A0A023QYE6_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A023QYE6, Species HUMAN (Homo sapiens, Human), Gene ATP6, Length 226 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56.2Low73.9Confident203 Ų20399.5 Ų99.5100%154%0.537SS*.  0-36.70-74.2174.8106.500112.8E3 N4M1-E3 PolarHBondContact O-N 3.39Å; M1-N4 PolarHBondContact O-N 3.33Å
2N53Low74.7Confident142 Ų14294.5 Ų94.576%0.75951%0.514SS*.Hα-helixtrans-59.2-38.5-177.4-86.318.5000115.6
3E60.4Low75.6Confident163 Ų16394.9 Ų94.976%0.76252%0.521SS*.Hα-helixtrans-80.8-19.9-177.7-61.2-146.9157.500114.1M1 L5 F6 A7M1-E3 PolarHBondContact O-N 3.39Å; E3-L5 VanDerWaalsContact C-N 3.28Å; E3-L5 PolarHBondContact O-N 3.36Å; E3-F6 PolarHBondContact O-N 3.34Å; E3-A7 PolarHBondContact O-N 3.1Å; E3-A7 VanDerWaalsContact O-N 3.13Å
4N74.4Confident76.4Confident118 Ų11896.4 Ų96.463%0.63153%0.526SS*.Hα-helixtrans-69.6-28.5-177.4-65.96.9000112M1M1-N4 PolarHBondContact O-N 3.33Å
5L75.6Confident76.9Confident45 Ų45101.7 Ų101.724%0.23655%0.553CS.*Hα-helixtrans-68.4-36.4178.1-67.3178.6000112.1E3 H172 L173E3-L5 VanDerWaalsContact C-N 3.28Å; E3-L5 PolarHBondContact O-N 3.36Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.48Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.31Å; L5-L173 HydrophobicContact CD1-CD2 4.11Å; L5-L173 HydrophobicContact CD2-CD2 4.37Å
6F82.4Confident77.3Confident114 Ų11499.8 Ų99.850%0.556%0.564SS.*Hα-helixtrans-93.6-8.8-176.7-66.2-76.1000113.7E3 S8 F9 L169E3-F6 PolarHBondContact O-N 3.34Å; F6-S8 PolarHBondContact O-N 3.07Å; F6-S8 VanDerWaalsContact O-N 3.15Å; F6-F9 AromaticContact CD1-CD2 3.92Å; F6-F9 HydrophobicContact CD1-CD2 3.92Å; F6-F9 HydrophobicContact CD1-CE2 4.27Å; F6-F9 PolarHBondContact O-N 3.41Å; F6-L169 HydrophobicContact CE1-CD1 3.96Å; F6-L169 HydrophobicContact CZ-CD1 4.12Å
7A80.2Confident77.7Confident55 Ų55101.3 Ų101.346%0.45557%0.569SS.*G310 helixtrans-55.6-32.818000000113.1E3 F9 I10E3-A7 PolarHBondContact O-N 3.1Å; E3-A7 VanDerWaalsContact O-N 3.13Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 2.95Å; A7-I10 PolarHBondContact O-N 3.04Å
8S80.4Confident78.1Confident59 Ų59100.2 Ų100.241%0.41357%0.567SS.*G310 helixtrans-68.9-20.6176.656.90000114.1F6 F92F6-S8 PolarHBondContact O-N 3.07Å; F6-S8 VanDerWaalsContact O-N 3.15Å; S8-F92 WeakPolarHBondContact O-CD2 3.38Å
9F82.3Confident78.5Confident23 Ų2395.9 Ų95.910%0.10155%0.545CS..G310 helixtrans-93-10.2178.5-58.9-67.5000112.9F6 A7 A11 T96 Q97 T165 H168F6-F9 AromaticContact CD1-CD2 3.92Å; F6-F9 HydrophobicContact CD1-CD2 3.92Å; F6-F9 HydrophobicContact CD1-CE2 4.27Å; F6-F9 PolarHBondContact O-N 3.41Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 2.95Å; F9-A11 PolarHBondContact O-N 3.25Å; F9-T96 HydrophobicContact CD1-CG2 3.87Å; F9-T96 HydrophobicContact CE1-CG2 3.74Å; F9-Q97 PolarHBondContact O-NE2 3.35Å; F9-T165 HydrophobicContact CD1-CG2 4.47Å; F9-T165 HydrophobicContact CE1-CG2 4.14Å; F9-H168 HydrophobicContact CE1-CB 4.06Å; F9-H168 HydrophobicContact CZ-CB 3.84Å
10I84.7Confident78.9Confident119 Ų11992 Ų9261%0.6153%0.526SS*.SBendtrans-69.3130178.3-59.4174.9000108.7A7 P12A7-I10 PolarHBondContact O-N 3.04Å; I10-P12 WeakPolarHBondContact O-CD 3.38Å
11A83.3Confident79.2Confident53 Ų5391.5 Ų91.544%0.43852%0.524SS..PPolyproline II helixtrans-59.1121.5179.900000110.2F9 T13F9-A11 PolarHBondContact O-N 3.25Å; A11-T13 PolarHBondContact O-N 3.43Å
12P83.6Confident80.7Confident40 Ų4087.9 Ų87.926%0.2651%0.508SS..PPolyproline II helixtrans-72.5126.6-173.827.1-33.3000110.6I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.38Å; P12-A19 HydrophobicContact CB-CB 4.24Å; P12-A19 HydrophobicContact CG-CB 4.36Å; P12-A19 WeakPolarHBondContact O-CB 3.32Å; P12-A19 PolarHBondContact O-N 3Å; P12-I23 HydrophobicContact CG-CD1 3.71Å; P12-F92 HydrophobicContact CG-CB 4.44Å; P12-F92 HydrophobicContact CG-CD1 4.15Å; P12-F92 HydrophobicContact CG-CG 4.11Å
13T86.9Confident82.3Confident100 Ų10083.7 Ų83.761%0.61349%0.485SS*.EExtended strand (participates in β ladder)trans-117.9121.8171.156.10000109.5A11 L17A11-T13 PolarHBondContact O-N 3.43Å; T13-L17 CarbonylContact C-O 3.54Å; T13-L17 VanDerWaalsContact CA-O 3.26Å; T13-L17 WeakPolarHBondContact CA-O 3.46Å
14I86.6Confident83.7Confident115 Ų11578.3 Ų78.359%0.5946%0.461SS*.EExtended strand (participates in β ladder)trans-106.8123.5175.1-62.5171.5000107.1G16 L17 A19I14-G16 PolarHBondContact O-N 3.25Å; I14-G16 VanDerWaalsContact O-N 3.12Å; I14-L17 PolarHBondContact N-O 3.43Å; I14-L17 PolarHBondContact O-N 2.76Å; I14-A19 HydrophobicContact CB-CB 4.47Å; I14-A19 HydrophobicContact CD1-CB 3.85Å; I14-A19 HydrophobicContact CG1-CB 3.91Å
15L84.1Confident84.3Confident176 Ų17678.3 Ų78.392%0.92146%0.46SS*.THydrogen-bonded Turntrans53.132.1-179.5-93.9113.6000114.2L17L15-L17 PolarHBondContact O-N 3.36Å
16G83.5Confident84.9Confident71 Ų7180.6 Ų80.673%0.73247%0.469SS*.THydrogen-bonded Turntrans78.9-1.4-177.700000115.1I14I14-G16 PolarHBondContact O-N 3.25Å; I14-G16 VanDerWaalsContact O-N 3.12Å
17L84.1Confident85.2Confident126 Ų12675.3 Ų75.366%0.6645%0.446SS*.EExtended strand (participates in β ladder)trans-92.6139.5171.3-67168.2000110.7T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.54Å; T13-L17 VanDerWaalsContact CA-O 3.26Å; T13-L17 WeakPolarHBondContact CA-O 3.46Å; I14-L17 PolarHBondContact N-O 3.43Å; I14-L17 PolarHBondContact O-N 2.76Å; L15-L17 PolarHBondContact O-N 3.36Å; L17-A19 PolarHBondContact O-N 3.02Å
18P85Confident85.4Confident81 Ų8176 Ų7653%0.52645%0.446SS..EExtended strand (participates in β ladder)trans-71.1101.717829.1-33.3000110.4A20 V21P18-A20 PolarHBondContact O-N 2.95Å; P18-V21 HydrophobicContact CB-CG2 4.44Å; P18-V21 HydrophobicContact CG-CG2 4.19Å; P18-V21 PolarHBondContact O-N 3.29Å
19A85.8Confident85.8Confident19 Ų1979.6 Ų79.616%0.15746%0.459CS..THydrogen-bonded Turntrans-68.5-17.5177.300000112.3P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.24Å; P12-A19 HydrophobicContact CG-CB 4.36Å; P12-A19 WeakPolarHBondContact O-CB 3.32Å; P12-A19 PolarHBondContact O-N 3Å; I14-A19 HydrophobicContact CB-CB 4.47Å; I14-A19 HydrophobicContact CD1-CB 3.85Å; I14-A19 HydrophobicContact CG1-CB 3.91Å; L17-A19 PolarHBondContact O-N 3.02Å; A19-V21 PolarHBondContact O-N 3.22Å; A19-L22 WeakPolarHBondContact O-CB 3.3Å; A19-L22 PolarHBondContact O-N 3.14Å; A19-L22 VanDerWaalsContact O-N 3.09Å; A19-I23 PolarHBondContact O-N 3.46Å
20A85.8Confident86Confident18 Ų1882 Ų8215%0.14947%0.473CS..Hα-helixtrans-53.3-33.5173.600000113.2P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 2.95Å; A20-L22 VanDerWaalsContact C-N 3.33Å; A20-L22 PolarHBondContact O-N 2.91Å; A20-I23 PolarHBondContact O-N 3.13Å; A20-I24 VanDerWaalsContact O-CG1 3.27Å; A20-I24 WeakPolarHBondContact O-CG1 3.29Å; A20-I24 PolarHBondContact O-N 3.49Å; A20-F92 HydrophobicContact CB-CE1 4.33Å
21V85.6Confident86.2Confident81 Ų8179 Ų7949%0.49146%0.457SS..Hα-helixtrans-63.3-41.3179.1-179.30000111.1P18 A19 I23 I24 L25P18-V21 HydrophobicContact CB-CG2 4.44Å; P18-V21 HydrophobicContact CG-CG2 4.19Å; P18-V21 PolarHBondContact O-N 3.29Å; A19-V21 PolarHBondContact O-N 3.22Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.33Å; V21-I24 PolarHBondContact O-N 3.4Å; V21-L25 HydrophobicContact CG1-CD1 4.13Å; V21-L25 WeakPolarHBondContact O-CG 2.95Å; V21-L25 PolarHBondContact O-N 3.37Å; V21-L25 VanDerWaalsContact O-N 3.08Å
22L86.4Confident86.3Confident127 Ų12779.1 Ų79.167%0.66545%0.454SS*.Hα-helixtrans-65.8-39.6178.9-163.4153.9000110.8A19 A20 L25 F26A19-L22 WeakPolarHBondContact O-CB 3.3Å; A19-L22 PolarHBondContact O-N 3.14Å; A19-L22 VanDerWaalsContact O-N 3.09Å; A20-L22 VanDerWaalsContact C-N 3.33Å; A20-L22 PolarHBondContact O-N 2.91Å; L22-L25 PolarHBondContact O-N 3.17Å; L22-F26 PolarHBondContact O-N 3.09Å
23I87.9Confident86.4Confident54 Ų5483.6 Ų83.628%0.27748%0.481SS..Hα-helixtrans-65.1-41.5177.2-57.9173.1000110.8P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.71Å; A19-I23 PolarHBondContact O-N 3.46Å; A20-I23 PolarHBondContact O-N 3.13Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.33Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.46Å; I23-F26 WeakPolarHBondContact O-CB 3.26Å; I23-F26 PolarHBondContact O-N 3.28Å; I23-P27 VanDerWaalsContact O-CD 3.29Å; I23-P27 WeakPolarHBondContact O-CD 3.08Å; I23-F92 HydrophobicContact CD1-CB 3.98Å; I23-F92 HydrophobicContact CD1-CD1 3.9Å; I23-F92 HydrophobicContact CD1-CG 4.32Å; I23-F92 HydrophobicContact CG2-CD1 4.47Å; I23-F92 WeakPolarHBondContact CG2-O 3.26Å
24I88.6Confident86.4Confident51 Ų5180.6 Ų80.626%0.26246%0.464SS..Hα-helixtrans-65.5-32.2176.8-68.3163.8000111.9A20 V21 F26 P27 F78 P94 M100A20-I24 VanDerWaalsContact O-CG1 3.27Å; A20-I24 WeakPolarHBondContact O-CG1 3.29Å; A20-I24 PolarHBondContact O-N 3.49Å; V21-I24 PolarHBondContact O-N 3.4Å; I24-F26 VanDerWaalsContact C-N 3.35Å; I24-P27 WeakPolarHBondContact O-CD 3.48Å; I24-F78 HydrophobicContact CG2-CZ 4.32Å; I24-P94 HydrophobicContact CD1-CB 4.28Å; I24-P94 HydrophobicContact CG1-CB 3.71Å; I24-P94 HydrophobicContact CG1-CG 4.07Å; I24-M100 HydrophobicContact CD1-SD 4.48Å; I24-M100 HydrophobicContact CG2-CE 4.41Å
25L87.7Confident86.3Confident117 Ų11785.3 Ų85.361%0.61348%0.48SS*.Hα-helixtrans-82-10.7178.6-72.1172.3000114.1V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.13Å; V21-L25 WeakPolarHBondContact O-CG 2.95Å; V21-L25 PolarHBondContact O-N 3.37Å; V21-L25 VanDerWaalsContact O-N 3.08Å; L22-L25 PolarHBondContact O-N 3.17Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.46Å; L25-P28 WeakPolarHBondContact O-CD 3.41Å
26F88.8Confident86.4Confident93 Ų9385.8 Ų85.841%0.40847%0.471SS..Hα-helixtrans-70.8-42.5-177.1-170.3-96.9000114.9L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 3.09Å; I23-F26 WeakPolarHBondContact O-CB 3.26Å; I23-F26 PolarHBondContact O-N 3.28Å; I24-F26 VanDerWaalsContact C-N 3.35Å; F26-L29 VanDerWaalsContact O-CB 3.29Å; F26-L29 WeakPolarHBondContact O-CB 3.5Å; F26-L29 PolarHBondContact O-N 3.34Å; F26-L30 HydrophobicContact CD1-CD1 4.44Å; F26-L30 HydrophobicContact CE1-CD1 4.15Å; F26-L30 HydrophobicContact CE1-CD2 4.27Å; F26-L30 HydrophobicContact CE1-CG 4.27Å; F26-L85 HydrophobicContact CD1-CD2 3.32Å; F26-L85 HydrophobicContact CE1-CD2 3.55Å
27P88.5Confident86.1Confident3 Ų391.1 Ų91.12%0.01948%0.482CS..Hα-helixtrans-57-41.8-179.1-15.120.6000115.3I23 I24 L29 L30 T81 T82I23-P27 VanDerWaalsContact O-CD 3.29Å; I23-P27 WeakPolarHBondContact O-CD 3.08Å; I24-P27 WeakPolarHBondContact O-CD 3.48Å; P27-L29 PolarHBondContact O-N 2.86Å; P27-L30 WeakPolarHBondContact O-CB 3.37Å; P27-L30 PolarHBondContact O-N 3.4Å; P27-L30 VanDerWaalsContact O-N 3.08Å; P27-T81 WeakPolarHBondContact CB-OG1 3.49Å; P27-T82 HydrophobicContact CB-CG2 4.24Å; P27-T82 HydrophobicContact CG-CG2 3.47Å; P27-T82 VanDerWaalsContact CG-CG2 3.47Å
28P84.7Confident86.1Confident71 Ų7192.4 Ų92.446%0.46149%0.488SS..Hα-helixtrans-55.5-32.7173.5-27.433.4000114.3L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.41Å; P28-L30 PolarHBondContact O-N 2.97Å; P28-I31 PolarHBondContact O-N 2.99Å
29L88.1Confident86.3Confident133 Ų13390.1 Ų90.170%0.69647%0.471SS*.Hα-helixtrans-67.2-24.8179.6-171.964.8000112.5F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.29Å; F26-L29 WeakPolarHBondContact O-CB 3.5Å; F26-L29 PolarHBondContact O-N 3.34Å; P27-L29 PolarHBondContact O-N 2.86Å; L29-I31 PolarHBondContact O-N 3.12Å
30L87.5Confident86.4Confident75 Ų7594.3 Ų94.339%0.39349%0.491SS..THydrogen-bonded Turntrans-75.6-4.9178.4-65173.9000113.8F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CD1-CD1 4.44Å; F26-L30 HydrophobicContact CE1-CD1 4.15Å; F26-L30 HydrophobicContact CE1-CD2 4.27Å; F26-L30 HydrophobicContact CE1-CG 4.27Å; P27-L30 WeakPolarHBondContact O-CB 3.37Å; P27-L30 PolarHBondContact O-N 3.4Å; P27-L30 VanDerWaalsContact O-N 3.08Å; P28-L30 PolarHBondContact O-N 2.97Å; L30-P32 WeakPolarHBondContact O-CD 3.22Å; L30-Q46 PolarHBondContact O-NE2 3.14Å; L30-L85 HydrophobicContact CD1-CD1 3.42Å; L30-L85 VanDerWaalsContact CD1-CD1 3.42Å; L30-L85 HydrophobicContact CD1-CD2 3.87Å; L30-L85 HydrophobicContact CD1-CG 4.13Å
31I87.7Confident86.6Confident54 Ų54103.6 Ų103.628%0.27752%0.522SS..SBendtrans-11178.8-179.2-53.4160.2000108.5P28 L29 T33 I77P28-I31 PolarHBondContact O-N 2.99Å; L29-I31 PolarHBondContact O-N 3.12Å; I31-T33 PolarHBondContact O-N 2.97Å; I31-I77 HydrophobicContact CD1-CG2 3.34Å; I31-I77 HydrophobicContact CG1-CG2 4.41Å
32P85.9Confident86.7Confident57 Ų57103.8 Ų103.837%0.3752%0.52SS..  trans-68.3131.6179.425.6-31.4000111L30 L42 I43L30-P32 WeakPolarHBondContact O-CD 3.22Å; P32-L42 HydrophobicContact CG-CD2 3.69Å; P32-I43 HydrophobicContact CB-CD1 4.24Å; P32-I43 HydrophobicContact CB-CG1 4.45Å; P32-I43 HydrophobicContact CG-CD1 4.21Å; P32-I43 HydrophobicContact CG-CG1 3.92Å
33T86.3Confident87Confident134 Ų13498.5 Ų98.582%0.82249%0.492SS*.  trans-95.1137.8170.5600000109.9I31I31-T33 PolarHBondContact O-N 2.97Å
34S86.5Confident87.1Confident37 Ų3798.9 Ų98.926%0.25950%0.497SS..  trans-121154.3167.2111.60000111.5Y36 N39S34-Y36 PolarHBondContact OG-N 3.32Å; S34-N39 VanDerWaalsContact CB-ND2 3.33Å; S34-N39 WeakPolarHBondContact CB-ND2 3.32Å; S34-N39 WeakPolarHBondContact CB-OD1 3.13Å; S34-N39 PolarHBondContact OG-ND2 3.01Å; S34-N39 PolarHBondContact OG-OD1 3.37Å
35K84.4Confident87.2Confident213 Ų213100.4 Ų100.493%0.92651%0.509SS*.  trans-90.1-8.4177-61.2-179.4-179178.60112.8
36Y85.8Confident87.4Confident187 Ų18796.8 Ų96.873%0.73349%0.489SS*.  trans-88.5142.9-172.9-62.3-73.3000111.6S34S34-Y36 PolarHBondContact OG-N 3.32Å
37L77.1Confident87.5Confident182 Ų18297.2 Ų97.295%0.95349%0.492SS*.SBendtrans-63.9-41.9178.7-17570.3000112.2
38I84.1Confident87.6Confident154 Ų154105 Ų10579%0.7952%0.521SS*.SBendtrans-99.6121.3172.6-58.8169.8000106.9
39N88.5Confident87.9Confident33 Ų33106.4 Ų106.418%0.17652%0.524CS..  trans-121.5171.1-169.5-147.10.9000112.8S34 I43 T44S34-N39 VanDerWaalsContact CB-ND2 3.33Å; S34-N39 WeakPolarHBondContact CB-ND2 3.32Å; S34-N39 WeakPolarHBondContact CB-OD1 3.13Å; S34-N39 PolarHBondContact OG-ND2 3.01Å; S34-N39 PolarHBondContact OG-OD1 3.37Å; N39-I43 HydrophobicContact CB-CB 4.39Å; N39-I43 WeakPolarHBondContact ND2-CB 3.44Å; N39-I43 WeakPolarHBondContact ND2-CD1 3.43Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.22Å; N39-I43 WeakPolarHBondContact OD1-CD1 3.34Å; N39-T44 HydrophobicContact CB-CG2 4.2Å
40N88.8Confident88.1Confident107 Ų107103 Ų10357%0.57251%0.506SS*.  trans-63.6150.2174.2-1651.2000111.3L42 I43 T44N40-L42 PolarHBondContact O-N 3.25Å; N40-L42 VanDerWaalsContact O-N 3.16Å; N40-I43 PolarHBondContact O-N 3.29Å; N40-T44 PolarHBondContact O-N 3.17Å
41R89.1Confident88.3Confident212 Ų212106.8 Ų106.880%0.852%0.52SS*.Hα-helixtrans-52.2-38.8-179-65.2-176.6-179.7-176.80.3112.7T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.41Å; R41-T44 PolarHBondContact O-N 3.48Å; R41-T44 PolarHBondContact O-OG1 2.96Å; R41-T45 WeakPolarHBondContact O-CG2 3.34Å; R41-T45 PolarHBondContact O-N 3.26Å; R41-T45 PolarHBondContact O-OG1 3Å
42L89.3Confident88.5Confident85 Ų85107.3 Ų107.345%0.44552%0.523SS..Hα-helixtrans-61.9-46.1177.5-174.8148000110.9P32 N40 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.69Å; N40-L42 PolarHBondContact O-N 3.25Å; N40-L42 VanDerWaalsContact O-N 3.16Å; L42-T45 PolarHBondContact O-N 2.94Å; L42-T45 PolarHBondContact O-OG1 3.44Å; L42-Q46 VanDerWaalsContact CD2-CD 3.48Å; L42-Q46 HydrophobicContact CD2-CG 4.31Å; L42-Q46 WeakPolarHBondContact O-CG 3.33Å; L42-Q46 PolarHBondContact O-N 3.13Å
