A0A023QEM9_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A023QEM9, 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
1M55.2Low73.3Confident205 Ų20598.3 Ų98.3100%1.0153%0.53SS*.  0-38.30-75.2174.8115.200112.7E3 N4M1-E3 PolarHBondContact O-N 3.43Å; M1-N4 PolarHBondContact O-N 3.09Å
2N52.6Low74.1Confident141 Ų14193.3 Ų93.375%0.75451%0.506SS*.Hα-helixtrans-60-39.2-177.9-83.418.3000115.7N4N2-N4 PolarHBondContact O-N 3.08Å
3E59.5Low75.1Confident159 Ų15993.7 Ų93.774%0.74351%0.514SS*.Hα-helixtrans-74.4-25.2-177.4-66.1-103141.200113.1M1 L5 F6 A7M1-E3 PolarHBondContact O-N 3.43Å; E3-L5 VanDerWaalsContact C-N 3.31Å; E3-L5 PolarHBondContact O-N 3.36Å; E3-F6 PolarHBondContact O-N 3.32Å; E3-A7 PolarHBondContact O-N 3.34Å
4N74.7Confident75.9Confident117 Ų11794.9 Ų94.963%0.62652%0.518SS*.Hα-helixtrans-71.4-28-173.9-65.87.2000112.4M1 N2M1-N4 PolarHBondContact O-N 3.09Å; N2-N4 PolarHBondContact O-N 3.08Å
5L75.6Confident76.4Confident43 Ų43100.3 Ų100.323%0.22555%0.545CS..Hα-helixtrans-68.7-35.9178.4-68.8176.8000112.1E3 H172 L173E3-L5 VanDerWaalsContact C-N 3.31Å; E3-L5 PolarHBondContact O-N 3.36Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.39Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.11Å; L5-L173 HydrophobicContact CD1-CD2 4.13Å; L5-L173 HydrophobicContact CD2-CD2 4.34Å
6F81.8Confident76.9Confident117 Ų11798.4 Ų98.451%0.51356%0.556SS.*Hα-helixtrans-93.7-9-176.9-66.9-75.9000113.7E3 S8 F9 L169E3-F6 PolarHBondContact O-N 3.32Å; F6-S8 PolarHBondContact O-N 2.95Å; F6-S8 VanDerWaalsContact O-N 3.14Å; F6-F9 AromaticContact CD1-CD2 3.97Å; F6-F9 HydrophobicContact CD1-CD2 3.97Å; F6-F9 HydrophobicContact CD1-CE2 4.34Å; F6-F9 PolarHBondContact O-N 2.86Å; F6-L169 HydrophobicContact CD1-CD2 4.38Å; F6-L169 HydrophobicContact CE1-CD1 4.13Å; F6-L169 HydrophobicContact CE1-CD2 4.01Å; F6-L169 HydrophobicContact CZ-CD2 4.43Å
7A79.4Confident77.3Confident54 Ų54100.2 Ų100.245%0.44656%0.563SS.*G310 helixtrans-55.1-33.118000000113.1E3 F9 I10E3-A7 PolarHBondContact O-N 3.34Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 3.14Å; A7-I10 PolarHBondContact O-N 3.38Å
8S79.4Confident77.7Confident59 Ų5998.9 Ų98.941%0.41356%0.559SS.*G310 helixtrans-69-2017757.60000114.2F6 F92F6-S8 PolarHBondContact O-N 2.95Å; F6-S8 VanDerWaalsContact O-N 3.14Å; S8-F92 WeakPolarHBondContact O-CD2 3.27Å
9F82.2Confident78.1Confident22 Ų2294.7 Ų94.710%0.09654%0.538CS..G310 helixtrans-93.5-9.7177.6-58.7-70.9000112.9F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 AromaticContact CD1-CD2 3.97Å; F6-F9 HydrophobicContact CD1-CD2 3.97Å; F6-F9 HydrophobicContact CD1-CE2 4.34Å; F6-F9 PolarHBondContact O-N 2.86Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 3.14Å; F9-A11 PolarHBondContact O-N 2.93Å; F9-T96 HydrophobicContact CD1-CG2 3.85Å; F9-T96 HydrophobicContact CE1-CG2 3.72Å; F9-Q97 PolarHBondContact O-NE2 3.47Å; F9-T165 HydrophobicContact CD1-CG2 4.39Å; F9-T165 HydrophobicContact CE1-CG2 4.07Å; F9-H168 HydrophobicContact CE1-CB 4.1Å; F9-H168 HydrophobicContact CZ-CB 3.82Å; F9-L169 HydrophobicContact CE2-CD1 4.5Å; F9-L169 HydrophobicContact CE2-CD2 3.66Å; F9-L169 HydrophobicContact CE2-CG 3.79Å; F9-L169 HydrophobicContact CZ-CD2 4.28Å; F9-L169 HydrophobicContact CZ-CG 3.93Å
10I84Confident78.5Confident113 Ų11391.1 Ų91.158%0.57952%0.52SS*.SBendtrans-70.2129.1178.1-59.2175.7000108.4A7 P12A7-I10 PolarHBondContact O-N 3.38Å; I10-P12 WeakPolarHBondContact O-CD 3.4Å
11A82.4Confident78.8Confident51 Ų5190.6 Ų90.642%0.42152%0.519SS..PPolyproline II helixtrans-59.1121.2-179.900000110.2F9 T13 F92F9-A11 PolarHBondContact O-N 2.93Å; A11-T13 PolarHBondContact O-N 3.42Å; A11-F92 HydrophobicContact CB-CZ 4.45Å
12P82.6Confident80.3Confident38 Ų3887 Ų8725%0.24750%0.503CS..PPolyproline II helixtrans-70.8127.5-174.426.6-32.9000110I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.4Å; P12-A19 HydrophobicContact CB-CB 4.22Å; P12-A19 HydrophobicContact CG-CB 4.27Å; P12-A19 WeakPolarHBondContact O-CB 3.31Å; P12-A19 PolarHBondContact O-N 3.11Å; P12-I23 HydrophobicContact CG-CD1 3.65Å; P12-F92 HydrophobicContact CG-CB 4.41Å; P12-F92 HydrophobicContact CG-CD1 4.17Å; P12-F92 HydrophobicContact CG-CG 4.12Å
13T86.3Confident81.9Confident99 Ų9982.6 Ų82.661%0.60748%0.479SS*.EExtended strand (participates in β ladder)trans-116.5126.417054.30000108.5A11 L17A11-T13 PolarHBondContact O-N 3.42Å; T13-L17 CarbonylContact C-O 3.6Å; T13-L17 VanDerWaalsContact CA-O 3.28Å; T13-L17 WeakPolarHBondContact CA-O 3.47Å
14I86.4Confident83.3Confident111 Ų11177.5 Ų77.557%0.56946%0.456SS*.EExtended strand (participates in β ladder)trans-111.7121.6175.8-63.8172.3000106.2G16 L17 A19I14-G16 PolarHBondContact O-N 3.36Å; I14-G16 VanDerWaalsContact O-N 3.15Å; I14-L17 PolarHBondContact N-O 3.27Å; I14-L17 PolarHBondContact O-N 3.47Å; I14-A19 HydrophobicContact CD1-CB 3.87Å; I14-A19 HydrophobicContact CG1-CB 3.97Å
15L84.5Confident83.9Confident176 Ų17677.5 Ų77.592%0.92146%0.456SS*.THydrogen-bonded Turntrans53.933.7179.3-73.3147000113.5L17L15-L17 VanDerWaalsContact C-N 3.25Å; L15-L17 PolarHBondContact O-N 2.98Å
16G83.1Confident84.5Confident70 Ų7080 Ų8072%0.72247%0.465SS*.THydrogen-bonded Turntrans79-2.2-177.900000115.3I14I14-G16 PolarHBondContact O-N 3.36Å; I14-G16 VanDerWaalsContact O-N 3.15Å
17L84.3Confident84.9Confident128 Ų12874.6 Ų74.667%0.6744%0.441SS*.EExtended strand (participates in β ladder)trans-93.9139.8172.9-66.8168.8000111T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.6Å; T13-L17 VanDerWaalsContact CA-O 3.28Å; T13-L17 WeakPolarHBondContact CA-O 3.47Å; I14-L17 PolarHBondContact N-O 3.27Å; I14-L17 PolarHBondContact O-N 3.47Å; L15-L17 VanDerWaalsContact C-N 3.25Å; L15-L17 PolarHBondContact O-N 2.98Å; L17-A19 PolarHBondContact O-N 3.01Å
18P84.9Confident85.1Confident78 Ų7875.2 Ų75.251%0.50644%0.441SS..EExtended strand (participates in β ladder)trans-71.2104177.929-33.3000110.5A20 V21P18-A20 PolarHBondContact O-N 3.45Å; P18-V21 HydrophobicContact CG-CG2 4.3Å; P18-V21 PolarHBondContact O-N 3Å
19A85.7Confident85.5Confident19 Ų1978.8 Ų78.816%0.15746%0.455CS..THydrogen-bonded Turntrans-69.3-16.3176.900000112.3P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.22Å; P12-A19 HydrophobicContact CG-CB 4.27Å; P12-A19 WeakPolarHBondContact O-CB 3.31Å; P12-A19 PolarHBondContact O-N 3.11Å; I14-A19 HydrophobicContact CD1-CB 3.87Å; I14-A19 HydrophobicContact CG1-CB 3.97Å; L17-A19 PolarHBondContact O-N 3.01Å; A19-V21 PolarHBondContact O-N 3.18Å; A19-L22 PolarHBondContact O-N 3.43Å; A19-L22 VanDerWaalsContact O-N 3.08Å; A19-I23 PolarHBondContact O-N 2.95Å
20A85.1Confident85.8Confident21 Ų2181.5 Ų81.517%0.17447%0.47CS..Hα-helixtrans-53.5-34174.300000113.2P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 3.45Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 3.36Å; A20-I23 PolarHBondContact O-N 3.04Å; A20-I24 VanDerWaalsContact O-CG1 3.27Å; A20-I24 WeakPolarHBondContact O-CG1 3.21Å; A20-I24 PolarHBondContact O-N 3.26Å; A20-F92 HydrophobicContact CB-CE1 4.42Å
21V85.1Confident86Confident82 Ų8278.7 Ų78.750%0.49746%0.455SS..Hα-helixtrans-63.4-42.3178.7-179.90000111.2P18 A19 I23 I24 L25P18-V21 HydrophobicContact CG-CG2 4.3Å; P18-V21 PolarHBondContact O-N 3Å; A19-V21 PolarHBondContact O-N 3.18Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.43Å; V21-I24 PolarHBondContact O-N 2.76Å; V21-L25 HydrophobicContact CG1-CD1 4.14Å; V21-L25 WeakPolarHBondContact O-CG 3.35Å; V21-L25 PolarHBondContact O-N 3.23Å; V21-L25 VanDerWaalsContact O-N 3.09Å
22L86.1Confident86.2Confident129 Ų12979 Ų7968%0.67545%0.453SS*.Hα-helixtrans-66.4-37.7179-169.8139.2000111.2A19 A20 L25 F26A19-L22 PolarHBondContact O-N 3.43Å; A19-L22 VanDerWaalsContact O-N 3.08Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 3.36Å; L22-L25 PolarHBondContact O-N 2.95Å; L22-F26 PolarHBondContact O-N 3.47Å
23I87.4Confident86.4Confident49 Ų4983.7 Ų83.725%0.25148%0.481SS..Hα-helixtrans-66.2-41.3176.9-59.9168.9000110.9P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.65Å; A19-I23 PolarHBondContact O-N 2.95Å; A20-I23 PolarHBondContact O-N 3.04Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.43Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.43Å; I23-F26 WeakPolarHBondContact O-CB 3.12Å; I23-F26 PolarHBondContact O-N 3.09Å; I23-P27 VanDerWaalsContact O-CD 3.25Å; I23-P27 WeakPolarHBondContact O-CD 3.3Å; I23-F92 HydrophobicContact CD1-CB 4.05Å; I23-F92 HydrophobicContact CD1-CD1 3.85Å; I23-F92 HydrophobicContact CD1-CG 4.33Å; I23-F92 HydrophobicContact CG2-CD1 4.5Å
24I87.9Confident86.5Confident51 Ų5180.8 Ų80.826%0.26247%0.465SS..Hα-helixtrans-65.7-32.4176.9-68.6164.2000111.8A20 V21 F26 P27 F78 P94 M100A20-I24 VanDerWaalsContact O-CG1 3.27Å; A20-I24 WeakPolarHBondContact O-CG1 3.21Å; A20-I24 PolarHBondContact O-N 3.26Å; V21-I24 PolarHBondContact O-N 2.76Å; I24-F26 VanDerWaalsContact C-N 3.34Å; I24-P27 WeakPolarHBondContact O-CD 2.93Å; I24-F78 HydrophobicContact CG2-CZ 4.3Å; I24-P94 HydrophobicContact CD1-CB 4.28Å; I24-P94 HydrophobicContact CG1-CB 3.73Å; I24-P94 HydrophobicContact CG1-CG 4.06Å; I24-M100 HydrophobicContact CD1-SD 4.37Å; I24-M100 HydrophobicContact CG2-CE 4.45Å
25L87.4Confident86.5Confident117 Ų11785.9 Ų85.961%0.61348%0.483SS*.Hα-helixtrans-80.7-11.6178.5-72.2172000114.1V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.14Å; V21-L25 WeakPolarHBondContact O-CG 3.35Å; V21-L25 PolarHBondContact O-N 3.23Å; V21-L25 VanDerWaalsContact O-N 3.09Å; L22-L25 PolarHBondContact O-N 2.95Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.43Å; L25-P28 WeakPolarHBondContact O-CD 3.31Å
26F88.8Confident86.5Confident96 Ų9686.3 Ų86.342%0.42147%0.474SS..Hα-helixtrans-71.4-43.2-176.3-171.5-102.7000114.9L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 3.47Å; I23-F26 WeakPolarHBondContact O-CB 3.12Å; I23-F26 PolarHBondContact O-N 3.09Å; I24-F26 VanDerWaalsContact C-N 3.34Å; F26-L29 VanDerWaalsContact O-CB 3.31Å; F26-L29 WeakPolarHBondContact O-CB 3.42Å; F26-L29 PolarHBondContact O-N 3.3Å; F26-L30 HydrophobicContact CD1-CD1 4.46Å; F26-L30 HydrophobicContact CE1-CD1 4.13Å; F26-L30 HydrophobicContact CE1-CD2 4.4Å; F26-L30 HydrophobicContact CE1-CG 4.35Å; F26-L30 HydrophobicContact CZ-CD2 4.46Å; F26-L85 HydrophobicContact CD1-CD2 3.3Å; F26-L85 HydrophobicContact CE1-CD2 3.51Å
27P88.8Confident86.3Confident3 Ų391.4 Ų91.42%0.01948%0.483CS..Hα-helixtrans-57-42.1179.5-15.220.7000115.3I23 I24 L29 L30 T81 T82I23-P27 VanDerWaalsContact O-CD 3.25Å; I23-P27 WeakPolarHBondContact O-CD 3.3Å; I24-P27 WeakPolarHBondContact O-CD 2.93Å; P27-L29 PolarHBondContact O-N 3.02Å; P27-L30 WeakPolarHBondContact O-CB 3.43Å; P27-L30 PolarHBondContact O-N 3.12Å; P27-L30 VanDerWaalsContact O-N 3.09Å; P27-T81 WeakPolarHBondContact CB-OG1 3.44Å; P27-T82 HydrophobicContact CB-CG2 4.24Å; P27-T82 HydrophobicContact CG-CG2 3.49Å; P27-T82 VanDerWaalsContact CG-CG2 3.49Å
28P84.8Confident86.4Confident68 Ų6892.8 Ų92.844%0.44249%0.49SS..Hα-helixtrans-55.6-33.7173.5-26.632.5000114.1L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.31Å; P28-L30 PolarHBondContact O-N 3.5Å; P28-I31 PolarHBondContact O-N 3.23Å
29L88.3Confident86.7Confident133 Ų13390.2 Ų90.270%0.69647%0.472SS*.Hα-helixtrans-67.5-25.4179.9-172.365.2000112.4F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.31Å; F26-L29 WeakPolarHBondContact O-CB 3.42Å; F26-L29 PolarHBondContact O-N 3.3Å; P27-L29 PolarHBondContact O-N 3.02Å; L29-I31 PolarHBondContact O-N 3.3Å
30L87.8Confident86.9Confident79 Ų7994.7 Ų94.741%0.41449%0.493SS..THydrogen-bonded Turntrans-75.5-4.7178.8-66174.7000113.9F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CD1-CD1 4.46Å; F26-L30 HydrophobicContact CE1-CD1 4.13Å; F26-L30 HydrophobicContact CE1-CD2 4.4Å; F26-L30 HydrophobicContact CE1-CG 4.35Å; F26-L30 HydrophobicContact CZ-CD2 4.46Å; P27-L30 WeakPolarHBondContact O-CB 3.43Å; P27-L30 PolarHBondContact O-N 3.12Å; P27-L30 VanDerWaalsContact O-N 3.09Å; P28-L30 PolarHBondContact O-N 3.5Å; L30-P32 VanDerWaalsContact C-CD 3.41Å; L30-P32 WeakPolarHBondContact O-CD 3.31Å; L30-Q46 PolarHBondContact O-NE2 3.32Å; L30-L85 HydrophobicContact CD1-CD1 3.5Å; L30-L85 HydrophobicContact CD1-CD2 3.77Å; L30-L85 HydrophobicContact CD1-CG 4.08Å
31I88.2Confident87.1Confident54 Ų54103.8 Ų103.828%0.27752%0.523SS..SBendtrans-108.281.9-178.9-53.9162.2000108.4P28 L29 I77P28-I31 PolarHBondContact O-N 3.23Å; L29-I31 PolarHBondContact O-N 3.3Å; I31-I77 HydrophobicContact CD1-CG2 3.38Å; I31-I77 HydrophobicContact CG1-CG2 4.43Å
32P87.4Confident87.3Confident57 Ų57104 Ų10437%0.3752%0.521SS..  trans-67.1138.9178.727.1-34000110.8L30 L42 I43L30-P32 VanDerWaalsContact C-CD 3.41Å; L30-P32 WeakPolarHBondContact O-CD 3.31Å; P32-L42 HydrophobicContact CG-CD2 3.76Å; P32-I43 HydrophobicContact CB-CD1 4.41Å; P32-I43 HydrophobicContact CB-CG1 4.44Å; P32-I43 HydrophobicContact CG-CD1 4.45Å; P32-I43 HydrophobicContact CG-CG1 3.98Å
33T87.2Confident87.6Confident137 Ų13798.8 Ų98.884%0.8449%0.494SS*.  trans-105.5140.6171.258.50000109.8
34S87.2Confident87.8Confident39 Ų3999.3 Ų99.327%0.27350%0.499SS..  trans-120.9142.6175.6164.10000109.8Y36 N39S34-Y36 PolarHBondContact OG-N 3.32Å; S34-N39 VanDerWaalsContact CB-OD1 3.23Å; S34-N39 WeakPolarHBondContact CB-OD1 3.26Å; S34-N39 PolarHBondContact OG-OD1 2.92Å
35K86.1Confident87.9Confident218 Ų218101 Ų10195%0.94851%0.512SS*.  trans-86.4-13.1173.6-62.9-178.1-178.7178.50113
36Y86.1Confident88.1Confident184 Ų18497.6 Ų97.672%0.72249%0.493SS*.SBendtrans-81.1154.2-175.8-61-73.8000111.9S34 N39S34-Y36 PolarHBondContact OG-N 3.32Å; Y36-N39 PolarHBondContact O-ND2 3.38Å; Y36-N39 PolarHBondContact O-OD1 3.4Å
37L78.9Confident88.2Confident177 Ų17797.7 Ų97.793%0.92750%0.495SS*.SBendtrans-73.6-39.5176.9-17074.8000111.6
38I86.1Confident88.4Confident157 Ų157105.6 Ų105.681%0.80552%0.524SS*.SBendtrans-101.4113.1174.9-59.1170.8000107.2
39N89.7Confident88.7Confident24 Ų24107 Ų10713%0.12853%0.527CS..  trans-107.7167.8-173.2-73.7-16000112.6S34 Y36 I43 T44 Q47S34-N39 VanDerWaalsContact CB-OD1 3.23Å; S34-N39 WeakPolarHBondContact CB-OD1 3.26Å; S34-N39 PolarHBondContact OG-OD1 2.92Å; Y36-N39 PolarHBondContact O-ND2 3.38Å; Y36-N39 PolarHBondContact O-OD1 3.4Å; N39-I43 HydrophobicContact CB-CB 3.94Å; N39-I43 HydrophobicContact CB-CG2 3.82Å; N39-I43 WeakPolarHBondContact ND2-CG2 3Å; N39-T44 HydrophobicContact CB-CG2 4.08Å; N39-Q47 PolarHBondContact ND2-NE2 2.99Å
40N90.2Very high88.8Confident114 Ų114103.3 Ų103.361%0.6151%0.508SS*.  trans-62.4152.5170.9-166.30.5000110.9L42 I43 T44N40-L42 PolarHBondContact O-N 3.29Å; N40-L42 VanDerWaalsContact O-N 3.14Å; N40-I43 PolarHBondContact O-N 2.87Å; N40-T44 PolarHBondContact O-N 2.84Å
41R89.6Confident89Confident212 Ų212106.8 Ų106.880%0.852%0.52SS*.Hα-helixtrans-52.9-36.1-178.6-63.6-177.9-179.1-178.70.3113.2T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.27Å; R41-T44 PolarHBondContact O-OG1 3.18Å; R41-T45 WeakPolarHBondContact O-CG2 3.42Å; R41-T45 PolarHBondContact O-N 3.2Å; R41-T45 PolarHBondContact O-OG1 3.08Å
