A0A075C7X8_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A075C7X8, Species HUMAN (Homo sapiens, Human), Gene ATP6, Length 226 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M54.7Low73Confident203 Ų20397.5 Ų97.5100%153%0.525SS*.  0-33.20-73.1174.4107.500112.9E3 N4M1-E3 PolarHBondContact O-N 3.43Å; M1-N4 PolarHBondContact O-N 3.28Å
2N51.3Low73.9Confident143 Ų14392.7 Ų92.777%0.76550%0.503SS*.Hα-helixtrans-60.7-36.4-178.4-82.118.2000115.6
3E56.9Low74.8Confident157 Ų15793.2 Ų93.273%0.73451%0.511SS*.Hα-helixtrans-75.4-22.2-178.3-67.9-86.6139.100113.3M1 L5 A7M1-E3 PolarHBondContact O-N 3.43Å; E3-L5 PolarHBondContact O-N 3.18Å; E3-A7 PolarHBondContact O-N 3.35Å
4N73.4Confident75.7Confident112 Ų11294.5 Ų94.560%0.59952%0.515SS*.Hα-helixtrans-74.3-28.9-171-67.86.2000112.6M1M1-N4 PolarHBondContact O-N 3.28Å
5L74.9Confident76.3Confident46 Ų4699.9 Ų99.924%0.24154%0.542CS..Hα-helixtrans-69.8-36.1-179.6-70.8172.5000112.2E3 H172 L173E3-L5 PolarHBondContact O-N 3.18Å; L5-H172 VanDerWaalsContact CD2-CE1 3.44Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.32Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.5Å; L5-L173 HydrophobicContact CD1-CD2 4.16Å; L5-L173 HydrophobicContact CD2-CD2 4.24Å
6F81.8Confident76.7Confident119 Ų11998.1 Ų98.152%0.52255%0.554SS.*Hα-helixtrans-92.7-9.7-177.5-66.6-75.7000113.7S8 F9 L169F6-S8 PolarHBondContact O-N 3.31Å; F6-S8 VanDerWaalsContact O-N 3.13Å; F6-F9 AromaticContact CD1-CD2 3.99Å; F6-F9 HydrophobicContact CD1-CD2 3.99Å; F6-F9 HydrophobicContact CD1-CE2 4.36Å; F6-F9 PolarHBondContact O-N 3.32Å; F6-L169 HydrophobicContact CD1-CD2 4.43Å; F6-L169 HydrophobicContact CE1-CD1 4.14Å; F6-L169 HydrophobicContact CE1-CD2 4.06Å; F6-L169 HydrophobicContact CZ-CD2 4.48Å
7A79.6Confident77.1Confident52 Ų5299.9 Ų99.943%0.4356%0.561SS.*G310 helixtrans-54.7-33.6-179.700000113.1E3 F9 I10E3-A7 PolarHBondContact O-N 3.35Å; A7-F9 VanDerWaalsContact C-N 3.25Å; A7-F9 PolarHBondContact O-N 3.37Å; A7-I10 PolarHBondContact O-N 2.93Å
8S79.8Confident77.6Confident57 Ų5798.7 Ų98.740%0.39956%0.558SS.*G310 helixtrans-69.5-18.6177.358.80000114.4F6 F92F6-S8 PolarHBondContact O-N 3.31Å; F6-S8 VanDerWaalsContact O-N 3.13Å; S8-F92 WeakPolarHBondContact O-CD2 2.94Å
9F82.3Confident78Confident22 Ų2294.5 Ų94.510%0.09654%0.537CS..G310 helixtrans-94.3-10.3178.4-58.5-70.5000112.8F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 AromaticContact CD1-CD2 3.99Å; F6-F9 HydrophobicContact CD1-CD2 3.99Å; F6-F9 HydrophobicContact CD1-CE2 4.36Å; F6-F9 PolarHBondContact O-N 3.32Å; A7-F9 VanDerWaalsContact C-N 3.25Å; A7-F9 PolarHBondContact O-N 3.37Å; F9-A11 PolarHBondContact O-N 3.48Å; F9-T96 HydrophobicContact CD1-CG2 3.87Å; F9-T96 HydrophobicContact CE1-CG2 3.75Å; F9-Q97 PolarHBondContact O-NE2 3.1Å; F9-T165 HydrophobicContact CD1-CG2 4.43Å; F9-T165 HydrophobicContact CE1-CG2 4.14Å; F9-H168 HydrophobicContact CE1-CB 4.09Å; F9-H168 HydrophobicContact CZ-CB 3.82Å; F9-L169 HydrophobicContact CE2-CD1 4.5Å; F9-L169 HydrophobicContact CE2-CD2 3.68Å; F9-L169 HydrophobicContact CE2-CG 3.8Å; F9-L169 HydrophobicContact CZ-CD2 4.3Å; F9-L169 HydrophobicContact CZ-CG 3.94Å