43I91.3Very high88.6Confident16 Ų16106 Ų1068%0.08251%0.513CS..Hα-helixtrans-73.1-33.6-177.8-52.9168.6000111.1P32 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.24Å; P32-I43 HydrophobicContact CB-CG1 4.45Å; P32-I43 HydrophobicContact CG-CD1 4.21Å; P32-I43 HydrophobicContact CG-CG1 3.92Å; N39-I43 HydrophobicContact CB-CB 4.39Å; N39-I43 WeakPolarHBondContact ND2-CB 3.44Å; N39-I43 WeakPolarHBondContact ND2-CD1 3.43Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.22Å; N39-I43 WeakPolarHBondContact OD1-CD1 3.34Å; N40-I43 PolarHBondContact O-N 3.29Å; I43-Q46 PolarHBondContact O-N 3.19Å; I43-Q47 HydrophobicContact CG2-CG 4.16Å; I43-Q47 WeakPolarHBondContact O-CB 3.37Å; I43-Q47 VanDerWaalsContact O-CG 3.26Å; I43-Q47 WeakPolarHBondContact O-CG 3.26Å; I43-Q47 PolarHBondContact O-N 2.84Å
44T91.1Very high88.7Confident63 Ų63101.1 Ų101.139%0.38749%0.485SS..Hα-helixtrans-65.2-41.2174.560.60000111.8N39 N40 R41 Q47 W48N39-T44 HydrophobicContact CB-CG2 4.2Å; N40-T44 PolarHBondContact O-N 3.17Å; R41-T44 WeakPolarHBondContact CA-OG1 3.41Å; R41-T44 PolarHBondContact O-N 3.48Å; R41-T44 PolarHBondContact O-OG1 2.96Å; T44-Q47 PolarHBondContact O-N 3.28Å; T44-W48 WeakPolarHBondContact O-CB 3.43Å; T44-W48 PolarHBondContact O-N 3.44Å
45T90.9Very high88.9Confident82 Ų82106.5 Ų106.550%0.50350%0.504SS..Hα-helixtrans-64.9-40.4174.359.50000112.3R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.34Å; R41-T45 PolarHBondContact O-N 3.26Å; R41-T45 PolarHBondContact O-OG1 3Å; L42-T45 PolarHBondContact O-N 2.94Å; L42-T45 PolarHBondContact O-OG1 3.44Å; T45-W48 PolarHBondContact O-N 3.33Å; T45-L49 PolarHBondContact O-N 3.21Å
46Q90.8Very high89Confident41 Ų41102.5 Ų102.519%0.19249%0.488CS..Hα-helixtrans-62.4-49.1174.6-74.1177.6-18.800111.8L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 3.14Å; L42-Q46 VanDerWaalsContact CD2-CD 3.48Å; L42-Q46 HydrophobicContact CD2-CG 4.31Å; L42-Q46 WeakPolarHBondContact O-CG 3.33Å; L42-Q46 PolarHBondContact O-N 3.13Å; I43-Q46 PolarHBondContact O-N 3.19Å; Q46-W48 VanDerWaalsContact C-N 3.28Å; Q46-W48 PolarHBondContact O-N 2.97Å; Q46-L49 WeakPolarHBondContact O-CB 3.43Å; Q46-L49 PolarHBondContact O-N 3.4Å; Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.23Å; Q46-I50 PolarHBondContact O-N 3.1Å
47Q90.3Very high89Confident102 Ų10294.2 Ų94.248%0.47746%0.456SS..Hα-helixtrans-60.7-38.2177.6-74.4175.2-9.900112I43 T44 K51I43-Q47 HydrophobicContact CG2-CG 4.16Å; I43-Q47 WeakPolarHBondContact O-CB 3.37Å; I43-Q47 VanDerWaalsContact O-CG 3.26Å; I43-Q47 WeakPolarHBondContact O-CG 3.26Å; I43-Q47 PolarHBondContact O-N 2.84Å; T44-Q47 PolarHBondContact O-N 3.28Å; Q47-K51 WeakPolarHBondContact O-CB 3.45Å; Q47-K51 PolarHBondContact O-N 3.29Å
48W92.2Very high89.4Confident167 Ų16786.4 Ų86.463%0.63342%0.415SS*.Hα-helixtrans-64.6-45.2175.4-17781.9000112T44 T45 Q46 K51 L52T44-W48 WeakPolarHBondContact O-CB 3.43Å; T44-W48 PolarHBondContact O-N 3.44Å; T45-W48 PolarHBondContact O-N 3.33Å; Q46-W48 VanDerWaalsContact C-N 3.28Å; Q46-W48 PolarHBondContact O-N 2.97Å; W48-K51 PolarHBondContact O-N 3.36Å; W48-L52 HydrophobicContact CD2-CD1 3.7Å; W48-L52 HydrophobicContact CD2-CG 4.36Å; W48-L52 HydrophobicContact CE3-CD1 3.71Å; W48-L52 HydrophobicContact CH2-CD1 3.41Å; W48-L52 VanDerWaalsContact CH2-CD1 3.41Å; W48-L52 HydrophobicContact CZ2-CD1 3.4Å; W48-L52 VanDerWaalsContact CZ2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CG 4.43Å; W48-L52 HydrophobicContact CZ3-CD1 3.55Å; W48-L52 WeakPolarHBondContact O-CG 3.36Å; W48-L52 PolarHBondContact O-N 2.98Å
49L91.1Very high89.4Confident101 Ų10183.4 Ų83.453%0.52940%0.404SS..Hα-helixtrans-59.4-46.1174.6-108.8161.7000112.2T45 Q46 K51 L52 T53T45-L49 PolarHBondContact O-N 3.21Å; Q46-L49 WeakPolarHBondContact O-CB 3.43Å; Q46-L49 PolarHBondContact O-N 3.4Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 2.99Å; L49-L52 PolarHBondContact O-N 3.47Å; L49-T53 WeakPolarHBondContact O-CG2 3.2Å; L49-T53 PolarHBondContact O-N 3.47Å; L49-T53 PolarHBondContact O-OG1 3.43Å
50I91.6Very high88.9Confident60 Ų6087.8 Ų87.831%0.30843%0.425SS..Hα-helixtrans-61.2-44.7177.8-67.4170.8000110.5Q46 L52 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.23Å; Q46-I50 PolarHBondContact O-N 3.1Å; I50-L52 PolarHBondContact O-N 3.3Å; I50-T53 WeakPolarHBondContact CA-OG1 3.49Å; I50-T53 PolarHBondContact O-OG1 3.46Å; I50-S54 VanDerWaalsContact O-CB 3.31Å; I50-S54 WeakPolarHBondContact O-CB 3.44Å; I50-S54 PolarHBondContact O-N 3.33Å; I50-S54 PolarHBondContact O-OG 2.94Å; I50-S54 VanDerWaalsContact O-OG 3.13Å; I50-V73 HydrophobicContact CG2-CG1 3.87Å; I50-I77 HydrophobicContact CD1-CD1 4Å; I50-I77 HydrophobicContact CG1-CD1 3.71Å
51K91.1Very high88.6Confident156 Ų15683 Ų8368%0.67840%0.399SS*.Hα-helixtrans-64.1-40.1179.3-174.9176.9-179.3178.30112.4Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3.45Å; Q47-K51 PolarHBondContact O-N 3.29Å; W48-K51 PolarHBondContact O-N 3.36Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 2.99Å; K51-S54 PolarHBondContact O-OG 3.09Å; K51-S54 VanDerWaalsContact O-OG 3.06Å; K51-K55 VanDerWaalsContact O-CB 3.25Å; K51-K55 WeakPolarHBondContact O-CB 3.02Å; K51-K55 PolarHBondContact O-N 3.34Å
52L91.5Very high88.3Confident65 Ų6578.5 Ų78.534%0.3439%0.391SS..Hα-helixtrans-66.7-50.6178-75.7177.7000111.8W48 L49 I50 S54 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.7Å; W48-L52 HydrophobicContact CD2-CG 4.36Å; W48-L52 HydrophobicContact CE3-CD1 3.71Å; W48-L52 HydrophobicContact CH2-CD1 3.41Å; W48-L52 VanDerWaalsContact CH2-CD1 3.41Å; W48-L52 HydrophobicContact CZ2-CD1 3.4Å; W48-L52 VanDerWaalsContact CZ2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CG 4.43Å; W48-L52 HydrophobicContact CZ3-CD1 3.55Å; W48-L52 WeakPolarHBondContact O-CG 3.36Å; W48-L52 PolarHBondContact O-N 2.98Å; L49-L52 PolarHBondContact O-N 3.47Å; I50-L52 PolarHBondContact O-N 3.3Å; L52-S54 PolarHBondContact O-N 3.02Å; L52-K55 PolarHBondContact O-N 3.45Å; L52-Q56 WeakPolarHBondContact O-CG 3.19Å; L52-Q56 PolarHBondContact O-N 3.41Å
53T88.8Confident87.8Confident28 Ų2879.9 Ų79.917%0.17240%0.403CS..Hα-helixtrans-61.3-45.2179.650.60000111.2L49 I50 K55 Q56 M57L49-T53 WeakPolarHBondContact O-CG2 3.2Å; L49-T53 PolarHBondContact O-N 3.47Å; L49-T53 PolarHBondContact O-OG1 3.43Å; I50-T53 WeakPolarHBondContact CA-OG1 3.49Å; I50-T53 PolarHBondContact O-OG1 3.46Å; T53-K55 VanDerWaalsContact C-N 3.33Å; T53-K55 PolarHBondContact O-N 3.36Å; T53-Q56 PolarHBondContact O-N 2.87Å; T53-M57 WeakPolarHBondContact O-CG 3.33Å; T53-M57 PolarHBondContact O-N 2.84Å
54S89.6Confident87.3Confident32 Ų3285 Ų8522%0.22443%0.425CS..Hα-helixtrans-62-40.4175.971.10000112.1I50 K51 L52 M58I50-S54 VanDerWaalsContact O-CB 3.31Å; I50-S54 WeakPolarHBondContact O-CB 3.44Å; I50-S54 PolarHBondContact O-N 3.33Å; I50-S54 PolarHBondContact O-OG 2.94Å; I50-S54 VanDerWaalsContact O-OG 3.13Å; K51-S54 PolarHBondContact O-OG 3.09Å; K51-S54 VanDerWaalsContact O-OG 3.06Å; L52-S54 PolarHBondContact O-N 3.02Å; S54-M58 WeakPolarHBondContact O-CB 3.46Å; S54-M58 WeakPolarHBondContact O-CG 3.38Å; S54-M58 PolarHBondContact O-N 3.15Å
55K89.3Confident86.7Confident151 Ų15182 Ų8266%0.65741%0.406SS*.Hα-helixtrans-65.1-44.6179-174.3-179.6179-174.70111.1K51 L52 T53 T59K51-K55 VanDerWaalsContact O-CB 3.25Å; K51-K55 WeakPolarHBondContact O-CB 3.02Å; K51-K55 PolarHBondContact O-N 3.34Å; L52-K55 PolarHBondContact O-N 3.45Å; T53-K55 VanDerWaalsContact C-N 3.33Å; T53-K55 PolarHBondContact O-N 3.36Å; K55-T59 WeakPolarHBondContact O-CG2 3.35Å; K55-T59 PolarHBondContact O-N 3.46Å
56Q86.9Confident86.3Confident128 Ų12884.5 Ų84.560%0.59841%0.407SS*.Hα-helixtrans-69.2-37.4-179.1-73.4-178.4-25.600113.1L52 T53 T59L52-Q56 WeakPolarHBondContact O-CG 3.19Å; L52-Q56 PolarHBondContact O-N 3.41Å; T53-Q56 PolarHBondContact O-N 2.87Å; Q56-T59 PolarHBondContact O-OG1 2.8Å
57M85.3Confident86.1Confident14 Ų1487.5 Ų87.57%0.06943%0.428CS..Hα-helixtrans-74.3-37.2177.8-70.2-174.2169.700112.5T53 T59 H61 L72 I76 Y212 T215T53-M57 WeakPolarHBondContact O-CG 3.33Å; T53-M57 PolarHBondContact O-N 2.84Å; M57-T59 PolarHBondContact O-N 3.1Å; M57-H61 PolarHBondContact O-ND1 3.15Å; M57-L72 HydrophobicContact SD-CB 4.47Å; M57-I76 HydrophobicContact CE-CB 4.44Å; M57-I76 HydrophobicContact CE-CD1 3.57Å; M57-Y212 HydrophobicContact CE-CD2 4.39Å; M57-T215 WeakPolarHBondContact CE-OG1 3.42Å
58M85.9Confident85.9Confident17 Ų1785.1 Ų85.18%0.08442%0.415CS..Hα-helixtrans-81.3-10.4-174.5-65.2-58.6121.200114.5S54 M60 H61 R66 S69 L72S54-M58 WeakPolarHBondContact O-CB 3.46Å; S54-M58 WeakPolarHBondContact O-CG 3.38Å; S54-M58 PolarHBondContact O-N 3.15Å; M58-M60 PolarHBondContact O-N 3.11Å; M58-H61 PolarHBondContact O-N 2.78Å; M58-R66 HydrophobicContact CB-CG 4.47Å; M58-R66 HydrophobicContact SD-CB 4.37Å; M58-R66 HydrophobicContact SD-CG 4.04Å; M58-S69 WeakPolarHBondContact SD-CB 3.15Å; M58-L72 HydrophobicContact CE-CD1 3.82Å
59T85.1Confident85.7Confident92 Ų9278.6 Ų78.656%0.56439%0.394SS*.THydrogen-bonded Turntrans-64.2-32174.150.10000112.1K55 Q56 M57 H61K55-T59 WeakPolarHBondContact O-CG2 3.35Å; K55-T59 PolarHBondContact O-N 3.46Å; Q56-T59 PolarHBondContact O-OG1 2.8Å; M57-T59 PolarHBondContact O-N 3.1Å; T59-H61 VanDerWaalsContact C-N 3.3Å; T59-H61 PolarHBondContact O-N 3.15Å
60M78.1Confident85.7Confident125 Ų12580.9 Ų80.962%0.61641%0.406SS*.THydrogen-bonded Turntrans-78.8-12.1-179.8-56.5-98.982.500112.9M58 H223M58-M60 PolarHBondContact O-N 3.11Å; M60-H223 PolarHBondContact O-CE1 3.33Å; M60-H223 PolarHBondContact O-ND1 2.74Å
61H82.7Confident85.7Confident7 Ų780.4 Ų80.43%0.03240%0.403CS..  trans-110.7140.2-167.5-68.478.4000113.9M57 M58 T59 R66 S219M57-H61 PolarHBondContact O-ND1 3.15Å; M58-H61 PolarHBondContact O-N 2.78Å; T59-H61 VanDerWaalsContact C-N 3.3Å; T59-H61 PolarHBondContact O-N 3.15Å; H61-R66 HydrophobicContact CB-CG 4.42Å; H61-R66 PolarHBondContact O-NE 3.14Å; H61-S219 PolarHBondContact NE2-O 3.48Å
62N80.9Confident85.7Confident116 Ų11673 Ų7362%0.6237%0.371SS*.  trans-71.5171.1168.8-94.9-18.2000112.5K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.27Å; N62-K64 PolarHBondContact O-N 3.04Å; N62-G65 PolarHBondContact O-N 3.23Å; N62-R66 WeakPolarHBondContact O-CG 3.39Å; N62-R66 PolarHBondContact O-N 3.45Å
63T80.5Confident85.7Confident114 Ų11470.6 Ų70.670%0.69936%0.359SS*.THydrogen-bonded Turntrans-53.6-38.1-176.254.20000114
64K78.9Confident85.8Confident123 Ų12372.5 Ų72.554%0.53537%0.373SS..THydrogen-bonded Turntrans-67.6-45.2174.7-69.9-177.6-179.1176.70112.2N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.27Å; N62-K64 PolarHBondContact O-N 3.04Å; K64-R66 VanDerWaalsContact C-N 3.27Å; K64-R66 PolarHBondContact O-N 3.43Å; K64-T67 WeakPolarHBondContact O-CB 3.39Å; K64-T67 PolarHBondContact O-N 2.75Å; K64-T67 PolarHBondContact O-OG1 3.45Å
65G78.5Confident85.9Confident0 Ų071.7 Ų71.70%037%0.367CS..G310 helixtrans-63.5-31.3177.200000113N62 T67 W68N62-G65 PolarHBondContact O-N 3.23Å; G65-T67 PolarHBondContact O-N 3.12Å; G65-T67 VanDerWaalsContact O-N 3.15Å; G65-W68 PolarHBondContact O-N 2.92Å
66R83.4Confident86Confident136 Ų13665.4 Ų65.451%0.51334%0.34SS..G310 helixtrans-62.7-20.1175.9-71.3-179.8-176.1-174.80.7114.2M58 H61 N62 K64 W68 S69M58-R66 HydrophobicContact CB-CG 4.47Å; M58-R66 HydrophobicContact SD-CB 4.37Å; M58-R66 HydrophobicContact SD-CG 4.04Å; H61-R66 HydrophobicContact CB-CG 4.42Å; H61-R66 PolarHBondContact O-NE 3.14Å; N62-R66 WeakPolarHBondContact O-CG 3.39Å; N62-R66 PolarHBondContact O-N 3.45Å; K64-R66 VanDerWaalsContact C-N 3.27Å; K64-R66 PolarHBondContact O-N 3.43Å; R66-W68 PolarHBondContact O-N 3.45Å; R66-S69 WeakPolarHBondContact O-CB 3.45Å; R66-S69 PolarHBondContact O-N 3.49Å; R66-S69 VanDerWaalsContact O-N 3.1Å
67T86.6Confident86.2Confident104 Ų10461.3 Ų61.364%0.63832%0.322SS*.G310 helixtrans-63.5-26174.162.10000112.5K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.39Å; K64-T67 PolarHBondContact O-N 2.75Å; K64-T67 PolarHBondContact O-OG1 3.45Å; G65-T67 PolarHBondContact O-N 3.12Å; G65-T67 VanDerWaalsContact O-N 3.15Å; T67-S69 VanDerWaalsContact C-N 3.28Å; T67-S69 PolarHBondContact O-N 3.36Å
68W86.8Confident86.5Confident52 Ų5262.9 Ų62.920%0.19733%0.328CS..G310 helixtrans-85.32177.2-72.159.7000113.5G65 R66 L70 M71 L72 M115 L222G65-W68 PolarHBondContact O-N 2.92Å; R66-W68 PolarHBondContact O-N 3.45Å; W68-L70 VanDerWaalsContact C-N 3.31Å; W68-L70 PolarHBondContact O-N 3.11Å; W68-M71 HydrophobicContact CD2-CE 4.22Å; W68-M71 HydrophobicContact CE3-CE 3.09Å; W68-M71 HydrophobicContact CE3-SD 3.69Å; W68-M71 HydrophobicContact CH2-SD 4.48Å; W68-M71 HydrophobicContact CZ3-CE 3.34Å; W68-M71 HydrophobicContact CZ3-SD 3.59Å; W68-M71 VanDerWaalsContact CZ3-SD 3.59Å; W68-M71 PolarHBondContact O-N 2.87Å; W68-M71 VanDerWaalsContact O-N 3.11Å; W68-L72 PolarHBondContact O-N 3.29Å; W68-M115 HydrophobicContact CZ2-SD 3.98Å; W68-M115 PolarHBondContact NE1-SD 3.37Å; W68-L222 HydrophobicContact CB-CD2 3.47Å; W68-L222 VanDerWaalsContact CB-CD2 3.47Å; W68-L222 HydrophobicContact CD2-CD1 3.81Å; W68-L222 HydrophobicContact CD2-CD2 4.19Å; W68-L222 HydrophobicContact CE3-CD1 4.1Å; W68-L222 HydrophobicContact CG-CD1 3.98Å; W68-L222 HydrophobicContact CG-CD2 3.65Å; W68-L222 HydrophobicContact CG-CG 4.5Å
69S87.9Confident86.8Confident30 Ų3062.1 Ų62.121%0.2132%0.324CS..Hα-helixtrans-54-47-177.9-178.80000112.5M58 R66 T67 M71 L72 V73M58-S69 WeakPolarHBondContact SD-CB 3.15Å; R66-S69 WeakPolarHBondContact O-CB 3.45Å; R66-S69 PolarHBondContact O-N 3.49Å; R66-S69 VanDerWaalsContact O-N 3.1Å; T67-S69 VanDerWaalsContact C-N 3.28Å; T67-S69 PolarHBondContact O-N 3.36Å; S69-M71 VanDerWaalsContact C-N 3.29Å; S69-M71 PolarHBondContact O-N 3.35Å; S69-L72 PolarHBondContact O-N 3.06Å; S69-V73 WeakPolarHBondContact O-CB 3.27Å; S69-V73 VanDerWaalsContact O-CG2 3.25Å; S69-V73 WeakPolarHBondContact O-CG2 3.2Å; S69-V73 PolarHBondContact O-N 3.39Å
70L90.9Very high87.1Confident148 Ų14859.1 Ų59.178%0.77531%0.309SS*.Hα-helixtrans-58.6-43.8-179.7-172.4111000111.4W68 S74W68-L70 VanDerWaalsContact C-N 3.31Å; W68-L70 PolarHBondContact O-N 3.11Å; L70-S74 WeakPolarHBondContact O-CB 3.14Å; L70-S74 PolarHBondContact O-N 3.2Å; L70-S74 PolarHBondContact O-OG 2.64Å
71M91.3Very high87.7Confident50 Ų5054.6 Ų54.625%0.24629%0.288CS..Hα-helixtrans-66.5-48.1-178.7-168.2-163.873.600111.1W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 4.22Å; W68-M71 HydrophobicContact CE3-CE 3.09Å; W68-M71 HydrophobicContact CE3-SD 3.69Å; W68-M71 HydrophobicContact CH2-SD 4.48Å; W68-M71 HydrophobicContact CZ3-CE 3.34Å; W68-M71 HydrophobicContact CZ3-SD 3.59Å; W68-M71 VanDerWaalsContact CZ3-SD 3.59Å; W68-M71 PolarHBondContact O-N 2.87Å; W68-M71 VanDerWaalsContact O-N 3.11Å; S69-M71 VanDerWaalsContact C-N 3.29Å; S69-M71 PolarHBondContact O-N 3.35Å; M71-V73 VanDerWaalsContact C-N 3.34Å; M71-V73 PolarHBondContact O-N 3.05Å; M71-S74 PolarHBondContact O-N 3.15Å; M71-S74 PolarHBondContact O-OG 3.46Å; M71-L75 VanDerWaalsContact O-CB 3.3Å; M71-L75 WeakPolarHBondContact O-CB 3.21Å; M71-L75 PolarHBondContact O-N 2.86Å; M71-L108 HydrophobicContact CE-CD2 3.35Å; M71-L108 HydrophobicContact CG-CD2 4.23Å; M71-L108 HydrophobicContact SD-CD2 3.42Å; M71-L108 WeakPolarHBondContact SD-CD2 3.48Å