42L89.6Confident89.2Confident87 Ų87107.4 Ų107.446%0.45552%0.523SS..Hα-helixtrans-66.1-44.2177.3-168154.8000111.1P32 N40 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.76Å; N40-L42 PolarHBondContact O-N 3.29Å; N40-L42 VanDerWaalsContact O-N 3.14Å; L42-T45 PolarHBondContact O-OG1 3.46Å; L42-Q46 VanDerWaalsContact CD2-CD 3.4Å; L42-Q46 HydrophobicContact CD2-CG 4.18Å; L42-Q46 VanDerWaalsContact CD2-NE2 3.32Å; L42-Q46 WeakPolarHBondContact O-CB 3.5Å; L42-Q46 VanDerWaalsContact O-CG 3.28Å; L42-Q46 WeakPolarHBondContact O-CG 3.39Å; L42-Q46 PolarHBondContact O-N 3.35Å
43I91.7Very high89.2Confident18 Ų18105.8 Ų105.89%0.09251%0.512CS..Hα-helixtrans-70.3-37.1179.5-60.4173.6000110.6P32 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.41Å; P32-I43 HydrophobicContact CB-CG1 4.44Å; P32-I43 HydrophobicContact CG-CD1 4.45Å; P32-I43 HydrophobicContact CG-CG1 3.98Å; N39-I43 HydrophobicContact CB-CB 3.94Å; N39-I43 HydrophobicContact CB-CG2 3.82Å; N39-I43 WeakPolarHBondContact ND2-CG2 3Å; N40-I43 PolarHBondContact O-N 2.87Å; I43-Q46 PolarHBondContact O-N 3.43Å; I43-Q47 HydrophobicContact CG2-CG 4.29Å; I43-Q47 WeakPolarHBondContact O-CB 3.49Å; I43-Q47 VanDerWaalsContact O-CG 3.25Å; I43-Q47 WeakPolarHBondContact O-CG 3.32Å; I43-Q47 PolarHBondContact O-N 3.44Å
44T91.6Very high89.3Confident61 Ų61100.7 Ų100.737%0.37448%0.482SS..Hα-helixtrans-67.1-40.9177.759.20000112.2N39 N40 R41 Q47 W48N39-T44 HydrophobicContact CB-CG2 4.08Å; N40-T44 PolarHBondContact O-N 2.84Å; R41-T44 WeakPolarHBondContact CA-OG1 3.27Å; R41-T44 PolarHBondContact O-OG1 3.18Å; T44-Q47 PolarHBondContact O-N 3.14Å; T44-W48 WeakPolarHBondContact O-CB 3.19Å; T44-W48 PolarHBondContact O-N 3.12Å
45T91.3Very high89.4Confident86 Ų86106.4 Ų106.453%0.52850%0.502SS..Hα-helixtrans-66-40.5174.551.40000111.9R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.42Å; R41-T45 PolarHBondContact O-N 3.2Å; R41-T45 PolarHBondContact O-OG1 3.08Å; L42-T45 PolarHBondContact O-OG1 3.46Å; T45-W48 PolarHBondContact O-N 3.47Å; T45-L49 WeakPolarHBondContact O-CB 3.18Å; T45-L49 PolarHBondContact O-N 3.34Å
46Q91.3Very high89.5Confident46 Ų46102 Ų10222%0.21549%0.485CS..Hα-helixtrans-60-50.4172.4-76.2177.3-21.300112L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 3.32Å; L42-Q46 VanDerWaalsContact CD2-CD 3.4Å; L42-Q46 HydrophobicContact CD2-CG 4.18Å; L42-Q46 VanDerWaalsContact CD2-NE2 3.32Å; L42-Q46 WeakPolarHBondContact O-CB 3.5Å; L42-Q46 VanDerWaalsContact O-CG 3.28Å; L42-Q46 WeakPolarHBondContact O-CG 3.39Å; L42-Q46 PolarHBondContact O-N 3.35Å; I43-Q46 PolarHBondContact O-N 3.43Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.42Å; Q46-L49 PolarHBondContact O-N 2.95Å; Q46-I50 VanDerWaalsContact O-CG1 3.24Å; Q46-I50 WeakPolarHBondContact O-CG1 3.4Å; Q46-I50 PolarHBondContact O-N 2.97Å
47Q90.6Very high89.4Confident98 Ų9893.9 Ų93.946%0.45845%0.454SS..Hα-helixtrans-60.8-38.9178.2-74.4175.4-14.700112.2N39 I43 T44 K51N39-Q47 PolarHBondContact ND2-NE2 2.99Å; I43-Q47 HydrophobicContact CG2-CG 4.29Å; I43-Q47 WeakPolarHBondContact O-CB 3.49Å; I43-Q47 VanDerWaalsContact O-CG 3.25Å; I43-Q47 WeakPolarHBondContact O-CG 3.32Å; I43-Q47 PolarHBondContact O-N 3.44Å; T44-Q47 PolarHBondContact O-N 3.14Å; Q47-K51 WeakPolarHBondContact O-CB 3.4Å; Q47-K51 PolarHBondContact O-N 3.1Å
48W92.6Very high89.6Confident169 Ų16986.3 Ų86.364%0.6441%0.414SS*.Hα-helixtrans-63.7-45175.8-17881.1000111.8T44 T45 Q46 K51 L52T44-W48 WeakPolarHBondContact O-CB 3.19Å; T44-W48 PolarHBondContact O-N 3.12Å; T45-W48 PolarHBondContact O-N 3.47Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.42Å; W48-K51 PolarHBondContact O-N 3.44Å; W48-L52 HydrophobicContact CD2-CD1 3.73Å; W48-L52 HydrophobicContact CD2-CG 4.39Å; W48-L52 VanDerWaalsContact CE2-CD1 3.5Å; W48-L52 HydrophobicContact CE3-CD1 3.75Å; W48-L52 HydrophobicContact CH2-CD1 3.41Å; W48-L52 VanDerWaalsContact CH2-CD1 3.41Å; W48-L52 HydrophobicContact CZ2-CD1 3.38Å; W48-L52 HydrophobicContact CZ2-CG 4.44Å; W48-L52 HydrophobicContact CZ3-CD1 3.59Å; W48-L52 WeakPolarHBondContact O-CG 3.32Å; W48-L52 PolarHBondContact O-N 3.35Å
49L91.2Very high89.5Confident96 Ų9682.5 Ų82.550%0.50341%0.406SS..Hα-helixtrans-62.6-46.1177.7-164.8148.9000111.4T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.18Å; T45-L49 PolarHBondContact O-N 3.34Å; Q46-L49 PolarHBondContact O-N 2.95Å; L49-K51 VanDerWaalsContact C-N 3.3Å; L49-K51 PolarHBondContact O-N 3.28Å; L49-L52 PolarHBondContact O-N 3.46Å; L49-T53 HydrophobicContact CD2-CG2 4.01Å; L49-T53 WeakPolarHBondContact O-CG2 3.32Å; L49-T53 PolarHBondContact O-N 3.16Å; L49-T53 PolarHBondContact O-OG1 3.28Å
50I91.6Very high88.9Confident57 Ų5787.6 Ų87.629%0.29243%0.43SS..Hα-helixtrans-59.9-40.8176.4-66171.3000111.4Q46 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.24Å; Q46-I50 WeakPolarHBondContact O-CG1 3.4Å; Q46-I50 PolarHBondContact O-N 2.97Å; I50-T53 PolarHBondContact O-OG1 3.24Å; I50-S54 VanDerWaalsContact O-CB 3.31Å; I50-S54 WeakPolarHBondContact O-CB 3.4Å; I50-S54 PolarHBondContact O-N 2.78Å; I50-S54 PolarHBondContact O-OG 3.12Å; I50-V73 HydrophobicContact CG2-CG1 3.84Å; I50-I77 HydrophobicContact CD1-CD1 4Å; I50-I77 HydrophobicContact CG1-CD1 3.73Å
51K91.3Very high88.5Confident152 Ų15282.4 Ų82.466%0.66140%0.403SS*.Hα-helixtrans-66.7-38.4178.4-174.3176.3-179.8178.20111.9Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3.4Å; Q47-K51 PolarHBondContact O-N 3.1Å; W48-K51 PolarHBondContact O-N 3.44Å; L49-K51 VanDerWaalsContact C-N 3.3Å; L49-K51 PolarHBondContact O-N 3.28Å; K51-S54 WeakPolarHBondContact CA-OG 3.31Å; K51-S54 PolarHBondContact O-OG 2.76Å; K51-S54 VanDerWaalsContact O-OG 3.08Å; K51-K55 VanDerWaalsContact O-CB 3.27Å; K51-K55 WeakPolarHBondContact O-CB 3.34Å; K51-K55 PolarHBondContact O-N 2.93Å; K51-K55 VanDerWaalsContact O-N 3.11Å
52L91.4Very high88Confident66 Ų6677.5 Ų77.535%0.34639%0.392SS..Hα-helixtrans-68.9-48.8177.5-74.1177000112W48 L49 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.73Å; W48-L52 HydrophobicContact CD2-CG 4.39Å; W48-L52 VanDerWaalsContact CE2-CD1 3.5Å; W48-L52 HydrophobicContact CE3-CD1 3.75Å; W48-L52 HydrophobicContact CH2-CD1 3.41Å; W48-L52 VanDerWaalsContact CH2-CD1 3.41Å; W48-L52 HydrophobicContact CZ2-CD1 3.38Å; W48-L52 HydrophobicContact CZ2-CG 4.44Å; W48-L52 HydrophobicContact CZ3-CD1 3.59Å; W48-L52 WeakPolarHBondContact O-CG 3.32Å; W48-L52 PolarHBondContact O-N 3.35Å; L49-L52 PolarHBondContact O-N 3.46Å; L52-K55 PolarHBondContact O-N 3Å; L52-Q56 WeakPolarHBondContact O-CG 3.36Å; L52-Q56 PolarHBondContact O-N 3.27Å
53T88.7Confident87.5Confident23 Ų2379 Ų7914%0.14141%0.405CS..Hα-helixtrans-62.8-46.4-179.157.10000110.9L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 4.01Å; L49-T53 WeakPolarHBondContact O-CG2 3.32Å; L49-T53 PolarHBondContact O-N 3.16Å; L49-T53 PolarHBondContact O-OG1 3.28Å; I50-T53 PolarHBondContact O-OG1 3.24Å; T53-K55 PolarHBondContact O-N 2.85Å; T53-Q56 PolarHBondContact O-N 3.43Å; T53-M57 VanDerWaalsContact O-CG 3.31Å; T53-M57 WeakPolarHBondContact O-CG 3.34Å; T53-M57 PolarHBondContact O-N 2.97Å
54S89.3Confident86.9Confident30 Ų3084.1 Ų84.121%0.2143%0.427CS..Hα-helixtrans-60.4-42.6176.557.50000112.4I50 K51 Q56 M58I50-S54 VanDerWaalsContact O-CB 3.31Å; I50-S54 WeakPolarHBondContact O-CB 3.4Å; I50-S54 PolarHBondContact O-N 2.78Å; I50-S54 PolarHBondContact O-OG 3.12Å; K51-S54 WeakPolarHBondContact CA-OG 3.31Å; K51-S54 PolarHBondContact O-OG 2.76Å; K51-S54 VanDerWaalsContact O-OG 3.08Å; S54-Q56 PolarHBondContact O-N 3.1Å; S54-M58 WeakPolarHBondContact O-CB 3.26Å; S54-M58 WeakPolarHBondContact O-CG 3.22Å; S54-M58 PolarHBondContact O-N 3.35Å
55K89Confident86.2Confident160 Ų16081.2 Ų81.270%0.69641%0.409SS*.Hα-helixtrans-62.5-43.9177.7-174.3179.8178-174.90112K51 L52 T53 A59K51-K55 VanDerWaalsContact O-CB 3.27Å; K51-K55 WeakPolarHBondContact O-CB 3.34Å; K51-K55 PolarHBondContact O-N 2.93Å; K51-K55 VanDerWaalsContact O-N 3.11Å; L52-K55 PolarHBondContact O-N 3Å; T53-K55 PolarHBondContact O-N 2.85Å; K55-A59 PolarHBondContact O-N 2.92Å
56Q86.8Confident85.8Confident124 Ų12483.9 Ų83.958%0.57941%0.409SS*.Hα-helixtrans-68.8-47.1-179.1-73.4-179.5-17.300112L52 T53 S54 A59L52-Q56 WeakPolarHBondContact O-CG 3.36Å; L52-Q56 PolarHBondContact O-N 3.27Å; T53-Q56 PolarHBondContact O-N 3.43Å; S54-Q56 PolarHBondContact O-N 3.1Å; Q56-A59 PolarHBondContact O-N 3.06Å
57M84.5Confident85.5Confident14 Ų1486.4 Ų86.47%0.06943%0.428CS..Hα-helixtrans-67.9-38.6-178.8-63.3-171.897.200112T53 A59 H61 T215T53-M57 VanDerWaalsContact O-CG 3.31Å; T53-M57 WeakPolarHBondContact O-CG 3.34Å; T53-M57 PolarHBondContact O-N 2.97Å; M57-A59 VanDerWaalsContact C-N 3.31Å; M57-A59 PolarHBondContact O-N 3.18Å; M57-H61 PolarHBondContact O-ND1 3.1Å; M57-T215 VanDerWaalsContact CE-OG1 3.31Å; M57-T215 WeakPolarHBondContact CE-OG1 3.41Å
58M84.6Confident85.3Confident19 Ų1984.2 Ų84.29%0.09442%0.416CS..Hα-helixtrans-80.8-9.5-176.9-64.2-61.9106.700114.1S54 M60 H61 R66 S69 L72S54-M58 WeakPolarHBondContact O-CB 3.26Å; S54-M58 WeakPolarHBondContact O-CG 3.22Å; S54-M58 PolarHBondContact O-N 3.35Å; M58-M60 PolarHBondContact O-N 2.94Å; M58-H61 PolarHBondContact O-N 3.48Å; M58-R66 HydrophobicContact SD-CB 4.42Å; M58-R66 HydrophobicContact SD-CG 4.1Å; M58-S69 VanDerWaalsContact SD-CB 3.5Å; M58-L72 HydrophobicContact CE-CD1 3.61Å
59A84Confident85.1Confident77 Ų7777.6 Ų77.664%0.63640%0.395SS*.THydrogen-bonded Turntrans-61.9-31.6175.900000112.3K55 Q56 M57K55-A59 PolarHBondContact O-N 2.92Å; Q56-A59 PolarHBondContact O-N 3.06Å; M57-A59 VanDerWaalsContact C-N 3.31Å; M57-A59 PolarHBondContact O-N 3.18Å
60M76.8Confident85Confident130 Ų13080.2 Ų80.264%0.6441%0.409SS*.THydrogen-bonded Turntrans-84.7-9-179.1-61178.5177.200113.6M58 H223M58-M60 PolarHBondContact O-N 2.94Å; M60-H223 PolarHBondContact O-CE1 3.12Å; M60-H223 PolarHBondContact O-ND1 3.49Å
61H81.4Confident85Confident6 Ų680 Ų803%0.02841%0.407CS..  trans-107.4139.5-167.5-70.279.2000113.9M57 M58 R66 S219M57-H61 PolarHBondContact O-ND1 3.1Å; M58-H61 PolarHBondContact O-N 3.48Å; H61-R66 HydrophobicContact CB-CG 4.4Å; H61-R66 PolarHBondContact O-NE 3.4Å; H61-S219 PolarHBondContact NE2-O 3.36Å
62N78.8Confident84.9Confident108 Ų10872.9 Ų72.958%0.57838%0.376SS*.  trans-70.7169.7168.9-79.8-20.2000112.4K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.28Å; N62-K64 PolarHBondContact O-N 2.98Å; N62-G65 PolarHBondContact O-N 2.89Å; N62-R66 PolarHBondContact O-N 3.37Å
63T79.4Confident84.9Confident119 Ų11970.4 Ų70.473%0.7336%0.364SS*.THydrogen-bonded Turntrans-54.1-38.2-175.952.90000114
64K78Confident85.1Confident126 Ų12672.5 Ų72.555%0.54838%0.379SS..THydrogen-bonded Turntrans-67.2-44.4174.6-69.3-176.6-178.3176.80112.2N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.28Å; N62-K64 PolarHBondContact O-N 2.98Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 3.3Å; K64-T67 WeakPolarHBondContact O-CB 3.42Å; K64-T67 PolarHBondContact O-N 3.34Å; K64-T67 PolarHBondContact O-OG1 3.15Å
65G77.6Confident85.1Confident0 Ų071.9 Ų71.90%037%0.374CS..G310 helixtrans-64.4-31.3177.500000113.1N62 T67 W68 L222N62-G65 PolarHBondContact O-N 2.89Å; G65-T67 PolarHBondContact O-N 3.46Å; G65-T67 VanDerWaalsContact O-N 3.15Å; G65-W68 PolarHBondContact O-N 2.64Å; G65-L222 WeakPolarHBondContact O-CD2 3.35Å
66R82.9Confident85.2Confident141 Ų14165.1 Ų65.153%0.53235%0.345SS..G310 helixtrans-62.6-20.1175.9-72.2-179.1-176.7-175.9-0114.3M58 H61 N62 K64 W68 S69M58-R66 HydrophobicContact SD-CB 4.42Å; M58-R66 HydrophobicContact SD-CG 4.1Å; H61-R66 HydrophobicContact CB-CG 4.4Å; H61-R66 PolarHBondContact O-NE 3.4Å; N62-R66 PolarHBondContact O-N 3.37Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 3.3Å; R66-W68 PolarHBondContact O-N 3.19Å; R66-S69 WeakPolarHBondContact O-CB 3.48Å; R66-S69 PolarHBondContact O-N 3.06Å; R66-S69 VanDerWaalsContact O-N 3.11Å
67T85.7Confident85.5Confident99 Ų9960.9 Ų60.961%0.60733%0.326SS*.G310 helixtrans-63.3-26.117462.10000112.3K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.42Å; K64-T67 PolarHBondContact O-N 3.34Å; K64-T67 PolarHBondContact O-OG1 3.15Å; G65-T67 PolarHBondContact O-N 3.46Å; G65-T67 VanDerWaalsContact O-N 3.15Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 3.43Å
68W86.1Confident85.8Confident53 Ų5362.5 Ų62.520%0.20133%0.333CS..G310 helixtrans-85.21.4177.4-7361.4000113.6G65 R66 L70 M71 L72 M115 L222G65-W68 PolarHBondContact O-N 2.64Å; R66-W68 PolarHBondContact O-N 3.19Å; W68-L70 VanDerWaalsContact C-N 3.32Å; W68-L70 PolarHBondContact O-N 3Å; W68-M71 HydrophobicContact CD2-CE 4.25Å; W68-M71 HydrophobicContact CE3-CE 3.1Å; W68-M71 HydrophobicContact CE3-SD 3.69Å; W68-M71 HydrophobicContact CH2-SD 4.49Å; W68-M71 HydrophobicContact CZ3-CE 3.34Å; W68-M71 HydrophobicContact CZ3-SD 3.6Å; W68-M71 PolarHBondContact O-N 3.19Å; W68-M71 VanDerWaalsContact O-N 3.13Å; W68-L72 PolarHBondContact O-N 3Å; W68-M115 HydrophobicContact CZ2-SD 3.93Å; W68-M115 PolarHBondContact NE1-SD 3.01Å; W68-L222 HydrophobicContact CB-CD1 4.3Å; W68-L222 HydrophobicContact CB-CD2 3.66Å; W68-L222 HydrophobicContact CD2-CD1 3.43Å; W68-L222 VanDerWaalsContact CD2-CD1 3.43Å; W68-L222 HydrophobicContact CD2-CD2 4.42Å; W68-L222 HydrophobicContact CE3-CD1 3.55Å; W68-L222 HydrophobicContact CG-CD1 3.7Å; W68-L222 HydrophobicContact CG-CD2 3.82Å; W68-L222 HydrophobicContact CG-CG 4.43Å; W68-L222 HydrophobicContact CZ2-CD1 4.44Å; W68-L222 HydrophobicContact CZ3-CD1 4.18Å
69S87.1Confident86.1Confident30 Ų3061.6 Ų61.621%0.2133%0.328CS..Hα-helixtrans-53.6-47.4-178.8-178.90000112.4M58 R66 T67 M71 L72 V73M58-S69 VanDerWaalsContact SD-CB 3.5Å; R66-S69 WeakPolarHBondContact O-CB 3.48Å; R66-S69 PolarHBondContact O-N 3.06Å; R66-S69 VanDerWaalsContact O-N 3.11Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 3.43Å; S69-M71 VanDerWaalsContact C-N 3.29Å; S69-M71 PolarHBondContact O-N 3.3Å; S69-L72 PolarHBondContact O-N 3.36Å; S69-V73 WeakPolarHBondContact O-CB 3.2Å; S69-V73 VanDerWaalsContact O-CG2 3.24Å; S69-V73 WeakPolarHBondContact O-CG2 3.23Å; S69-V73 PolarHBondContact O-N 3.09Å
70L90.6Very high86.4Confident150 Ų15059.4 Ų59.479%0.78531%0.31SS*.Hα-helixtrans-58-44.8-179.6-172.182.4000111.2W68 S74W68-L70 VanDerWaalsContact C-N 3.32Å; W68-L70 PolarHBondContact O-N 3Å; L70-S74 WeakPolarHBondContact O-CB 3.43Å; L70-S74 PolarHBondContact O-N 3.38Å; L70-S74 PolarHBondContact O-OG 3.41Å
71M90.8Very high87.1Confident53 Ų5354.7 Ų54.726%0.26129%0.288SS..Hα-helixtrans-66.4-48.1-177.6-168.1-16474.400110.9W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 4.25Å; W68-M71 HydrophobicContact CE3-CE 3.1Å; W68-M71 HydrophobicContact CE3-SD 3.69Å; W68-M71 HydrophobicContact CH2-SD 4.49Å; W68-M71 HydrophobicContact CZ3-CE 3.34Å; W68-M71 HydrophobicContact CZ3-SD 3.6Å; W68-M71 PolarHBondContact O-N 3.19Å; W68-M71 VanDerWaalsContact O-N 3.13Å; S69-M71 VanDerWaalsContact C-N 3.29Å; S69-M71 PolarHBondContact O-N 3.3Å; M71-V73 VanDerWaalsContact C-N 3.33Å; M71-V73 PolarHBondContact O-N 2.81Å; M71-S74 PolarHBondContact O-N 3.14Å; M71-S74 PolarHBondContact O-OG 3.01Å; M71-L75 VanDerWaalsContact O-CB 3.29Å; M71-L75 WeakPolarHBondContact O-CB 3.5Å; M71-L75 PolarHBondContact O-N 3.39Å; M71-L108 HydrophobicContact CE-CD2 3.26Å; M71-L108 HydrophobicContact CG-CD2 4.3Å; M71-L108 HydrophobicContact SD-CD2 3.46Å; M71-L108 WeakPolarHBondContact SD-CD2 3.44Å