10I84.7Confident78.4Confident110 Ų11090.7 Ų90.756%0.56452%0.518SS*.SBendtrans-69.7129.3178.3-59174.5000108.4A7 P12A7-I10 PolarHBondContact O-N 2.93Å; I10-P12 WeakPolarHBondContact O-CD 3.08Å
11A83.4Confident78.7Confident52 Ų5290.2 Ų90.243%0.4352%0.516SS..PPolyproline II helixtrans-58.5121179.800000110.3F9 T13 F92F9-A11 PolarHBondContact O-N 3.48Å; A11-T13 PolarHBondContact O-N 3.14Å; A11-F92 HydrophobicContact CB-CZ 4.46Å
12P83.9Confident80.2Confident39 Ų3986.6 Ų86.625%0.25350%0.5SS..PPolyproline II helixtrans-71.1128.6-174.527-33.4000110.1I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.08Å; P12-A19 HydrophobicContact CB-CB 4.23Å; P12-A19 HydrophobicContact CG-CB 4.33Å; P12-A19 WeakPolarHBondContact O-CB 3.4Å; P12-A19 PolarHBondContact O-N 2.98Å; P12-I23 HydrophobicContact CG-CD1 3.69Å; P12-F92 HydrophobicContact CG-CB 4.4Å; P12-F92 HydrophobicContact CG-CD1 4.14Å; P12-F92 HydrophobicContact CG-CG 4.1Å
13T86.4Confident82Confident100 Ų10082.1 Ų82.161%0.61348%0.476SS*.EExtended strand (participates in β ladder)trans-118.6126.8170.853.80000108.6A11 L17A11-T13 PolarHBondContact O-N 3.14Å; T13-L17 CarbonylContact C-O 3.59Å; T13-L17 VanDerWaalsContact CA-O 3.29Å; T13-L17 WeakPolarHBondContact CA-O 3.44Å
14I86.6Confident83.5Confident111 Ų11177.1 Ų77.157%0.56945%0.454SS*.EExtended strand (participates in β ladder)trans-112.9121.6176.7-65.4172.7000106.5G16 L17 A19I14-G16 PolarHBondContact O-N 3.47Å; I14-G16 VanDerWaalsContact O-N 3.14Å; I14-L17 PolarHBondContact N-O 2.97Å; I14-L17 PolarHBondContact O-N 3.36Å; I14-A19 HydrophobicContact CB-CB 4.4Å; I14-A19 HydrophobicContact CD1-CB 3.82Å; I14-A19 HydrophobicContact CG1-CB 3.9Å
15L84.3Confident84.1Confident176 Ų17677.4 Ų77.492%0.92146%0.455SS*.THydrogen-bonded Turntrans5333.8-179.5-80.4128000113.8L17L15-L17 PolarHBondContact O-N 3.4Å
16G83.3Confident84.8Confident71 Ų7179.7 Ų79.773%0.73246%0.463SS*.THydrogen-bonded Turntrans78.4-2.6-178.200000115.1I14I14-G16 PolarHBondContact O-N 3.47Å; I14-G16 VanDerWaalsContact O-N 3.14Å
17L83.9Confident85.1Confident128 Ų12874.1 Ų74.167%0.6744%0.439SS*.EExtended strand (participates in β ladder)trans-92140.6171.8-67170.1000110.8T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.59Å; T13-L17 VanDerWaalsContact CA-O 3.29Å; T13-L17 WeakPolarHBondContact CA-O 3.44Å; I14-L17 PolarHBondContact N-O 2.97Å; I14-L17 PolarHBondContact O-N 3.36Å; L15-L17 PolarHBondContact O-N 3.4Å; L17-A19 PolarHBondContact O-N 3.3Å