72L90.5Very high88.1Confident1 Ų154.5 Ų54.51%0.00529%0.288CS..Hα-helixtrans-61.1-41.4178.4-71.1170.8000112.5M57 M58 W68 S69 L75 I76 V218M57-L72 HydrophobicContact SD-CB 4.47Å; M58-L72 HydrophobicContact CE-CD1 3.82Å; W68-L72 PolarHBondContact O-N 3.29Å; S69-L72 PolarHBondContact O-N 3.06Å; L72-L75 PolarHBondContact O-N 3.37Å; L72-I76 PolarHBondContact O-N 3.11Å; L72-I76 VanDerWaalsContact O-N 3.07Å; L72-V218 HydrophobicContact CD2-CB 4.14Å; L72-V218 HydrophobicContact CD2-CG1 3.79Å
73V91.5Very high88.6Confident15 Ų1549 Ų499%0.09126%0.259CS..Hα-helixtrans-67.8-42.7177.1172.10000111.2I50 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.87Å; S69-V73 WeakPolarHBondContact O-CB 3.27Å; S69-V73 VanDerWaalsContact O-CG2 3.25Å; S69-V73 WeakPolarHBondContact O-CG2 3.2Å; S69-V73 PolarHBondContact O-N 3.39Å; M71-V73 VanDerWaalsContact C-N 3.34Å; M71-V73 PolarHBondContact O-N 3.05Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 2.95Å; V73-I76 VanDerWaalsContact O-CG2 3.27Å; V73-I76 WeakPolarHBondContact O-CG2 3.43Å; V73-I77 HydrophobicContact CG1-CD1 3.77Å; V73-I77 VanDerWaalsContact O-CD1 3.3Å; V73-I77 WeakPolarHBondContact O-CD1 3.29Å; V73-I77 VanDerWaalsContact O-CG1 3.22Å; V73-I77 WeakPolarHBondContact O-CG1 3.36Å; V73-I77 PolarHBondContact O-N 3.31Å
74S91.6Very high89.1Confident67 Ų6748.1 Ų48.147%0.46925%0.25SC..Hα-helixtrans-62.6-38.1176.470.20000112L70 M71 F78L70-S74 WeakPolarHBondContact O-CB 3.14Å; L70-S74 PolarHBondContact O-N 3.2Å; L70-S74 PolarHBondContact O-OG 2.64Å; M71-S74 PolarHBondContact O-N 3.15Å; M71-S74 PolarHBondContact O-OG 3.46Å; S74-F78 VanDerWaalsContact O-CB 3.3Å; S74-F78 WeakPolarHBondContact O-CB 3.47Å; S74-F78 PolarHBondContact O-N 3.17Å
75L91.1Very high89.6Confident15 Ų1544 Ų448%0.07923%0.233CC..Hα-helixtrans-66.7-48.2-179.3-174.287.2000112M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 VanDerWaalsContact O-CB 3.3Å; M71-L75 WeakPolarHBondContact O-CB 3.21Å; M71-L75 PolarHBondContact O-N 2.86Å; L72-L75 PolarHBondContact O-N 3.37Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 2.95Å; L75-I77 VanDerWaalsContact C-N 3.29Å; L75-I77 PolarHBondContact O-N 3.45Å; L75-F78 PolarHBondContact O-N 3.23Å; L75-I79 HydrophobicContact CD1-CD1 4.24Å; L75-I79 HydrophobicContact CD2-CD1 4.4Å; L75-I79 HydrophobicContact CG-CD1 3.9Å; L75-I79 WeakPolarHBondContact O-CG1 3.35Å; L75-I79 PolarHBondContact O-N 3.46Å; L75-L108 HydrophobicContact CD1-CD1 3.42Å; L75-L108 VanDerWaalsContact CD1-CD1 3.42Å; L75-L108 HydrophobicContact CD2-CD1 3.97Å; L75-L108 HydrophobicContact CG-CD1 4.34Å; L75-F214 HydrophobicContact CD1-CE1 4.24Å; L75-F214 HydrophobicContact CD2-CD1 3.76Å; L75-F214 HydrophobicContact CD2-CE1 3.66Å; L75-F214 HydrophobicContact CG-CD1 4.46Å; L75-F214 HydrophobicContact CG-CE1 4.28Å; L75-T215 HydrophobicContact CB-CG2 4.23Å; L75-T215 HydrophobicContact CD2-CG2 3.44Å; L75-T215 VanDerWaalsContact CD2-CG2 3.44Å; L75-T215 HydrophobicContact CG-CG2 3.94Å
76I91.8Very high90Very high19 Ų1944 Ų4410%0.09723%0.234CC..Hα-helixtrans-62.7-40.9-179.9-170167.2000110.9M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CB 4.44Å; M57-I76 HydrophobicContact CE-CD1 3.57Å; L72-I76 PolarHBondContact O-N 3.11Å; L72-I76 VanDerWaalsContact O-N 3.07Å; V73-I76 VanDerWaalsContact O-CG2 3.27Å; V73-I76 WeakPolarHBondContact O-CG2 3.43Å; I76-A80 WeakPolarHBondContact O-CB 3.42Å; I76-A80 PolarHBondContact O-N 3.19Å; I76-A211 HydrophobicContact CG1-CB 4.43Å; I76-Y212 HydrophobicContact CD1-CD2 4.21Å; I76-T215 VanDerWaalsContact CA-CG2 3.47Å; I76-T215 HydrophobicContact CB-CG2 3.48Å; I76-T215 VanDerWaalsContact CB-CG2 3.48Å; I76-T215 HydrophobicContact CG1-CG2 4.09Å
77I91.7Very high90.1Very high42 Ų4239.3 Ų39.322%0.21522%0.218CC..Hα-helixtrans-66.5-42.5178.7-63.2165000110.3I31 I50 V73 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.34Å; I31-I77 HydrophobicContact CG1-CG2 4.41Å; I50-I77 HydrophobicContact CD1-CD1 4Å; I50-I77 HydrophobicContact CG1-CD1 3.71Å; V73-I77 HydrophobicContact CG1-CD1 3.77Å; V73-I77 VanDerWaalsContact O-CD1 3.3Å; V73-I77 WeakPolarHBondContact O-CD1 3.29Å; V73-I77 VanDerWaalsContact O-CG1 3.22Å; V73-I77 WeakPolarHBondContact O-CG1 3.36Å; V73-I77 PolarHBondContact O-N 3.31Å; L75-I77 VanDerWaalsContact C-N 3.29Å; L75-I77 PolarHBondContact O-N 3.45Å; I77-T81 HydrophobicContact CG2-CG2 4.29Å; I77-T81 WeakPolarHBondContact O-CB 3.43Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.32Å; I77-T81 PolarHBondContact O-N 3.47Å; I77-T81 PolarHBondContact O-OG1 3.01Å
78F91.3Very high90.2Very high48 Ų4839.1 Ų39.121%0.21121%0.213CC..Hα-helixtrans-62.6-48.9178.5179.8-102.5000112.4I24 S74 L75 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.32Å; S74-F78 VanDerWaalsContact O-CB 3.3Å; S74-F78 WeakPolarHBondContact O-CB 3.47Å; S74-F78 PolarHBondContact O-N 3.17Å; L75-F78 PolarHBondContact O-N 3.23Å; F78-T81 PolarHBondContact O-OG1 3.36Å; F78-T81 VanDerWaalsContact O-OG1 3.1Å; F78-T82 HydrophobicContact CD2-CG2 4.32Å; F78-T82 HydrophobicContact CE1-CG2 4.22Å; F78-T82 HydrophobicContact CE2-CG2 3.93Å; F78-T82 HydrophobicContact CZ-CG2 3.87Å; F78-T82 WeakPolarHBondContact O-CB 3.31Å; F78-T82 WeakPolarHBondContact O-CG2 2.87Å; F78-T82 PolarHBondContact O-N 3.18Å; F78-T82 PolarHBondContact O-OG1 2.95Å; F78-M100 HydrophobicContact CE1-CE 3.74Å; F78-M100 HydrophobicContact CZ-CE 3.76Å; F78-M104 HydrophobicContact CD1-SD 3.88Å; F78-M104 HydrophobicContact CE1-CE 4.36Å; F78-M104 HydrophobicContact CE1-SD 3.58Å; F78-M104 VanDerWaalsContact CE1-SD 3.58Å
79I91.4Very high89.9Confident0 Ų042 Ų420%024%0.239CC..Hα-helixtrans-68.4-41.7-179.5-59.7169.6000110.7L75 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 4.24Å; L75-I79 HydrophobicContact CD2-CD1 4.4Å; L75-I79 HydrophobicContact CG-CD1 3.9Å; L75-I79 WeakPolarHBondContact O-CG1 3.35Å; L75-I79 PolarHBondContact O-N 3.46Å; I79-T82 WeakPolarHBondContact CA-OG1 3.27Å; I79-T82 PolarHBondContact O-OG1 3.36Å; I79-N83 WeakPolarHBondContact O-CB 2.88Å; I79-N83 VanDerWaalsContact O-CG 3.23Å; I79-N83 PolarHBondContact O-N 3.38Å; I79-N83 PolarHBondContact O-ND2 3.15Å; I79-L160 HydrophobicContact CG2-CD1 4.18Å; I79-L160 HydrophobicContact CG2-CD2 4.12Å; I79-A211 HydrophobicContact CB-CB 4.02Å; I79-A211 HydrophobicContact CG2-CB 3.78Å; I79-F214 HydrophobicContact CD1-CB 4.27Å; I79-F214 HydrophobicContact CD1-CD1 3.37Å; I79-F214 HydrophobicContact CD1-CD2 4.37Å; I79-F214 HydrophobicContact CD1-CE1 3.71Å; I79-F214 HydrophobicContact CD1-CG 3.75Å; I79-F214 HydrophobicContact CD1-CZ 4.34Å
80A91Very high89.7Confident30 Ų3050.2 Ų50.225%0.24827%0.273CS..Hα-helixtrans-63.5-44.3179.100000111.9I76 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.42Å; I76-A80 PolarHBondContact O-N 3.19Å; A80-L84 VanDerWaalsContact O-CB 3.28Å; A80-L84 WeakPolarHBondContact O-CB 3.35Å; A80-L84 PolarHBondContact O-N 3.38Å; A80-A211 HydrophobicContact CB-CB 3.91Å
81T91.4Very high89.4Confident29 Ų2944.9 Ų44.918%0.17825%0.248CC..Hα-helixtrans-68.7-46.3179.351.80000111.7P27 I77 F78 N83 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.49Å; I77-T81 HydrophobicContact CG2-CG2 4.29Å; I77-T81 WeakPolarHBondContact O-CB 3.43Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.32Å; I77-T81 PolarHBondContact O-N 3.47Å; I77-T81 PolarHBondContact O-OG1 3.01Å; F78-T81 PolarHBondContact O-OG1 3.36Å; F78-T81 VanDerWaalsContact O-OG1 3.1Å; T81-N83 PolarHBondContact O-N 3.05Å; T81-L84 PolarHBondContact O-N 3.21Å; T81-L85 WeakPolarHBondContact O-CB 3.48Å; T81-L85 WeakPolarHBondContact O-CD1 3.39Å; T81-L85 PolarHBondContact O-N 3.35Å
82T91.2Very high89Confident5 Ų543.9 Ų43.93%0.03124%0.243CC..Hα-helixtrans-59.7-43.1177.148.10000112.9P27 F78 I79 G86 P94P27-T82 HydrophobicContact CB-CG2 4.24Å; P27-T82 HydrophobicContact CG-CG2 3.47Å; P27-T82 VanDerWaalsContact CG-CG2 3.47Å; F78-T82 HydrophobicContact CD2-CG2 4.32Å; F78-T82 HydrophobicContact CE1-CG2 4.22Å; F78-T82 HydrophobicContact CE2-CG2 3.93Å; F78-T82 HydrophobicContact CZ-CG2 3.87Å; F78-T82 WeakPolarHBondContact O-CB 3.31Å; F78-T82 WeakPolarHBondContact O-CG2 2.87Å; F78-T82 PolarHBondContact O-N 3.18Å; F78-T82 PolarHBondContact O-OG1 2.95Å; I79-T82 WeakPolarHBondContact CA-OG1 3.27Å; I79-T82 PolarHBondContact O-OG1 3.36Å; T82-G86 PolarHBondContact O-N 3.2Å; T82-G86 VanDerWaalsContact O-N 3.08Å; T82-P94 HydrophobicContact CG2-CG 4.46Å
83N91.4Very high88.7Confident0 Ų044 Ų440%024%0.244CC..Hα-helixtrans-67.8-42.3177.6-70.8-15.1000112.2I79 T81 G86 L87 T95 L160 I164 A207I79-N83 WeakPolarHBondContact O-CB 2.88Å; I79-N83 VanDerWaalsContact O-CG 3.23Å; I79-N83 PolarHBondContact O-N 3.38Å; I79-N83 PolarHBondContact O-ND2 3.15Å; T81-N83 PolarHBondContact O-N 3.05Å; N83-G86 WeakPolarHBondContact O-CA 3.44Å; N83-G86 PolarHBondContact O-N 3.46Å; N83-G86 VanDerWaalsContact O-N 3.15Å; N83-L87 PolarHBondContact O-N 3.07Å; N83-T95 WeakPolarHBondContact OD1-CB 3.45Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.31Å; N83-T95 PolarHBondContact OD1-OG1 2.94Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.45Å; N83-I164 HydrophobicContact CB-CD1 4.29Å; N83-A207 HydrophobicContact CB-CB 3.91Å; N83-A207 PolarHBondContact ND2-O 2.9Å
84L90.1Very high88.3Confident96 Ų9643.8 Ų43.850%0.50324%0.242SC..Hα-helixtrans-66.5-42.9-179.7-16699000111.7A80 T81 G86 L87 I204A80-L84 VanDerWaalsContact O-CB 3.28Å; A80-L84 WeakPolarHBondContact O-CB 3.35Å; A80-L84 PolarHBondContact O-N 3.38Å; T81-L84 PolarHBondContact O-N 3.21Å; L84-G86 PolarHBondContact O-N 3.11Å; L84-L87 PolarHBondContact O-N 3.17Å; L84-I204 HydrophobicContact CD1-CG2 4.39Å
85L90Very high88Confident36 Ų3640.6 Ų40.619%0.18822%0.22CC..Hα-helixtrans-60.9-32.7173.6-91.984.9000111.7F26 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD2 3.32Å; F26-L85 HydrophobicContact CE1-CD2 3.55Å; L30-L85 HydrophobicContact CD1-CD1 3.42Å; L30-L85 VanDerWaalsContact CD1-CD1 3.42Å; L30-L85 HydrophobicContact CD1-CD2 3.87Å; L30-L85 HydrophobicContact CD1-CG 4.13Å; T81-L85 WeakPolarHBondContact O-CB 3.48Å; T81-L85 WeakPolarHBondContact O-CD1 3.39Å; T81-L85 PolarHBondContact O-N 3.35Å; L85-L87 VanDerWaalsContact C-N 3.25Å; L85-L87 PolarHBondContact O-N 3.31Å; L85-L88 VanDerWaalsContact O-CB 3.25Å; L85-L88 WeakPolarHBondContact O-CB 3.45Å; L85-L88 VanDerWaalsContact O-CG 3.31Å; L85-L88 WeakPolarHBondContact O-CG 3.26Å; L85-L88 PolarHBondContact O-N 3.17Å; L85-L88 VanDerWaalsContact O-N 3.16Å; L85-S91 PolarHBondContact O-OG 2.89Å
86G85.9Confident87.8Confident1 Ų140.3 Ų40.31%0.0122%0.219CC..Hα-helixtrans-58.2-32.6176.800000116.5T82 N83 L84 L88 S91 H168T82-G86 PolarHBondContact O-N 3.2Å; T82-G86 VanDerWaalsContact O-N 3.08Å; N83-G86 WeakPolarHBondContact O-CA 3.44Å; N83-G86 PolarHBondContact O-N 3.46Å; N83-G86 VanDerWaalsContact O-N 3.15Å; L84-G86 PolarHBondContact O-N 3.11Å; G86-L88 PolarHBondContact O-N 2.89Å; G86-S91 VanDerWaalsContact C-OG 3.26Å; G86-S91 WeakPolarHBondContact CA-OG 3.27Å; G86-S91 PolarHBondContact O-OG 2.98Å; G86-H168 PolarHBondContact O-CE1 2.96Å; G86-H168 PolarHBondContact O-NE2 3.32Å
87L86.9Confident87.6Confident37 Ų3742.6 Ų42.619%0.19423%0.229CC..THydrogen-bonded Turntrans-75.7-6.5-179.7-60.1175.5000112.6N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 3.07Å; L84-L87 PolarHBondContact O-N 3.17Å; L85-L87 VanDerWaalsContact C-N 3.25Å; L85-L87 PolarHBondContact O-N 3.31Å; L87-M171 HydrophobicContact CD2-CE 3.97Å; L87-E203 HydrophobicContact CD1-CG 4.44Å; L87-E203 HydrophobicContact CD2-CB 4.19Å; L87-E203 HydrophobicContact CD2-CG 3.4Å; L87-E203 VanDerWaalsContact CD2-CG 3.4Å; L87-I204 HydrophobicContact CD1-CB 4.22Å; L87-I204 HydrophobicContact CD1-CG1 3.62Å; L87-A207 HydrophobicContact CD1-CB 4.08Å
88L87.4Confident87.4Confident101 Ų10143.9 Ų43.953%0.52924%0.236SC..SBendtrans-67.1143.3174.7-65.4173.5000110.6L85 G86 H90 S91L85-L88 VanDerWaalsContact O-CB 3.25Å; L85-L88 WeakPolarHBondContact O-CB 3.45Å; L85-L88 VanDerWaalsContact O-CG 3.31Å; L85-L88 WeakPolarHBondContact O-CG 3.26Å; L85-L88 PolarHBondContact O-N 3.17Å; L85-L88 VanDerWaalsContact O-N 3.16Å; G86-L88 PolarHBondContact O-N 2.89Å; L88-H90 PolarHBondContact O-N 2.87Å; L88-S91 WeakPolarHBondContact O-CB 3.39Å; L88-S91 PolarHBondContact O-N 3.3Å; L88-S91 VanDerWaalsContact O-N 3.14Å; L88-S91 PolarHBondContact O-OG 3.31Å
89P82.1Confident87.3Confident113 Ų11345.6 Ų45.673%0.73425%0.254SS*.THydrogen-bonded Turntrans-58.8134.5-179.225-34.1000110.7S91P89-S91 PolarHBondContact O-N 2.91Å; P89-S91 VanDerWaalsContact O-N 3.1Å
90H82.9Confident87.1Confident202 Ų20247.6 Ų47.694%0.93526%0.264SS*.THydrogen-bonded Turntrans57.915.9-178.8-57.6-67000115.9L88L88-H90 PolarHBondContact O-N 2.87Å
91S84.4Confident87Confident36 Ų3646.1 Ų46.125%0.25225%0.252SS..  trans-80.5142.9172.273.30000111.1L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 2.89Å; G86-S91 VanDerWaalsContact C-OG 3.26Å; G86-S91 WeakPolarHBondContact CA-OG 3.27Å; G86-S91 PolarHBondContact O-OG 2.98Å; L88-S91 WeakPolarHBondContact O-CB 3.39Å; L88-S91 PolarHBondContact O-N 3.3Å; L88-S91 VanDerWaalsContact O-N 3.14Å; L88-S91 PolarHBondContact O-OG 3.31Å; P89-S91 PolarHBondContact O-N 2.91Å; P89-S91 VanDerWaalsContact O-N 3.1Å
92F82.7Confident86.8Confident29 Ų2946.9 Ų46.913%0.12726%0.255CS..  trans-90123.6171.8171.9-94.8000109.3S8 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.38Å; P12-F92 HydrophobicContact CG-CB 4.44Å; P12-F92 HydrophobicContact CG-CD1 4.15Å; P12-F92 HydrophobicContact CG-CG 4.11Å; A20-F92 HydrophobicContact CB-CE1 4.33Å; I23-F92 HydrophobicContact CD1-CB 3.98Å; I23-F92 HydrophobicContact CD1-CD1 3.9Å; I23-F92 HydrophobicContact CD1-CG 4.32Å; I23-F92 HydrophobicContact CG2-CD1 4.47Å; I23-F92 WeakPolarHBondContact CG2-O 3.26Å; F92-P94 HydrophobicContact CE1-CB 4.44Å; F92-P94 WeakPolarHBondContact O-CD 3.34Å; F92-Q97 HydrophobicContact CZ-CG 4.2Å
93T84.1Confident86.7Confident4 Ų449.8 Ų49.83%0.02528%0.279CS..  trans-92.5110.9178.128.30000111.2T95 T96 I164T93-T95 PolarHBondContact O-N 2.84Å; T93-T96 PolarHBondContact O-N 2.97Å; T93-T96 PolarHBondContact O-OG1 2.88Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.34Å; T93-I164 HydrophobicContact CG2-CG2 4.24Å
94P83.1Confident86.4Confident9 Ų951 Ų516%0.05829%0.285CS..G310 helixtrans-64-23.2176.426.2-33.5000112.7I24 T82 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.28Å; I24-P94 HydrophobicContact CG1-CB 3.71Å; I24-P94 HydrophobicContact CG1-CG 4.07Å; T82-P94 HydrophobicContact CG2-CG 4.46Å; F92-P94 HydrophobicContact CE1-CB 4.44Å; F92-P94 WeakPolarHBondContact O-CD 3.34Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.03Å; P94-Q97 PolarHBondContact O-N 3.26Å; P94-M100 WeakPolarHBondContact O-CB 3.38Å
95T85.9Confident86.3Confident1 Ų146.5 Ų46.51%0.00626%0.262CS..G310 helixtrans-75.6-8.6179.253.40000114.3N83 T93 Q97 N101 L160N83-T95 WeakPolarHBondContact OD1-CB 3.45Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.31Å; N83-T95 PolarHBondContact OD1-OG1 2.94Å; T93-T95 PolarHBondContact O-N 2.84Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; T95-N101 PolarHBondContact O-ND2 3.16Å; T95-L160 HydrophobicContact CG2-CD2 4.49Å
96T85.9Confident86.2Confident9 Ų948.7 Ų48.76%0.05527%0.273CS..G310 helixtrans-73.6-27.5170.556.30000112.4F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.87Å; F9-T96 HydrophobicContact CE1-CG2 3.74Å; T93-T96 PolarHBondContact O-N 2.97Å; T93-T96 PolarHBondContact O-OG1 2.88Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.34Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.03Å; T96-L98 PolarHBondContact O-N 3.38Å; T96-T161 WeakPolarHBondContact O-CG2 3.36Å; T96-I164 HydrophobicContact CG2-CB 4.42Å; T96-I164 HydrophobicContact CG2-CG2 3.72Å; T96-T165 HydrophobicContact CG2-CG2 3.72Å