72L90.3Very high87.5Confident2 Ų254.6 Ų54.61%0.0129%0.289CS..Hα-helixtrans-61-41.2178.5-69.7169.7000112.4M58 W68 S69 L75 I76 V218M58-L72 HydrophobicContact CE-CD1 3.61Å; W68-L72 PolarHBondContact O-N 3Å; S69-L72 PolarHBondContact O-N 3.36Å; L72-L75 PolarHBondContact O-N 3.34Å; L72-I76 PolarHBondContact O-N 3.16Å; L72-V218 HydrophobicContact CD2-CB 4.24Å; L72-V218 HydrophobicContact CD2-CG1 3.87Å
73V91.3Very high88.1Confident15 Ų1549.6 Ų49.69%0.09126%0.262CS..Hα-helixtrans-68.7-41.4177.5172.90000111.2I50 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.84Å; S69-V73 WeakPolarHBondContact O-CB 3.2Å; S69-V73 VanDerWaalsContact O-CG2 3.24Å; S69-V73 WeakPolarHBondContact O-CG2 3.23Å; S69-V73 PolarHBondContact O-N 3.09Å; M71-V73 VanDerWaalsContact C-N 3.33Å; M71-V73 PolarHBondContact O-N 2.81Å; V73-L75 VanDerWaalsContact C-N 3.29Å; V73-L75 PolarHBondContact O-N 3.18Å; V73-I76 VanDerWaalsContact O-CG2 3.3Å; V73-I76 WeakPolarHBondContact O-CG2 3.31Å; V73-I77 HydrophobicContact CG1-CD1 3.81Å; V73-I77 VanDerWaalsContact O-CD1 3.28Å; V73-I77 WeakPolarHBondContact O-CD1 3.14Å; V73-I77 WeakPolarHBondContact O-CG1 3.46Å; V73-I77 PolarHBondContact O-N 2.91Å
74S91.5Very high88.6Confident66 Ų6648.4 Ų48.446%0.46225%0.25SS..Hα-helixtrans-63.5-38.7175.970.10000111.8L70 M71 F78L70-S74 WeakPolarHBondContact O-CB 3.43Å; L70-S74 PolarHBondContact O-N 3.38Å; L70-S74 PolarHBondContact O-OG 3.41Å; M71-S74 PolarHBondContact O-N 3.14Å; M71-S74 PolarHBondContact O-OG 3.01Å; S74-F78 VanDerWaalsContact O-CB 3.31Å; S74-F78 WeakPolarHBondContact O-CB 3.21Å; S74-F78 PolarHBondContact O-N 3.22Å
75L90.8Very high89.1Confident17 Ų1744 Ų449%0.08923%0.233CC..Hα-helixtrans-66.1-47.7-179.7-172.588.2000112.2M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 VanDerWaalsContact O-CB 3.29Å; M71-L75 WeakPolarHBondContact O-CB 3.5Å; M71-L75 PolarHBondContact O-N 3.39Å; L72-L75 PolarHBondContact O-N 3.34Å; V73-L75 VanDerWaalsContact C-N 3.29Å; V73-L75 PolarHBondContact O-N 3.18Å; L75-I77 VanDerWaalsContact C-N 3.29Å; L75-I77 PolarHBondContact O-N 3.06Å; L75-F78 PolarHBondContact O-N 3.37Å; L75-I79 HydrophobicContact CD1-CD1 4.29Å; L75-I79 HydrophobicContact CD2-CD1 4.35Å; L75-I79 HydrophobicContact CG-CD1 3.88Å; L75-I79 WeakPolarHBondContact O-CG1 3.5Å; L75-I79 PolarHBondContact O-N 2.99Å; L75-L108 HydrophobicContact CD1-CD1 3.44Å; L75-L108 VanDerWaalsContact CD1-CD1 3.44Å; L75-L108 HydrophobicContact CD2-CD1 3.94Å; L75-L108 HydrophobicContact CG-CD1 4.35Å; L75-F214 HydrophobicContact CD1-CE1 4.36Å; L75-F214 HydrophobicContact CD2-CD1 3.76Å; L75-F214 HydrophobicContact CD2-CE1 3.69Å; L75-F214 HydrophobicContact CG-CE1 4.35Å; L75-T215 HydrophobicContact CB-CG2 4.23Å; L75-T215 HydrophobicContact CD2-CG2 3.46Å; L75-T215 VanDerWaalsContact CD2-CG2 3.46Å; L75-T215 HydrophobicContact CG-CG2 3.96Å
76I91.3Very high89.5Confident18 Ų1844.1 Ų44.19%0.09223%0.234CC..Hα-helixtrans-63.1-40.2-179.4-166172.4000110.9L72 V73 A80 Y212 T215L72-I76 PolarHBondContact O-N 3.16Å; V73-I76 VanDerWaalsContact O-CG2 3.3Å; V73-I76 WeakPolarHBondContact O-CG2 3.31Å; I76-A80 WeakPolarHBondContact O-CB 3.44Å; I76-A80 PolarHBondContact O-N 2.97Å; I76-Y212 HydrophobicContact CD1-CD2 4.18Å; I76-T215 VanDerWaalsContact CA-CG2 3.46Å; I76-T215 HydrophobicContact CB-CG2 3.49Å; I76-T215 VanDerWaalsContact CB-CG2 3.49Å; I76-T215 HydrophobicContact CG1-CG2 4Å
77I91.5Very high89.7Confident35 Ų3539.2 Ų39.218%0.17922%0.218CC..Hα-helixtrans-67.2-42.7178.3-63.1165.3000110.3I31 I50 V73 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.38Å; I31-I77 HydrophobicContact CG1-CG2 4.43Å; I50-I77 HydrophobicContact CD1-CD1 4Å; I50-I77 HydrophobicContact CG1-CD1 3.73Å; V73-I77 HydrophobicContact CG1-CD1 3.81Å; V73-I77 VanDerWaalsContact O-CD1 3.28Å; V73-I77 WeakPolarHBondContact O-CD1 3.14Å; V73-I77 WeakPolarHBondContact O-CG1 3.46Å; V73-I77 PolarHBondContact O-N 2.91Å; L75-I77 VanDerWaalsContact C-N 3.29Å; L75-I77 PolarHBondContact O-N 3.06Å; I77-T81 HydrophobicContact CG2-CG2 4.3Å; I77-T81 WeakPolarHBondContact O-CB 3.18Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.3Å; I77-T81 PolarHBondContact O-N 2.95Å; I77-T81 PolarHBondContact O-OG1 3.34Å
78F91.1Very high89.8Confident49 Ų4939.3 Ų39.322%0.21521%0.214CC..Hα-helixtrans-62.5-49.1178.5179.7-103.3000112.4I24 S74 L75 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.3Å; S74-F78 VanDerWaalsContact O-CB 3.31Å; S74-F78 WeakPolarHBondContact O-CB 3.21Å; S74-F78 PolarHBondContact O-N 3.22Å; L75-F78 PolarHBondContact O-N 3.37Å; F78-T81 PolarHBondContact O-OG1 3.19Å; F78-T81 VanDerWaalsContact O-OG1 3.09Å; F78-T82 HydrophobicContact CD2-CG2 4.3Å; F78-T82 HydrophobicContact CE1-CG2 4.21Å; F78-T82 HydrophobicContact CE2-CG2 3.9Å; F78-T82 HydrophobicContact CZ-CG2 3.86Å; F78-T82 WeakPolarHBondContact O-CB 3.49Å; F78-T82 WeakPolarHBondContact O-CG2 3.46Å; F78-T82 PolarHBondContact O-N 2.89Å; F78-T82 PolarHBondContact O-OG1 2.92Å; F78-M100 HydrophobicContact CE1-CE 3.86Å; F78-M100 HydrophobicContact CZ-CE 3.87Å; F78-M104 HydrophobicContact CD1-SD 3.95Å; F78-M104 HydrophobicContact CE1-SD 3.62Å
79I91.1Very high89.6Confident0 Ų042 Ų420%024%0.238CC..Hα-helixtrans-67.8-42.3-179.7-60168.9000110.6L75 T81 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 4.29Å; L75-I79 HydrophobicContact CD2-CD1 4.35Å; L75-I79 HydrophobicContact CG-CD1 3.88Å; L75-I79 WeakPolarHBondContact O-CG1 3.5Å; L75-I79 PolarHBondContact O-N 2.99Å; I79-T81 PolarHBondContact O-N 3.15Å; I79-T82 WeakPolarHBondContact CA-OG1 3.48Å; I79-T82 PolarHBondContact O-OG1 3.26Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.1Å; I79-N83 WeakPolarHBondContact O-CB 3.48Å; I79-N83 PolarHBondContact O-N 3.36Å; I79-N83 PolarHBondContact O-ND2 3.44Å; I79-L160 HydrophobicContact CG2-CD1 4.13Å; I79-L160 HydrophobicContact CG2-CD2 4.14Å; I79-A211 HydrophobicContact CB-CB 4.04Å; I79-A211 HydrophobicContact CG2-CB 3.76Å; I79-F214 HydrophobicContact CD1-CB 4.28Å; I79-F214 HydrophobicContact CD1-CD1 3.43Å; I79-F214 VanDerWaalsContact CD1-CD1 3.43Å; I79-F214 HydrophobicContact CD1-CD2 4.34Å; I79-F214 HydrophobicContact CD1-CE1 3.77Å; I79-F214 HydrophobicContact CD1-CG 3.77Å; I79-F214 HydrophobicContact CD1-CZ 4.34Å
80A90.5Very high89.3Confident30 Ų3052.4 Ų52.425%0.24828%0.275CS..Hα-helixtrans-63.5-43.7179.300000112I76 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.44Å; I76-A80 PolarHBondContact O-N 2.97Å; A80-L84 VanDerWaalsContact O-CB 3.24Å; A80-L84 WeakPolarHBondContact O-CB 3.35Å; A80-L84 PolarHBondContact O-N 3.08Å; A80-A211 HydrophobicContact CB-CB 3.91Å
81T91.1Very high89Confident31 Ų3147 Ų4719%0.1925%0.249CC..Hα-helixtrans-68.6-47.8179.151.90000111.6P27 I77 F78 I79 N83 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.44Å; I77-T81 HydrophobicContact CG2-CG2 4.3Å; I77-T81 WeakPolarHBondContact O-CB 3.18Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.3Å; I77-T81 PolarHBondContact O-N 2.95Å; I77-T81 PolarHBondContact O-OG1 3.34Å; F78-T81 PolarHBondContact O-OG1 3.19Å; F78-T81 VanDerWaalsContact O-OG1 3.09Å; I79-T81 PolarHBondContact O-N 3.15Å; T81-N83 VanDerWaalsContact C-N 3.33Å; T81-N83 PolarHBondContact O-N 2.96Å; T81-L84 PolarHBondContact O-N 3.07Å; T81-L85 WeakPolarHBondContact O-CB 3.39Å; T81-L85 WeakPolarHBondContact O-CD1 3.49Å; T81-L85 PolarHBondContact O-N 3.47Å
82T90.8Very high88.6Confident5 Ų545.7 Ų45.73%0.03124%0.243CC..Hα-helixtrans-58-43177.347.70000112.8P27 F78 I79 G86P27-T82 HydrophobicContact CB-CG2 4.24Å; P27-T82 HydrophobicContact CG-CG2 3.49Å; P27-T82 VanDerWaalsContact CG-CG2 3.49Å; F78-T82 HydrophobicContact CD2-CG2 4.3Å; F78-T82 HydrophobicContact CE1-CG2 4.21Å; F78-T82 HydrophobicContact CE2-CG2 3.9Å; F78-T82 HydrophobicContact CZ-CG2 3.86Å; F78-T82 WeakPolarHBondContact O-CB 3.49Å; F78-T82 WeakPolarHBondContact O-CG2 3.46Å; F78-T82 PolarHBondContact O-N 2.89Å; F78-T82 PolarHBondContact O-OG1 2.92Å; I79-T82 WeakPolarHBondContact CA-OG1 3.48Å; I79-T82 PolarHBondContact O-OG1 3.26Å; T82-G86 PolarHBondContact O-N 3.29Å; T82-G86 VanDerWaalsContact O-N 3.08Å
83N90.9Very high88.3Confident2 Ų245.8 Ų45.81%0.01124%0.243CC..Hα-helixtrans-68.1-42178.4-66.6-12.7000112.1I79 T81 G86 L87 T95 I164 A207I79-N83 WeakPolarHBondContact CG2-ND2 3.1Å; I79-N83 WeakPolarHBondContact O-CB 3.48Å; I79-N83 PolarHBondContact O-N 3.36Å; I79-N83 PolarHBondContact O-ND2 3.44Å; T81-N83 VanDerWaalsContact C-N 3.33Å; T81-N83 PolarHBondContact O-N 2.96Å; N83-G86 WeakPolarHBondContact O-CA 3.45Å; N83-G86 PolarHBondContact O-N 2.8Å; N83-G86 VanDerWaalsContact O-N 3.12Å; N83-L87 PolarHBondContact O-N 2.75Å; N83-T95 WeakPolarHBondContact OD1-CB 3.39Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.36Å; N83-T95 PolarHBondContact OD1-OG1 3.4Å; N83-I164 HydrophobicContact CB-CD1 4.29Å; N83-I164 VanDerWaalsContact CG-CD1 3.42Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.26Å; N83-A207 HydrophobicContact CB-CB 3.94Å; N83-A207 PolarHBondContact ND2-O 3.47Å
84L89.6Confident87.9Confident95 Ų9545.5 Ų45.550%0.49724%0.242SC..Hα-helixtrans-71.4-38.9-177-164.4142.2000112.1A80 T81 G86 L87A80-L84 VanDerWaalsContact O-CB 3.24Å; A80-L84 WeakPolarHBondContact O-CB 3.35Å; A80-L84 PolarHBondContact O-N 3.08Å; T81-L84 PolarHBondContact O-N 3.07Å; L84-G86 PolarHBondContact O-N 3.4Å; L84-L87 PolarHBondContact O-N 3.33Å
85L89.8Confident87.6Confident33 Ų3342.4 Ų42.417%0.17322%0.22CC..Hα-helixtrans-61.2-33.1169.2-89.584.5000111.7F26 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD2 3.3Å; F26-L85 HydrophobicContact CE1-CD2 3.51Å; L30-L85 HydrophobicContact CD1-CD1 3.5Å; L30-L85 HydrophobicContact CD1-CD2 3.77Å; L30-L85 HydrophobicContact CD1-CG 4.08Å; T81-L85 WeakPolarHBondContact O-CB 3.39Å; T81-L85 WeakPolarHBondContact O-CD1 3.49Å; T81-L85 PolarHBondContact O-N 3.47Å; L85-L87 VanDerWaalsContact C-N 3.26Å; L85-L87 PolarHBondContact O-N 3.09Å; L85-L88 VanDerWaalsContact O-CB 3.26Å; L85-L88 WeakPolarHBondContact O-CB 3.04Å; L85-L88 VanDerWaalsContact O-CG 3.31Å; L85-L88 WeakPolarHBondContact O-CG 3.36Å; L85-L88 PolarHBondContact O-N 2.95Å; L85-S91 PolarHBondContact O-OG 3.41Å
86G85.4Confident87.3Confident2 Ų242.1 Ų42.12%0.02122%0.219CC..Hα-helixtrans-59.8-31.4178.200000116.5T82 N83 L84 L88 S91 H168T82-G86 PolarHBondContact O-N 3.29Å; T82-G86 VanDerWaalsContact O-N 3.08Å; N83-G86 WeakPolarHBondContact O-CA 3.45Å; N83-G86 PolarHBondContact O-N 2.8Å; N83-G86 VanDerWaalsContact O-N 3.12Å; L84-G86 PolarHBondContact O-N 3.4Å; G86-L88 PolarHBondContact O-N 3.38Å; G86-S91 VanDerWaalsContact C-OG 3.27Å; G86-S91 WeakPolarHBondContact CA-OG 3.28Å; G86-S91 PolarHBondContact O-OG 3.48Å; G86-H168 PolarHBondContact O-CE1 3.32Å; G86-H168 PolarHBondContact O-NE2 3.29Å; G86-H168 VanDerWaalsContact O-NE2 3.1Å
87L86.3Confident87.2Confident38 Ų3844.4 Ų44.420%0.19923%0.229CC..THydrogen-bonded Turntrans-76.8-5.7179.8-61.4174.8000112.6N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 2.75Å; L84-L87 PolarHBondContact O-N 3.33Å; L85-L87 VanDerWaalsContact C-N 3.26Å; L85-L87 PolarHBondContact O-N 3.09Å; L87-M171 HydrophobicContact CD2-CE 3.96Å; L87-E203 HydrophobicContact CD1-CG 4.4Å; L87-E203 HydrophobicContact CD2-CB 4.21Å; L87-E203 HydrophobicContact CD2-CG 3.42Å; L87-E203 VanDerWaalsContact CD2-CG 3.42Å; L87-I204 HydrophobicContact CD1-CB 4.23Å; L87-I204 HydrophobicContact CD1-CG1 3.65Å; L87-A207 HydrophobicContact CD1-CB 4.04Å
88L87.3Confident87Confident101 Ų10146.1 Ų46.153%0.52924%0.238SC..SBendtrans-68.1144175.4-65.3173.2000110.7L85 G86 Y90 S91L85-L88 VanDerWaalsContact O-CB 3.26Å; L85-L88 WeakPolarHBondContact O-CB 3.04Å; L85-L88 VanDerWaalsContact O-CG 3.31Å; L85-L88 WeakPolarHBondContact O-CG 3.36Å; L85-L88 PolarHBondContact O-N 2.95Å; G86-L88 PolarHBondContact O-N 3.38Å; L88-Y90 PolarHBondContact O-N 2.9Å; L88-S91 WeakPolarHBondContact O-CB 3.2Å; L88-S91 PolarHBondContact O-N 3.33Å; L88-S91 VanDerWaalsContact O-N 3.16Å; L88-S91 PolarHBondContact O-OG 2.88Å
89P81.9Confident86.8Confident110 Ų11047.8 Ų47.871%0.71426%0.256SS*.THydrogen-bonded Turntrans-59.2135.3-179.325.5-34.3000110.8S91P89-S91 PolarHBondContact O-N 3.13Å; P89-S91 VanDerWaalsContact O-N 3.14Å
90Y81.8Confident86.6Confident248 Ų24849.8 Ų49.897%0.97327%0.266SS*.THydrogen-bonded Turntrans59.515.3-178.9-54.2-74.2000115.8L88L88-Y90 PolarHBondContact O-N 2.9Å
91S84.3Confident86.5Confident36 Ų3648.4 Ų48.425%0.25225%0.254SS..  trans-82.3142.3172.672.70000111.1L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 3.41Å; G86-S91 VanDerWaalsContact C-OG 3.27Å; G86-S91 WeakPolarHBondContact CA-OG 3.28Å; G86-S91 PolarHBondContact O-OG 3.48Å; L88-S91 WeakPolarHBondContact O-CB 3.2Å; L88-S91 PolarHBondContact O-N 3.33Å; L88-S91 VanDerWaalsContact O-N 3.16Å; L88-S91 PolarHBondContact O-OG 2.88Å; P89-S91 PolarHBondContact O-N 3.13Å; P89-S91 VanDerWaalsContact O-N 3.14Å
92F82.3Confident86.3Confident27 Ų2748.8 Ų48.812%0.11826%0.255CS..  trans-90.7123.5171.6171.3-94.1000109.3S8 A11 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.27Å; A11-F92 HydrophobicContact CB-CZ 4.45Å; P12-F92 HydrophobicContact CG-CB 4.41Å; P12-F92 HydrophobicContact CG-CD1 4.17Å; P12-F92 HydrophobicContact CG-CG 4.12Å; A20-F92 HydrophobicContact CB-CE1 4.42Å; I23-F92 HydrophobicContact CD1-CB 4.05Å; I23-F92 HydrophobicContact CD1-CD1 3.85Å; I23-F92 HydrophobicContact CD1-CG 4.33Å; I23-F92 HydrophobicContact CG2-CD1 4.5Å; F92-P94 HydrophobicContact CE1-CB 4.44Å; F92-P94 WeakPolarHBondContact O-CD 3.39Å; F92-Q97 HydrophobicContact CZ-CG 4.17Å
93T83.7Confident86.2Confident3 Ų351.7 Ų51.72%0.01828%0.279CS..  trans-91.9110.7178.228.10000111.2T95 T96 I164T93-T95 PolarHBondContact O-N 3.28Å; T93-T95 VanDerWaalsContact O-N 3.17Å; T93-T96 PolarHBondContact O-N 3.45Å; T93-T96 PolarHBondContact O-OG1 3.35Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.39Å; T93-I164 HydrophobicContact CG2-CG2 4.31Å
94P82.4Confident85.9Confident10 Ų1052.8 Ų52.87%0.06529%0.285CS..G310 helixtrans-63.7-23.4176.526.2-33.5000112.6I24 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.28Å; I24-P94 HydrophobicContact CG1-CB 3.73Å; I24-P94 HydrophobicContact CG1-CG 4.06Å; F92-P94 HydrophobicContact CE1-CB 4.44Å; F92-P94 WeakPolarHBondContact O-CD 3.39Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.04Å; P94-Q97 PolarHBondContact O-N 2.93Å; P94-M100 WeakPolarHBondContact O-CB 3.46Å
95T85.4Confident85.8Confident1 Ų148.3 Ų48.31%0.00626%0.262CS..G310 helixtrans-75.8-7.8179.351.80000114.4N83 T93 Q97 N101 I164N83-T95 WeakPolarHBondContact OD1-CB 3.39Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.36Å; N83-T95 PolarHBondContact OD1-OG1 3.4Å; T93-T95 PolarHBondContact O-N 3.28Å; T93-T95 VanDerWaalsContact O-N 3.17Å; T95-Q97 VanDerWaalsContact C-N 3.33Å; T95-N101 PolarHBondContact O-ND2 2.88Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.46Å