18P85Confident85.3Confident78 Ų7875 Ų7551%0.50644%0.44SS..EExtended strand (participates in β ladder)trans-71101.1177.629-33.3000110.4A20 V21P18-A20 PolarHBondContact O-N 3Å; P18-V21 HydrophobicContact CB-CG2 4.39Å; P18-V21 HydrophobicContact CG-CG2 4.12Å; P18-V21 PolarHBondContact O-N 3.28Å
19A85.7Confident85.7Confident19 Ų1978.6 Ų78.616%0.15745%0.454CS..THydrogen-bonded Turntrans-67.2-18.5176.800000112.2P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.23Å; P12-A19 HydrophobicContact CG-CB 4.33Å; P12-A19 WeakPolarHBondContact O-CB 3.4Å; P12-A19 PolarHBondContact O-N 2.98Å; I14-A19 HydrophobicContact CB-CB 4.4Å; I14-A19 HydrophobicContact CD1-CB 3.82Å; I14-A19 HydrophobicContact CG1-CB 3.9Å; L17-A19 PolarHBondContact O-N 3.3Å; A19-V21 PolarHBondContact O-N 3Å; A19-V21 VanDerWaalsContact O-N 3.17Å; A19-L22 WeakPolarHBondContact O-CB 3.44Å; A19-L22 PolarHBondContact O-N 3.07Å; A19-L22 VanDerWaalsContact O-N 3.08Å; A19-I23 PolarHBondContact O-N 3.48Å
20A85.5Confident86Confident19 Ų1981.1 Ų81.116%0.15747%0.468CS..Hα-helixtrans-53.2-32.9173.200000113.3P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 3Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3.46Å; A20-I23 PolarHBondContact O-N 2.95Å; A20-I24 VanDerWaalsContact O-CG1 3.27Å; A20-I24 WeakPolarHBondContact O-CG1 3.39Å; A20-I24 PolarHBondContact O-N 3.44Å; A20-F92 HydrophobicContact CB-CE1 4.33Å
21V85.7Confident86.1Confident80 Ų8078.4 Ų78.449%0.48545%0.454SS..Hα-helixtrans-63.5-41.8178.6179.70000111.2P18 A19 I23 I24 L25P18-V21 HydrophobicContact CB-CG2 4.39Å; P18-V21 HydrophobicContact CG-CG2 4.12Å; P18-V21 PolarHBondContact O-N 3.28Å; A19-V21 PolarHBondContact O-N 3Å; A19-V21 VanDerWaalsContact O-N 3.17Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.19Å; V21-I24 PolarHBondContact O-N 3.11Å; V21-L25 HydrophobicContact CG1-CD1 4.1Å; V21-L25 WeakPolarHBondContact O-CG 3.3Å; V21-L25 PolarHBondContact O-N 3.28Å; V21-L25 VanDerWaalsContact O-N 3.08Å
22L86.2Confident86.2Confident127 Ų12778.7 Ų78.767%0.66545%0.452SS*.Hα-helixtrans-65.5-39.3178.8-166.8151.1000110.9A19 A20 L25 F26A19-L22 WeakPolarHBondContact O-CB 3.44Å; A19-L22 PolarHBondContact O-N 3.07Å; A19-L22 VanDerWaalsContact O-N 3.08Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3.46Å; L22-L25 PolarHBondContact O-N 2.84Å; L22-F26 PolarHBondContact O-N 2.85Å
23I87.9Confident86.4Confident50 Ų5083.5 Ų83.526%0.25648%0.481SS..Hα-helixtrans-65.5-41.6177.5-58.4172.1000110.9P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.69Å; A19-I23 PolarHBondContact O-N 3.48Å; A20-I23 PolarHBondContact O-N 2.95Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.19Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 2.94Å; I23-F26 WeakPolarHBondContact O-CB 3.26Å; I23-F26 PolarHBondContact O-N 2.96Å; I23-P27 VanDerWaalsContact O-CD 3.27Å; I23-P27 WeakPolarHBondContact O-CD 3.35Å; I23-F92 HydrophobicContact CD1-CB 4Å; I23-F92 HydrophobicContact CD1-CD1 3.85Å; I23-F92 HydrophobicContact CD1-CG 4.31Å; I23-F92 HydrophobicContact CG2-CD1 4.47Å; I23-F92 WeakPolarHBondContact CG2-O 3.12Å