97Q89.1Confident86.4Confident67 Ų6752.4 Ų52.431%0.31330%0.297SS..SBendtrans-78.3120.8178.7-65.8-63.4-2900109.9F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 3.35Å; F92-Q97 HydrophobicContact CZ-CG 4.2Å; P94-Q97 PolarHBondContact O-N 3.26Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; Q97-S99 PolarHBondContact O-N 3.45Å; Q97-M100 PolarHBondContact O-N 3.09Å; Q97-M100 VanDerWaalsContact O-N 3.11Å; Q97-N101 PolarHBondContact O-N 3.33Å
98L87.2Confident86.4Confident68 Ų6851.7 Ų51.736%0.35629%0.293SS..Hα-helixtrans-58.2-33.1178.6-176.864.4000112.2T96 M100 N101 L102 M154 A157 V158 T161T96-L98 PolarHBondContact O-N 3.38Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.36Å; L98-N101 PolarHBondContact O-N 3.48Å; L98-L102 VanDerWaalsContact O-CB 3.23Å; L98-L102 WeakPolarHBondContact O-CB 3.11Å; L98-L102 PolarHBondContact O-N 3.08Å; L98-M154 HydrophobicContact CD2-CE 4.1Å; L98-A157 HydrophobicContact CD1-CB 4.41Å; L98-V158 HydrophobicContact CD1-CG2 3.88Å; L98-T161 VanDerWaalsContact CA-CG2 3.44Å; L98-T161 HydrophobicContact CB-CG2 4.01Å; L98-T161 HydrophobicContact CD1-CG2 3.99Å
99S88.6Confident86.4Confident85 Ų8548.7 Ų48.759%0.59428%0.275SS*.Hα-helixtrans-56.6-43.8176.456.30000112.5Q97 A103Q97-S99 PolarHBondContact O-N 3.45Å; S99-A103 WeakPolarHBondContact O-CB 3.21Å; S99-A103 PolarHBondContact O-N 3.42Å
100M87.9Confident86.5Confident41 Ų4144.6 Ų44.620%0.20225%0.25CS..Hα-helixtrans-66.7-47.5-179.6-176.661-172.700111.3I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-SD 4.48Å; I24-M100 HydrophobicContact CG2-CE 4.41Å; F78-M100 HydrophobicContact CE1-CE 3.74Å; F78-M100 HydrophobicContact CZ-CE 3.76Å; P94-M100 WeakPolarHBondContact O-CB 3.38Å; Q97-M100 PolarHBondContact O-N 3.09Å; Q97-M100 VanDerWaalsContact O-N 3.11Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.36Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.17Å; M100-A103 PolarHBondContact O-N 3.37Å; M100-M104 HydrophobicContact CE-CE 4Å; M100-M104 HydrophobicContact CE-CG 4.28Å; M100-M104 HydrophobicContact CE-SD 3.98Å; M100-M104 HydrophobicContact CG-CE 3.82Å; M100-M104 PolarHBondContact O-N 2.79Å
101N88.7Confident86.7Confident0 Ų036 Ų360%022%0.216CC..Hα-helixtrans-67.3-36.9-178.2-66.1-11.7000111.8T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.16Å; Q97-N101 PolarHBondContact O-N 3.33Å; L98-N101 PolarHBondContact O-N 3.48Å; N101-M104 PolarHBondContact O-N 3.37Å; N101-A105 VanDerWaalsContact O-CB 3.29Å; N101-A105 WeakPolarHBondContact O-CB 3.3Å; N101-A105 PolarHBondContact O-N 3.34Å; N101-A157 HydrophobicContact CB-CB 3.91Å; N101-A157 PolarHBondContact ND2-O 3.19Å; N101-L160 HydrophobicContact CB-CD2 4.38Å; N101-L160 VanDerWaalsContact CG-CD2 3.47Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.25Å; N101-L160 VanDerWaalsContact ND2-CG 3.32Å; N101-L160 WeakPolarHBondContact ND2-CG 3.41Å; N101-L160 VanDerWaalsContact OD1-CD2 3.31Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.4Å; N101-T161 HydrophobicContact CB-CG2 4.32Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.41Å; N101-T161 PolarHBondContact ND2-N 3.04Å
102L87Confident86.6Confident45 Ų4534.3 Ų34.324%0.23621%0.205CC..Hα-helixtrans-70.2-39.1176.9-16365.1000111.7L98 M100 M104 A105 I106 M154 A157L98-L102 VanDerWaalsContact O-CB 3.23Å; L98-L102 WeakPolarHBondContact O-CB 3.11Å; L98-L102 PolarHBondContact O-N 3.08Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.17Å; L102-M104 PolarHBondContact O-N 2.95Å; L102-A105 PolarHBondContact O-N 3.27Å; L102-I106 HydrophobicContact CD1-CD1 3.72Å; L102-I106 HydrophobicContact CD1-CG1 3.8Å; L102-I106 HydrophobicContact CD2-CD1 4Å; L102-I106 HydrophobicContact CG-CD1 3.5Å; L102-I106 VanDerWaalsContact CG-CD1 3.5Å; L102-I106 HydrophobicContact CG-CG1 3.96Å; L102-I106 WeakPolarHBondContact O-CG1 3.49Å; L102-I106 PolarHBondContact O-N 3.35Å; L102-M154 HydrophobicContact CD1-SD 3.38Å; L102-M154 WeakPolarHBondContact CD1-SD 3.38Å; L102-M154 HydrophobicContact CD2-SD 4.18Å; L102-M154 HydrophobicContact CG-SD 4.43Å; L102-A157 HydrophobicContact CD1-CB 4.14Å
103A89.4Confident86.6Confident66 Ų6633.6 Ų33.655%0.54520%0.202SC..Hα-helixtrans-62.6-29.7173.300000112.8S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.21Å; S99-A103 PolarHBondContact O-N 3.42Å; M100-A103 PolarHBondContact O-N 3.37Å; A103-P107 WeakPolarHBondContact O-CD 3.08Å; A103-P107 WeakPolarHBondContact O-CG 3.27Å
104M86Confident86.7Confident24 Ų2438 Ų3812%0.11823%0.225CC..Hα-helixtrans-78.9-46.1171-70.2-174.4-78.200112.3F78 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.88Å; F78-M104 HydrophobicContact CE1-CE 4.36Å; F78-M104 HydrophobicContact CE1-SD 3.58Å; F78-M104 VanDerWaalsContact CE1-SD 3.58Å; M100-M104 HydrophobicContact CE-CE 4Å; M100-M104 HydrophobicContact CE-CG 4.28Å; M100-M104 HydrophobicContact CE-SD 3.98Å; M100-M104 HydrophobicContact CG-CE 3.82Å; M100-M104 PolarHBondContact O-N 2.79Å; N101-M104 PolarHBondContact O-N 3.37Å; L102-M104 PolarHBondContact O-N 2.95Å; M104-L108 WeakPolarHBondContact O-CD1 3.39Å; M104-L108 WeakPolarHBondContact O-CG 3.32Å
105A86.9Confident86.6Confident3 Ų339.9 Ų39.93%0.02523%0.234CC..Hα-helixtrans-70.8-44.9-171.200000113.6N101 L102 L108 W109 A157 F214N101-A105 VanDerWaalsContact O-CB 3.29Å; N101-A105 WeakPolarHBondContact O-CB 3.3Å; N101-A105 PolarHBondContact O-N 3.34Å; L102-A105 PolarHBondContact O-N 3.27Å; A105-L108 PolarHBondContact O-N 3.2Å; A105-W109 WeakPolarHBondContact O-CB 3.31Å; A105-W109 PolarHBondContact O-N 2.86Å; A105-A157 HydrophobicContact CB-CB 4.21Å; A105-F214 HydrophobicContact CB-CE2 4.29Å; A105-F214 HydrophobicContact CB-CZ 4.12Å
106I88.1Confident86.1Confident82 Ų8239.9 Ų39.942%0.42123%0.234SC..Hα-helixtrans-62.4-50.4-174.7-65.9177.1000111.9L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.72Å; L102-I106 HydrophobicContact CD1-CG1 3.8Å; L102-I106 HydrophobicContact CD2-CD1 4Å; L102-I106 HydrophobicContact CG-CD1 3.5Å; L102-I106 VanDerWaalsContact CG-CD1 3.5Å; L102-I106 HydrophobicContact CG-CG1 3.96Å; L102-I106 WeakPolarHBondContact O-CG1 3.49Å; L102-I106 PolarHBondContact O-N 3.35Å; I106-L108 VanDerWaalsContact C-N 3.34Å; I106-L108 PolarHBondContact O-N 3.39Å; I106-W109 PolarHBondContact O-N 3.18Å; I106-A110 WeakPolarHBondContact O-CB 3.49Å; I106-A110 PolarHBondContact O-N 2.94Å
107P89.4Confident85.8Confident79 Ų7943.3 Ų43.351%0.51325%0.248SC..Hα-helixtrans-64.8-36.9-178.3-24.136.6000113.1A103 G111A103-P107 WeakPolarHBondContact O-CD 3.08Å; A103-P107 WeakPolarHBondContact O-CG 3.27Å; P107-G111 PolarHBondContact O-N 2.69Å
108L87.8Confident85.1Confident21 Ų2150.4 Ų50.411%0.1127%0.272CS..Hα-helixtrans-66.4-46.5178.7-69.2169.4000111.6M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.35Å; M71-L108 HydrophobicContact CG-CD2 4.23Å; M71-L108 HydrophobicContact SD-CD2 3.42Å; M71-L108 WeakPolarHBondContact SD-CD2 3.48Å; L75-L108 HydrophobicContact CD1-CD1 3.42Å; L75-L108 VanDerWaalsContact CD1-CD1 3.42Å; L75-L108 HydrophobicContact CD2-CD1 3.97Å; L75-L108 HydrophobicContact CG-CD1 4.34Å; M104-L108 WeakPolarHBondContact O-CD1 3.39Å; M104-L108 WeakPolarHBondContact O-CG 3.32Å; A105-L108 PolarHBondContact O-N 3.2Å; I106-L108 VanDerWaalsContact C-N 3.34Å; I106-L108 PolarHBondContact O-N 3.39Å; L108-G111 PolarHBondContact O-N 3.4Å; L108-A112 PolarHBondContact O-N 2.75Å; L108-A112 VanDerWaalsContact O-N 3.09Å; L108-F214 HydrophobicContact CD1-CE1 4.2Å; L108-V218 HydrophobicContact CB-CG1 4.37Å
109W86.4Confident84.2Confident39 Ų3949.4 Ų49.415%0.14827%0.271CS..Hα-helixtrans-63.6-47.3175.5171.589.6000111.4A105 I106 G111 A112 V113 L149 L150 P153A105-W109 WeakPolarHBondContact O-CB 3.31Å; A105-W109 PolarHBondContact O-N 2.86Å; I106-W109 PolarHBondContact O-N 3.18Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.42Å; W109-A112 PolarHBondContact O-N 3.27Å; W109-A112 VanDerWaalsContact O-N 3.15Å; W109-V113 HydrophobicContact CD2-CG2 4.11Å; W109-V113 HydrophobicContact CH2-CG2 4.45Å; W109-V113 HydrophobicContact CZ2-CG2 3.94Å; W109-V113 WeakPolarHBondContact O-CG2 3.28Å; W109-V113 PolarHBondContact O-N 3.34Å; W109-L149 HydrophobicContact CH2-CD2 4.22Å; W109-L149 HydrophobicContact CZ2-CD2 3.49Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.49Å; W109-L149 HydrophobicContact CZ2-CG 3.99Å; W109-L149 WeakPolarHBondContact CZ2-O 3.48Å; W109-L149 PolarHBondContact NE1-O 3.27Å; W109-L150 HydrophobicContact CH2-CD2 3.68Å; W109-L150 HydrophobicContact CZ2-CD2 4.18Å; W109-P153 HydrophobicContact CB-CB 3.85Å; W109-P153 HydrophobicContact CB-CG 4.34Å; W109-P153 HydrophobicContact CD2-CB 4.29Å; W109-P153 HydrophobicContact CD2-CG 3.79Å; W109-P153 HydrophobicContact CE3-CG 4.36Å; W109-P153 HydrophobicContact CG-CB 3.79Å; W109-P153 HydrophobicContact CG-CG 3.76Å
110A85.7Confident83.3Confident26 Ų2649.7 Ų49.722%0.21526%0.261CS..Hα-helixtrans-60.3-41178.700000111I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.49Å; I106-A110 PolarHBondContact O-N 2.94Å; A110-V113 PolarHBondContact O-N 3.04Å; A110-I114 WeakPolarHBondContact O-CB 3.35Å; A110-I114 WeakPolarHBondContact O-CD1 3.41Å; A110-I114 WeakPolarHBondContact O-CG1 3.48Å; A110-I114 PolarHBondContact O-N 3.41Å
111G85.6Confident82.2Confident21 Ų2153 Ų5322%0.21628%0.279CS..Hα-helixtrans-59.7-45.2174.900000113.1P107 L108 W109 M115P107-G111 PolarHBondContact O-N 2.69Å; L108-G111 PolarHBondContact O-N 3.4Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.42Å; G111-M115 WeakPolarHBondContact O-CB 3.17Å; G111-M115 PolarHBondContact O-N 3.11Å
112A83.8Confident80.9Confident2 Ų261.9 Ų61.92%0.01732%0.317CS..Hα-helixtrans-63.4-45.6177.100000111.9L108 W109 M115 G116L108-A112 PolarHBondContact O-N 2.75Å; L108-A112 VanDerWaalsContact O-N 3.09Å; W109-A112 PolarHBondContact O-N 3.27Å; W109-A112 VanDerWaalsContact O-N 3.15Å; A112-M115 PolarHBondContact O-N 2.9Å; A112-G116 PolarHBondContact O-N 2.65Å
113V83.1Confident79.9Confident13 Ų1364.5 Ų64.58%0.07933%0.331CS..Hα-helixtrans-64.9-46179172.20000111.5W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.11Å; W109-V113 HydrophobicContact CH2-CG2 4.45Å; W109-V113 HydrophobicContact CZ2-CG2 3.94Å; W109-V113 WeakPolarHBondContact O-CG2 3.28Å; W109-V113 PolarHBondContact O-N 3.34Å; A110-V113 PolarHBondContact O-N 3.04Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.3Å; V113-G116 PolarHBondContact O-N 3.18Å; V113-G116 VanDerWaalsContact O-N 3.14Å; V113-F117 HydrophobicContact CG1-CD2 3.63Å; V113-F117 HydrophobicContact CG1-CE2 3.36Å; V113-F117 VanDerWaalsContact O-CD2 3.22Å; V113-F117 WeakPolarHBondContact O-CD2 3.48Å; V113-F117 PolarHBondContact O-N 3.27Å
114I84.3Confident78.6Confident98 Ų9862.2 Ų62.250%0.50331%0.313SS..Hα-helixtrans-61.3-39.2176.9-68.5163.8000110.6A110 G116 F117 R118A110-I114 WeakPolarHBondContact O-CB 3.35Å; A110-I114 WeakPolarHBondContact O-CD1 3.41Å; A110-I114 WeakPolarHBondContact O-CG1 3.48Å; A110-I114 PolarHBondContact O-N 3.41Å; I114-G116 VanDerWaalsContact C-N 3.35Å; I114-F117 PolarHBondContact O-N 3.34Å; I114-R118 HydrophobicContact CG2-CG 4.43Å; I114-R118 WeakPolarHBondContact O-CB 3.48Å; I114-R118 VanDerWaalsContact O-CG 3.29Å; I114-R118 WeakPolarHBondContact O-CG 3.46Å; I114-R118 PolarHBondContact O-N 3.48Å
115M81.3Confident77.5Confident48 Ų4865.5 Ų65.524%0.23633%0.33CS..Hα-helixtrans-65.7-37.6176.1-171.8169.1-178.900112.3W68 G111 A112 V113 R118 S119 L222 T226W68-M115 HydrophobicContact CZ2-SD 3.98Å; W68-M115 PolarHBondContact NE1-SD 3.37Å; G111-M115 WeakPolarHBondContact O-CB 3.17Å; G111-M115 PolarHBondContact O-N 3.11Å; A112-M115 PolarHBondContact O-N 2.9Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.3Å; M115-R118 PolarHBondContact O-N 3.45Å; M115-S119 WeakPolarHBondContact O-CB 3.28Å; M115-S119 PolarHBondContact O-N 2.95Å; M115-S119 PolarHBondContact O-OG 3.1Å; M115-S119 VanDerWaalsContact O-OG 3.12Å; M115-L222 HydrophobicContact SD-CD1 4.18Å; M115-T226 HydrophobicContact CE-CG2 4.43Å
116G76.5Confident76.2Confident1 Ų168 Ų681%0.0135%0.351CS..Hα-helixtrans-61.1-51.1172.900000112.8A112 V113 I114 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 2.65Å; V113-G116 PolarHBondContact O-N 3.18Å; V113-G116 VanDerWaalsContact O-N 3.14Å; I114-G116 VanDerWaalsContact C-N 3.35Å; G116-R118 VanDerWaalsContact C-N 3.3Å; G116-R118 PolarHBondContact O-N 3.28Å; G116-S119 PolarHBondContact O-N 3.37Å; G116-S119 PolarHBondContact O-OG 2.83Å; G116-K120 PolarHBondContact O-N 2.88Å; G116-N225 VanDerWaalsContact CA-O 3.26Å; G116-N225 WeakPolarHBondContact CA-O 3.49Å
117F78.3Confident75.1Confident80 Ų8069.5 Ų69.535%0.35136%0.356SS..Hα-helixtrans-59.7-40.1175.7-77-63.2000112.2V113 I114 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.63Å; V113-F117 HydrophobicContact CG1-CE2 3.36Å; V113-F117 VanDerWaalsContact O-CD2 3.22Å; V113-F117 WeakPolarHBondContact O-CD2 3.48Å; V113-F117 PolarHBondContact O-N 3.27Å; I114-F117 PolarHBondContact O-N 3.34Å; F117-I121 WeakPolarHBondContact O-CG1 3.5Å; F117-A124 HydrophobicContact CD1-CB 4.28Å; F117-A124 HydrophobicContact CE1-CB 4.37Å; F117-L125 HydrophobicContact CD1-CD1 4.22Å; F117-L125 HydrophobicContact CE1-CD1 3.84Å; F117-F128 HydrophobicContact CZ-CE2 4.5Å
118R76.3Confident73.8Confident216 Ų21667.7 Ų67.782%0.81534%0.34SS*.Hα-helixtrans-70.4-34.3179-73.6-179.868.6-1671.9113.6I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.43Å; I114-R118 WeakPolarHBondContact O-CB 3.48Å; I114-R118 VanDerWaalsContact O-CG 3.29Å; I114-R118 WeakPolarHBondContact O-CG 3.46Å; I114-R118 PolarHBondContact O-N 3.48Å; M115-R118 PolarHBondContact O-N 3.45Å; G116-R118 VanDerWaalsContact C-N 3.3Å; G116-R118 PolarHBondContact O-N 3.28Å
119S68.2Low72.6Confident48 Ų4869.4 Ų69.434%0.33635%0.349SS..Hα-helixtrans-88.6-39.6-172.772.70000113.4M115 G116 N225M115-S119 WeakPolarHBondContact O-CB 3.28Å; M115-S119 PolarHBondContact O-N 2.95Å; M115-S119 PolarHBondContact O-OG 3.1Å; M115-S119 VanDerWaalsContact O-OG 3.12Å; G116-S119 PolarHBondContact O-N 3.37Å; G116-S119 PolarHBondContact O-OG 2.83Å; S119-N225 PolarHBondContact OG-O 3.35Å
120K69.8Low71.4Confident91 Ų9170.8 Ų70.840%0.39636%0.363SS..  trans-147.874-177-67.3174.7-178.4157.60111.4G116 K122 N123 A124 T226G116-K120 PolarHBondContact O-N 2.88Å; K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 3.43Å; K120-N123 HydrophobicContact CB-CB 3.89Å; K120-N123 HydrophobicContact CD-CB 4.23Å; K120-N123 PolarHBondContact O-N 3.25Å; K120-N123 VanDerWaalsContact O-N 3.13Å; K120-A124 WeakPolarHBondContact O-CB 3.37Å; K120-A124 PolarHBondContact O-N 3.19Å; K120-T226 WeakPolarHBondContact CE-O 3.29Å; K120-T226 VanDerWaalsContact NZ-C 3.31Å; K120-T226 PolarHBondContact NZ-O 3.4Å; K120-T226 PolarHBondContact NZ-OXT 3.34Å; K120-T226 VanDerWaalsContact NZ-OXT 3.14Å
121I63.8Low70.3Confident110 Ų11079.2 Ų79.256%0.56440%0.398SS*.Hα-helixtrans-48.3-48.4176.9-60.1171.5000111.6F117 N123 L125F117-I121 WeakPolarHBondContact O-CG1 3.5Å; I121-N123 PolarHBondContact O-N 3.28Å; I121-L125 HydrophobicContact CG2-CD1 3.84Å; I121-L125 WeakPolarHBondContact O-CD1 3.46Å; I121-L125 PolarHBondContact O-N 3.47Å