96T85.8Confident85.7Confident10 Ų1050.7 Ų50.76%0.06127%0.273CS..G310 helixtrans-74.1-27.5169.856.70000112.3F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.85Å; F9-T96 HydrophobicContact CE1-CG2 3.72Å; T93-T96 PolarHBondContact O-N 3.45Å; T93-T96 PolarHBondContact O-OG1 3.35Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.39Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.04Å; T96-L98 PolarHBondContact O-N 3.11Å; T96-T161 WeakPolarHBondContact O-CG2 3.45Å; T96-I164 HydrophobicContact CG2-CB 4.39Å; T96-I164 HydrophobicContact CG2-CG2 3.66Å; T96-T165 HydrophobicContact CG2-CG2 3.75Å
97Q88.8Confident85.9Confident67 Ų6754.4 Ų54.431%0.31330%0.297SS..SBendtrans-77.5119.9178.7-65.8-63.4-30.900109.8F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 3.47Å; F92-Q97 HydrophobicContact CZ-CG 4.17Å; P94-Q97 PolarHBondContact O-N 2.93Å; T95-Q97 VanDerWaalsContact C-N 3.33Å; Q97-S99 PolarHBondContact O-N 3.29Å; Q97-M100 PolarHBondContact O-N 3.15Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; Q97-N101 PolarHBondContact O-N 3.31Å
98L86.5Confident86Confident71 Ų7153.5 Ų53.537%0.37229%0.292SS..Hα-helixtrans-57.5-33.4178.9-17764.1000112.3T96 M100 N101 L102 A157 V158 T161T96-L98 PolarHBondContact O-N 3.11Å; L98-M100 VanDerWaalsContact C-N 3.33Å; L98-M100 PolarHBondContact O-N 3.22Å; L98-N101 PolarHBondContact O-N 3.05Å; L98-L102 VanDerWaalsContact O-CB 3.23Å; L98-L102 WeakPolarHBondContact O-CB 3.41Å; L98-L102 PolarHBondContact O-N 3.14Å; L98-A157 HydrophobicContact CD1-CB 4.39Å; L98-V158 HydrophobicContact CD1-CG2 3.88Å; L98-T161 VanDerWaalsContact CA-CG2 3.45Å; L98-T161 HydrophobicContact CB-CG2 4.04Å; L98-T161 HydrophobicContact CD1-CG2 3.99Å
99S87.6Confident85.9Confident84 Ų8450.5 Ų50.559%0.58727%0.274SS*.Hα-helixtrans-56.3-44.1176.354.70000112.7Q97 A103Q97-S99 PolarHBondContact O-N 3.29Å; S99-A103 WeakPolarHBondContact O-CB 3.46Å; S99-A103 PolarHBondContact O-N 3.33Å
100M87.3Confident86.1Confident42 Ų4246.5 Ų46.521%0.20725%0.251CS..Hα-helixtrans-66.9-46.3-179.5-17660.2-170.100111.3I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-SD 4.37Å; I24-M100 HydrophobicContact CG2-CE 4.45Å; F78-M100 HydrophobicContact CE1-CE 3.86Å; F78-M100 HydrophobicContact CZ-CE 3.87Å; P94-M100 WeakPolarHBondContact O-CB 3.46Å; Q97-M100 PolarHBondContact O-N 3.15Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; L98-M100 VanDerWaalsContact C-N 3.33Å; L98-M100 PolarHBondContact O-N 3.22Å; M100-L102 VanDerWaalsContact C-N 3.35Å; M100-L102 PolarHBondContact O-N 3.42Å; M100-A103 PolarHBondContact O-N 3.31Å; M100-M104 HydrophobicContact CE-CE 4.26Å; M100-M104 HydrophobicContact CE-CG 4.25Å; M100-M104 HydrophobicContact CE-SD 4Å; M100-M104 HydrophobicContact CG-CE 4.07Å; M100-M104 WeakPolarHBondContact O-CG 3.32Å; M100-M104 PolarHBondContact O-N 2.84Å
101N88.1Confident86.2Confident0 Ų035.8 Ų35.80%022%0.215CC..Hα-helixtrans-67.8-37.7-178.7-66.7-7.8000111.9T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 2.88Å; Q97-N101 PolarHBondContact O-N 3.31Å; L98-N101 PolarHBondContact O-N 3.05Å; N101-M104 PolarHBondContact O-N 2.95Å; N101-M104 WeakPolarHBondContact OD1-CE 3.37Å; N101-A105 VanDerWaalsContact O-CB 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.47Å; N101-A105 PolarHBondContact O-N 3.26Å; N101-A157 HydrophobicContact CB-CB 3.93Å; N101-A157 PolarHBondContact ND2-O 3.37Å; N101-L160 HydrophobicContact CB-CD2 4.4Å; N101-L160 VanDerWaalsContact CG-CD2 3.49Å; N101-L160 WeakPolarHBondContact ND2-CB 3.09Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.29Å; N101-L160 VanDerWaalsContact ND2-CG 3.32Å; N101-L160 WeakPolarHBondContact ND2-CG 3.44Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.17Å; N101-T161 HydrophobicContact CB-CG2 4.27Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.11Å; N101-T161 PolarHBondContact ND2-N 3.37Å
102L86.1Confident86.2Confident40 Ų4034.1 Ų34.121%0.20920%0.204CC..Hα-helixtrans-69.7-38.6176.9-160.671.2000111.4L98 M100 M104 A105 I106 M154 A157L98-L102 VanDerWaalsContact O-CB 3.23Å; L98-L102 WeakPolarHBondContact O-CB 3.41Å; L98-L102 PolarHBondContact O-N 3.14Å; M100-L102 VanDerWaalsContact C-N 3.35Å; M100-L102 PolarHBondContact O-N 3.42Å; L102-M104 VanDerWaalsContact C-N 3.25Å; L102-M104 PolarHBondContact O-N 3.48Å; L102-A105 PolarHBondContact O-N 3.41Å; L102-I106 HydrophobicContact CD1-CD1 3.93Å; L102-I106 HydrophobicContact CD1-CG1 4.06Å; L102-I106 HydrophobicContact CD2-CD1 3.94Å; L102-I106 HydrophobicContact CG-CD1 3.53Å; L102-I106 HydrophobicContact CG-CG1 3.99Å; L102-I106 WeakPolarHBondContact O-CG1 3.4Å; L102-I106 PolarHBondContact O-N 3.24Å; L102-M154 HydrophobicContact CD1-CE 4.12Å; L102-M154 HydrophobicContact CD1-CG 4.33Å; L102-M154 HydrophobicContact CD2-CE 4.14Å; L102-A157 HydrophobicContact CB-CB 4.45Å; L102-A157 HydrophobicContact CD1-CB 4.03Å
103A88.7Confident86.2Confident65 Ų6533.6 Ų33.654%0.53720%0.203SC..Hα-helixtrans-63.3-29.6173.700000112.9S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.46Å; S99-A103 PolarHBondContact O-N 3.33Å; M100-A103 PolarHBondContact O-N 3.31Å; A103-P107 WeakPolarHBondContact O-CD 3.43Å; A103-P107 WeakPolarHBondContact O-CG 3.32Å
104M85.9Confident86.2Confident25 Ų2538.1 Ų38.112%0.12323%0.226CC..Hα-helixtrans-78.8-46170.8-69-175.2-7200112.1F78 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.95Å; F78-M104 HydrophobicContact CE1-SD 3.62Å; M100-M104 HydrophobicContact CE-CE 4.26Å; M100-M104 HydrophobicContact CE-CG 4.25Å; M100-M104 HydrophobicContact CE-SD 4Å; M100-M104 HydrophobicContact CG-CE 4.07Å; M100-M104 WeakPolarHBondContact O-CG 3.32Å; M100-M104 PolarHBondContact O-N 2.84Å; N101-M104 PolarHBondContact O-N 2.95Å; N101-M104 WeakPolarHBondContact OD1-CE 3.37Å; L102-M104 VanDerWaalsContact C-N 3.25Å; L102-M104 PolarHBondContact O-N 3.48Å; M104-L108 WeakPolarHBondContact O-CD1 3.36Å; M104-L108 WeakPolarHBondContact O-CG 3.41Å
105A86.9Confident86.1Confident2 Ų239.9 Ų39.92%0.01723%0.234CC..Hα-helixtrans-70.4-44.5-171.500000113.6N101 L102 L108 W109 L156 A157 F214N101-A105 VanDerWaalsContact O-CB 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.47Å; N101-A105 PolarHBondContact O-N 3.26Å; L102-A105 PolarHBondContact O-N 3.41Å; A105-L108 PolarHBondContact O-N 3.38Å; A105-W109 VanDerWaalsContact O-CB 3.32Å; A105-W109 WeakPolarHBondContact O-CB 3.47Å; A105-W109 PolarHBondContact O-N 3.12Å; A105-L156 HydrophobicContact CB-CD2 4.4Å; A105-A157 HydrophobicContact CB-CB 4.21Å; A105-F214 HydrophobicContact CB-CE2 4.42Å; A105-F214 HydrophobicContact CB-CZ 4.19Å
106I87.9Confident85.6Confident82 Ų8239.9 Ų39.942%0.42123%0.234SC..Hα-helixtrans-62.2-50.3-175.1-66.5176.3000111.9L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.93Å; L102-I106 HydrophobicContact CD1-CG1 4.06Å; L102-I106 HydrophobicContact CD2-CD1 3.94Å; L102-I106 HydrophobicContact CG-CD1 3.53Å; L102-I106 HydrophobicContact CG-CG1 3.99Å; L102-I106 WeakPolarHBondContact O-CG1 3.4Å; L102-I106 PolarHBondContact O-N 3.24Å; I106-L108 PolarHBondContact O-N 3.49Å; I106-W109 PolarHBondContact O-N 3.46Å; I106-A110 WeakPolarHBondContact O-CB 3.38Å; I106-A110 PolarHBondContact O-N 3.49Å
107P89.3Confident85.2Confident80 Ų8043.2 Ų43.252%0.51925%0.248SC..Hα-helixtrans-64.8-37.5-179.1-23.936.3000113.2A103 G111A103-P107 WeakPolarHBondContact O-CD 3.43Å; A103-P107 WeakPolarHBondContact O-CG 3.32Å; P107-G111 PolarHBondContact O-N 2.93Å
108L87.5Confident84.6Confident19 Ų1950.4 Ų50.410%0.09927%0.272CS..Hα-helixtrans-65.2-46.9178.4-70.7168.3000111.5M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.26Å; M71-L108 HydrophobicContact CG-CD2 4.3Å; M71-L108 HydrophobicContact SD-CD2 3.46Å; M71-L108 WeakPolarHBondContact SD-CD2 3.44Å; L75-L108 HydrophobicContact CD1-CD1 3.44Å; L75-L108 VanDerWaalsContact CD1-CD1 3.44Å; L75-L108 HydrophobicContact CD2-CD1 3.94Å; L75-L108 HydrophobicContact CG-CD1 4.35Å; M104-L108 WeakPolarHBondContact O-CD1 3.36Å; M104-L108 WeakPolarHBondContact O-CG 3.41Å; A105-L108 PolarHBondContact O-N 3.38Å; I106-L108 PolarHBondContact O-N 3.49Å; L108-G111 PolarHBondContact O-N 2.96Å; L108-A112 PolarHBondContact O-N 3.4Å; L108-A112 VanDerWaalsContact O-N 3.1Å; L108-F214 HydrophobicContact CD1-CE1 4.11Å; L108-V218 HydrophobicContact CB-CG1 4.38Å
109W86Confident83.8Confident39 Ų3949.2 Ų49.215%0.14827%0.27CS..Hα-helixtrans-64.6-47.3176.3172.290000111.4A105 I106 G111 A112 V113 L149 L150 P153A105-W109 VanDerWaalsContact O-CB 3.32Å; A105-W109 WeakPolarHBondContact O-CB 3.47Å; A105-W109 PolarHBondContact O-N 3.12Å; I106-W109 PolarHBondContact O-N 3.46Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 2.9Å; W109-A112 PolarHBondContact O-N 2.96Å; W109-A112 VanDerWaalsContact O-N 3.14Å; W109-V113 HydrophobicContact CD2-CG2 4.07Å; W109-V113 HydrophobicContact CG-CG2 4.5Å; W109-V113 HydrophobicContact CH2-CG2 4.4Å; W109-V113 HydrophobicContact CZ2-CG2 3.89Å; W109-V113 WeakPolarHBondContact O-CG2 3.25Å; W109-V113 PolarHBondContact O-N 2.85Å; W109-L149 HydrophobicContact CH2-CD2 4.12Å; W109-L149 HydrophobicContact CZ2-CD2 3.45Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.45Å; W109-L149 HydrophobicContact CZ2-CG 3.91Å; W109-L149 VanDerWaalsContact CZ2-O 3.26Å; W109-L149 WeakPolarHBondContact CZ2-O 3.29Å; W109-L149 PolarHBondContact NE1-O 3.14Å; W109-L150 HydrophobicContact CH2-CD2 3.78Å; W109-L150 HydrophobicContact CZ2-CD2 4.31Å; W109-P153 HydrophobicContact CB-CB 3.85Å; W109-P153 HydrophobicContact CB-CG 4.37Å; W109-P153 HydrophobicContact CD2-CB 4.24Å; W109-P153 HydrophobicContact CD2-CG 3.77Å; W109-P153 HydrophobicContact CE3-CG 4.27Å; W109-P153 HydrophobicContact CG-CB 3.79Å; W109-P153 HydrophobicContact CG-CG 3.8Å
110A85.2Confident83Confident26 Ų2649.6 Ų49.622%0.21526%0.261CS..Hα-helixtrans-60.4-41178.800000110.9I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.38Å; I106-A110 PolarHBondContact O-N 3.49Å; A110-V113 PolarHBondContact O-N 2.68Å; A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.39Å; A110-I114 WeakPolarHBondContact O-CD1 3.44Å; A110-I114 WeakPolarHBondContact O-CG1 3.33Å; A110-I114 PolarHBondContact O-N 3.18Å
111G85.1Confident81.9Confident22 Ų2252.8 Ų52.823%0.22728%0.277CS..Hα-helixtrans-59.4-45.6174.500000113P107 L108 W109 M115P107-G111 PolarHBondContact O-N 2.93Å; L108-G111 PolarHBondContact O-N 2.96Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 2.9Å; G111-M115 VanDerWaalsContact O-CB 3.32Å; G111-M115 WeakPolarHBondContact O-CB 3.44Å; G111-M115 PolarHBondContact O-N 2.99Å
112A83.1Confident80.7Confident2 Ų261.7 Ų61.72%0.01732%0.316CS..Hα-helixtrans-63.3-46177.200000112L108 W109 M115 G116 L222L108-A112 PolarHBondContact O-N 3.4Å; L108-A112 VanDerWaalsContact O-N 3.1Å; W109-A112 PolarHBondContact O-N 2.96Å; W109-A112 VanDerWaalsContact O-N 3.14Å; A112-M115 PolarHBondContact O-N 3.04Å; A112-G116 PolarHBondContact O-N 3.19Å; A112-L222 HydrophobicContact CB-CD1 4.4Å
113V82.7Confident79.7Confident15 Ų1564.8 Ų64.89%0.09133%0.333CS..Hα-helixtrans-64.9-46.1179.2172.50000111.4W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.07Å; W109-V113 HydrophobicContact CG-CG2 4.5Å; W109-V113 HydrophobicContact CH2-CG2 4.4Å; W109-V113 HydrophobicContact CZ2-CG2 3.89Å; W109-V113 WeakPolarHBondContact O-CG2 3.25Å; W109-V113 PolarHBondContact O-N 2.85Å; A110-V113 PolarHBondContact O-N 2.68Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.14Å; V113-G116 PolarHBondContact O-N 2.95Å; V113-G116 VanDerWaalsContact O-N 3.14Å; V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.35Å; V113-F117 WeakPolarHBondContact O-CD2 3.4Å; V113-F117 PolarHBondContact O-N 3.28Å
114I83.8Confident78.5Confident98 Ų9862.5 Ų62.550%0.50331%0.314SS..Hα-helixtrans-61.4-39.4176.8-68.4163.8000110.6A110 G116 F117 R118A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.39Å; A110-I114 WeakPolarHBondContact O-CD1 3.44Å; A110-I114 WeakPolarHBondContact O-CG1 3.33Å; A110-I114 PolarHBondContact O-N 3.18Å; I114-G116 VanDerWaalsContact C-N 3.34Å; I114-F117 PolarHBondContact O-N 3.29Å; I114-R118 HydrophobicContact CG2-CG 4.42Å; I114-R118 WeakPolarHBondContact O-CB 3.33Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.03Å; I114-R118 PolarHBondContact O-N 3.42Å
115M80.4Confident77.4Confident48 Ų4865.8 Ų65.824%0.23633%0.331CS..Hα-helixtrans-65.8-37.2176.3-170.3169.2-177.300112.2W68 G111 A112 V113 R118 S119W68-M115 HydrophobicContact CZ2-SD 3.93Å; W68-M115 PolarHBondContact NE1-SD 3.01Å; G111-M115 VanDerWaalsContact O-CB 3.32Å; G111-M115 WeakPolarHBondContact O-CB 3.44Å; G111-M115 PolarHBondContact O-N 2.99Å; A112-M115 PolarHBondContact O-N 3.04Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.14Å; M115-R118 PolarHBondContact O-N 3.37Å; M115-S119 WeakPolarHBondContact O-CB 3.31Å; M115-S119 PolarHBondContact O-N 3.17Å; M115-S119 PolarHBondContact O-OG 3.21Å; M115-S119 VanDerWaalsContact O-OG 3.12Å
116G75.8Confident76.2Confident1 Ų168.3 Ų68.31%0.0135%0.352CS..Hα-helixtrans-61.9-50.7172.800000112.9A112 V113 I114 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 3.19Å; V113-G116 PolarHBondContact O-N 2.95Å; V113-G116 VanDerWaalsContact O-N 3.14Å; I114-G116 VanDerWaalsContact C-N 3.34Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 3.35Å; G116-S119 PolarHBondContact O-N 3.14Å; G116-S119 PolarHBondContact O-OG 3.33Å; G116-K120 PolarHBondContact O-N 3.32Å; G116-N225 VanDerWaalsContact CA-O 3.22Å; G116-N225 WeakPolarHBondContact CA-O 3.27Å
117F77.5Confident75.1Confident80 Ų8069.7 Ų69.735%0.35136%0.357SS..Hα-helixtrans-59.7-40.6175.4-77.1-63.5000112.1V113 I114 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.35Å; V113-F117 WeakPolarHBondContact O-CD2 3.4Å; V113-F117 PolarHBondContact O-N 3.28Å; I114-F117 PolarHBondContact O-N 3.29Å; F117-I121 WeakPolarHBondContact O-CG1 2.98Å; F117-A124 HydrophobicContact CD1-CB 4.26Å; F117-A124 HydrophobicContact CE1-CB 4.36Å; F117-L125 HydrophobicContact CD1-CD1 4.18Å; F117-L125 HydrophobicContact CE1-CD1 3.81Å; F117-F128 HydrophobicContact CZ-CE2 4.48Å
118R76.3Confident73.8Confident217 Ų21767.7 Ų67.782%0.81934%0.34SS*.Hα-helixtrans-70-34.5179.1-73.6-178.769.8-167.32113.6I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.42Å; I114-R118 WeakPolarHBondContact O-CB 3.33Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.03Å; I114-R118 PolarHBondContact O-N 3.42Å; M115-R118 PolarHBondContact O-N 3.37Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 3.35Å
119S68.8Low72.7Confident47 Ų4769.6 Ų69.633%0.32935%0.35SS..Hα-helixtrans-88.1-39.4-172.972.50000113.4M115 G116 N225M115-S119 WeakPolarHBondContact O-CB 3.31Å; M115-S119 PolarHBondContact O-N 3.17Å; M115-S119 PolarHBondContact O-OG 3.21Å; M115-S119 VanDerWaalsContact O-OG 3.12Å; G116-S119 PolarHBondContact O-N 3.14Å; G116-S119 PolarHBondContact O-OG 3.33Å; S119-N225 PolarHBondContact OG-O 3.37Å
120K70.1Confident71.5Confident92 Ų9271.1 Ų71.140%0.437%0.365SS..  trans-146.971.7-176.5-67.3175.3-178.5158.80111.5G116 K122 N123 A124 T226G116-K120 PolarHBondContact O-N 3.32Å; K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 2.92Å; K120-N123 HydrophobicContact CB-CB 3.91Å; K120-N123 HydrophobicContact CD-CB 4.26Å; K120-N123 PolarHBondContact O-N 2.69Å; K120-N123 VanDerWaalsContact O-N 3.11Å; K120-A124 WeakPolarHBondContact O-CB 3.41Å; K120-A124 PolarHBondContact O-N 3.18Å; K120-T226 WeakPolarHBondContact CE-O 3.3Å; K120-T226 PolarHBondContact NZ-O 3.29Å; K120-T226 PolarHBondContact NZ-OXT 3.17Å
