 3.1Å; H223-N225 PolarHBondContact O-N 3.45Å
226T68.8Low81.3Confident38 Ų3841.3 Ų41.323%0.23321%0.214CC..  trans-106.50-178.655.80000114.5K120 L222 H223K120-T226 WeakPolarHBondContact CE-O 3.41Å; K120-T226 PolarHBondContact NZ-O 2.8Å; K120-T226 PolarHBondContact NZ-OXT 3.49Å; L222-T226 HydrophobicContact CD1-CG2 4.33Å; L222-T226 HydrophobicContact CG-CG2 4.26Å; L222-T226 WeakPolarHBondContact O-CB 3.29Å; L222-T226 WeakPolarHBondContact O-CG2 3.36Å; L222-T226 PolarHBondContact O-N 3.18Å; L222-T226 VanDerWaalsContact O-N 3.12Å; L222-T226 PolarHBondContact O-OG1 3.41Å; L222-T226 VanDerWaalsContact O-OG1 3.05Å; H223-T226 PolarHBondContact O-N 3.2Å; H223-T226 VanDerWaalsContact O-N 3.12Å; H223-T226 PolarHBondContact O-OG1 3.41Å

Retrieved 226 of 226 residues in 228 ms (Link to these results)