122K61.5Low69.2Low187 Ų18782.2 Ų82.281%0.81343%0.429SS*.Hα-helixtrans-66.6-37.1-176.4-65-175.6-179.9-177.20113.5K120 A126K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 3.43Å; K122-A126 VanDerWaalsContact O-CB 3.26Å; K122-A126 WeakPolarHBondContact O-CB 3.34Å; K122-A126 PolarHBondContact O-N 3.04Å
123N66.4Low68.6Low99 Ų9983.8 Ų83.853%0.52944%0.438SS..Hα-helixtrans-78.9-36.5-178.2-151.859.3000111.3K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.89Å; K120-N123 HydrophobicContact CD-CB 4.23Å; K120-N123 PolarHBondContact O-N 3.25Å; K120-N123 VanDerWaalsContact O-N 3.13Å; I121-N123 PolarHBondContact O-N 3.28Å; N123-A126 PolarHBondContact O-N 3.37Å; N123-H127 PolarHBondContact O-N 2.98Å; N123-H127 VanDerWaalsContact O-N 3.1Å
124A61.7Low68.2Low18 Ų1886.9 Ų86.915%0.14946%0.458CS..Hα-helixtrans-62.6-42.617300000111.5F117 K120 H127F117-A124 HydrophobicContact CD1-CB 4.28Å; F117-A124 HydrophobicContact CE1-CB 4.37Å; K120-A124 WeakPolarHBondContact O-CB 3.37Å; K120-A124 PolarHBondContact O-N 3.19Å; A124-H127 PolarHBondContact O-N 3.37Å
125L61.9Low67.8Low93 Ų9388 Ų8849%0.48747%0.47SS..Hα-helixtrans-71.1-32.1174.7-87.683000113F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.22Å; F117-L125 HydrophobicContact CE1-CD1 3.84Å; I121-L125 HydrophobicContact CG2-CD1 3.84Å; I121-L125 WeakPolarHBondContact O-CD1 3.46Å; I121-L125 PolarHBondContact O-N 3.47Å; L125-H127 VanDerWaalsContact C-N 3.29Å; L125-H127 PolarHBondContact O-N 3.19Å; L125-F128 PolarHBondContact O-N 3.45Å
126A61.3Low67.9Low56 Ų5690.7 Ų90.746%0.46349%0.491SS..Hα-helixtrans-68.2-27.4176.800000112.8K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.26Å; K122-A126 WeakPolarHBondContact O-CB 3.34Å; K122-A126 PolarHBondContact O-N 3.04Å; N123-A126 PolarHBondContact O-N 3.37Å; A126-F128 PolarHBondContact O-N 2.7Å; A126-L129 PolarHBondContact O-N 3.14Å; A126-L129 VanDerWaalsContact O-N 3.09Å
127H64.1Low68Low113 Ų11395.6 Ų95.652%0.52352%0.517SS..THydrogen-bonded Turntrans-65.6-22.7175.1-164.5-66.4000112.7N123 A124 L125 L129N123-H127 PolarHBondContact O-N 2.98Å; N123-H127 VanDerWaalsContact O-N 3.1Å; A124-H127 PolarHBondContact O-N 3.37Å; L125-H127 VanDerWaalsContact C-N 3.29Å; L125-H127 PolarHBondContact O-N 3.19Å; H127-L129 PolarHBondContact O-N 2.91Å
128F62.6Low68.1Low41 Ų4194.2 Ų94.218%0.1851%0.512CS..THydrogen-bonded Turntrans-67.6-11.9173.7-68.3-56.5000113.4F117 L125 A126 L141 E145 T146 L149F117-F128 HydrophobicContact CZ-CE2 4.5Å; L125-F128 PolarHBondContact O-N 3.45Å; A126-F128 PolarHBondContact O-N 2.7Å; F128-L141 WeakPolarHBondContact O-CD2 3.42Å; F128-E145 HydrophobicContact CD1-CB 4.29Å; F128-E145 HydrophobicContact CD1-CG 3.87Å; F128-T146 HydrophobicContact CD1-CG2 4.23Å; F128-T146 HydrophobicContact CE1-CG2 4.03Å; F128-L149 HydrophobicContact CE1-CD1 4.46Å
129L63.1Low68.2Low57 Ų5787.9 Ų87.930%0.29850%0.499SS..SBendtrans-131.8108.7-179-14076.6000111.8A126 H127 Q131 I138 L141 V142A126-L129 PolarHBondContact O-N 3.14Å; A126-L129 VanDerWaalsContact O-N 3.09Å; H127-L129 PolarHBondContact O-N 2.91Å; L129-Q131 PolarHBondContact O-N 2.92Å; L129-I138 HydrophobicContact CD1-CB 4.4Å; L129-I138 HydrophobicContact CD1-CG1 4.49Å; L129-I138 HydrophobicContact CD1-CG2 3.75Å; L129-I138 HydrophobicContact CD2-CD1 4.15Å; L129-I138 HydrophobicContact CD2-CG1 4.2Å; L129-I138 HydrophobicContact CD2-CG2 4.08Å; L129-L141 HydrophobicContact CD1-CD2 4.39Å; L129-V142 HydrophobicContact CD1-CG2 3.48Å; L129-V142 VanDerWaalsContact CD1-CG2 3.48Å
130P61.3Low69Low69 Ų6991.1 Ų91.145%0.44851%0.511SS..  trans-62.9138.1172.520.9-23.3000109.7G132 T133 L141P130-G132 PolarHBondContact O-N 2.86Å; P130-T133 HydrophobicContact CG-CG2 3.73Å; P130-T133 WeakPolarHBondContact O-CG2 3.33Å; P130-L141 HydrophobicContact CG-CD1 3.92Å; P130-L141 HydrophobicContact CG-CD2 4.02Å
131Q62.1Low69.7Low203 Ų20389.1 Ų89.195%0.94950%0.504SS*.THydrogen-bonded Turntrans-65.1129.2-177.3-62.7-155.5-3.100110.6L129L129-Q131 PolarHBondContact O-N 2.92Å
132G62.5Low70.5Confident83 Ų8386.2 Ų86.286%0.85649%0.491SS*.THydrogen-bonded Turntrans100.111.1176.400000116.1P130P130-G132 PolarHBondContact O-N 2.86Å
133T71.3Confident71.6Confident35 Ų3581.7 Ų81.722%0.21548%0.475CS..  trans-72.3134.8176.153.80000112.4P130 L141P130-T133 HydrophobicContact CG-CG2 3.73Å; P130-T133 WeakPolarHBondContact O-CG2 3.33Å; T133-L141 HydrophobicContact CG2-CD1 3.94Å
134P74.1Confident72.5Confident78 Ų7881.3 Ų81.351%0.50647%0.472SS..  trans-65.7141176.829.3-35.3000110.9P136 L137P134-P136 VanDerWaalsContact C-N 3.31Å; P134-P136 VanDerWaalsContact O-CD 3.32Å; P134-P136 WeakPolarHBondContact O-CD 3.39Å; P134-P136 VanDerWaalsContact O-N 3.08Å; P134-L137 HydrophobicContact CG-CB 4.45Å; P134-L137 HydrophobicContact CG-CD1 3.76Å; P134-L137 HydrophobicContact CG-CG 4.29Å; P134-L137 PolarHBondContact O-N 3.49Å; P134-L137 VanDerWaalsContact O-N 3.07Å
135T76.1Confident73.6Confident121 Ų12183.2 Ų83.274%0.74248%0.478SS*.THydrogen-bonded Turntrans-51.3-30.3-171.7520000116.9I138T135-I138 HydrophobicContact CG2-CD1 4.47Å
136P82.3Confident74.5Confident105 Ų10581.2 Ų81.268%0.68247%0.469SS*.THydrogen-bonded Turntrans-74.1-27.6178.9-14.129.4000113.9P134 P139P134-P136 VanDerWaalsContact C-N 3.31Å; P134-P136 VanDerWaalsContact O-CD 3.32Å; P134-P136 WeakPolarHBondContact O-CD 3.39Å; P134-P136 VanDerWaalsContact O-N 3.08Å; P136-P139 WeakPolarHBondContact O-CD 3.3Å
137L80.2Confident75.7Confident105 Ų10582.5 Ų82.555%0.5547%0.468SS..THydrogen-bonded Turntrans-88.9-10.9-173.3-67.4175.2000113.2P134 M140 L141P134-L137 HydrophobicContact CG-CB 4.45Å; P134-L137 HydrophobicContact CG-CD1 3.76Å; P134-L137 HydrophobicContact CG-CG 4.29Å; P134-L137 PolarHBondContact O-N 3.49Å; P134-L137 VanDerWaalsContact O-N 3.07Å; L137-M140 PolarHBondContact O-N 3.18Å; L137-L141 PolarHBondContact O-N 3.3Å; L137-L141 VanDerWaalsContact O-N 3.1Å
138I79.1Confident76.7Confident50 Ų5079.7 Ų79.726%0.25646%0.461SS..Hα-helixtrans-53.8-50-177.6-67.7178.2000112.4L129 T135 M140 L141 V142L129-I138 HydrophobicContact CD1-CB 4.4Å; L129-I138 HydrophobicContact CD1-CG1 4.49Å; L129-I138 HydrophobicContact CD1-CG2 3.75Å; L129-I138 HydrophobicContact CD2-CD1 4.15Å; L129-I138 HydrophobicContact CD2-CG1 4.2Å; L129-I138 HydrophobicContact CD2-CG2 4.08Å; T135-I138 HydrophobicContact CG2-CD1 4.47Å; I138-M140 VanDerWaalsContact C-N 3.34Å; I138-M140 PolarHBondContact O-N 3.27Å; I138-L141 PolarHBondContact O-N 3.28Å; I138-V142 WeakPolarHBondContact O-CG2 3.33Å; I138-V142 PolarHBondContact O-N 2.92Å; I138-V142 VanDerWaalsContact O-N 3.14Å
139P79.8Confident77.6Confident84 Ų8479.8 Ų79.855%0.54546%0.463SS..Hα-helixtrans-65.1-37.5-175.3-20.533.6000112.8P136 I143P136-P139 WeakPolarHBondContact O-CD 3.3Å; P139-I143 WeakPolarHBondContact O-CG1 3.4Å; P139-I143 PolarHBondContact O-N 3.42Å
140M83.1Confident78.6Confident116 Ų11682.2 Ų82.257%0.57148%0.476SS*.Hα-helixtrans-69.4-41.2179.3-173.364.2-173.100111.5L137 I138 I143 I144L137-M140 PolarHBondContact O-N 3.18Å; I138-M140 VanDerWaalsContact C-N 3.34Å; I138-M140 PolarHBondContact O-N 3.27Å; M140-I143 PolarHBondContact O-N 3.13Å; M140-I144 HydrophobicContact CE-CD1 3.99Å; M140-I144 HydrophobicContact CE-CG1 4.23Å; M140-I144 HydrophobicContact CG-CD1 4.13Å; M140-I144 WeakPolarHBondContact O-CG1 3.44Å; M140-I144 PolarHBondContact O-N 3.01Å; M140-I144 VanDerWaalsContact O-N 3.13Å
141L84.7Confident79.7Confident48 Ų4883.6 Ų83.625%0.25148%0.478SS..Hα-helixtrans-66.8-40.8-178.4-169.2148.7000111.9F128 L129 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 3.42Å; L129-L141 HydrophobicContact CD1-CD2 4.39Å; P130-L141 HydrophobicContact CG-CD1 3.92Å; P130-L141 HydrophobicContact CG-CD2 4.02Å; T133-L141 HydrophobicContact CG2-CD1 3.94Å; L137-L141 PolarHBondContact O-N 3.3Å; L137-L141 VanDerWaalsContact O-N 3.1Å; I138-L141 PolarHBondContact O-N 3.28Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 3.34Å; L141-I144 PolarHBondContact O-N 3.42Å; L141-E145 WeakPolarHBondContact O-CB 2.97Å; L141-E145 PolarHBondContact O-N 3.38Å
142V81.4Confident80.7Confident50 Ų5077.5 Ų77.530%0.30345%0.45SS..Hα-helixtrans-59.7-42.9175.9174.30000110.9L129 I138 I144 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.48Å; L129-V142 VanDerWaalsContact CD1-CG2 3.48Å; I138-V142 WeakPolarHBondContact O-CG2 3.33Å; I138-V142 PolarHBondContact O-N 2.92Å; I138-V142 VanDerWaalsContact O-N 3.14Å; V142-I144 PolarHBondContact O-N 3.03Å; V142-E145 PolarHBondContact O-N 3.15Å; V142-T146 HydrophobicContact CG1-CG2 4.34Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.12Å; V142-T146 PolarHBondContact O-N 2.77Å; V142-T146 PolarHBondContact O-OG1 3Å
143I85.1Confident81.5Confident91 Ų9174 Ų7447%0.46741%0.412SS..Hα-helixtrans-60.7-47.6177.2-66.8166.9000110.4P139 M140 L141 E145 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.4Å; P139-I143 PolarHBondContact O-N 3.42Å; M140-I143 PolarHBondContact O-N 3.13Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 3.34Å; I143-E145 VanDerWaalsContact C-N 3.35Å; I143-E145 PolarHBondContact O-N 3.31Å; I143-T146 PolarHBondContact O-N 3.34Å; I143-T146 PolarHBondContact O-OG1 2.8Å; I143-I147 HydrophobicContact CG2-CD1 3.78Å; I143-I147 VanDerWaalsContact O-CG1 3.3Å; I143-I147 WeakPolarHBondContact O-CG1 3.3Å; I143-I147 PolarHBondContact O-N 2.93Å
144I85.9Confident82.1Confident92 Ų9275.9 Ų75.947%0.47242%0.419SS..Hα-helixtrans-62-43.4179.8-64.5166000111.2M140 L141 V142 I147 S148M140-I144 HydrophobicContact CE-CD1 3.99Å; M140-I144 HydrophobicContact CE-CG1 4.23Å; M140-I144 HydrophobicContact CG-CD1 4.13Å; M140-I144 WeakPolarHBondContact O-CG1 3.44Å; M140-I144 PolarHBondContact O-N 3.01Å; M140-I144 VanDerWaalsContact O-N 3.13Å; L141-I144 PolarHBondContact O-N 3.42Å; V142-I144 PolarHBondContact O-N 3.03Å; I144-I147 PolarHBondContact O-N 3.41Å; I144-S148 WeakPolarHBondContact O-CB 3.22Å; I144-S148 PolarHBondContact O-N 2.95Å
145E84.1Confident82.7Confident57 Ų5774.2 Ų74.227%0.26641%0.412SS..Hα-helixtrans-66.4-39.9-179.5-167.262.1-161.800111.7F128 L141 V142 I143 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.29Å; F128-E145 HydrophobicContact CD1-CG 3.87Å; L141-E145 WeakPolarHBondContact O-CB 2.97Å; L141-E145 PolarHBondContact O-N 3.38Å; V142-E145 PolarHBondContact O-N 3.15Å; I143-E145 VanDerWaalsContact C-N 3.35Å; I143-E145 PolarHBondContact O-N 3.31Å; E145-I147 VanDerWaalsContact C-N 3.32Å; E145-I147 PolarHBondContact O-N 2.97Å; E145-S148 WeakPolarHBondContact O-CB 3.27Å; E145-S148 PolarHBondContact O-N 2.95Å; E145-L149 WeakPolarHBondContact O-CB 3.36Å; E145-L149 PolarHBondContact O-N 3.4Å
146T81.3Confident82.9Confident51 Ų5168.8 Ų68.831%0.31338%0.378SS..Hα-helixtrans-62.9-38.2174.159.90000112.4F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.23Å; F128-T146 HydrophobicContact CE1-CG2 4.03Å; V142-T146 HydrophobicContact CG1-CG2 4.34Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.12Å; V142-T146 PolarHBondContact O-N 2.77Å; V142-T146 PolarHBondContact O-OG1 3Å; I143-T146 PolarHBondContact O-N 3.34Å; I143-T146 PolarHBondContact O-OG1 2.8Å; T146-L150 WeakPolarHBondContact O-CG 3.45Å; T146-L150 PolarHBondContact O-N 3.07Å
147I85.6Confident83Confident83 Ų8363.8 Ų63.843%0.42635%0.346SS..Hα-helixtrans-68.2-43.6175.4-67.6167000110.5I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.78Å; I143-I147 VanDerWaalsContact O-CG1 3.3Å; I143-I147 WeakPolarHBondContact O-CG1 3.3Å; I143-I147 PolarHBondContact O-N 2.93Å; I144-I147 PolarHBondContact O-N 3.41Å; E145-I147 VanDerWaalsContact C-N 3.32Å; E145-I147 PolarHBondContact O-N 2.97Å; I147-L149 VanDerWaalsContact C-N 3.35Å; I147-L149 PolarHBondContact O-N 3.27Å; I147-L150 PolarHBondContact O-N 3.34Å; I147-I151 HydrophobicContact CG2-CD1 3.47Å; I147-I151 VanDerWaalsContact CG2-CD1 3.47Å; I147-I151 HydrophobicContact CG2-CG1 4.14Å; I147-I151 WeakPolarHBondContact O-CG1 3.22Å; I147-I151 PolarHBondContact O-N 3.48Å
148S84.2Confident83.4Confident54 Ų5461.7 Ų61.738%0.37834%0.337SS..Hα-helixtrans-56.9-47.9178-175.60000111.5I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.22Å; I144-S148 PolarHBondContact O-N 2.95Å; E145-S148 WeakPolarHBondContact O-CB 3.27Å; E145-S148 PolarHBondContact O-N 2.95Å; S148-L150 VanDerWaalsContact C-N 3.27Å; S148-L150 PolarHBondContact O-N 2.97Å; S148-I151 PolarHBondContact O-N 2.85Å; S148-Q152 PolarHBondContact O-N 3.44Å; S148-Q152 VanDerWaalsContact O-N 3.11Å
149L82.8Confident83.8Confident43 Ų4364.1 Ų64.123%0.22534%0.343CS..Hα-helixtrans-59.8-34.9178.3-174.4122.4000112.6W109 F128 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.22Å; W109-L149 HydrophobicContact CZ2-CD2 3.49Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.49Å; W109-L149 HydrophobicContact CZ2-CG 3.99Å; W109-L149 WeakPolarHBondContact CZ2-O 3.48Å; W109-L149 PolarHBondContact NE1-O 3.27Å; F128-L149 HydrophobicContact CE1-CD1 4.46Å; E145-L149 WeakPolarHBondContact O-CB 3.36Å; E145-L149 PolarHBondContact O-N 3.4Å; I147-L149 VanDerWaalsContact C-N 3.35Å; I147-L149 PolarHBondContact O-N 3.27Å; L149-P153 WeakPolarHBondContact O-CD 3.26Å
150L82.8Confident83.9Confident108 Ų10860.1 Ų60.157%0.56532%0.317SS*.Hα-helixtrans-79.3-36177.3-71.6173.7000113.7W109 T146 I147 S148 Q152 P153W109-L150 HydrophobicContact CH2-CD2 3.68Å; W109-L150 HydrophobicContact CZ2-CD2 4.18Å; T146-L150 WeakPolarHBondContact O-CG 3.45Å; T146-L150 PolarHBondContact O-N 3.07Å; I147-L150 PolarHBondContact O-N 3.34Å; S148-L150 VanDerWaalsContact C-N 3.27Å; S148-L150 PolarHBondContact O-N 2.97Å; L150-Q152 VanDerWaalsContact C-N 3.33Å; L150-P153 WeakPolarHBondContact O-CD 3.11Å; L150-P153 WeakPolarHBondContact O-CG 3.41Å
151I85.5Confident84.1Confident99 Ų9955.3 Ų55.351%0.50829%0.294SS..Hα-helixtrans-71.9-31.7-179.3-69.9173.7000111I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.47Å; I147-I151 VanDerWaalsContact CG2-CD1 3.47Å; I147-I151 HydrophobicContact CG2-CG1 4.14Å; I147-I151 WeakPolarHBondContact O-CG1 3.22Å; I147-I151 PolarHBondContact O-N 3.48Å; S148-I151 PolarHBondContact O-N 2.85Å; I151-M154 CarbonylContact O-C 3.6Å; I151-M154 WeakPolarHBondContact O-CB 3.18Å; I151-M154 PolarHBondContact O-N 2.91Å; I151-M154 VanDerWaalsContact O-N 3.1Å; I151-A155 HydrophobicContact CG2-CB 4.45Å; I151-A155 WeakPolarHBondContact O-CB 3.13Å; I151-A155 PolarHBondContact O-N 3.44Å
152Q83.4Confident84.1Confident74 Ų7455 Ų5535%0.34630%0.299SS..Hα-helixtrans-55.1-48.5-174.2-127.7178-28.700115.8S148 L150 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 3.44Å; S148-Q152 VanDerWaalsContact O-N 3.11Å; L150-Q152 VanDerWaalsContact C-N 3.33Å; Q152-M154 VanDerWaalsContact C-N 3.32Å; Q152-M154 PolarHBondContact O-N 3.11Å; Q152-A155 PolarHBondContact O-N 3.47Å; Q152-L156 PolarHBondContact O-N 3.49Å; Q152-Y221 HydrophobicContact CB-CE1 4.47Å; Q152-Y221 WeakPolarHBondContact CB-OH 3.07Å; Q152-Y221 VanDerWaalsContact CD-CE1 3.4Å; Q152-Y221 VanDerWaalsContact CD-CZ 3.45Å; Q152-Y221 HydrophobicContact CG-CE1 4.34Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.24Å; Q152-Y221 PolarHBondContact NE2-OH 3Å; Q152-Y221 VanDerWaalsContact OE1-CE1 3.24Å; Q152-Y221 PolarHBondContact OE1-OH 3.22Å