121I64.2Low70.3Confident108 Ų10879.6 Ų79.655%0.55440%0.4SS*.Hα-helixtrans-47.6-49177.3-60.2171000111.7F117 N123 L125F117-I121 WeakPolarHBondContact O-CG1 2.98Å; I121-N123 PolarHBondContact O-N 2.77Å; I121-L125 HydrophobicContact CG2-CD1 3.89Å; I121-L125 WeakPolarHBondContact O-CD1 3.47Å; I121-L125 PolarHBondContact O-N 3.01Å
122K62.8Low69.3Low188 Ų18882.4 Ų82.482%0.81743%0.429SS*.Hα-helixtrans-66.2-37.4-176.1-64.4-175.4-179.7-1770113.3K120 A126K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 2.92Å; K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.36Å; K122-A126 PolarHBondContact O-N 3.09Å
123N66.3Low68.7Low104 Ų10483.9 Ų83.956%0.55644%0.438SS*.Hα-helixtrans-79.6-35.8-177.9-143.562.2000111.3K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.91Å; K120-N123 HydrophobicContact CD-CB 4.26Å; K120-N123 PolarHBondContact O-N 2.69Å; K120-N123 VanDerWaalsContact O-N 3.11Å; I121-N123 PolarHBondContact O-N 2.77Å; N123-A126 PolarHBondContact O-N 2.94Å; N123-H127 PolarHBondContact O-N 3.27Å; N123-H127 VanDerWaalsContact O-N 3.09Å
124A62.9Low68.2Low17 Ų1786.8 Ų86.814%0.1446%0.458CS..Hα-helixtrans-63.1-42.9172.800000111.5F117 K120 H127F117-A124 HydrophobicContact CD1-CB 4.26Å; F117-A124 HydrophobicContact CE1-CB 4.36Å; K120-A124 WeakPolarHBondContact O-CB 3.41Å; K120-A124 PolarHBondContact O-N 3.18Å; A124-H127 PolarHBondContact O-N 3.26Å
125L62.9Low67.8Low94 Ų9487.8 Ų87.849%0.49247%0.468SS..Hα-helixtrans-70.2-32.2174.5-88.680000112.7F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.18Å; F117-L125 HydrophobicContact CE1-CD1 3.81Å; I121-L125 HydrophobicContact CG2-CD1 3.89Å; I121-L125 WeakPolarHBondContact O-CD1 3.47Å; I121-L125 PolarHBondContact O-N 3.01Å; L125-H127 VanDerWaalsContact C-N 3.29Å; L125-H127 PolarHBondContact O-N 3.5Å; L125-F128 PolarHBondContact O-N 2.99Å
126A61.7Low67.9Low55 Ų5590.5 Ų90.546%0.45549%0.489SS..Hα-helixtrans-68.3-27.3176.600000112.8K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.36Å; K122-A126 PolarHBondContact O-N 3.09Å; N123-A126 PolarHBondContact O-N 2.94Å; A126-F128 PolarHBondContact O-N 3.36Å; A126-L129 PolarHBondContact O-N 3.4Å; A126-L129 VanDerWaalsContact O-N 3.08Å
127H64.6Low68.1Low112 Ų11295.5 Ų95.552%0.51952%0.515SS..THydrogen-bonded Turntrans-65.7-21.9175.4-161.7-63.7000112.8N123 A124 L125 L129N123-H127 PolarHBondContact O-N 3.27Å; N123-H127 VanDerWaalsContact O-N 3.09Å; A124-H127 PolarHBondContact O-N 3.26Å; L125-H127 VanDerWaalsContact C-N 3.29Å; L125-H127 PolarHBondContact O-N 3.5Å; H127-L129 PolarHBondContact O-N 2.9Å
128F63.1Low68.1Low37 Ų3794.1 Ų94.116%0.16251%0.511CS..THydrogen-bonded Turntrans-68.1-12.3173.3-68.2-56.2000113.4F117 L125 A126 L141 E145 T146 L149F117-F128 HydrophobicContact CZ-CE2 4.48Å; L125-F128 PolarHBondContact O-N 2.99Å; A126-F128 PolarHBondContact O-N 3.36Å; F128-L141 WeakPolarHBondContact O-CD2 3.38Å; F128-E145 HydrophobicContact CD1-CB 4.24Å; F128-E145 HydrophobicContact CD1-CG 3.83Å; F128-T146 HydrophobicContact CD1-CG2 4.28Å; F128-T146 HydrophobicContact CE1-CG2 4.06Å; F128-L149 HydrophobicContact CE1-CD1 4.43Å
129L62.8Low68.3Low59 Ų5988 Ų8831%0.30950%0.499SS..SBendtrans-131.6107.3-179.1-139.878000111.7A126 H127 Q131 I138 L141 V142A126-L129 PolarHBondContact O-N 3.4Å; A126-L129 VanDerWaalsContact O-N 3.08Å; H127-L129 PolarHBondContact O-N 2.9Å; L129-Q131 PolarHBondContact O-N 3.32Å; L129-I138 HydrophobicContact CD1-CB 4.44Å; L129-I138 HydrophobicContact CD1-CG2 3.76Å; L129-I138 HydrophobicContact CD2-CD1 4.21Å; L129-I138 HydrophobicContact CD2-CG1 4.26Å; L129-I138 HydrophobicContact CD2-CG2 4.13Å; L129-L141 HydrophobicContact CD1-CD2 4.31Å; L129-V142 HydrophobicContact CD1-CG2 3.55Å
130P60.9Low69Low71 Ų7191.2 Ų91.246%0.46151%0.51SS..  trans-62.8137.8171.521.8-24.6000109.8G132 T133 L141P130-G132 PolarHBondContact O-N 3.45Å; P130-T133 HydrophobicContact CG-CG2 3.77Å; P130-T133 WeakPolarHBondContact O-CG2 3.34Å; P130-L141 HydrophobicContact CG-CD1 3.97Å; P130-L141 HydrophobicContact CG-CD2 4.09Å
131Q60.4Low69.7Low204 Ų20489 Ų8995%0.95350%0.503SS*.THydrogen-bonded Turntrans-65.2128.9-177.4-62.8-165.4-2.300110.4L129L129-Q131 PolarHBondContact O-N 3.32Å
132G63.3Low70.5Confident82 Ų8286.3 Ų86.385%0.84549%0.491SS*.THydrogen-bonded Turntrans101.710.2176.500000116.1P130P130-G132 PolarHBondContact O-N 3.45Å
133T70.6Confident71.6Confident33 Ų3381.7 Ų81.720%0.20247%0.474CS..  trans-72.5134175.954.10000112.2P130 L141P130-T133 HydrophobicContact CG-CG2 3.77Å; P130-T133 WeakPolarHBondContact O-CG2 3.34Å; T133-L141 HydrophobicContact CG2-CD1 3.93Å
134P72.9Confident72.5Confident76 Ų7681.1 Ų81.149%0.49447%0.471SS..  trans-65.4141.5177.128.9-35.1000111P136 L137P134-P136 VanDerWaalsContact C-N 3.31Å; P134-P136 VanDerWaalsContact O-CD 3.31Å; P134-P136 WeakPolarHBondContact O-CD 3.12Å; P134-P136 VanDerWaalsContact O-N 3.08Å; P134-L137 HydrophobicContact CG-CB 4.49Å; P134-L137 HydrophobicContact CG-CD1 3.76Å; P134-L137 HydrophobicContact CG-CG 4.27Å; P134-L137 PolarHBondContact O-N 3.02Å; P134-L137 VanDerWaalsContact O-N 3.08Å
135T75.7Confident73.5Confident119 Ų11983.1 Ų83.173%0.7348%0.477SS*.THydrogen-bonded Turntrans-51.1-30-171.651.30000117I138T135-I138 HydrophobicContact CG2-CD1 4.49Å
136P82.3Confident74.3Confident104 Ų10481.2 Ų81.268%0.67547%0.469SS*.THydrogen-bonded Turntrans-75.3-27179.1-13.128.8000114P134 P139P134-P136 VanDerWaalsContact C-N 3.31Å; P134-P136 VanDerWaalsContact O-CD 3.31Å; P134-P136 WeakPolarHBondContact O-CD 3.12Å; P134-P136 VanDerWaalsContact O-N 3.08Å; P136-P139 WeakPolarHBondContact O-CD 3.3Å
137L79.3Confident75.5Confident106 Ų10682.5 Ų82.556%0.55547%0.468SS*.THydrogen-bonded Turntrans-88.8-11-173.4-65.8175.7000113.2P134 M140 L141P134-L137 HydrophobicContact CG-CB 4.49Å; P134-L137 HydrophobicContact CG-CD1 3.76Å; P134-L137 HydrophobicContact CG-CG 4.27Å; P134-L137 PolarHBondContact O-N 3.02Å; P134-L137 VanDerWaalsContact O-N 3.08Å; L137-M140 PolarHBondContact O-N 2.95Å; L137-L141 PolarHBondContact O-N 2.96Å; L137-L141 VanDerWaalsContact O-N 3.09Å
138I79.3Confident76.4Confident52 Ų5279.7 Ų79.727%0.26746%0.46SS..Hα-helixtrans-53.9-49.6-177.2-67.3177.8000112.3L129 T135 M140 L141 V142L129-I138 HydrophobicContact CD1-CB 4.44Å; L129-I138 HydrophobicContact CD1-CG2 3.76Å; L129-I138 HydrophobicContact CD2-CD1 4.21Å; L129-I138 HydrophobicContact CD2-CG1 4.26Å; L129-I138 HydrophobicContact CD2-CG2 4.13Å; T135-I138 HydrophobicContact CG2-CD1 4.49Å; I138-M140 VanDerWaalsContact C-N 3.33Å; I138-M140 PolarHBondContact O-N 3.05Å; I138-L141 PolarHBondContact O-N 3.4Å; I138-V142 WeakPolarHBondContact O-CG2 3.24Å; I138-V142 PolarHBondContact O-N 3.42Å
139P79.9Confident77.3Confident87 Ų8780 Ų8057%0.56546%0.464SS*.Hα-helixtrans-64.9-37.1-176-20.833.9000112.9P136 I143P136-P139 WeakPolarHBondContact O-CD 3.3Å; P139-I143 WeakPolarHBondContact O-CG1 3.41Å; P139-I143 PolarHBondContact O-N 3.3Å
140M82.9Confident78.2Confident115 Ų11582.5 Ų82.557%0.56748%0.477SS*.Hα-helixtrans-70-40.9179.4-173.664.2-172.200111.5L137 I138 I143 I144L137-M140 PolarHBondContact O-N 2.95Å; I138-M140 VanDerWaalsContact C-N 3.33Å; I138-M140 PolarHBondContact O-N 3.05Å; M140-I143 PolarHBondContact O-N 3.43Å; M140-I144 HydrophobicContact CE-CD1 3.96Å; M140-I144 HydrophobicContact CE-CG1 4.18Å; M140-I144 HydrophobicContact CG-CD1 4.12Å; M140-I144 WeakPolarHBondContact O-CG1 3.35Å; M140-I144 PolarHBondContact O-N 3.45Å; M140-I144 VanDerWaalsContact O-N 3.12Å
141L84.5Confident79.4Confident47 Ų4783.8 Ų83.825%0.24648%0.479CS..Hα-helixtrans-66.6-40.7-178.3-170.8146.9000112F128 L129 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 3.38Å; L129-L141 HydrophobicContact CD1-CD2 4.31Å; P130-L141 HydrophobicContact CG-CD1 3.97Å; P130-L141 HydrophobicContact CG-CD2 4.09Å; T133-L141 HydrophobicContact CG2-CD1 3.93Å; L137-L141 PolarHBondContact O-N 2.96Å; L137-L141 VanDerWaalsContact O-N 3.09Å; I138-L141 PolarHBondContact O-N 3.4Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 2.97Å; L141-I144 PolarHBondContact O-N 3.16Å; L141-E145 WeakPolarHBondContact O-CB 3.45Å; L141-E145 PolarHBondContact O-N 2.89Å
142V81.6Confident80.4Confident50 Ų5077.3 Ų77.330%0.30345%0.449SS..Hα-helixtrans-60.1-42.4176.1174.60000110.9L129 I138 I144 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.55Å; I138-V142 WeakPolarHBondContact O-CG2 3.24Å; I138-V142 PolarHBondContact O-N 3.42Å; V142-I144 PolarHBondContact O-N 2.67Å; V142-E145 PolarHBondContact O-N 3.46Å; V142-T146 HydrophobicContact CG1-CG2 4.35Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.29Å; V142-T146 PolarHBondContact O-N 3.4Å; V142-T146 PolarHBondContact O-OG1 3.46Å
143I84.8Confident81.2Confident91 Ų9173.9 Ų73.947%0.46741%0.411SS..Hα-helixtrans-61.2-47.5177.2-66.3167000110.4P139 M140 L141 E145 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.41Å; P139-I143 PolarHBondContact O-N 3.3Å; M140-I143 PolarHBondContact O-N 3.43Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 2.97Å; I143-E145 VanDerWaalsContact C-N 3.35Å; I143-E145 PolarHBondContact O-N 2.92Å; I143-T146 PolarHBondContact O-N 2.97Å; I143-T146 PolarHBondContact O-OG1 3.23Å; I143-I147 HydrophobicContact CG2-CD1 3.79Å; I143-I147 VanDerWaalsContact O-CG1 3.31Å; I143-I147 WeakPolarHBondContact O-CG1 3.21Å; I143-I147 PolarHBondContact O-N 3.49Å
144I85.6Confident81.8Confident93 Ų9376.9 Ų76.948%0.47742%0.424SS..Hα-helixtrans-61.8-43.5179.6-64.6166.1000111.2M140 L141 V142 I147 S148M140-I144 HydrophobicContact CE-CD1 3.96Å; M140-I144 HydrophobicContact CE-CG1 4.18Å; M140-I144 HydrophobicContact CG-CD1 4.12Å; M140-I144 WeakPolarHBondContact O-CG1 3.35Å; M140-I144 PolarHBondContact O-N 3.45Å; M140-I144 VanDerWaalsContact O-N 3.12Å; L141-I144 PolarHBondContact O-N 3.16Å; V142-I144 PolarHBondContact O-N 2.67Å; I144-I147 PolarHBondContact O-N 3.47Å; I144-S148 WeakPolarHBondContact O-CB 3.07Å; I144-S148 PolarHBondContact O-N 2.97Å
145E83.8Confident82.4Confident59 Ų5975.2 Ų75.228%0.27642%0.417SS..Hα-helixtrans-66.6-39.9-179.4-166.561.8-159.900111.7F128 L141 V142 I143 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.24Å; F128-E145 HydrophobicContact CD1-CG 3.83Å; L141-E145 WeakPolarHBondContact O-CB 3.45Å; L141-E145 PolarHBondContact O-N 2.89Å; V142-E145 PolarHBondContact O-N 3.46Å; I143-E145 VanDerWaalsContact C-N 3.35Å; I143-E145 PolarHBondContact O-N 2.92Å; E145-I147 VanDerWaalsContact C-N 3.32Å; E145-I147 PolarHBondContact O-N 3.34Å; E145-S148 WeakPolarHBondContact O-CB 3.38Å; E145-S148 PolarHBondContact O-N 3.48Å; E145-L149 WeakPolarHBondContact O-CB 3.5Å; E145-L149 PolarHBondContact O-N 2.99Å
146T81.3Confident82.6Confident53 Ų5370 Ų7033%0.32538%0.384SS..Hα-helixtrans-62.8-38.4174.159.60000112.4F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.28Å; F128-T146 HydrophobicContact CE1-CG2 4.06Å; V142-T146 HydrophobicContact CG1-CG2 4.35Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.29Å; V142-T146 PolarHBondContact O-N 3.4Å; V142-T146 PolarHBondContact O-OG1 3.46Å; I143-T146 PolarHBondContact O-N 2.97Å; I143-T146 PolarHBondContact O-OG1 3.23Å; T146-L150 WeakPolarHBondContact O-CG 3.18Å; T146-L150 PolarHBondContact O-N 3.22Å
147I85.5Confident82.6Confident83 Ų8365 Ų6543%0.42635%0.352SS..Hα-helixtrans-68-43.5175.2-67.5167.1000110.6I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.79Å; I143-I147 VanDerWaalsContact O-CG1 3.31Å; I143-I147 WeakPolarHBondContact O-CG1 3.21Å; I143-I147 PolarHBondContact O-N 3.49Å; I144-I147 PolarHBondContact O-N 3.47Å; E145-I147 VanDerWaalsContact C-N 3.32Å; E145-I147 PolarHBondContact O-N 3.34Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.42Å; I147-L150 PolarHBondContact O-N 3.24Å; I147-L150 VanDerWaalsContact O-N 3.16Å; I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.14Å; I147-I151 WeakPolarHBondContact O-CG1 3.31Å; I147-I151 PolarHBondContact O-N 2.86Å
148S83.3Confident83Confident52 Ų5263 Ų6336%0.36434%0.344SS..Hα-helixtrans-57.4-46.2177.9-176.90000111.9I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.07Å; I144-S148 PolarHBondContact O-N 2.97Å; E145-S148 WeakPolarHBondContact O-CB 3.38Å; E145-S148 PolarHBondContact O-N 3.48Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.34Å; S148-I151 PolarHBondContact O-N 3.16Å; S148-Q152 PolarHBondContact O-N 3.17Å; S148-Q152 VanDerWaalsContact O-N 3.14Å
149L82.3Confident83.3Confident44 Ų4465.6 Ų65.623%0.2335%0.351CS..Hα-helixtrans-61.1-36.1177.6-174.1123.6000112.3W109 F128 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.12Å; W109-L149 HydrophobicContact CZ2-CD2 3.45Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.45Å; W109-L149 HydrophobicContact CZ2-CG 3.91Å; W109-L149 VanDerWaalsContact CZ2-O 3.26Å; W109-L149 WeakPolarHBondContact CZ2-O 3.29Å; W109-L149 PolarHBondContact NE1-O 3.14Å; F128-L149 HydrophobicContact CE1-CD1 4.43Å; E145-L149 WeakPolarHBondContact O-CB 3.5Å; E145-L149 PolarHBondContact O-N 2.99Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.42Å; L149-P153 WeakPolarHBondContact O-CD 3.33Å
150L82.1Confident83.4Confident111 Ų11161.4 Ų61.458%0.58132%0.324SS*.Hα-helixtrans-77.3-34.9176.9-71.5174.4000113.7W109 T146 I147 S148 P153W109-L150 HydrophobicContact CH2-CD2 3.78Å; W109-L150 HydrophobicContact CZ2-CD2 4.31Å; T146-L150 WeakPolarHBondContact O-CG 3.18Å; T146-L150 PolarHBondContact O-N 3.22Å; I147-L150 PolarHBondContact O-N 3.24Å; I147-L150 VanDerWaalsContact O-N 3.16Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.34Å; L150-P153 WeakPolarHBondContact O-CD 3.31Å; L150-P153 WeakPolarHBondContact O-CG 3.3Å
151I85.2Confident83.6Confident99 Ų9956.6 Ų56.651%0.50830%0.301SS..Hα-helixtrans-72.4-31.7-179.3-70173.2000111.3I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.14Å; I147-I151 WeakPolarHBondContact O-CG1 3.31Å; I147-I151 PolarHBondContact O-N 2.86Å; S148-I151 PolarHBondContact O-N 3.16Å; I151-M154 CarbonylContact O-C 3.57Å; I151-M154 WeakPolarHBondContact O-CB 3.17Å; I151-M154 PolarHBondContact O-N 3.44Å; I151-M154 VanDerWaalsContact O-N 3.09Å; I151-A155 HydrophobicContact CG2-CB 4.42Å; I151-A155 WeakPolarHBondContact O-CB 3.17Å; I151-A155 PolarHBondContact O-N 3.28Å
152Q82.9Confident83.6Confident68 Ų6856.3 Ų56.332%0.31831%0.305SS..Hα-helixtrans-49.9-53.8-177.7-108.6177-11.800116.3S148 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 3.17Å; S148-Q152 VanDerWaalsContact O-N 3.14Å; Q152-M154 PolarHBondContact O-N 2.96Å; Q152-A155 PolarHBondContact O-N 3.48Å; Q152-L156 PolarHBondContact O-N 3.34Å; Q152-Y221 HydrophobicContact CG-CE1 4.3Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.43Å; Q152-Y221 PolarHBondContact NE2-OH 3.21Å; Q152-Y221 PolarHBondContact OE1-OH 3.36Å
153P79.1Confident83.9Confident10 Ų1056.8 Ų56.87%0.06531%0.306CS..Hα-helixtrans-63.7-33.3178.823.8-34.5000112W109 L149 L150 A157W109-P153 HydrophobicContact CB-CB 3.85Å; W109-P153 HydrophobicContact CB-CG 4.37Å; W109-P153 HydrophobicContact CD2-CB 4.24Å; W109-P153 HydrophobicContact CD2-CG 3.77Å; W109-P153 HydrophobicContact CE3-CG 4.27Å; W109-P153 HydrophobicContact CG-CB 3.79Å; W109-P153 HydrophobicContact CG-CG 3.8Å; L149-P153 WeakPolarHBondContact O-CD 3.33Å; L150-P153 WeakPolarHBondContact O-CD 3.31Å; L150-P153 WeakPolarHBondContact O-CG 3.3Å; P153-A157 PolarHBondContact O-N 2.98Å
154M83.8Confident83.9Confident95 Ų9552.8 Ų52.847%0.46829%0.285SS..Hα-helixtrans-70.9-42.6176.9-164.5147.3-14300111.6L102 I151 Q152 L156 A157 V158L102-M154 HydrophobicContact CD1-CE 4.12Å; L102-M154 HydrophobicContact CD1-CG 4.33Å; L102-M154 HydrophobicContact CD2-CE 4.14Å; I151-M154 CarbonylContact O-C 3.57Å; I151-M154 WeakPolarHBondContact O-CB 3.17Å; I151-M154 PolarHBondContact O-N 3.44Å; I151-M154 VanDerWaalsContact O-N 3.09Å; Q152-M154 PolarHBondContact O-N 2.96Å; M154-L156 VanDerWaalsContact C-N 3.3Å; M154-L156 PolarHBondContact O-N 3.49Å; M154-A157 PolarHBondContact O-N 3.29Å; M154-V158 HydrophobicContact CG-CG2 4.49Å; M154-V158 WeakPolarHBondContact O-CB 3.39Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.43Å; M154-V158 PolarHBondContact O-N 3.06Å
155A84.9Confident84.1Confident42 Ų4250 Ų5035%0.34727%0.273SS..Hα-helixtrans-61.8-38176.200000112I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.42Å; I151-A155 WeakPolarHBondContact O-CB 3.17Å; I151-A155 PolarHBondContact O-N 3.28Å; Q152-A155 PolarHBondContact O-N 3.48Å; A155-R159 WeakPolarHBondContact O-CB 3.42Å; A155-R159 PolarHBondContact O-N 3.27Å
156L79.9Confident84.2Confident8 Ų849.9 Ų49.94%0.04228%0.282CS..Hα-helixtrans-61.5-48.3175-165.387000111.8A105 Q152 M154 R159 L160 F214 L217 V218A105-L156 HydrophobicContact CB-CD2 4.4Å; Q152-L156 PolarHBondContact O-N 3.34Å; M154-L156 VanDerWaalsContact C-N 3.3Å; M154-L156 PolarHBondContact O-N 3.49Å; L156-R159 PolarHBondContact O-N 3.26Å; L156-L160 PolarHBondContact O-N 3.09Å; L156-F214 HydrophobicContact CD1-CD2 4.23Å; L156-F214 HydrophobicContact CD1-CG 4.49Å; L156-F214 HydrophobicContact CD2-CD1 4.05Å; L156-F214 HydrophobicContact CD2-CD2 3.37Å; L156-F214 HydrophobicContact CD2-CE1 3.87Å; L156-F214 HydrophobicContact CD2-CE2 3.16Å; L156-F214 HydrophobicContact CD2-CG 3.82Å; L156-F214 HydrophobicContact CD2-CZ 3.43Å; L156-F214 VanDerWaalsContact CD2-CZ 3.43Å; L156-F214 HydrophobicContact CG-CD2 3.46Å; L156-F214 VanDerWaalsContact CG-CD2 3.46Å; L156-F214 HydrophobicContact CG-CE2 3.62Å; L156-F214 HydrophobicContact CG-CG 4.12Å; L156-F214 HydrophobicContact CG-CZ 4.38Å; L156-L217 HydrophobicContact CD1-CB 3.84Å; L156-L217 HydrophobicContact CD1-CD1 3.38Å; L156-L217 HydrophobicContact CD1-CG 4.24Å; L156-V218 HydrophobicContact CD2-CG2 4.24Å
157A83.4Confident84.6Confident0 Ų047.6 Ų47.60%027%0.269CS..Hα-helixtrans-64.3-45179.800000111.9L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.39Å; N101-A157 HydrophobicContact CB-CB 3.93Å; N101-A157 PolarHBondContact ND2-O 3.37Å; L102-A157 HydrophobicContact CB-CB 4.45Å; L102-A157 HydrophobicContact CD1-CB 4.03Å; A105-A157 HydrophobicContact CB-CB 4.21Å; P153-A157 PolarHBondContact O-N 2.98Å; M154-A157 PolarHBondContact O-N 3.29Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.23Å; A157-L160 PolarHBondContact O-N 2.83Å; A157-T161 PolarHBondContact O-N 3.03Å; A157-T161 VanDerWaalsContact O-N 3.14Å; A157-T161 PolarHBondContact O-OG1 3.14Å
158V86.8Confident84.7Confident65 Ų6545.2 Ų45.239%0.39426%0.256SS..Hα-helixtrans-63.9-38.5177.8172.30000111.4L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.88Å; M154-V158 HydrophobicContact CG-CG2 4.49Å; M154-V158 WeakPolarHBondContact O-CB 3.39Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.43Å; M154-V158 PolarHBondContact O-N 3.06Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 2.8Å; V158-T161 WeakPolarHBondContact CA-OG1 3.48Å; V158-T161 PolarHBondContact O-N 3.16Å; V158-T161 PolarHBondContact O-OG1 3.31Å; V158-A162 WeakPolarHBondContact O-CB 3.31Å; V158-A162 PolarHBondContact O-N 3.1Å
159R86.8Confident84.9Confident105 Ų10544.8 Ų44.840%0.39625%0.249SC..Hα-helixtrans-60.7-42.9177.7-168.1-173.2-64.1156.20.9111.8A155 L156 A157 N163 Q210A155-R159 WeakPolarHBondContact O-CB 3.42Å; A155-R159 PolarHBondContact O-N 3.27Å; L156-R159 PolarHBondContact O-N 3.26Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.23Å; R159-N163 WeakPolarHBondContact O-CB 3.37Å; R159-N163 VanDerWaalsContact O-CG 3.28Å; R159-N163 PolarHBondContact O-N 2.98Å; R159-N163 PolarHBondContact O-ND2 3.34Å; R159-Q210 VanDerWaalsContact C-NE2 3.26Å; R159-Q210 VanDerWaalsContact CG-NE2 3.31Å
160L82Confident85.3Confident0 Ų046.5 Ų46.50%026%0.258CS..Hα-helixtrans-67.4-44.6179.5178.866.4000111I79 N101 L156 A157 V158 I164 Q210 F214I79-L160 HydrophobicContact CG2-CD1 4.13Å; I79-L160 HydrophobicContact CG2-CD2 4.14Å; N101-L160 HydrophobicContact CB-CD2 4.4Å; N101-L160 VanDerWaalsContact CG-CD2 3.49Å; N101-L160 WeakPolarHBondContact ND2-CB 3.09Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.29Å; N101-L160 VanDerWaalsContact ND2-CG 3.32Å; N101-L160 WeakPolarHBondContact ND2-CG 3.44Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.17Å; L156-L160 PolarHBondContact O-N 3.09Å; A157-L160 PolarHBondContact O-N 2.83Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 2.8Å; L160-I164 HydrophobicContact CD1-CD1 3.62Å; L160-I164 HydrophobicContact CG-CD1 4.18Å; L160-I164 WeakPolarHBondContact O-CG1 3.31Å; L160-I164 PolarHBondContact O-N 3.35Å; L160-Q210 VanDerWaalsContact CA-NE2 3.28Å; L160-Q210 HydrophobicContact CB-CG 4.27Å; L160-Q210 HydrophobicContact CD1-CB 4.36Å; L160-Q210 HydrophobicContact CD1-CG 3.41Å; L160-Q210 VanDerWaalsContact CD1-CG 3.41Å; L160-Q210 HydrophobicContact CG-CG 4.43Å; L160-F214 HydrophobicContact CD2-CD2 4.43Å
161T85.6Confident85.7Confident13 Ų1342.6 Ų42.68%0.0824%0.237CC..Hα-helixtrans-65.2-46.2177.448.10000112.3T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.45Å; L98-T161 VanDerWaalsContact CA-CG2 3.45Å; L98-T161 HydrophobicContact CB-CG2 4.04Å; L98-T161 HydrophobicContact CD1-CG2 3.99Å; N101-T161 HydrophobicContact CB-CG2 4.27Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.11Å; N101-T161 PolarHBondContact ND2-N 3.37Å; A157-T161 PolarHBondContact O-N 3.03Å; A157-T161 VanDerWaalsContact O-N 3.14Å; A157-T161 PolarHBondContact O-OG1 3.14Å; V158-T161 WeakPolarHBondContact CA-OG1 3.48Å; V158-T161 PolarHBondContact O-N 3.16Å; V158-T161 PolarHBondContact O-OG1 3.31Å; T161-N163 PolarHBondContact O-N 3.08Å; T161-I164 PolarHBondContact O-N 3.12Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 2.97Å; T161-T165 WeakPolarHBondContact O-CG2 3.26Å; T161-T165 PolarHBondContact O-N 3.17Å; T161-T165 PolarHBondContact O-OG1 2.71Å
162A85.1Confident85.9Confident41 Ų4142 Ų4234%0.33923%0.232SC..Hα-helixtrans-63.7-44.3-172.800000111V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.31Å; V158-A162 PolarHBondContact O-N 3.1Å; A162-T165 PolarHBondContact O-OG1 3.27Å; A162-A166 WeakPolarHBondContact O-CB 3.42Å; A162-A166 PolarHBondContact O-N 3.37Å
163N88.2Confident86.2Confident61 Ų6143 Ų4333%0.32624%0.239SC..Hα-helixtrans-64.1-48.7-179.4-69.3-6000111.3R159 T161 G167 V206R159-N163 WeakPolarHBondContact O-CB 3.37Å; R159-N163 VanDerWaalsContact O-CG 3.28Å; R159-N163 PolarHBondContact O-N 2.98Å; R159-N163 PolarHBondContact O-ND2 3.34Å; T161-N163 PolarHBondContact O-N 3.08Å; N163-G167 PolarHBondContact O-N 3.48Å; N163-V206 HydrophobicContact CB-CG1 4.13Å
164I85.4Confident86.8Confident6 Ų644.1 Ų44.13%0.03124%0.244CC..Hα-helixtrans-69.9-41.3-177-60173.3000111.3N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.29Å; N83-I164 VanDerWaalsContact CG-CD1 3.42Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.26Å; T93-I164 HydrophobicContact CG2-CG2 4.31Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.46Å; T96-I164 HydrophobicContact CG2-CB 4.39Å; T96-I164 HydrophobicContact CG2-CG2 3.66Å; L160-I164 HydrophobicContact CD1-CD1 3.62Å; L160-I164 HydrophobicContact CG-CD1 4.18Å; L160-I164 WeakPolarHBondContact O-CG1 3.31Å; L160-I164 PolarHBondContact O-N 3.35Å; T161-I164 PolarHBondContact O-N 3.12Å; I164-H168 WeakPolarHBondContact O-CB 3.39Å; I164-H168 PolarHBondContact O-CD2 3.36Å; I164-H168 VanDerWaalsContact O-CD2 3.29Å; I164-H168 PolarHBondContact O-N 3.49Å
165T88.2Confident87.1Confident36 Ų3640.8 Ų40.822%0.22123%0.234CC..Hα-helixtrans-65.9-45.8177.453.30000111.8F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.39Å; F9-T165 HydrophobicContact CE1-CG2 4.07Å; T96-T165 HydrophobicContact CG2-CG2 3.75Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 2.97Å; T161-T165 WeakPolarHBondContact O-CG2 3.26Å; T161-T165 PolarHBondContact O-N 3.17Å; T161-T165 PolarHBondContact O-OG1 2.71Å; A162-T165 PolarHBondContact O-OG1 3.27Å; T165-H168 PolarHBondContact O-N 3.36Å; T165-L169 WeakPolarHBondContact O-CB 3.35Å; T165-L169 WeakPolarHBondContact O-CG 3.12Å; T165-L169 PolarHBondContact O-N 2.93Å
166A87.4Confident87.3Confident55 Ų5541.5 Ų41.546%0.45524%0.237SC..Hα-helixtrans-63.9-43.4178.300000111.4A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.42Å; A162-A166 PolarHBondContact O-N 3.37Å; A166-L169 PolarHBondContact O-N 3.04Å; A166-L170 VanDerWaalsContact O-CB 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.28Å; A166-L170 PolarHBondContact O-N 3.08Å
167G88.1Confident87.6Confident5 Ų543 Ų435%0.05225%0.25CS..Hα-helixtrans-58.7-48.2176.400000112.5N163 L170 M171 E203N163-G167 PolarHBondContact O-N 3.48Å; G167-L170 PolarHBondContact O-N 2.75Å; G167-M171 WeakPolarHBondContact O-CB 3.21Å; G167-M171 WeakPolarHBondContact O-CG 3.24Å; G167-M171 PolarHBondContact O-N 2.95Å; G167-E203 WeakPolarHBondContact CA-OE2 3.47Å
168H87.9Confident88Confident33 Ų3343.9 Ų43.915%0.15326%0.256CS..Hα-helixtrans-62-43.5175.8-90.7-90000113.4F9 G86 I164 T165 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.1Å; F9-H168 HydrophobicContact CZ-CB 3.82Å; G86-H168 PolarHBondContact O-CE1 3.32Å; G86-H168 PolarHBondContact O-NE2 3.29Å; G86-H168 VanDerWaalsContact O-NE2 3.1Å; I164-H168 WeakPolarHBondContact O-CB 3.39Å; I164-H168 PolarHBondContact O-CD2 3.36Å; I164-H168 VanDerWaalsContact O-CD2 3.29Å; I164-H168 PolarHBondContact O-N 3.49Å; T165-H168 PolarHBondContact O-N 3.36Å; H168-L170 VanDerWaalsContact C-N 3.34Å; H168-M171 PolarHBondContact O-N 3Å; H168-H172 WeakPolarHBondContact O-CB 3.47Å; H168-H172 PolarHBondContact O-N 3.29Å
169L88.1Confident88.1Confident44 Ų4447 Ų4723%0.2327%0.269CS..Hα-helixtrans-62.4-42.6175.9-77170.9000111.5F6 F9 T165 A166 H172 L173F6-L169 HydrophobicContact CD1-CD2 4.38Å; F6-L169 HydrophobicContact CE1-CD1 4.13Å; F6-L169 HydrophobicContact CE1-CD2 4.01Å; F6-L169 HydrophobicContact CZ-CD2 4.43Å; F9-L169 HydrophobicContact CE2-CD1 4.5Å; F9-L169 HydrophobicContact CE2-CD2 3.66Å; F9-L169 HydrophobicContact CE2-CG 3.79Å; F9-L169 HydrophobicContact CZ-CD2 4.28Å; F9-L169 HydrophobicContact CZ-CG 3.93Å; T165-L169 WeakPolarHBondContact O-CB 3.35Å; T165-L169 WeakPolarHBondContact O-CG 3.12Å; T165-L169 PolarHBondContact O-N 2.93Å; A166-L169 PolarHBondContact O-N 3.04Å; L169-H172 PolarHBondContact O-N 3.16Å; L169-L173 WeakPolarHBondContact O-CG 3.24Å; L169-L173 PolarHBondContact O-N 3.26Å
170L90.1Very high88.2Confident79 Ų7944.1 Ų44.141%0.41427%0.268SS..Hα-helixtrans-67.7-42.2-179-155.4154.4000111A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.28Å; A166-L170 PolarHBondContact O-N 3.08Å; G167-L170 PolarHBondContact O-N 2.75Å; H168-L170 VanDerWaalsContact C-N 3.34Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.03Å; L170-L173 PolarHBondContact O-N 2.98Å; L170-I174 HydrophobicContact CD2-CD1 3.46Å; L170-I174 VanDerWaalsContact CD2-CD1 3.46Å; L170-I174 HydrophobicContact CD2-CG1 4.04Å; L170-I174 WeakPolarHBondContact O-CG1 3.49Å; L170-I174 PolarHBondContact O-N 3.11Å; L170-L199 HydrophobicContact CB-CD2 4.37Å; L170-L199 HydrophobicContact CD2-CD1 3.67Å; L170-L199 HydrophobicContact CD2-CD2 3.24Å; L170-L199 HydrophobicContact CD2-CG 4.07Å; L170-L199 HydrophobicContact CG-CD2 4.38Å
171M90.4Very high88.4Confident30 Ų3047.1 Ų47.115%0.14828%0.283CS..Hα-helixtrans-58.5-43.3171.7-75.3-172.2-68.900111.8L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 3.96Å; G167-M171 WeakPolarHBondContact O-CB 3.21Å; G167-M171 WeakPolarHBondContact O-CG 3.24Å; G167-M171 PolarHBondContact O-N 2.95Å; H168-M171 PolarHBondContact O-N 3Å; M171-G175 PolarHBondContact O-N 3.38Å; M171-L199 HydrophobicContact CB-CD2 4.32Å; M171-L199 HydrophobicContact CG-CD2 3.56Å; M171-L199 HydrophobicContact CG-CG 4.22Å; M171-T200 HydrophobicContact SD-CG2 3.86Å; M171-E203 HydrophobicContact CE-CG 4.18Å
172H89.3Confident88.5Confident86 Ų8649.5 Ų49.540%0.39830%0.3SS..Hα-helixtrans-67.6-41.8178.6-169.4-57.6000112.2L5 H168 L169 L170 G175 S176L5-H172 WeakPolarHBondContact CD2-CE1 3.39Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.11Å; H168-H172 WeakPolarHBondContact O-CB 3.47Å; H168-H172 PolarHBondContact O-N 3.29Å; L169-H172 PolarHBondContact O-N 3.16Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.03Å; H172-G175 PolarHBondContact O-N 3.27Å; H172-S176 PolarHBondContact O-N 3.27Å; H172-S176 PolarHBondContact O-OG 3.06Å
173L90.1Very high88.6Confident90 Ų9053.2 Ų53.247%0.47132%0.318SS..Hα-helixtrans-63.6-48.2178.5-73.8172.1000111.2L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 4.13Å; L5-L173 HydrophobicContact CD2-CD2 4.34Å; L169-L173 WeakPolarHBondContact O-CG 3.24Å; L169-L173 PolarHBondContact O-N 3.26Å; L170-L173 PolarHBondContact O-N 2.98Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 3.21Å; L173-S176 PolarHBondContact O-N 3.3Å; L173-S176 PolarHBondContact O-OG 2.91Å; L173-A177 PolarHBondContact O-N 2.91Å
174I91.2Very high88.6Confident33 Ų3355.4 Ų55.417%0.16933%0.329CS..Hα-helixtrans-64.5-40.4176.7-64.6-173.4000110.6L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.46Å; L170-I174 VanDerWaalsContact CD2-CD1 3.46Å; L170-I174 HydrophobicContact CD2-CG1 4.04Å; L170-I174 WeakPolarHBondContact O-CG1 3.49Å; L170-I174 PolarHBondContact O-N 3.11Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 2.86Å; I174-A177 WeakPolarHBondContact O-CB 3.49Å; I174-A177 PolarHBondContact O-N 2.85Å; I174-A177 VanDerWaalsContact O-N 3.14Å; I174-T178 HydrophobicContact CG2-CG2 4.39Å; I174-T178 WeakPolarHBondContact O-CG2 3.27Å; I174-T178 PolarHBondContact O-N 3.46Å; I174-I192 HydrophobicContact CG2-CG2 3.8Å; I174-I195 HydrophobicContact CD1-CG2 4.07Å; I174-L196 HydrophobicContact CB-CD1 4.21Å; I174-L196 HydrophobicContact CG2-CB 3.96Å; I174-L196 HydrophobicContact CG2-CD1 3.99Å; I174-L199 HydrophobicContact CD1-CD2 4.16Å
175G89.8Confident88.7Confident24 Ų2459.6 Ų59.625%0.24735%0.352CS..Hα-helixtrans-61.6-36.8175.100000113.6M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 3.38Å; H172-G175 PolarHBondContact O-N 3.27Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 3.21Å; G175-T178 PolarHBondContact O-OG1 2.89Å; G175-L179 PolarHBondContact O-N 2.86Å
176S88.8Confident88.7Confident58 Ų5864.9 Ų64.941%0.40638%0.378SS..Hα-helixtrans-70.5-35.2173.672.20000112.2H172 L173 I174 L179 A180H172-S176 PolarHBondContact O-N 3.27Å; H172-S176 PolarHBondContact O-OG 3.06Å; L173-S176 PolarHBondContact O-N 3.3Å; L173-S176 PolarHBondContact O-OG 2.91Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 2.86Å; S176-L179 PolarHBondContact O-N 2.83Å; S176-A180 WeakPolarHBondContact O-CB 3.44Å; S176-A180 PolarHBondContact O-N 3.34Å