153P79.1Confident84.5Confident9 Ų955.5 Ų55.56%0.05830%0.3CS..Hα-helixtrans-65.6-34.5175.425.1-35.4000112.6W109 L149 L150 L156 A157W109-P153 HydrophobicContact CB-CB 3.85Å; W109-P153 HydrophobicContact CB-CG 4.34Å; W109-P153 HydrophobicContact CD2-CB 4.29Å; W109-P153 HydrophobicContact CD2-CG 3.79Å; W109-P153 HydrophobicContact CE3-CG 4.36Å; W109-P153 HydrophobicContact CG-CB 3.79Å; W109-P153 HydrophobicContact CG-CG 3.76Å; L149-P153 WeakPolarHBondContact O-CD 3.26Å; L150-P153 WeakPolarHBondContact O-CD 3.11Å; L150-P153 WeakPolarHBondContact O-CG 3.41Å; P153-L156 PolarHBondContact O-N 2.93Å; P153-A157 PolarHBondContact O-N 3.03Å
154M84.6Confident84.5Confident76 Ų7651.2 Ų51.237%0.37428%0.278SS..Hα-helixtrans-66.1-45.3175.3-171.966.1-173.400110.9L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD2-CE 4.1Å; L102-M154 HydrophobicContact CD1-SD 3.38Å; L102-M154 WeakPolarHBondContact CD1-SD 3.38Å; L102-M154 HydrophobicContact CD2-SD 4.18Å; L102-M154 HydrophobicContact CG-SD 4.43Å; I151-M154 CarbonylContact O-C 3.6Å; I151-M154 WeakPolarHBondContact O-CB 3.18Å; I151-M154 PolarHBondContact O-N 2.91Å; I151-M154 VanDerWaalsContact O-N 3.1Å; Q152-M154 VanDerWaalsContact C-N 3.32Å; Q152-M154 PolarHBondContact O-N 3.11Å; M154-L156 VanDerWaalsContact C-N 3.28Å; M154-L156 PolarHBondContact O-N 3.34Å; M154-A157 PolarHBondContact O-N 2.9Å; M154-V158 HydrophobicContact CE-CG2 4.02Å; M154-V158 HydrophobicContact CG-CG2 4.47Å; M154-V158 VanDerWaalsContact O-CG2 3.32Å; M154-V158 WeakPolarHBondContact O-CG2 3.33Å; M154-V158 PolarHBondContact O-N 2.86Å
155A85.5Confident84.7Confident42 Ų4248.8 Ų48.835%0.34727%0.267SS..Hα-helixtrans-61.6-37178.100000112I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.45Å; I151-A155 WeakPolarHBondContact O-CB 3.13Å; I151-A155 PolarHBondContact O-N 3.44Å; Q152-A155 PolarHBondContact O-N 3.47Å; A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.45Å; A155-R159 PolarHBondContact O-N 2.97Å
156L81.1Confident84.8Confident8 Ų848.9 Ų48.94%0.04228%0.278CS..Hα-helixtrans-63.4-46.6175.3-161.683.5000112Q152 P153 M154 R159 L160 F214 M217 V218Q152-L156 PolarHBondContact O-N 3.49Å; P153-L156 PolarHBondContact O-N 2.93Å; M154-L156 VanDerWaalsContact C-N 3.28Å; M154-L156 PolarHBondContact O-N 3.34Å; L156-R159 PolarHBondContact O-N 3.45Å; L156-L160 PolarHBondContact O-N 2.87Å; L156-F214 HydrophobicContact CD1-CD2 4.45Å; L156-F214 HydrophobicContact CD2-CB 4.48Å; L156-F214 HydrophobicContact CD2-CD1 4.07Å; L156-F214 HydrophobicContact CD2-CD2 3.28Å; L156-F214 HydrophobicContact CD2-CE1 4.07Å; L156-F214 HydrophobicContact CD2-CE2 3.28Å; L156-F214 HydrophobicContact CD2-CG 3.69Å; L156-F214 HydrophobicContact CD2-CZ 3.7Å; L156-F214 HydrophobicContact CG-CD2 3.5Å; L156-F214 VanDerWaalsContact CG-CD2 3.5Å; L156-F214 HydrophobicContact CG-CE2 3.81Å; L156-F214 HydrophobicContact CG-CG 4.14Å; L156-M217 HydrophobicContact CD1-CB 3.7Å; L156-M217 HydrophobicContact CD1-CG 3.82Å; L156-V218 HydrophobicContact CD2-CG2 4.39Å
157A84.3Confident85.2Confident0 Ų046.8 Ų46.80%027%0.266CS..Hα-helixtrans-64-45.1178.900000111.8L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.41Å; N101-A157 HydrophobicContact CB-CB 3.91Å; N101-A157 PolarHBondContact ND2-O 3.19Å; L102-A157 HydrophobicContact CD1-CB 4.14Å; A105-A157 HydrophobicContact CB-CB 4.21Å; P153-A157 PolarHBondContact O-N 3.03Å; M154-A157 PolarHBondContact O-N 2.9Å; A157-R159 VanDerWaalsContact C-N 3.33Å; A157-R159 PolarHBondContact O-N 3.18Å; A157-L160 PolarHBondContact O-N 3.04Å; A157-T161 PolarHBondContact O-N 3.49Å; A157-T161 VanDerWaalsContact O-N 3.11Å; A157-T161 PolarHBondContact O-OG1 3.22Å
158V87.4Confident85.3Confident61 Ų6144.3 Ų44.337%0.3725%0.253SS..Hα-helixtrans-63.6-38.5177.2173.30000111.3L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.88Å; M154-V158 HydrophobicContact CE-CG2 4.02Å; M154-V158 HydrophobicContact CG-CG2 4.47Å; M154-V158 VanDerWaalsContact O-CG2 3.32Å; M154-V158 WeakPolarHBondContact O-CG2 3.33Å; M154-V158 PolarHBondContact O-N 2.86Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 3.42Å; V158-T161 WeakPolarHBondContact CA-OG1 3.31Å; V158-T161 PolarHBondContact O-N 3.3Å; V158-T161 PolarHBondContact O-OG1 3.43Å; V158-A162 WeakPolarHBondContact O-CB 3.25Å; V158-A162 PolarHBondContact O-N 2.83Å
159R87.9Confident85.5Confident101 Ų10144.2 Ų44.238%0.38125%0.248SC..Hα-helixtrans-60.8-43.1177.3-170-173.5-61162.31.4111.7A155 L156 A157 N163 Q210A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.45Å; A155-R159 PolarHBondContact O-N 2.97Å; L156-R159 PolarHBondContact O-N 3.45Å; A157-R159 VanDerWaalsContact C-N 3.33Å; A157-R159 PolarHBondContact O-N 3.18Å; R159-N163 WeakPolarHBondContact O-CB 3.12Å; R159-N163 VanDerWaalsContact O-CG 3.26Å; R159-N163 PolarHBondContact O-N 2.83Å; R159-N163 PolarHBondContact O-ND2 3.47Å; R159-Q210 VanDerWaalsContact C-NE2 3.32Å
160L82.8Confident85.8Confident0 Ų046.1 Ų46.10%026%0.258CS..Hα-helixtrans-66.9-45.3179176.963.8000110.9I79 N83 T95 N101 L156 A157 V158 I164 Q210 F214I79-L160 HydrophobicContact CG2-CD1 4.18Å; I79-L160 HydrophobicContact CG2-CD2 4.12Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.45Å; T95-L160 HydrophobicContact CG2-CD2 4.49Å; N101-L160 HydrophobicContact CB-CD2 4.38Å; N101-L160 VanDerWaalsContact CG-CD2 3.47Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.25Å; N101-L160 VanDerWaalsContact ND2-CG 3.32Å; N101-L160 WeakPolarHBondContact ND2-CG 3.41Å; N101-L160 VanDerWaalsContact OD1-CD2 3.31Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.4Å; L156-L160 PolarHBondContact O-N 2.87Å; A157-L160 PolarHBondContact O-N 3.04Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 3.42Å; L160-I164 HydrophobicContact CD1-CG1 4.24Å; L160-I164 WeakPolarHBondContact O-CG1 3.29Å; L160-I164 PolarHBondContact O-N 3.36Å; L160-Q210 HydrophobicContact CB-CG 4.19Å; L160-Q210 HydrophobicContact CD1-CB 4.35Å; L160-Q210 HydrophobicContact CD1-CG 3.39Å; L160-Q210 HydrophobicContact CG-CG 4.37Å; L160-F214 HydrophobicContact CD2-CD2 4.46Å
161T85.8Confident86.2Confident14 Ų1442.5 Ų42.59%0.08624%0.238CC..Hα-helixtrans-63.9-46.5177.447.80000112.1T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.36Å; L98-T161 VanDerWaalsContact CA-CG2 3.44Å; L98-T161 HydrophobicContact CB-CG2 4.01Å; L98-T161 HydrophobicContact CD1-CG2 3.99Å; N101-T161 HydrophobicContact CB-CG2 4.32Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.41Å; N101-T161 PolarHBondContact ND2-N 3.04Å; A157-T161 PolarHBondContact O-N 3.49Å; A157-T161 VanDerWaalsContact O-N 3.11Å; A157-T161 PolarHBondContact O-OG1 3.22Å; V158-T161 WeakPolarHBondContact CA-OG1 3.31Å; V158-T161 PolarHBondContact O-N 3.3Å; V158-T161 PolarHBondContact O-OG1 3.43Å; T161-N163 PolarHBondContact O-N 3.24Å; T161-I164 PolarHBondContact O-N 3.32Å; T161-T165 VanDerWaalsContact O-CB 3.27Å; T161-T165 WeakPolarHBondContact O-CB 3.46Å; T161-T165 WeakPolarHBondContact O-CG2 2.98Å; T161-T165 PolarHBondContact O-N 3.08Å; T161-T165 PolarHBondContact O-OG1 3.14Å
162A85.8Confident86.4Confident42 Ų4242 Ų4235%0.34723%0.233SC..Hα-helixtrans-63.5-44.2-173.100000111V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.25Å; V158-A162 PolarHBondContact O-N 2.83Å; A162-T165 PolarHBondContact O-OG1 3.34Å; A162-A166 WeakPolarHBondContact O-CB 3.35Å; A162-A166 PolarHBondContact O-N 3.16Å
163N89Confident86.7Confident60 Ų6042.1 Ų42.132%0.32124%0.236SC..Hα-helixtrans-64.3-50.2-179.4-69.2-6.9000111.3R159 T161 G167 V206 Q210R159-N163 WeakPolarHBondContact O-CB 3.12Å; R159-N163 VanDerWaalsContact O-CG 3.26Å; R159-N163 PolarHBondContact O-N 2.83Å; R159-N163 PolarHBondContact O-ND2 3.47Å; T161-N163 PolarHBondContact O-N 3.24Å; N163-G167 PolarHBondContact O-N 3.1Å; N163-V206 HydrophobicContact CB-CG1 4.05Å; N163-Q210 PolarHBondContact ND2-OE1 2.81Å
164I86.5Confident87.2Confident1 Ų143.3 Ų43.31%0.00524%0.242CC..Hα-helixtrans-69.3-39.4-177.4-57.3-61.6000111.6N83 T93 T96 L160 T161 H168 A207N83-I164 HydrophobicContact CB-CD1 4.29Å; T93-I164 HydrophobicContact CG2-CG2 4.24Å; T96-I164 HydrophobicContact CG2-CB 4.42Å; T96-I164 HydrophobicContact CG2-CG2 3.72Å; L160-I164 HydrophobicContact CD1-CG1 4.24Å; L160-I164 WeakPolarHBondContact O-CG1 3.29Å; L160-I164 PolarHBondContact O-N 3.36Å; T161-I164 PolarHBondContact O-N 3.32Å; I164-H168 WeakPolarHBondContact O-CB 3.43Å; I164-H168 PolarHBondContact O-CD2 3.03Å; I164-H168 VanDerWaalsContact O-CD2 3.32Å; I164-H168 PolarHBondContact O-N 2.99Å; I164-H168 VanDerWaalsContact O-N 3.11Å; I164-A207 HydrophobicContact CD1-CB 4.39Å
165T88.4Confident87.5Confident42 Ų4240.8 Ų40.826%0.25824%0.235SC..Hα-helixtrans-67.5-46.6177.153.20000112.1F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.47Å; F9-T165 HydrophobicContact CE1-CG2 4.14Å; T96-T165 HydrophobicContact CG2-CG2 3.72Å; T161-T165 VanDerWaalsContact O-CB 3.27Å; T161-T165 WeakPolarHBondContact O-CB 3.46Å; T161-T165 WeakPolarHBondContact O-CG2 2.98Å; T161-T165 PolarHBondContact O-N 3.08Å; T161-T165 PolarHBondContact O-OG1 3.14Å; A162-T165 PolarHBondContact O-OG1 3.34Å; T165-H168 PolarHBondContact O-N 3.1Å; T165-L169 WeakPolarHBondContact O-CB 3.28Å; T165-L169 PolarHBondContact O-N 3.27Å
166A87.6Confident87.6Confident59 Ų5941.6 Ų41.649%0.48824%0.238SC..Hα-helixtrans-64.7-41.9179.400000111.4A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.35Å; A162-A166 PolarHBondContact O-N 3.16Å; A166-L169 PolarHBondContact O-N 3.42Å; A166-L170 VanDerWaalsContact O-CB 3.26Å; A166-L170 WeakPolarHBondContact O-CB 3.26Å; A166-L170 PolarHBondContact O-N 2.71Å
167G88.4Confident87.9Confident6 Ų643 Ų436%0.06225%0.251CS..Hα-helixtrans-59.2-48.5175.900000112.5N163 L169 L170 M171 E203N163-G167 PolarHBondContact O-N 3.1Å; G167-L169 PolarHBondContact O-N 3.24Å; G167-L170 PolarHBondContact O-N 3.08Å; G167-M171 WeakPolarHBondContact O-CG 3.12Å; G167-M171 PolarHBondContact O-N 2.93Å; G167-E203 WeakPolarHBondContact CA-OE2 3.4Å
168H88.2Confident88.2Confident31 Ų3144.1 Ų44.114%0.14426%0.258CS..Hα-helixtrans-61.3-43.3175.5-93.2-87.9000113.4F9 G86 I164 T165 M171 H172F9-H168 HydrophobicContact CE1-CB 4.06Å; F9-H168 HydrophobicContact CZ-CB 3.84Å; G86-H168 PolarHBondContact O-CE1 2.96Å; G86-H168 PolarHBondContact O-NE2 3.32Å; I164-H168 WeakPolarHBondContact O-CB 3.43Å; I164-H168 PolarHBondContact O-CD2 3.03Å; I164-H168 VanDerWaalsContact O-CD2 3.32Å; I164-H168 PolarHBondContact O-N 2.99Å; I164-H168 VanDerWaalsContact O-N 3.11Å; T165-H168 PolarHBondContact O-N 3.1Å; H168-M171 PolarHBondContact O-N 3.32Å; H168-H172 PolarHBondContact O-N 3.01Å
169L88.2Confident88.3Confident53 Ų5347.2 Ų47.228%0.27727%0.272SS..Hα-helixtrans-64.3-43.6178.5-164.1160.7000110.4F6 T165 A166 G167 H172 L173F6-L169 HydrophobicContact CE1-CD1 3.96Å; F6-L169 HydrophobicContact CZ-CD1 4.12Å; T165-L169 WeakPolarHBondContact O-CB 3.28Å; T165-L169 PolarHBondContact O-N 3.27Å; A166-L169 PolarHBondContact O-N 3.42Å; G167-L169 PolarHBondContact O-N 3.24Å; L169-H172 PolarHBondContact O-N 3.15Å; L169-L173 HydrophobicContact CD2-CD1 3.36Å; L169-L173 HydrophobicContact CD2-CG 3.8Å; L169-L173 WeakPolarHBondContact O-CG 3.44Å; L169-L173 PolarHBondContact O-N 3.46Å
170L89.9Confident88.3Confident82 Ų8244.7 Ų44.743%0.42927%0.272SS..Hα-helixtrans-64.9-42.2178.7-162.5112.5000111.5A166 G167 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.26Å; A166-L170 WeakPolarHBondContact O-CB 3.26Å; A166-L170 PolarHBondContact O-N 2.71Å; G167-L170 PolarHBondContact O-N 3.08Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.3Å; L170-L173 PolarHBondContact O-N 3.13Å; L170-I174 HydrophobicContact CD2-CD1 4.11Å; L170-I174 HydrophobicContact CG-CD1 4.37Å; L170-I174 WeakPolarHBondContact O-CG1 3.25Å; L170-I174 PolarHBondContact O-N 3.3Å; L170-L199 HydrophobicContact CD2-CD1 3.26Å; L170-L199 HydrophobicContact CD2-CD2 3.46Å; L170-L199 VanDerWaalsContact CD2-CD2 3.46Å; L170-L199 HydrophobicContact CD2-CG 3.95Å; L170-L199 HydrophobicContact CG-CD2 4.32Å
171M90.6Very high88.5Confident32 Ų3247.6 Ų47.616%0.15829%0.287CS..Hα-helixtrans-59.2-43.4172.8-75.8-171.7-70.100111.7L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 3.97Å; G167-M171 WeakPolarHBondContact O-CG 3.12Å; G167-M171 PolarHBondContact O-N 2.93Å; H168-M171 PolarHBondContact O-N 3.32Å; M171-G175 PolarHBondContact O-N 2.92Å; M171-L199 HydrophobicContact CB-CD2 4.25Å; M171-L199 HydrophobicContact CG-CD2 3.5Å; M171-L199 VanDerWaalsContact CG-CD2 3.5Å; M171-L199 HydrophobicContact CG-CG 4.06Å; M171-T200 HydrophobicContact SD-CG2 3.94Å; M171-E203 HydrophobicContact CE-CG 4.13Å
172H89.3Confident88.6Confident88 Ų8850.1 Ų50.141%0.40731%0.305SS..Hα-helixtrans-67.4-41.2178.4-169.2-60.8000112.3L5 H168 L169 L170 G175 S176L5-H172 WeakPolarHBondContact CD2-CE1 3.48Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.31Å; H168-H172 PolarHBondContact O-N 3.01Å; L169-H172 PolarHBondContact O-N 3.15Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.3Å; H172-G175 PolarHBondContact O-N 2.96Å; H172-S176 PolarHBondContact O-N 3.47Å; H172-S176 PolarHBondContact O-OG 3.45Å
173L89.9Confident88.6Confident78 Ų7853.8 Ų53.841%0.40832%0.323SS..Hα-helixtrans-63.4-48.5177.9-76177.5000111.4L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 4.11Å; L5-L173 HydrophobicContact CD2-CD2 4.37Å; L169-L173 HydrophobicContact CD2-CD1 3.36Å; L169-L173 HydrophobicContact CD2-CG 3.8Å; L169-L173 WeakPolarHBondContact O-CG 3.44Å; L169-L173 PolarHBondContact O-N 3.46Å; L170-L173 PolarHBondContact O-N 3.13Å; L173-G175 VanDerWaalsContact C-N 3.32Å; L173-G175 PolarHBondContact O-N 2.73Å; L173-S176 PolarHBondContact O-N 3.35Å; L173-S176 PolarHBondContact O-OG 3Å; L173-A177 PolarHBondContact O-N 3.45Å
174I90.9Very high88.5Confident34 Ų3455.9 Ų55.917%0.17433%0.333CS..Hα-helixtrans-64.8-39.7177.7-62.9-178.2000110.4L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 4.11Å; L170-I174 HydrophobicContact CG-CD1 4.37Å; L170-I174 WeakPolarHBondContact O-CG1 3.25Å; L170-I174 PolarHBondContact O-N 3.3Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 2.88Å; I174-A177 CarbonylContact O-C 3.6Å; I174-A177 WeakPolarHBondContact O-CB 3.39Å; I174-A177 PolarHBondContact O-N 2.91Å; I174-A177 VanDerWaalsContact O-N 3.15Å; I174-T178 HydrophobicContact CG2-CG2 4.43Å; I174-T178 WeakPolarHBondContact O-CG2 3.39Å; I174-T178 PolarHBondContact O-N 2.93Å; I174-T178 PolarHBondContact O-OG1 2.98Å; I174-I192 HydrophobicContact CG2-CG2 3.81Å; I174-I195 HydrophobicContact CD1-CG2 4.22Å; I174-L196 HydrophobicContact CB-CD1 4.27Å; I174-L196 HydrophobicContact CG2-CB 4Å; I174-L196 HydrophobicContact CG2-CD1 4.08Å; I174-L199 HydrophobicContact CD1-CD2 3.98Å
175G89.4Confident88.6Confident23 Ų2360.4 Ų60.424%0.23736%0.358CS..Hα-helixtrans-61.8-36.6174.200000113.7M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 2.92Å; H172-G175 PolarHBondContact O-N 2.96Å; L173-G175 VanDerWaalsContact C-N 3.32Å; L173-G175 PolarHBondContact O-N 2.73Å; G175-T178 WeakPolarHBondContact CA-OG1 3.44Å; G175-T178 PolarHBondContact O-OG1 3.48Å; G175-L179 PolarHBondContact O-N 2.89Å
176S88.6Confident88.4Confident58 Ų5865.1 Ų65.141%0.40638%0.381SS..Hα-helixtrans-70.3-35.3173.472.10000112.1H172 L173 I174 L179 A180H172-S176 PolarHBondContact O-N 3.47Å; H172-S176 PolarHBondContact O-OG 3.45Å; L173-S176 PolarHBondContact O-N 3.35Å; L173-S176 PolarHBondContact O-OG 3Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 2.88Å; S176-L179 PolarHBondContact O-N 3.41Å; S176-A180 WeakPolarHBondContact O-CB 3.25Å; S176-A180 PolarHBondContact O-N 3.24Å