177A88.1Confident88.7Confident39 Ų3966.8 Ų66.832%0.32239%0.385SS..Hα-helixtrans-69.3-40.9176.100000112L173 I174 L179 A180 M181L173-A177 PolarHBondContact O-N 2.91Å; I174-A177 WeakPolarHBondContact O-CB 3.49Å; I174-A177 PolarHBondContact O-N 2.85Å; I174-A177 VanDerWaalsContact O-N 3.14Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 3.37Å; A177-A180 PolarHBondContact O-N 3.31Å; A177-M181 WeakPolarHBondContact O-CB 3.33Å; A177-M181 WeakPolarHBondContact O-CG 3.31Å; A177-M181 PolarHBondContact O-N 3.41Å
178T90.3Very high88.7Confident19 Ų1968.3 Ų68.312%0.11740%0.395CS..Hα-helixtrans-60.9-42.8174.156.20000110.9I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.39Å; I174-T178 WeakPolarHBondContact O-CG2 3.27Å; I174-T178 PolarHBondContact O-N 3.46Å; G175-T178 PolarHBondContact O-OG1 2.89Å; T178-M181 PolarHBondContact O-N 3.29Å; T178-S182 PolarHBondContact O-N 3.39Å; T178-I192 HydrophobicContact CG2-CB 3.87Å; T178-I192 HydrophobicContact CG2-CG2 3.37Å
179L89.5Confident88.9Confident129 Ų12967.9 Ų67.968%0.67540%0.395SS*.Hα-helixtrans-65.7-42.6178.8-166.1133.3000111.8G175 S176 A177 S182G175-L179 PolarHBondContact O-N 2.86Å; S176-L179 PolarHBondContact O-N 2.83Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 3.37Å; L179-S182 PolarHBondContact O-N 2.98Å; L179-S182 PolarHBondContact O-OG 3.35Å
180A88.8Confident89Confident46 Ų4671.5 Ų71.538%0.3841%0.414SS..Hα-helixtrans-63.6-45.1174.900000112.1S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.44Å; S176-A180 PolarHBondContact O-N 3.34Å; A177-A180 PolarHBondContact O-N 3.31Å; A180-S182 VanDerWaalsContact C-N 3.28Å; A180-S182 PolarHBondContact O-N 3.35Å; A180-T183 PolarHBondContact O-N 3.3Å; A180-T183 PolarHBondContact O-OG1 3.01Å
181M87.1Confident89.1Confident63 Ų6372.9 Ų72.931%0.3142%0.421SS..Hα-helixtrans-69.1-25.4-178.8-68.2-63.8113.500113.4A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.33Å; A177-M181 WeakPolarHBondContact O-CG 3.31Å; A177-M181 PolarHBondContact O-N 3.41Å; T178-M181 PolarHBondContact O-N 3.29Å; M181-T183 PolarHBondContact O-N 2.78Å; M181-T183 VanDerWaalsContact O-N 3.15Å; M181-I184 HydrophobicContact CE-CD1 3.64Å; M181-I184 PolarHBondContact O-N 3.04Å; M181-I184 HydrophobicContact SD-CD1 4.21Å; M181-N185 PolarHBondContact O-N 3.45Å; M181-T189 PolarHBondContact O-OG1 2.55Å; M181-T189 VanDerWaalsContact O-OG1 3.11Å; M181-I192 HydrophobicContact CB-CD1 4.19Å; M181-I192 HydrophobicContact CG-CD1 3.66Å
182S87.1Confident89.2Confident62 Ų6273.4 Ų73.443%0.43442%0.424SS..Hα-helixtrans-57.1-29.3177.176.20000113.1T178 L179 A180 T189T178-S182 PolarHBondContact O-N 3.39Å; L179-S182 PolarHBondContact O-N 2.98Å; L179-S182 PolarHBondContact O-OG 3.35Å; A180-S182 VanDerWaalsContact C-N 3.28Å; A180-S182 PolarHBondContact O-N 3.35Å; S182-T189 VanDerWaalsContact CA-OG1 3.31Å; S182-T189 WeakPolarHBondContact CA-OG1 3.27Å; S182-T189 PolarHBondContact N-OG1 3.34Å
183T87.4Confident89.4Confident119 Ų11974.3 Ų74.373%0.7343%0.427SS*.THydrogen-bonded Turntrans-82.1-20.1178.966.30000113.7A180 M181A180-T183 PolarHBondContact O-N 3.3Å; A180-T183 PolarHBondContact O-OG1 3.01Å; M181-T183 PolarHBondContact O-N 2.78Å; M181-T183 VanDerWaalsContact O-N 3.15Å
184I87.8Confident89.6Confident107 Ų10773.6 Ų73.655%0.54943%0.426SS..THydrogen-bonded Turntrans-98-59.6-173-58.5170.4000110M181M181-I184 HydrophobicContact CE-CD1 3.64Å; M181-I184 PolarHBondContact O-N 3.04Å; M181-I184 HydrophobicContact SD-CD1 4.21Å
185N87.9Confident89.7Confident95 Ų9575.9 Ų75.951%0.50844%0.438SS..  trans-146124.5-173.7-84.5-19.8000111.3M181 S188 T189M181-N185 PolarHBondContact O-N 3.45Å; N185-S188 VanDerWaalsContact CB-OG 3.3Å; N185-S188 WeakPolarHBondContact CB-OG 3.39Å; N185-S188 PolarHBondContact O-OG 3.27Å; N185-S188 VanDerWaalsContact O-OG 3.05Å; N185-T189 PolarHBondContact O-N 2.88Å; N185-T189 PolarHBondContact O-OG1 3.21Å
186L86.8Confident89.9Confident147 Ų14776.3 Ų76.377%0.7743%0.434SS*.Hα-helixtrans-63.3-44.1177.1-151.297.8000114.4T189 L190L186-T189 WeakPolarHBondContact O-CB 3.5Å; L186-T189 PolarHBondContact O-N 3Å; L186-L190 PolarHBondContact O-N 2.95Å
187P89Confident90.1Very high94 Ų9477.2 Ų77.261%0.6143%0.434SS*.Hα-helixtrans-70.2-36-174.925.7-33.4000113T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.32Å; P187-L190 PolarHBondContact O-N 3.36Å; P187-I191 PolarHBondContact O-N 2.93Å
188S87.3Confident90.4Very high37 Ų3781.1 Ų81.126%0.25945%0.449SS..Hα-helixtrans-67.8-34.4174.653.70000111.9N185 L190 I191 I192N185-S188 VanDerWaalsContact CB-OG 3.3Å; N185-S188 WeakPolarHBondContact CB-OG 3.39Å; N185-S188 PolarHBondContact O-OG 3.27Å; N185-S188 VanDerWaalsContact O-OG 3.05Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 2.97Å; S188-I191 PolarHBondContact O-N 3.28Å; S188-I192 WeakPolarHBondContact O-CG1 3.39Å; S188-I192 PolarHBondContact O-N 2.87Å; S188-I192 VanDerWaalsContact O-N 3.12Å
189T91.6Very high90.5Very high25 Ų2581.3 Ų81.315%0.15345%0.449CS..Hα-helixtrans-61-41.3174.9-58.90000111.6M181 S182 N185 L186 P187 I191 I192 F193M181-T189 PolarHBondContact O-OG1 2.55Å; M181-T189 VanDerWaalsContact O-OG1 3.11Å; S182-T189 VanDerWaalsContact CA-OG1 3.31Å; S182-T189 WeakPolarHBondContact CA-OG1 3.27Å; S182-T189 PolarHBondContact N-OG1 3.34Å; N185-T189 PolarHBondContact O-N 2.88Å; N185-T189 PolarHBondContact O-OG1 3.21Å; L186-T189 WeakPolarHBondContact O-CB 3.5Å; L186-T189 PolarHBondContact O-N 3Å; P187-T189 VanDerWaalsContact C-N 3.32Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.42Å; T189-I192 PolarHBondContact O-N 3.38Å; T189-F193 VanDerWaalsContact O-CB 3.27Å; T189-F193 WeakPolarHBondContact O-CB 3.43Å; T189-F193 PolarHBondContact O-N 2.98Å
190L91.2Very high90.6Very high120 Ų12077.6 Ų77.663%0.62843%0.432SS*.Hα-helixtrans-60-41.9177.2-162.782.3000111.6L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 2.95Å; P187-L190 PolarHBondContact O-N 3.36Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 2.97Å; L190-F193 PolarHBondContact O-N 2.75Å; L190-T194 WeakPolarHBondContact O-CG2 3.48Å; L190-T194 PolarHBondContact O-N 3.25Å; L190-T194 PolarHBondContact O-OG1 3.39Å
191I92.7Very high90.8Very high108 Ų10880.4 Ų80.455%0.55444%0.439SS*.Hα-helixtrans-65.1-44.4178.9-62.1166.5000111.2P187 S188 T189 F193 T194 I195P187-I191 PolarHBondContact O-N 2.93Å; S188-I191 PolarHBondContact O-N 3.28Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.42Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.47Å; I191-T194 PolarHBondContact O-N 2.89Å; I191-T194 PolarHBondContact O-OG1 2.97Å; I191-I195 HydrophobicContact CG2-CD1 4.33Å; I191-I195 WeakPolarHBondContact O-CG1 3.47Å; I191-I195 PolarHBondContact O-N 3.46Å
192I92.8Very high91.1Very high41 Ų4182.1 Ų82.121%0.2145%0.449CS..Hα-helixtrans-70.7-33.3179.8-56.6167.5000110.2I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.8Å; T178-I192 HydrophobicContact CG2-CB 3.87Å; T178-I192 HydrophobicContact CG2-CG2 3.37Å; M181-I192 HydrophobicContact CB-CD1 4.19Å; M181-I192 HydrophobicContact CG-CD1 3.66Å; S188-I192 WeakPolarHBondContact O-CG1 3.39Å; S188-I192 PolarHBondContact O-N 2.87Å; S188-I192 VanDerWaalsContact O-N 3.12Å; T189-I192 PolarHBondContact O-N 3.38Å; I192-I195 WeakPolarHBondContact O-CB 3.31Å; I192-I195 PolarHBondContact O-N 3Å; I192-L196 PolarHBondContact O-N 3.14Å
193F92.4Very high91.2Very high104 Ų10479.8 Ų79.846%0.45643%0.431SS..Hα-helixtrans-66.1-39.2175-175-106.1000112.6T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.27Å; T189-F193 WeakPolarHBondContact O-CB 3.43Å; T189-F193 PolarHBondContact O-N 2.98Å; L190-F193 PolarHBondContact O-N 2.75Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.47Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 2.97Å; F193-L196 HydrophobicContact CD2-CD2 4.46Å; F193-L196 WeakPolarHBondContact O-CB 3.23Å; F193-L196 PolarHBondContact O-N 3.47Å; F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.46Å; F193-I197 VanDerWaalsContact CE1-CD1 3.46Å; F193-I197 HydrophobicContact CE1-CG1 4.29Å; F193-I197 HydrophobicContact CZ-CD1 4.01Å; F193-I197 HydrophobicContact CZ-CG1 4.43Å; F193-I197 PolarHBondContact O-N 3.34Å; F193-I197 VanDerWaalsContact O-N 3.08Å
194T93.4Very high91.4Very high75 Ų7578.2 Ų78.246%0.4642%0.417SS..Hα-helixtrans-65-37.4173.4570000111.8L190 I191 L196 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.48Å; L190-T194 PolarHBondContact O-N 3.25Å; L190-T194 PolarHBondContact O-OG1 3.39Å; I191-T194 PolarHBondContact O-N 2.89Å; I191-T194 PolarHBondContact O-OG1 2.97Å; T194-L196 VanDerWaalsContact C-N 3.34Å; T194-L196 PolarHBondContact O-N 3.39Å; T194-I197 PolarHBondContact O-N 3.44Å; T194-L198 PolarHBondContact O-N 3.2Å
195I94.3Very high91.6Very high82 Ų8275.2 Ų75.242%0.42141%0.409SS..Hα-helixtrans-61.7-41.9172.7-65.9166.7000111I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.07Å; I191-I195 HydrophobicContact CG2-CD1 4.33Å; I191-I195 WeakPolarHBondContact O-CG1 3.47Å; I191-I195 PolarHBondContact O-N 3.46Å; I192-I195 WeakPolarHBondContact O-CB 3.31Å; I192-I195 PolarHBondContact O-N 3Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 2.97Å; I195-I197 PolarHBondContact O-N 3.43Å; I195-L198 PolarHBondContact O-N 3.3Å; I195-L199 WeakPolarHBondContact O-CB 3.44Å; I195-L199 PolarHBondContact O-N 3.41Å
196L93.4Very high91.8Very high32 Ų3272.6 Ų72.617%0.16840%0.396CS..Hα-helixtrans-60-44.3176.4-177.366.8000111.6I174 I192 F193 T194 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.21Å; I174-L196 HydrophobicContact CG2-CB 3.96Å; I174-L196 HydrophobicContact CG2-CD1 3.99Å; I192-L196 PolarHBondContact O-N 3.14Å; F193-L196 HydrophobicContact CD2-CD2 4.46Å; F193-L196 WeakPolarHBondContact O-CB 3.23Å; F193-L196 PolarHBondContact O-N 3.47Å; T194-L196 VanDerWaalsContact C-N 3.34Å; T194-L196 PolarHBondContact O-N 3.39Å; L196-L198 VanDerWaalsContact C-N 3.35Å; L196-L199 PolarHBondContact O-N 2.88Å; L196-T200 WeakPolarHBondContact O-CG2 3.01Å; L196-T200 PolarHBondContact O-N 2.98Å
197I92.8Very high91.9Very high77 Ų7765.8 Ų65.840%0.39536%0.361SS..Hα-helixtrans-62.9-42.2176.1-66.9165000111.2F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.46Å; F193-I197 VanDerWaalsContact CE1-CD1 3.46Å; F193-I197 HydrophobicContact CE1-CG1 4.29Å; F193-I197 HydrophobicContact CZ-CD1 4.01Å; F193-I197 HydrophobicContact CZ-CG1 4.43Å; F193-I197 PolarHBondContact O-N 3.34Å; F193-I197 VanDerWaalsContact O-N 3.08Å; T194-I197 PolarHBondContact O-N 3.44Å; I195-I197 PolarHBondContact O-N 3.43Å; I197-L199 VanDerWaalsContact C-N 3.29Å; I197-L199 PolarHBondContact O-N 2.89Å; I197-T200 PolarHBondContact O-N 3.18Å; I197-T200 PolarHBondContact O-OG1 3.45Å; I197-I201 HydrophobicContact CG2-CD1 4.15Å; I197-I201 WeakPolarHBondContact O-CG1 3.28Å; I197-I201 PolarHBondContact O-N 3.44Å
198L94.9Very high91.9Very high121 Ų12166.6 Ų66.663%0.63436%0.36SS*.Hα-helixtrans-63.2-39.8178.1-174.664.8000111.3T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 3.2Å; I195-L198 PolarHBondContact O-N 3.3Å; L196-L198 VanDerWaalsContact C-N 3.35Å; L198-I201 PolarHBondContact O-N 3.04Å; L198-L202 PolarHBondContact O-N 3.48Å
199L93.4Very high92.1Very high24 Ų2469.4 Ų69.413%0.12637%0.371CS..Hα-helixtrans-64.6-41.4177.1-175.874.9000112.3L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.37Å; L170-L199 HydrophobicContact CD2-CD1 3.67Å; L170-L199 HydrophobicContact CD2-CD2 3.24Å; L170-L199 HydrophobicContact CD2-CG 4.07Å; L170-L199 HydrophobicContact CG-CD2 4.38Å; M171-L199 HydrophobicContact CB-CD2 4.32Å; M171-L199 HydrophobicContact CG-CD2 3.56Å; M171-L199 HydrophobicContact CG-CG 4.22Å; I174-L199 HydrophobicContact CD1-CD2 4.16Å; I195-L199 WeakPolarHBondContact O-CB 3.44Å; I195-L199 PolarHBondContact O-N 3.41Å; L196-L199 PolarHBondContact O-N 2.88Å; I197-L199 VanDerWaalsContact C-N 3.29Å; I197-L199 PolarHBondContact O-N 2.89Å; L199-I201 VanDerWaalsContact C-N 3.3Å; L199-I201 PolarHBondContact O-N 2.89Å; L199-L202 HydrophobicContact CD1-CD2 4.44Å; L199-L202 WeakPolarHBondContact O-CB 3.25Å; L199-L202 PolarHBondContact O-N 3.43Å; L199-E203 PolarHBondContact O-N 3.11Å
200T91.3Very high92Very high51 Ų5168.8 Ų68.831%0.31337%0.366SS..Hα-helixtrans-64.3-38.2178.157.70000111.4M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.86Å; L196-T200 WeakPolarHBondContact O-CG2 3.01Å; L196-T200 PolarHBondContact O-N 2.98Å; I197-T200 PolarHBondContact O-N 3.18Å; I197-T200 PolarHBondContact O-OG1 3.45Å; T200-E203 PolarHBondContact O-N 3.34Å; T200-I204 VanDerWaalsContact O-CG1 3.27Å; T200-I204 WeakPolarHBondContact O-CG1 3.33Å; T200-I204 PolarHBondContact O-N 2.95Å
201I92.8Very high91.9Very high104 Ų10463.1 Ų63.153%0.53334%0.337SS..Hα-helixtrans-62.7-44173.9-65.3166.9000110.7I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.15Å; I197-I201 WeakPolarHBondContact O-CG1 3.28Å; I197-I201 PolarHBondContact O-N 3.44Å; L198-I201 PolarHBondContact O-N 3.04Å; L199-I201 VanDerWaalsContact C-N 3.3Å; L199-I201 PolarHBondContact O-N 2.89Å; I201-E203 VanDerWaalsContact C-N 3.34Å; I201-E203 PolarHBondContact O-N 3.03Å; I201-I204 PolarHBondContact O-N 3.14Å; I201-A205 PolarHBondContact O-N 3.06Å
202L92Very high91.7Very high100 Ų10062.7 Ų62.752%0.52433%0.329SS..Hα-helixtrans-59.5-45.8176.2179.767.7000111.1L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 3.48Å; L199-L202 HydrophobicContact CD1-CD2 4.44Å; L199-L202 WeakPolarHBondContact O-CB 3.25Å; L199-L202 PolarHBondContact O-N 3.43Å; L202-I204 VanDerWaalsContact C-N 3.35Å; L202-I204 PolarHBondContact O-N 2.94Å; L202-A205 WeakPolarHBondContact O-CB 3.41Å; L202-A205 PolarHBondContact O-N 2.96Å; L202-A205 VanDerWaalsContact O-N 3.11Å; L202-V206 HydrophobicContact CD1-CG2 4.41Å; L202-V206 HydrophobicContact CG-CG2 4.35Å; L202-V206 WeakPolarHBondContact O-CG2 3.39Å; L202-V206 PolarHBondContact O-N 2.65Å
203E90.8Very high91.6Very high13 Ų1362.7 Ų62.76%0.06133%0.331CS..Hα-helixtrans-67.1-36.5-176.8-161.764.3-158.900112.1L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.4Å; L87-E203 HydrophobicContact CD2-CB 4.21Å; L87-E203 HydrophobicContact CD2-CG 3.42Å; L87-E203 VanDerWaalsContact CD2-CG 3.42Å; G167-E203 WeakPolarHBondContact CA-OE2 3.47Å; M171-E203 HydrophobicContact CE-CG 4.18Å; L199-E203 PolarHBondContact O-N 3.11Å; T200-E203 PolarHBondContact O-N 3.34Å; I201-E203 VanDerWaalsContact C-N 3.34Å; I201-E203 PolarHBondContact O-N 3.03Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 2.98Å; E203-V206 PolarHBondContact O-N 3.46Å; E203-A207 VanDerWaalsContact O-CB 3.31Å; E203-A207 WeakPolarHBondContact O-CB 3.45Å; E203-A207 PolarHBondContact O-N 3.46Å
204I91Very high91.3Very high85 Ų8557.8 Ų57.844%0.43631%0.309SS..Hα-helixtrans-59.5-43171.6-67.4164.4000110.7L87 T200 I201 L202 L208L87-I204 HydrophobicContact CD1-CB 4.23Å; L87-I204 HydrophobicContact CD1-CG1 3.65Å; T200-I204 VanDerWaalsContact O-CG1 3.27Å; T200-I204 WeakPolarHBondContact O-CG1 3.33Å; T200-I204 PolarHBondContact O-N 2.95Å; I201-I204 PolarHBondContact O-N 3.14Å; L202-I204 VanDerWaalsContact C-N 3.35Å; L202-I204 PolarHBondContact O-N 2.94Å; I204-L208 PolarHBondContact O-N 3.2Å