177A88.2Confident88.4Confident39 Ų3966.9 Ų66.932%0.32239%0.387SS..Hα-helixtrans-69.2-40.5176.200000112.1L173 I174 L179 A180 M181L173-A177 PolarHBondContact O-N 3.45Å; I174-A177 CarbonylContact O-C 3.6Å; I174-A177 WeakPolarHBondContact O-CB 3.39Å; I174-A177 PolarHBondContact O-N 2.91Å; I174-A177 VanDerWaalsContact O-N 3.15Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 2.99Å; A177-A180 PolarHBondContact O-N 3.34Å; A177-M181 WeakPolarHBondContact O-CB 3.31Å; A177-M181 VanDerWaalsContact O-CG 3.23Å; A177-M181 WeakPolarHBondContact O-CG 3.39Å; A177-M181 PolarHBondContact O-N 2.85Å
178T90.1Very high88.3Confident23 Ų2368.2 Ų68.214%0.14140%0.395CS..Hα-helixtrans-61.3-42.3174.855.20000111I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.43Å; I174-T178 WeakPolarHBondContact O-CG2 3.39Å; I174-T178 PolarHBondContact O-N 2.93Å; I174-T178 PolarHBondContact O-OG1 2.98Å; G175-T178 WeakPolarHBondContact CA-OG1 3.44Å; G175-T178 PolarHBondContact O-OG1 3.48Å; T178-M181 PolarHBondContact O-N 3.45Å; T178-S182 PolarHBondContact O-N 3.38Å; T178-I192 HydrophobicContact CG2-CB 3.89Å; T178-I192 HydrophobicContact CG2-CG2 3.37Å
179L89Confident88.4Confident126 Ų12667.8 Ų67.866%0.6640%0.395SS*.Hα-helixtrans-66.3-43.3178.7-164.3140.6000111.3G175 S176 A177 M181 S182G175-L179 PolarHBondContact O-N 2.89Å; S176-L179 PolarHBondContact O-N 3.41Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 2.99Å; L179-M181 PolarHBondContact O-N 3.42Å; L179-S182 WeakPolarHBondContact O-CB 3.49Å; L179-S182 PolarHBondContact O-N 3.35Å; L179-S182 PolarHBondContact O-OG 3.36Å
180A88.2Confident88.5Confident47 Ų4770.9 Ų70.939%0.38841%0.411SS..Hα-helixtrans-64.7-36.6174.800000113.3S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.25Å; S176-A180 PolarHBondContact O-N 3.24Å; A177-A180 PolarHBondContact O-N 3.34Å; A180-S182 VanDerWaalsContact C-N 3.32Å; A180-T183 PolarHBondContact O-OG1 2.89Å
181M86.9Confident88.6Confident61 Ų6172 Ų7230%0.342%0.416SS..Hα-helixtrans-75.5-22.7178.3-68.7-6311000112.7A177 T178 L179 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.31Å; A177-M181 VanDerWaalsContact O-CG 3.23Å; A177-M181 WeakPolarHBondContact O-CG 3.39Å; A177-M181 PolarHBondContact O-N 2.85Å; T178-M181 PolarHBondContact O-N 3.45Å; L179-M181 PolarHBondContact O-N 3.42Å; M181-T183 PolarHBondContact O-N 3.32Å; M181-I184 HydrophobicContact CE-CD1 3.59Å; M181-I184 PolarHBondContact O-N 3.4Å; M181-I184 HydrophobicContact SD-CD1 4.2Å; M181-N185 PolarHBondContact O-N 3.31Å; M181-N185 VanDerWaalsContact O-N 3.1Å; M181-T189 HydrophobicContact CB-CG2 3.8Å; M181-T189 WeakPolarHBondContact O-CG2 3.35Å; M181-I192 HydrophobicContact CB-CD1 4.18Å; M181-I192 HydrophobicContact CG-CD1 3.63Å
182S86.7Confident88.7Confident67 Ų6772.5 Ų72.547%0.46942%0.419SS..Hα-helixtrans-61.5-27.8-179.773.70000113T178 L179 A180 T189T178-S182 PolarHBondContact O-N 3.38Å; L179-S182 WeakPolarHBondContact O-CB 3.49Å; L179-S182 PolarHBondContact O-N 3.35Å; L179-S182 PolarHBondContact O-OG 3.36Å; A180-S182 VanDerWaalsContact C-N 3.32Å; S182-T189 VanDerWaalsContact N-CG2 3.33Å
183T87Confident88.8Confident120 Ų12073.4 Ų73.474%0.73642%0.422SS*.THydrogen-bonded Turntrans-83.4-15.8177.260.90000113.2A180 M181A180-T183 PolarHBondContact O-OG1 2.89Å; M181-T183 PolarHBondContact O-N 3.32Å
184I87.1Confident89Confident104 Ų10473.3 Ų73.353%0.53343%0.425SS..THydrogen-bonded Turntrans-100.1-62.8-173.8-58.3170.5000110.6M181M181-I184 HydrophobicContact CE-CD1 3.59Å; M181-I184 PolarHBondContact O-N 3.4Å; M181-I184 HydrophobicContact SD-CD1 4.2Å
185N87.5Confident89.1Confident96 Ų9675.6 Ų75.651%0.51344%0.437SS..  trans-147.3113.7-171.9-85.1-21.5000112.4M181 S188 T189M181-N185 PolarHBondContact O-N 3.31Å; M181-N185 VanDerWaalsContact O-N 3.1Å; N185-S188 WeakPolarHBondContact CB-OG 3.26Å; N185-S188 PolarHBondContact O-N 3.03Å; N185-S188 PolarHBondContact O-OG 2.98Å; N185-T189 WeakPolarHBondContact O-CG2 3.48Å; N185-T189 PolarHBondContact O-N 2.99Å
186L85.4Confident89.3Confident141 Ų14176 Ų7674%0.73843%0.433SS*.Hα-helixtrans-53.7-46.6178.3-155.390000114.9S188 T189 L190L186-S188 VanDerWaalsContact C-N 3.33Å; L186-S188 PolarHBondContact O-N 3.06Å; L186-T189 PolarHBondContact O-N 2.95Å; L186-T189 VanDerWaalsContact O-N 3.16Å; L186-T189 PolarHBondContact O-OG1 2.88Å; L186-L190 PolarHBondContact O-N 3.39Å
187P87.4Confident89.5Confident95 Ų9577 Ų7762%0.61743%0.433SS*.Hα-helixtrans-66.7-34.9-176.624.7-33.5000112.7T189 L190P187-T189 VanDerWaalsContact C-N 3.29Å; P187-T189 PolarHBondContact O-N 3.34Å; P187-L190 PolarHBondContact O-N 3.19Å
188S86.1Confident89.8Confident35 Ų3580.8 Ų80.825%0.24545%0.447CS..Hα-helixtrans-66.5-32.817671.10000112.4N185 L186 L190 I191 I192N185-S188 WeakPolarHBondContact CB-OG 3.26Å; N185-S188 PolarHBondContact O-N 3.03Å; N185-S188 PolarHBondContact O-OG 2.98Å; L186-S188 VanDerWaalsContact C-N 3.33Å; L186-S188 PolarHBondContact O-N 3.06Å; S188-L190 VanDerWaalsContact C-N 3.34Å; S188-L190 PolarHBondContact O-N 3.48Å; S188-I191 PolarHBondContact O-N 3.33Å; S188-I192 WeakPolarHBondContact O-CG1 2.94Å; S188-I192 PolarHBondContact O-N 2.71Å
189T90.9Very high89.9Confident22 Ų2280.5 Ų80.514%0.13545%0.445CS..Hα-helixtrans-67.5-37.2179.268.70000112.3M181 S182 N185 L186 P187 I191 I192 F193M181-T189 HydrophobicContact CB-CG2 3.8Å; M181-T189 WeakPolarHBondContact O-CG2 3.35Å; S182-T189 VanDerWaalsContact N-CG2 3.33Å; N185-T189 WeakPolarHBondContact O-CG2 3.48Å; N185-T189 PolarHBondContact O-N 2.99Å; L186-T189 PolarHBondContact O-N 2.95Å; L186-T189 VanDerWaalsContact O-N 3.16Å; L186-T189 PolarHBondContact O-OG1 2.88Å; P187-T189 VanDerWaalsContact C-N 3.29Å; P187-T189 PolarHBondContact O-N 3.34Å; T189-I191 VanDerWaalsContact C-N 3.28Å; T189-I191 PolarHBondContact O-N 3.18Å; T189-I192 PolarHBondContact O-N 3.37Å; T189-F193 VanDerWaalsContact O-CB 3.24Å; T189-F193 WeakPolarHBondContact O-CB 3.19Å; T189-F193 PolarHBondContact O-N 2.86Å
190L90.1Very high90.1Very high117 Ų11777 Ų7761%0.61343%0.429SS*.Hα-helixtrans-61.5-41.7178.3-167.973.3000110.3L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 3.39Å; P187-L190 PolarHBondContact O-N 3.19Å; S188-L190 VanDerWaalsContact C-N 3.34Å; S188-L190 PolarHBondContact O-N 3.48Å; L190-F193 PolarHBondContact O-N 3.47Å; L190-T194 WeakPolarHBondContact O-CG2 3.03Å; L190-T194 PolarHBondContact O-N 2.98Å
191I91.8Very high90.3Very high106 Ų10679.5 Ų79.554%0.54444%0.435SS..Hα-helixtrans-63.7-45.9178-60.2167.4000111.1S188 T189 F193 T194 I195S188-I191 PolarHBondContact O-N 3.33Å; T189-I191 VanDerWaalsContact C-N 3.28Å; T189-I191 PolarHBondContact O-N 3.18Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.21Å; I191-T194 PolarHBondContact O-N 3.07Å; I191-T194 PolarHBondContact O-OG1 2.9Å; I191-I195 HydrophobicContact CG2-CD1 4.34Å; I191-I195 WeakPolarHBondContact O-CG1 3.37Å; I191-I195 PolarHBondContact O-N 2.98Å
192I92.3Very high90.5Very high42 Ų4281.5 Ų81.522%0.21545%0.446CS..Hα-helixtrans-70-33.6179.9-56.2168.4000110.4I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.81Å; T178-I192 HydrophobicContact CG2-CB 3.89Å; T178-I192 HydrophobicContact CG2-CG2 3.37Å; M181-I192 HydrophobicContact CB-CD1 4.18Å; M181-I192 HydrophobicContact CG-CD1 3.63Å; S188-I192 WeakPolarHBondContact O-CG1 2.94Å; S188-I192 PolarHBondContact O-N 2.71Å; T189-I192 PolarHBondContact O-N 3.37Å; I192-I195 WeakPolarHBondContact O-CB 3.38Å; I192-I195 PolarHBondContact O-N 3.01Å; I192-L196 PolarHBondContact O-N 3.37Å
193F91.8Very high90.7Very high107 Ų10778.9 Ų78.947%0.46943%0.426SS..Hα-helixtrans-66.7-38.9175.3-172.8-106.1000112.5T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.24Å; T189-F193 WeakPolarHBondContact O-CB 3.19Å; T189-F193 PolarHBondContact O-N 2.86Å; L190-F193 PolarHBondContact O-N 3.47Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.21Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.39Å; F193-L196 HydrophobicContact CD2-CD2 4.41Å; F193-L196 WeakPolarHBondContact O-CB 3.33Å; F193-L196 PolarHBondContact O-N 2.96Å; F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.52Å; F193-I197 HydrophobicContact CE1-CG1 4.26Å; F193-I197 HydrophobicContact CZ-CD1 4.16Å; F193-I197 HydrophobicContact CZ-CG1 4.48Å; F193-I197 WeakPolarHBondContact O-CG1 3.26Å; F193-I197 PolarHBondContact O-N 2.98Å
194T92.9Very high91Very high76 Ų7677.2 Ų77.247%0.46641%0.412SS..Hα-helixtrans-64.4-37.517361.30000111.8L190 I191 L196 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.03Å; L190-T194 PolarHBondContact O-N 2.98Å; I191-T194 PolarHBondContact O-N 3.07Å; I191-T194 PolarHBondContact O-OG1 2.9Å; T194-L196 VanDerWaalsContact C-N 3.35Å; T194-I197 PolarHBondContact O-N 3.47Å; T194-L198 PolarHBondContact O-N 3.35Å
195I94Very high91.2Very high83 Ų8374.4 Ų74.443%0.42640%0.404SS..Hα-helixtrans-62-42.5173-65.7166.3000110.9I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.22Å; I191-I195 HydrophobicContact CG2-CD1 4.34Å; I191-I195 WeakPolarHBondContact O-CG1 3.37Å; I191-I195 PolarHBondContact O-N 2.98Å; I192-I195 WeakPolarHBondContact O-CB 3.38Å; I192-I195 PolarHBondContact O-N 3.01Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.39Å; I195-I197 PolarHBondContact O-N 3.43Å; I195-L198 PolarHBondContact O-N 2.99Å; I195-L199 WeakPolarHBondContact O-CB 3.38Å; I195-L199 PolarHBondContact O-N 3.22Å
196L93.1Very high91.4Very high31 Ų3171.6 Ų71.616%0.16239%0.391CS..Hα-helixtrans-59.9-44.9176.2-178.465.5000111.5I174 I192 F193 T194 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.27Å; I174-L196 HydrophobicContact CG2-CB 4Å; I174-L196 HydrophobicContact CG2-CD1 4.08Å; I192-L196 PolarHBondContact O-N 3.37Å; F193-L196 HydrophobicContact CD2-CD2 4.41Å; F193-L196 WeakPolarHBondContact O-CB 3.33Å; F193-L196 PolarHBondContact O-N 2.96Å; T194-L196 VanDerWaalsContact C-N 3.35Å; L196-L198 PolarHBondContact O-N 3.15Å; L196-L199 WeakPolarHBondContact O-CB 3.08Å; L196-L199 PolarHBondContact O-N 2.97Å; L196-T200 WeakPolarHBondContact O-CG2 3.48Å; L196-T200 PolarHBondContact O-N 2.9Å
197I92.6Very high91.6Very high78 Ų7865 Ų6540%0.436%0.356SS..Hα-helixtrans-60.5-47.9176-67.5166.4000110.5F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.52Å; F193-I197 HydrophobicContact CE1-CG1 4.26Å; F193-I197 HydrophobicContact CZ-CD1 4.16Å; F193-I197 HydrophobicContact CZ-CG1 4.48Å; F193-I197 WeakPolarHBondContact O-CG1 3.26Å; F193-I197 PolarHBondContact O-N 2.98Å; T194-I197 PolarHBondContact O-N 3.47Å; I195-I197 PolarHBondContact O-N 3.43Å; I197-L199 VanDerWaalsContact C-N 3.27Å; I197-L199 PolarHBondContact O-N 2.82Å; I197-T200 PolarHBondContact O-N 3.49Å; I197-T200 VanDerWaalsContact O-N 3.12Å; I197-T200 PolarHBondContact O-OG1 3.12Å; I197-I201 HydrophobicContact CG2-CD1 4.16Å; I197-I201 WeakPolarHBondContact O-CG1 3.35Å; I197-I201 PolarHBondContact O-N 3Å; I197-I201 VanDerWaalsContact O-N 3.14Å
198L94.6Very high91.7Very high119 Ų11966 Ų6662%0.62336%0.356SS*.Hα-helixtrans-59.6-40.5179.7-176.262.5000111.7T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 3.35Å; I195-L198 PolarHBondContact O-N 2.99Å; L196-L198 PolarHBondContact O-N 3.15Å; L198-I201 PolarHBondContact O-N 3.04Å; L198-L202 PolarHBondContact O-N 3.44Å
199L93.3Very high92Very high18 Ų1869 Ų699%0.09437%0.368CS..Hα-helixtrans-61.9-43.6175.1175.969.5000112.1L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CD2-CD1 3.26Å; L170-L199 HydrophobicContact CD2-CD2 3.46Å; L170-L199 VanDerWaalsContact CD2-CD2 3.46Å; L170-L199 HydrophobicContact CD2-CG 3.95Å; L170-L199 HydrophobicContact CG-CD2 4.32Å; M171-L199 HydrophobicContact CB-CD2 4.25Å; M171-L199 HydrophobicContact CG-CD2 3.5Å; M171-L199 VanDerWaalsContact CG-CD2 3.5Å; M171-L199 HydrophobicContact CG-CG 4.06Å; I174-L199 HydrophobicContact CD1-CD2 3.98Å; I195-L199 WeakPolarHBondContact O-CB 3.38Å; I195-L199 PolarHBondContact O-N 3.22Å; L196-L199 WeakPolarHBondContact O-CB 3.08Å; L196-L199 PolarHBondContact O-N 2.97Å; I197-L199 VanDerWaalsContact C-N 3.27Å; I197-L199 PolarHBondContact O-N 2.82Å; L199-I201 VanDerWaalsContact C-N 3.27Å; L199-I201 PolarHBondContact O-N 3.46Å; L199-L202 HydrophobicContact CD1-CD2 4.5Å; L199-L202 WeakPolarHBondContact O-CB 3.42Å; L199-L202 PolarHBondContact O-N 3.24Å; L199-L202 VanDerWaalsContact O-N 3.15Å; L199-E203 PolarHBondContact O-N 3.46Å
200T91.3Very high91.9Very high51 Ų5168.3 Ų68.331%0.31336%0.363SS..Hα-helixtrans-61.9-37.7178.660.60000111.9M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.94Å; L196-T200 WeakPolarHBondContact O-CG2 3.48Å; L196-T200 PolarHBondContact O-N 2.9Å; I197-T200 PolarHBondContact O-N 3.49Å; I197-T200 VanDerWaalsContact O-N 3.12Å; I197-T200 PolarHBondContact O-OG1 3.12Å; T200-E203 PolarHBondContact O-N 2.83Å; T200-I204 VanDerWaalsContact O-CG1 3.29Å; T200-I204 WeakPolarHBondContact O-CG1 3.45Å; T200-I204 PolarHBondContact O-N 3.33Å
201I93.1Very high91.9Very high101 Ų10162.8 Ų62.852%0.51834%0.335SS..Hα-helixtrans-64.7-43.4175.3-64167.9000110.4I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.16Å; I197-I201 WeakPolarHBondContact O-CG1 3.35Å; I197-I201 PolarHBondContact O-N 3Å; I197-I201 VanDerWaalsContact O-N 3.14Å; L198-I201 PolarHBondContact O-N 3.04Å; L199-I201 VanDerWaalsContact C-N 3.27Å; L199-I201 PolarHBondContact O-N 3.46Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.34Å; I201-I204 PolarHBondContact O-N 2.91Å; I201-A205 PolarHBondContact O-N 3.16Å; I201-A205 VanDerWaalsContact O-N 3.16Å
202L92.4Very high91.9Very high102 Ų10262.8 Ų62.853%0.53433%0.328SS..Hα-helixtrans-59.3-45.5175.5179.166.9000111.1L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 3.44Å; L199-L202 HydrophobicContact CD1-CD2 4.5Å; L199-L202 WeakPolarHBondContact O-CB 3.42Å; L199-L202 PolarHBondContact O-N 3.24Å; L199-L202 VanDerWaalsContact O-N 3.15Å; L202-I204 PolarHBondContact O-N 3.11Å; L202-A205 WeakPolarHBondContact O-CB 3.33Å; L202-A205 PolarHBondContact O-N 3.48Å; L202-A205 VanDerWaalsContact O-N 3.11Å; L202-V206 HydrophobicContact CD1-CG2 4.35Å; L202-V206 HydrophobicContact CG-CG2 4.33Å; L202-V206 WeakPolarHBondContact O-CG2 3.49Å; L202-V206 PolarHBondContact O-N 3.03Å
203E91.1Very high91.8Very high12 Ų1262.5 Ų62.56%0.05633%0.329CS..Hα-helixtrans-67.3-36.7-176.9-161.664.6-159.600112.2L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.44Å; L87-E203 HydrophobicContact CD2-CB 4.19Å; L87-E203 HydrophobicContact CD2-CG 3.4Å; L87-E203 VanDerWaalsContact CD2-CG 3.4Å; G167-E203 WeakPolarHBondContact CA-OE2 3.4Å; M171-E203 HydrophobicContact CE-CG 4.13Å; L199-E203 PolarHBondContact O-N 3.46Å; T200-E203 PolarHBondContact O-N 2.83Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.34Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 2.88Å; E203-V206 PolarHBondContact O-N 3.15Å; E203-A207 VanDerWaalsContact O-CB 3.31Å; E203-A207 WeakPolarHBondContact O-CB 3.42Å; E203-A207 PolarHBondContact O-N 2.78Å
204I91.3Very high91.6Very high85 Ų8557.4 Ų57.444%0.43631%0.307SS..Hα-helixtrans-59.4-42.9171.4-67.5164.8000110.7L84 L87 T200 I201 L202 L208L84-I204 HydrophobicContact CD1-CG2 4.39Å; L87-I204 HydrophobicContact CD1-CB 4.22Å; L87-I204 HydrophobicContact CD1-CG1 3.62Å; T200-I204 VanDerWaalsContact O-CG1 3.29Å; T200-I204 WeakPolarHBondContact O-CG1 3.45Å; T200-I204 PolarHBondContact O-N 3.33Å; I201-I204 PolarHBondContact O-N 2.91Å; L202-I204 PolarHBondContact O-N 3.11Å; I204-L208 PolarHBondContact O-N 2.94Å
205A92.2Very high91.4Very high45 Ų4553.8 Ų53.837%0.37228%0.284SS..Hα-helixtrans-65.8-45.5177.100000111.6I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 3.16Å; I201-A205 VanDerWaalsContact O-N 3.16Å; L202-A205 WeakPolarHBondContact O-CB 3.33Å; L202-A205 PolarHBondContact O-N 3.48Å; L202-A205 VanDerWaalsContact O-N 3.11Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 2.88Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 3.26Å; A205-L208 PolarHBondContact O-N 3.37Å; A205-I209 WeakPolarHBondContact O-CB 3.47Å; A205-I209 VanDerWaalsContact O-CG1 3.26Å; A205-I209 WeakPolarHBondContact O-CG1 3.43Å; A205-I209 PolarHBondContact O-N 2.9Å
206V92.1Very high91.1Very high38 Ų3852.4 Ų52.423%0.2328%0.277CS..Hα-helixtrans-61-42.6177.9172.80000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.05Å; L202-V206 HydrophobicContact CD1-CG2 4.35Å; L202-V206 HydrophobicContact CG-CG2 4.33Å; L202-V206 WeakPolarHBondContact O-CG2 3.49Å; L202-V206 PolarHBondContact O-N 3.03Å; E203-V206 PolarHBondContact O-N 3.15Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.16Å; V206-I209 PolarHBondContact O-N 3.45Å; V206-Q210 WeakPolarHBondContact O-CB 3.4Å; V206-Q210 PolarHBondContact O-N 2.98Å
207A89.9Confident90.8Very high2 Ų253.5 Ų53.52%0.01728%0.282CS..Hα-helixtrans-57.4-42.3178.200000112.9N83 L87 I164 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.91Å; N83-A207 PolarHBondContact ND2-O 2.9Å; L87-A207 HydrophobicContact CD1-CB 4.08Å; I164-A207 HydrophobicContact CD1-CB 4.39Å; E203-A207 VanDerWaalsContact O-CB 3.31Å; E203-A207 WeakPolarHBondContact O-CB 3.42Å; E203-A207 PolarHBondContact O-N 2.78Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 3.26Å; A207-A211 PolarHBondContact O-N 3.48Å
208L89.9Confident90.5Very high115 Ų11550.1 Ų50.160%0.60227%0.265SS*.Hα-helixtrans-75.7-44.3179.5-169.4148.3000112I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 2.94Å; A205-L208 PolarHBondContact O-N 3.37Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.16Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.03Å; L208-A211 PolarHBondContact O-N 3.38Å; L208-Y212 PolarHBondContact O-N 3.37Å
209I91.4Very high90.1Very high98 Ų9844.9 Ų44.950%0.50324%0.238SC..Hα-helixtrans-61-40177.6-68.8167.1000110.3A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.47Å; A205-I209 VanDerWaalsContact O-CG1 3.26Å; A205-I209 WeakPolarHBondContact O-CG1 3.43Å; A205-I209 PolarHBondContact O-N 2.9Å; V206-I209 PolarHBondContact O-N 3.45Å; I209-A211 PolarHBondContact O-N 2.9Å; I209-Y212 WeakPolarHBondContact O-CB 3.39Å; I209-Y212 PolarHBondContact O-N 3.45Å; I209-V213 HydrophobicContact CG2-CG2 4.02Å; I209-V213 WeakPolarHBondContact O-CG2 3.29Å; I209-V213 PolarHBondContact O-N 3Å
210Q89.6Confident89.6Confident8 Ų847.3 Ų47.34%0.03725%0.251CS..Hα-helixtrans-66.5-38.5-178.1-172.963.21000112.3R159 L160 N163 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.32Å; L160-Q210 HydrophobicContact CB-CG 4.19Å; L160-Q210 HydrophobicContact CD1-CB 4.35Å; L160-Q210 HydrophobicContact CD1-CG 3.39Å; L160-Q210 HydrophobicContact CG-CG 4.37Å; N163-Q210 PolarHBondContact ND2-OE1 2.81Å; V206-Q210 WeakPolarHBondContact O-CB 3.4Å; V206-Q210 PolarHBondContact O-N 2.98Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.03Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 3.31Å; Q210-F214 VanDerWaalsContact O-CB 3.28Å; Q210-F214 WeakPolarHBondContact O-CB 3.4Å; Q210-F214 PolarHBondContact O-N 3.01Å
211A90.3Very high89.1Confident1 Ų145.8 Ų45.81%0.00824%0.24CC..Hα-helixtrans-61.6-42.2172.600000111.5I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.43Å; I79-A211 HydrophobicContact CB-CB 4.02Å; I79-A211 HydrophobicContact CG2-CB 3.78Å; A80-A211 HydrophobicContact CB-CB 3.91Å; A207-A211 PolarHBondContact O-N 3.48Å; L208-A211 PolarHBondContact O-N 3.38Å; I209-A211 PolarHBondContact O-N 2.9Å; A211-T215 VanDerWaalsContact O-CG2 3.31Å; A211-T215 WeakPolarHBondContact O-CG2 3.35Å; A211-T215 PolarHBondContact O-N 3.31Å; A211-T215 PolarHBondContact O-OG1 3.14Å
212Y90Very high88.6Confident106 Ų10641 Ų4142%0.41622%0.216SC..Hα-helixtrans-64.5-50.1176.3177.3-101.8000112.5M57 I76 L208 I209 Q210 F214 T215 L216M57-Y212 HydrophobicContact CE-CD2 4.39Å; I76-Y212 HydrophobicContact CD1-CD2 4.21Å; L208-Y212 PolarHBondContact O-N 3.37Å; I209-Y212 WeakPolarHBondContact O-CB 3.39Å; I209-Y212 PolarHBondContact O-N 3.45Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 3.31Å; Y212-F214 VanDerWaalsContact C-N 3.3Å; Y212-F214 PolarHBondContact O-N 3.5Å; Y212-T215 PolarHBondContact O-N 3.34Å; Y212-T215 PolarHBondContact O-OG1 3.36Å; Y212-L216 HydrophobicContact CE1-CD1 3.73Å; Y212-L216 HydrophobicContact CE2-CD1 4.43Å; Y212-L216 VanDerWaalsContact O-CB 3.28Å; Y212-L216 WeakPolarHBondContact O-CB 3.34Å; Y212-L216 PolarHBondContact O-N 2.67Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.49Å
213V90.2Very high88.1Confident37 Ų3740.2 Ų40.222%0.22421%0.209CC..Hα-helixtrans-62.8-38.6-179.9172.80000111.3I209 M217I209-V213 HydrophobicContact CG2-CG2 4.02Å; I209-V213 WeakPolarHBondContact O-CG2 3.29Å; I209-V213 PolarHBondContact O-N 3Å; V213-M217 WeakPolarHBondContact O-CG 3.23Å; V213-M217 PolarHBondContact O-N 3.47Å
214F88Confident87.4Confident0 Ų043.8 Ų43.80%023%0.228CC..Hα-helixtrans-58.4-52.5176.3-174.6-76.4000111L75 I79 A105 L108 L156 L160 Q210 Y212 M217 V218L75-F214 HydrophobicContact CD1-CE1 4.24Å; L75-F214 HydrophobicContact CD2-CD1 3.76Å; L75-F214 HydrophobicContact CD2-CE1 3.66Å; L75-F214 HydrophobicContact CG-CD1 4.46Å; L75-F214 HydrophobicContact CG-CE1 4.28Å; I79-F214 HydrophobicContact CD1-CB 4.27Å; I79-F214 HydrophobicContact CD1-CD1 3.37Å; I79-F214 HydrophobicContact CD1-CD2 4.37Å; I79-F214 HydrophobicContact CD1-CE1 3.71Å; I79-F214 HydrophobicContact CD1-CG 3.75Å; I79-F214 HydrophobicContact CD1-CZ 4.34Å; A105-F214 HydrophobicContact CB-CE2 4.29Å; A105-F214 HydrophobicContact CB-CZ 4.12Å; L108-F214 HydrophobicContact CD1-CE1 4.2Å; L156-F214 HydrophobicContact CD1-CD2 4.45Å; L156-F214 HydrophobicContact CD2-CB 4.48Å; L156-F214 HydrophobicContact CD2-CD1 4.07Å; L156-F214 HydrophobicContact CD2-CD2 3.28Å; L156-F214 HydrophobicContact CD2-CE1 4.07Å; L156-F214 HydrophobicContact CD2-CE2 3.28Å; L156-F214 HydrophobicContact CD2-CG 3.69Å; L156-F214 HydrophobicContact CD2-CZ 3.7Å; L156-F214 HydrophobicContact CG-CD2 3.5Å; L156-F214 VanDerWaalsContact CG-CD2 3.5Å; L156-F214 HydrophobicContact CG-CE2 3.81Å; L156-F214 HydrophobicContact CG-CG 4.14Å; L160-F214 HydrophobicContact CD2-CD2 4.46Å; Q210-F214 VanDerWaalsContact O-CB 3.28Å; Q210-F214 WeakPolarHBondContact O-CB 3.4Å; Q210-F214 PolarHBondContact O-N 3.01Å; Y212-F214 VanDerWaalsContact C-N 3.3Å; Y212-F214 PolarHBondContact O-N 3.5Å; F214-M217 PolarHBondContact O-N 3.35Å; F214-V218 HydrophobicContact CD1-CG2 4.33Å; F214-V218 HydrophobicContact CE1-CG2 4.08Å; F214-V218 WeakPolarHBondContact O-CG2 3.4Å; F214-V218 PolarHBondContact O-N 2.94Å
215T89.1Confident86.6Confident0 Ų041.2 Ų41.20%022%0.215CC..Hα-helixtrans-69.9-35.5-177.856.20000112.9M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.42Å; L75-T215 HydrophobicContact CB-CG2 4.23Å; L75-T215 HydrophobicContact CD2-CG2 3.44Å; L75-T215 VanDerWaalsContact CD2-CG2 3.44Å; L75-T215 HydrophobicContact CG-CG2 3.94Å; I76-T215 VanDerWaalsContact CA-CG2 3.47Å; I76-T215 HydrophobicContact CB-CG2 3.48Å; I76-T215 VanDerWaalsContact CB-CG2 3.48Å; I76-T215 HydrophobicContact CG1-CG2 4.09Å; A211-T215 VanDerWaalsContact O-CG2 3.31Å; A211-T215 WeakPolarHBondContact O-CG2 3.35Å; A211-T215 PolarHBondContact O-N 3.31Å; A211-T215 PolarHBondContact O-OG1 3.14Å; Y212-T215 PolarHBondContact O-N 3.34Å; Y212-T215 PolarHBondContact O-OG1 3.36Å; T215-V218 PolarHBondContact O-N 3.3Å; T215-S219 WeakPolarHBondContact O-CB 3.46Å; T215-S219 PolarHBondContact O-N 3.29Å
216L88.4Confident85.5Confident53 Ų5340.4 Ų40.428%0.27721%0.206SC..Hα-helixtrans-63.4-43.7175.6-177.1141.6000111.5Y212 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.73Å; Y212-L216 HydrophobicContact CE2-CD1 4.43Å; Y212-L216 VanDerWaalsContact O-CB 3.28Å; Y212-L216 WeakPolarHBondContact O-CB 3.34Å; Y212-L216 PolarHBondContact O-N 2.67Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.49Å; L216-S219 WeakPolarHBondContact CA-OG 3.48Å; L216-S219 WeakPolarHBondContact O-CB 3.45Å; L216-S219 PolarHBondContact O-N 3.22Å; L216-S219 VanDerWaalsContact O-N 3.14Å; L216-S219 PolarHBondContact O-OG 3.33Å; L216-L220 HydrophobicContact CD2-CD1 3.61Å; L216-L220 HydrophobicContact CD2-CG 4.21Å; L216-L220 PolarHBondContact O-N 3.03Å
217M86.8Confident85.2Confident54 Ų5440.6 Ų40.627%0.26621%0.205SC..Hα-helixtrans-60.9-46.3175.1-74.1-70.5164.200111.2L156 V213 F214 S219 L220 Y221L156-M217 HydrophobicContact CD1-CB 3.7Å; L156-M217 HydrophobicContact CD1-CG 3.82Å; V213-M217 WeakPolarHBondContact O-CG 3.23Å; V213-M217 PolarHBondContact O-N 3.47Å; F214-M217 PolarHBondContact O-N 3.35Å; M217-S219 PolarHBondContact O-N 2.84Å; M217-L220 PolarHBondContact O-N 3.23Å; M217-L220 VanDerWaalsContact O-N 3.17Å; M217-L220 HydrophobicContact SD-CD1 4.49Å; M217-Y221 HydrophobicContact CB-CE2 4.22Å; M217-Y221 WeakPolarHBondContact O-CD2 3.19Å; M217-Y221 VanDerWaalsContact O-CE2 3.27Å; M217-Y221 WeakPolarHBondContact O-CE2 3.21Å; M217-Y221 PolarHBondContact O-N 3.17Å; M217-Y221 VanDerWaalsContact O-N 3.11Å
218V85.7Confident84.9Confident8 Ų842.6 Ų42.65%0.04822%0.215CC..Hα-helixtrans-55.5-42.3173.7179.40000111.4L72 L108 L156 F214 T215 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.14Å; L72-V218 HydrophobicContact CD2-CG1 3.79Å; L108-V218 HydrophobicContact CB-CG1 4.37Å; L156-V218 HydrophobicContact CD2-CG2 4.39Å; F214-V218 HydrophobicContact CD1-CG2 4.33Å; F214-V218 HydrophobicContact CE1-CG2 4.08Å; F214-V218 WeakPolarHBondContact O-CG2 3.4Å; F214-V218 PolarHBondContact O-N 2.94Å; T215-V218 PolarHBondContact O-N 3.3Å; V218-Y221 PolarHBondContact O-N 2.99Å; V218-L222 PolarHBondContact O-N 3.1Å
219S86.1Confident84.6Confident8 Ų838.6 Ų38.66%0.05619%0.193CC..Hα-helixtrans-67.7-37.7179.285.70000113H61 T215 L216 M217 L222 H223H61-S219 PolarHBondContact NE2-O 3.48Å; T215-S219 WeakPolarHBondContact O-CB 3.46Å; T215-S219 PolarHBondContact O-N 3.29Å; L216-S219 WeakPolarHBondContact CA-OG 3.48Å; L216-S219 WeakPolarHBondContact O-CB 3.45Å; L216-S219 PolarHBondContact O-N 3.22Å; L216-S219 VanDerWaalsContact O-N 3.14Å; L216-S219 PolarHBondContact O-OG 3.33Å; M217-S219 PolarHBondContact O-N 2.84Å; S219-L222 WeakPolarHBondContact O-CB 3.5Å; S219-L222 PolarHBondContact O-N 2.6Å; S219-H223 PolarHBondContact O-N 3.16Å
220L83.9Confident84.2Confident70 Ų7035.1 Ų35.137%0.36618%0.175SC..Hα-helixtrans-64.3-42.7175.7-75.3173000111.4L216 M217 L222 H223 D224L216-L220 HydrophobicContact CD2-CD1 3.61Å; L216-L220 HydrophobicContact CD2-CG 4.21Å; L216-L220 PolarHBondContact O-N 3.03Å; M217-L220 PolarHBondContact O-N 3.23Å; M217-L220 VanDerWaalsContact O-N 3.17Å; M217-L220 HydrophobicContact SD-CD1 4.49Å; L220-L222 VanDerWaalsContact C-N 3.25Å; L220-L222 PolarHBondContact O-N 3.44Å; L220-H223 WeakPolarHBondContact O-CA 3.47Å; L220-H223 WeakPolarHBondContact O-CB 3.5Å; L220-H223 PolarHBondContact O-N 3.28Å; L220-D224 VanDerWaalsContact O-CG 3.31Å; L220-D224 PolarHBondContact O-N 3.47Å
221Y80.3Confident83.9Confident18 Ų1836.8 Ų36.87%0.07118%0.184CC..Hα-helixtrans-61.2-38.6174.1-60.5-68.4000112.3Q152 M217 V218 H223 D224 N225Q152-Y221 HydrophobicContact CB-CE1 4.47Å; Q152-Y221 WeakPolarHBondContact CB-OH 3.07Å; Q152-Y221 VanDerWaalsContact CD-CE1 3.4Å; Q152-Y221 VanDerWaalsContact CD-CZ 3.45Å; Q152-Y221 HydrophobicContact CG-CE1 4.34Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.24Å; Q152-Y221 PolarHBondContact NE2-OH 3Å; Q152-Y221 VanDerWaalsContact OE1-CE1 3.24Å; Q152-Y221 PolarHBondContact OE1-OH 3.22Å; M217-Y221 HydrophobicContact CB-CE2 4.22Å; M217-Y221 WeakPolarHBondContact O-CD2 3.19Å; M217-Y221 VanDerWaalsContact O-CE2 3.27Å; M217-Y221 WeakPolarHBondContact O-CE2 3.21Å; M217-Y221 PolarHBondContact O-N 3.17Å; M217-Y221 VanDerWaalsContact O-N 3.11Å; V218-Y221 PolarHBondContact O-N 2.99Å; Y221-H223 VanDerWaalsContact C-N 3.29Å; Y221-D224 PolarHBondContact O-N 2.63Å; Y221-N225 VanDerWaalsContact O-CB 3.27Å; Y221-N225 WeakPolarHBondContact O-CB 3.48Å; Y221-N225 PolarHBondContact O-N 3.48Å; Y221-N225 PolarHBondContact O-ND2 3.41Å
222L81.6Confident83.5Confident2 Ų239.1 Ų39.11%0.0120%0.196CC..Hα-helixtrans-64.4-40.4176.9-170.473.7000110.5W68 M115 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.47Å; W68-L222 VanDerWaalsContact CB-CD2 3.47Å; W68-L222 HydrophobicContact CD2-CD1 3.81Å; W68-L222 HydrophobicContact CD2-CD2 4.19Å; W68-L222 HydrophobicContact CE3-CD1 4.1Å; W68-L222 HydrophobicContact CG-CD1 3.98Å; W68-L222 HydrophobicContact CG-CD2 3.65Å; W68-L222 HydrophobicContact CG-CG 4.5Å; M115-L222 HydrophobicContact SD-CD1 4.18Å; V218-L222 PolarHBondContact O-N 3.1Å; S219-L222 WeakPolarHBondContact O-CB 3.5Å; S219-L222 PolarHBondContact O-N 2.6Å; L220-L222 VanDerWaalsContact C-N 3.25Å; L220-L222 PolarHBondContact O-N 3.44Å; L222-N225 PolarHBondContact O-N 3.31Å; L222-T226 HydrophobicContact CD1-CG2 4.32Å; L222-T226 HydrophobicContact CG-CG2 4.31Å; L222-T226 WeakPolarHBondContact O-CB 3.36Å; L222-T226 WeakPolarHBondContact O-CG2 3.32Å; L222-T226 PolarHBondContact O-N 2.82Å; L222-T226 VanDerWaalsContact O-N 3.15Å; L222-T226 PolarHBondContact O-OG1 3.29Å
223H81.6Confident83Confident84 Ų8434.4 Ų34.439%0.38918%0.18SC..Hα-helixtrans-59.8-51.4174.6-174.284.8000111.6M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 3.33Å; M60-H223 PolarHBondContact O-ND1 2.74Å; S219-H223 PolarHBondContact O-N 3.16Å; L220-H223 WeakPolarHBondContact O-CA 3.47Å; L220-H223 WeakPolarHBondContact O-CB 3.5Å; L220-H223 PolarHBondContact O-N 3.28Å; Y221-H223 VanDerWaalsContact C-N 3.29Å; H223-N225 PolarHBondContact O-N 3.36Å; H223-T226 PolarHBondContact O-N 3.39Å; H223-T226 VanDerWaalsContact O-N 3.15Å; H223-T226 PolarHBondContact O-OG1 2.93Å
224D77.9Confident82.5Confident87 Ų8734.2 Ų34.247%0.46518%0.176SC..Hα-helixtrans-62-30.7-178.7-62.9-22000112.5L220 Y221L220-D224 VanDerWaalsContact O-CG 3.31Å; L220-D224 PolarHBondContact O-N 3.47Å; Y221-D224 PolarHBondContact O-N 2.63Å
225N73.8Confident82Confident31 Ų3137 Ų3717%0.16619%0.191CC..THydrogen-bonded Turntrans-91.7-0.3-179.9-74.4-71.7000114.6G116 S119 Y221 L222 H223G116-N225 VanDerWaalsContact CA-O 3.26Å; G116-N225 WeakPolarHBondContact CA-O 3.49Å; S119-N225 PolarHBondContact OG-O 3.35Å; Y221-N225 VanDerWaalsContact O-CB 3.27Å; Y221-N225 WeakPolarHBondContact O-CB 3.48Å; Y221-N225 PolarHBondContact O-N 3.48Å; Y221-N225 PolarHBondContact O-ND2 3.41Å; L222-N225 PolarHBondContact O-N 3.31Å; H223-N225 PolarHBondContact O-N 3.36Å
226T69.1Low81.4Confident29 Ų2940.4 Ų40.418%0.17821%0.208CC..  trans-110.90-178.554.30000114.9M115 K120 L222 H223M115-T226 HydrophobicContact CE-CG2 4.43Å; K120-T226 WeakPolarHBondContact CE-O 3.29Å; K120-T226 VanDerWaalsContact NZ-C 3.31Å; K120-T226 PolarHBondContact NZ-O 3.4Å; K120-T226 PolarHBondContact NZ-OXT 3.34Å; K120-T226 VanDerWaalsContact NZ-OXT 3.14Å; L222-T226 HydrophobicContact CD1-CG2 4.32Å; L222-T226 HydrophobicContact CG-CG2 4.31Å; L222-T226 WeakPolarHBondContact O-CB 3.36Å; L222-T226 WeakPolarHBondContact O-CG2 3.32Å; L222-T226 PolarHBondContact O-N 2.82Å; L222-T226 VanDerWaalsContact O-N 3.15Å; L222-T226 PolarHBondContact O-OG1 3.29Å; H223-T226 PolarHBondContact O-N 3.39Å; H223-T226 VanDerWaalsContact O-N 3.15Å; H223-T226 PolarHBondContact O-OG1 2.93Å

Retrieved 226 of 226 residues in 355.5 ms (Link to these results)