205A91.8Very high91.1Very high45 Ų4554.2 Ų54.237%0.37229%0.287SS..Hα-helixtrans-65.6-45.517700000111.7I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 3.06Å; L202-A205 WeakPolarHBondContact O-CB 3.41Å; L202-A205 PolarHBondContact O-N 2.96Å; L202-A205 VanDerWaalsContact O-N 3.11Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 2.98Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 3.45Å; A205-L208 PolarHBondContact O-N 2.82Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.27Å; A205-I209 PolarHBondContact O-N 2.9Å
206V91.8Very high90.8Very high39 Ų3952.7 Ų52.724%0.23628%0.28CS..Hα-helixtrans-61.2-42.6178.11730000111.2N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.13Å; L202-V206 HydrophobicContact CD1-CG2 4.41Å; L202-V206 HydrophobicContact CG-CG2 4.35Å; L202-V206 WeakPolarHBondContact O-CG2 3.39Å; L202-V206 PolarHBondContact O-N 2.65Å; E203-V206 PolarHBondContact O-N 3.46Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.41Å; V206-I209 PolarHBondContact O-N 2.79Å; V206-Q210 WeakPolarHBondContact O-CB 3.43Å; V206-Q210 PolarHBondContact O-N 3.38Å
207A89.3Confident90.4Very high4 Ų453 Ų533%0.03328%0.281CS..Hα-helixtrans-57.7-41.7178.300000112.8N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.94Å; N83-A207 PolarHBondContact ND2-O 3.47Å; L87-A207 HydrophobicContact CD1-CB 4.04Å; E203-A207 VanDerWaalsContact O-CB 3.31Å; E203-A207 WeakPolarHBondContact O-CB 3.45Å; E203-A207 PolarHBondContact O-N 3.46Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 3.45Å; A207-A211 PolarHBondContact O-N 3.3Å
208L89.1Confident90.1Very high111 Ų11149.6 Ų49.658%0.58126%0.264SS*.Hα-helixtrans-75.5-44.4179-171.3146.2000112I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 3.2Å; A205-L208 PolarHBondContact O-N 2.82Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.41Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.37Å; L208-A211 PolarHBondContact O-N 2.94Å; L208-Y212 PolarHBondContact O-N 3.32Å; L208-Y212 VanDerWaalsContact O-N 3.17Å
209I90.9Very high89.6Confident97 Ų9744.1 Ų44.150%0.49724%0.236SC..Hα-helixtrans-60.9-40.9177.7-68.9166.7000110.3A205 V206 A211 Y212 V213A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.27Å; A205-I209 PolarHBondContact O-N 2.9Å; V206-I209 PolarHBondContact O-N 2.79Å; I209-A211 PolarHBondContact O-N 3.08Å; I209-Y212 WeakPolarHBondContact O-CB 3.47Å; I209-Y212 PolarHBondContact O-N 3.46Å; I209-Y212 VanDerWaalsContact O-N 3.16Å; I209-V213 HydrophobicContact CG2-CG2 4.04Å; I209-V213 WeakPolarHBondContact O-CG2 3.48Å; I209-V213 PolarHBondContact O-N 3.38Å
210Q89.3Confident89.2Confident11 Ų1146.6 Ų46.65%0.05125%0.249CC..Hα-helixtrans-66.6-38.1-178-173.464.26.400112.3R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.26Å; R159-Q210 VanDerWaalsContact CG-NE2 3.31Å; L160-Q210 VanDerWaalsContact CA-NE2 3.28Å; L160-Q210 HydrophobicContact CB-CG 4.27Å; L160-Q210 HydrophobicContact CD1-CB 4.36Å; L160-Q210 HydrophobicContact CD1-CG 3.41Å; L160-Q210 VanDerWaalsContact CD1-CG 3.41Å; L160-Q210 HydrophobicContact CG-CG 4.43Å; V206-Q210 WeakPolarHBondContact O-CB 3.43Å; V206-Q210 PolarHBondContact O-N 3.38Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.37Å; Q210-Y212 VanDerWaalsContact C-N 3.31Å; Q210-Y212 PolarHBondContact O-N 2.97Å; Q210-F214 VanDerWaalsContact O-CB 3.29Å; Q210-F214 WeakPolarHBondContact O-CB 3.46Å; Q210-F214 PolarHBondContact O-N 2.83Å
211A89.5Confident88.6Confident1 Ų145.1 Ų45.11%0.00824%0.238CC..Hα-helixtrans-61.5-41.4172.100000111.6I79 A80 A207 L208 I209 T215I79-A211 HydrophobicContact CB-CB 4.04Å; I79-A211 HydrophobicContact CG2-CB 3.76Å; A80-A211 HydrophobicContact CB-CB 3.91Å; A207-A211 PolarHBondContact O-N 3.3Å; L208-A211 PolarHBondContact O-N 2.94Å; I209-A211 PolarHBondContact O-N 3.08Å; A211-T215 VanDerWaalsContact O-CG2 3.3Å; A211-T215 WeakPolarHBondContact O-CG2 3.36Å; A211-T215 PolarHBondContact O-N 3.5Å; A211-T215 PolarHBondContact O-OG1 3.4Å
212Y89.6Confident88.1Confident100 Ų10040.3 Ų40.339%0.39221%0.213SC..Hα-helixtrans-65.6-50.8176.7176.3-100.9000112.4I76 L208 I209 Q210 F214 T215 L216I76-Y212 HydrophobicContact CD1-CD2 4.18Å; L208-Y212 PolarHBondContact O-N 3.32Å; L208-Y212 VanDerWaalsContact O-N 3.17Å; I209-Y212 WeakPolarHBondContact O-CB 3.47Å; I209-Y212 PolarHBondContact O-N 3.46Å; I209-Y212 VanDerWaalsContact O-N 3.16Å; Q210-Y212 VanDerWaalsContact C-N 3.31Å; Q210-Y212 PolarHBondContact O-N 2.97Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 3.02Å; Y212-T215 PolarHBondContact O-N 3.2Å; Y212-T215 PolarHBondContact O-OG1 2.85Å; Y212-L216 HydrophobicContact CE1-CD1 3.67Å; Y212-L216 HydrophobicContact CE2-CD1 4.49Å; Y212-L216 WeakPolarHBondContact O-CB 3.43Å; Y212-L216 PolarHBondContact O-N 3.3Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.27Å
213V89.7Confident87.5Confident41 Ų4139.3 Ų39.325%0.24821%0.205CC..Hα-helixtrans-61.5-38.8-180172.30000111.2I209 L217I209-V213 HydrophobicContact CG2-CG2 4.04Å; I209-V213 WeakPolarHBondContact O-CG2 3.48Å; I209-V213 PolarHBondContact O-N 3.38Å; V213-L217 HydrophobicContact CG1-CD1 3.86Å; V213-L217 WeakPolarHBondContact O-CG 3.33Å; V213-L217 PolarHBondContact O-N 3.35Å
214F87.2Confident86.9Confident0 Ų042.3 Ų42.30%022%0.222CC..Hα-helixtrans-58-51.7176.4-173.4-75.4000111.2L75 I79 A105 L108 L156 L160 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.36Å; L75-F214 HydrophobicContact CD2-CD1 3.76Å; L75-F214 HydrophobicContact CD2-CE1 3.69Å; L75-F214 HydrophobicContact CG-CE1 4.35Å; I79-F214 HydrophobicContact CD1-CB 4.28Å; I79-F214 HydrophobicContact CD1-CD1 3.43Å; I79-F214 VanDerWaalsContact CD1-CD1 3.43Å; I79-F214 HydrophobicContact CD1-CD2 4.34Å; I79-F214 HydrophobicContact CD1-CE1 3.77Å; I79-F214 HydrophobicContact CD1-CG 3.77Å; I79-F214 HydrophobicContact CD1-CZ 4.34Å; A105-F214 HydrophobicContact CB-CE2 4.42Å; A105-F214 HydrophobicContact CB-CZ 4.19Å; L108-F214 HydrophobicContact CD1-CE1 4.11Å; L156-F214 HydrophobicContact CD1-CD2 4.23Å; L156-F214 HydrophobicContact CD1-CG 4.49Å; L156-F214 HydrophobicContact CD2-CD1 4.05Å; L156-F214 HydrophobicContact CD2-CD2 3.37Å; L156-F214 HydrophobicContact CD2-CE1 3.87Å; L156-F214 HydrophobicContact CD2-CE2 3.16Å; L156-F214 HydrophobicContact CD2-CG 3.82Å; L156-F214 HydrophobicContact CD2-CZ 3.43Å; L156-F214 VanDerWaalsContact CD2-CZ 3.43Å; L156-F214 HydrophobicContact CG-CD2 3.46Å; L156-F214 VanDerWaalsContact CG-CD2 3.46Å; L156-F214 HydrophobicContact CG-CE2 3.62Å; L156-F214 HydrophobicContact CG-CG 4.12Å; L156-F214 HydrophobicContact CG-CZ 4.38Å; L160-F214 HydrophobicContact CD2-CD2 4.43Å; Q210-F214 VanDerWaalsContact O-CB 3.29Å; Q210-F214 WeakPolarHBondContact O-CB 3.46Å; Q210-F214 PolarHBondContact O-N 2.83Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 3.02Å; F214-L217 PolarHBondContact O-N 3.23Å; F214-V218 HydrophobicContact CD1-CG2 4.31Å; F214-V218 HydrophobicContact CE1-CG2 4.1Å; F214-V218 WeakPolarHBondContact O-CG2 3.38Å; F214-V218 PolarHBondContact O-N 2.99Å
215T88.6Confident86Confident0 Ų039.9 Ų39.90%021%0.21CC..Hα-helixtrans-73.3-33.3-175.860.30000112.4M57 L75 I76 A211 Y212 V218 S219M57-T215 VanDerWaalsContact CE-OG1 3.31Å; M57-T215 WeakPolarHBondContact CE-OG1 3.41Å; L75-T215 HydrophobicContact CB-CG2 4.23Å; L75-T215 HydrophobicContact CD2-CG2 3.46Å; L75-T215 VanDerWaalsContact CD2-CG2 3.46Å; L75-T215 HydrophobicContact CG-CG2 3.96Å; I76-T215 VanDerWaalsContact CA-CG2 3.46Å; I76-T215 HydrophobicContact CB-CG2 3.49Å; I76-T215 VanDerWaalsContact CB-CG2 3.49Å; I76-T215 HydrophobicContact CG1-CG2 4Å; A211-T215 VanDerWaalsContact O-CG2 3.3Å; A211-T215 WeakPolarHBondContact O-CG2 3.36Å; A211-T215 PolarHBondContact O-N 3.5Å; A211-T215 PolarHBondContact O-OG1 3.4Å; Y212-T215 PolarHBondContact O-N 3.2Å; Y212-T215 PolarHBondContact O-OG1 2.85Å; T215-V218 PolarHBondContact O-N 3.24Å; T215-S219 WeakPolarHBondContact O-CB 3.33Å; T215-S219 PolarHBondContact O-N 2.99Å
216L87.5Confident84.9Confident51 Ų5139 Ų3927%0.26720%0.2SC..Hα-helixtrans-62.9-45.7174-175.4148.8000111.5Y212 V218 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.67Å; Y212-L216 HydrophobicContact CE2-CD1 4.49Å; Y212-L216 WeakPolarHBondContact O-CB 3.43Å; Y212-L216 PolarHBondContact O-N 3.3Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.27Å; L216-V218 PolarHBondContact O-N 3.43Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.35Å; L216-S219 PolarHBondContact O-N 3.15Å; L216-S219 VanDerWaalsContact O-N 3.12Å; L216-S219 PolarHBondContact O-OG 2.81Å; L216-L220 PolarHBondContact O-N 3.2Å
217L86.1Confident84.5Confident38 Ų3839 Ų3920%0.19920%0.198CC..Hα-helixtrans-62.8-43178-76.7165.6000111.7L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 3.84Å; L156-L217 HydrophobicContact CD1-CD1 3.38Å; L156-L217 HydrophobicContact CD1-CG 4.24Å; V213-L217 HydrophobicContact CG1-CD1 3.86Å; V213-L217 WeakPolarHBondContact O-CG 3.33Å; V213-L217 PolarHBondContact O-N 3.35Å; F214-L217 PolarHBondContact O-N 3.23Å; L217-S219 VanDerWaalsContact C-N 3.26Å; L217-S219 PolarHBondContact O-N 3.11Å; L217-L220 PolarHBondContact O-N 3.32Å; L217-Y221 HydrophobicContact CB-CE2 4.15Å; L217-Y221 WeakPolarHBondContact O-CD2 3.43Å; L217-Y221 WeakPolarHBondContact O-CE2 3.43Å; L217-Y221 PolarHBondContact O-N 3.48Å
218V85Confident84.3Confident6 Ų640.8 Ų40.84%0.03621%0.207CC..Hα-helixtrans-59.6-40.3173.2177.10000111.2L72 L108 L156 F214 T215 L216 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.24Å; L72-V218 HydrophobicContact CD2-CG1 3.87Å; L108-V218 HydrophobicContact CB-CG1 4.38Å; L156-V218 HydrophobicContact CD2-CG2 4.24Å; F214-V218 HydrophobicContact CD1-CG2 4.31Å; F214-V218 HydrophobicContact CE1-CG2 4.1Å; F214-V218 WeakPolarHBondContact O-CG2 3.38Å; F214-V218 PolarHBondContact O-N 2.99Å; T215-V218 PolarHBondContact O-N 3.24Å; L216-V218 PolarHBondContact O-N 3.43Å; V218-Y221 PolarHBondContact O-N 2.92Å; V218-L222 PolarHBondContact O-N 3.07Å
219S85.8Confident84Confident6 Ų636.9 Ų36.94%0.04219%0.186CC..Hα-helixtrans-66.9-37.917784.50000112.4H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact NE2-O 3.36Å; T215-S219 WeakPolarHBondContact O-CB 3.33Å; T215-S219 PolarHBondContact O-N 2.99Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.35Å; L216-S219 PolarHBondContact O-N 3.15Å; L216-S219 VanDerWaalsContact O-N 3.12Å; L216-S219 PolarHBondContact O-OG 2.81Å; L217-S219 VanDerWaalsContact C-N 3.26Å; L217-S219 PolarHBondContact O-N 3.11Å; S219-L222 WeakPolarHBondContact O-CB 3.4Å; S219-L222 PolarHBondContact O-N 3.45Å; S219-H223 PolarHBondContact O-N 3.4Å
220L83.9Confident83.6Confident76 Ų7633.4 Ų33.440%0.39817%0.168SC..Hα-helixtrans-65.9-41.5176.1-170.4149.3000111L216 L217 L222 H223 D224L216-L220 PolarHBondContact O-N 3.2Å; L217-L220 PolarHBondContact O-N 3.32Å; L220-L222 VanDerWaalsContact C-N 3.26Å; L220-L222 PolarHBondContact O-N 3.32Å; L220-H223 WeakPolarHBondContact O-CA 3.19Å; L220-H223 WeakPolarHBondContact O-CB 3.48Å; L220-H223 PolarHBondContact O-N 3.05Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.31Å; L220-D224 PolarHBondContact O-N 2.88Å
221Y79.6Confident83.2Confident20 Ų2034.8 Ų34.88%0.07818%0.175CC..Hα-helixtrans-60.9-38.1172.3-60.6-44.7000112.5Q152 L217 V218 H223 N225Q152-Y221 HydrophobicContact CG-CE1 4.3Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.43Å; Q152-Y221 PolarHBondContact NE2-OH 3.21Å; Q152-Y221 PolarHBondContact OE1-OH 3.36Å; L217-Y221 HydrophobicContact CB-CE2 4.15Å; L217-Y221 WeakPolarHBondContact O-CD2 3.43Å; L217-Y221 WeakPolarHBondContact O-CE2 3.43Å; L217-Y221 PolarHBondContact O-N 3.48Å; V218-Y221 PolarHBondContact O-N 2.92Å; Y221-H223 VanDerWaalsContact C-N 3.32Å; Y221-N225 VanDerWaalsContact O-CB 3.31Å; Y221-N225 WeakPolarHBondContact O-CB 3.42Å; Y221-N225 PolarHBondContact O-N 3.37Å; Y221-N225 VanDerWaalsContact O-N 3.16Å; Y221-N225 PolarHBondContact O-ND2 2.79Å
222L80.7Confident82.8Confident3 Ų337.1 Ų37.12%0.01619%0.186CC..Hα-helixtrans-64.1-42.3174.7-160.891000110.6G65 W68 A112 V218 S219 L220 N225 T226G65-L222 WeakPolarHBondContact O-CD2 3.35Å; W68-L222 HydrophobicContact CB-CD1 4.3Å; W68-L222 HydrophobicContact CB-CD2 3.66Å; W68-L222 HydrophobicContact CD2-CD1 3.43Å; W68-L222 VanDerWaalsContact CD2-CD1 3.43Å; W68-L222 HydrophobicContact CD2-CD2 4.42Å; W68-L222 HydrophobicContact CE3-CD1 3.55Å; W68-L222 HydrophobicContact CG-CD1 3.7Å; W68-L222 HydrophobicContact CG-CD2 3.82Å; W68-L222 HydrophobicContact CG-CG 4.43Å; W68-L222 HydrophobicContact CZ2-CD1 4.44Å; W68-L222 HydrophobicContact CZ3-CD1 4.18Å; A112-L222 HydrophobicContact CB-CD1 4.4Å; V218-L222 PolarHBondContact O-N 3.07Å; S219-L222 WeakPolarHBondContact O-CB 3.4Å; S219-L222 PolarHBondContact O-N 3.45Å; L220-L222 VanDerWaalsContact C-N 3.26Å; L220-L222 PolarHBondContact O-N 3.32Å; L222-N225 PolarHBondContact O-N 3.25Å; L222-T226 HydrophobicContact CG-CG2 4.31Å; L222-T226 WeakPolarHBondContact O-CB 3.43Å; L222-T226 WeakPolarHBondContact O-CG2 3.4Å; L222-T226 PolarHBondContact O-N 3.44Å; L222-T226 VanDerWaalsContact O-N 3.12Å; L222-T226 PolarHBondContact O-OG1 3.4Å
223H80.6Confident82.3Confident78 Ų7832.6 Ų32.636%0.36117%0.171SC..Hα-helixtrans-60-51.6177.7-173.785.5000111.6M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 3.12Å; M60-H223 PolarHBondContact O-ND1 3.49Å; S219-H223 PolarHBondContact O-N 3.4Å; L220-H223 WeakPolarHBondContact O-CA 3.19Å; L220-H223 WeakPolarHBondContact O-CB 3.48Å; L220-H223 PolarHBondContact O-N 3.05Å; Y221-H223 VanDerWaalsContact C-N 3.32Å; H223-N225 PolarHBondContact O-N 3.17Å; H223-T226 PolarHBondContact O-N 3.48Å; H223-T226 VanDerWaalsContact O-N 3.1Å; H223-T226 PolarHBondContact O-OG1 2.97Å
224D77.2Confident81.8Confident77 Ų7731.9 Ų31.941%0.41217%0.165SC..Hα-helixtrans-60.7-31.3-179.6-65.3-15.4000112.6L220L220-D224 WeakPolarHBondContact CD2-OD2 3.31Å; L220-D224 PolarHBondContact O-N 2.88Å
225N72.6Confident81.3Confident33 Ų3334.6 Ų34.618%0.17618%0.179CC..THydrogen-bonded Turntrans-90.7-1.7179.9-74.5-66.9000114.4G116 S119 Y221 L222 H223G116-N225 VanDerWaalsContact CA-O 3.22Å; G116-N225 WeakPolarHBondContact CA-O 3.27Å; S119-N225 PolarHBondContact OG-O 3.37Å; Y221-N225 VanDerWaalsContact O-CB 3.31Å; Y221-N225 WeakPolarHBondContact O-CB 3.42Å; Y221-N225 PolarHBondContact O-N 3.37Å; Y221-N225 VanDerWaalsContact O-N 3.16Å; Y221-N225 PolarHBondContact O-ND2 2.79Å; L222-N225 PolarHBondContact O-N 3.25Å; H223-N225 PolarHBondContact O-N 3.17Å
226T68.2Low80.7Confident27 Ų2737.7 Ų37.717%0.16620%0.196CC..  trans-107.60-178.154.50000115K120 L222 H223K120-T226 WeakPolarHBondContact CE-O 3.3Å; K120-T226 PolarHBondContact NZ-O 3.29Å; K120-T226 PolarHBondContact NZ-OXT 3.17Å; L222-T226 HydrophobicContact CG-CG2 4.31Å; L222-T226 WeakPolarHBondContact O-CB 3.43Å; L222-T226 WeakPolarHBondContact O-CG2 3.4Å; L222-T226 PolarHBondContact O-N 3.44Å; L222-T226 VanDerWaalsContact O-N 3.12Å; L222-T226 PolarHBondContact O-OG1 3.4Å; H223-T226 PolarHBondContact O-N 3.48Å; H223-T226 VanDerWaalsContact O-N 3.1Å; H223-T226 PolarHBondContact O-OG1 2.97Å

Retrieved 226 of 226 residues in 42.2 ms (Link to these results)