24I88.5Confident86.4Confident52 Ų5280.6 Ų80.627%0.26746%0.464SS..Hα-helixtrans-65.3-32.3176.8-68.7164.5000111.9A20 V21 F26 P27 F78 P94 M100A20-I24 VanDerWaalsContact O-CG1 3.27Å; A20-I24 WeakPolarHBondContact O-CG1 3.39Å; A20-I24 PolarHBondContact O-N 3.44Å; V21-I24 PolarHBondContact O-N 3.11Å; I24-F26 VanDerWaalsContact C-N 3.35Å; I24-P27 WeakPolarHBondContact O-CD 3.43Å; I24-F78 HydrophobicContact CG2-CZ 4.3Å; I24-P94 HydrophobicContact CD1-CB 4.26Å; I24-P94 HydrophobicContact CG1-CB 3.7Å; I24-P94 HydrophobicContact CG1-CG 4.05Å; I24-M100 HydrophobicContact CD1-SD 4.48Å; I24-M100 HydrophobicContact CG2-CE 4.37Å
25L87.4Confident86.3Confident118 Ų11885.6 Ų85.662%0.61848%0.482SS*.Hα-helixtrans-81.7-11178.6-71.7171.8000114.1V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.1Å; V21-L25 WeakPolarHBondContact O-CG 3.3Å; V21-L25 PolarHBondContact O-N 3.28Å; V21-L25 VanDerWaalsContact O-N 3.08Å; L22-L25 PolarHBondContact O-N 2.84Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 2.94Å; L25-P28 WeakPolarHBondContact O-CD 3.22Å
26F88.8Confident86.4Confident93 Ų9386 Ų8641%0.40847%0.473SS..Hα-helixtrans-70.9-42.4-177-170.4-99.2000115L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 2.85Å; I23-F26 WeakPolarHBondContact O-CB 3.26Å; I23-F26 PolarHBondContact O-N 2.96Å; I24-F26 VanDerWaalsContact C-N 3.35Å; F26-L29 VanDerWaalsContact O-CB 3.3Å; F26-L29 WeakPolarHBondContact O-CB 3.44Å; F26-L29 PolarHBondContact O-N 3.45Å; F26-L30 HydrophobicContact CD1-CD1 4.46Å; F26-L30 HydrophobicContact CE1-CD1 4.16Å; F26-L30 HydrophobicContact CE1-CD2 4.31Å; F26-L30 HydrophobicContact CE1-CG 4.3Å; F26-L85 HydrophobicContact CD1-CD2 3.29Å; F26-L85 HydrophobicContact CE1-CD2 3.49Å; F26-L85 VanDerWaalsContact CE1-CD2 3.49Å
27P88.3Confident86.1Confident3 Ų391 Ų912%0.01948%0.482CS..Hα-helixtrans-57.2-42-179.9-1419.1000115.3I23 I24 L29 L30 T81 T82I23-P27 VanDerWaalsContact O-CD 3.27Å; I23-P27 WeakPolarHBondContact O-CD 3.35Å; I24-P27 WeakPolarHBondContact O-CD 3.43Å; P27-L29 PolarHBondContact O-N 2.88Å; P27-L30 WeakPolarHBondContact O-CB 3.46Å; P27-L30 PolarHBondContact O-N 3.29Å; P27-L30 VanDerWaalsContact O-N 3.08Å; P27-T81 WeakPolarHBondContact CB-OG1 3.31Å; P27-T82 HydrophobicContact CB-CG2 4.23Å; P27-T82 HydrophobicContact CG-CG2 3.44Å; P27-T82 VanDerWaalsContact CG-CG2 3.44Å
28P84.8Confident86.2Confident70 Ų7092.2 Ų92.246%0.45549%0.487SS..Hα-helixtrans-55.2-33.2173.4-27.232.9000114.2L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.22Å; P28-L30 PolarHBondContact O-N 3.45Å; P28-I31 PolarHBondContact O-N 3.12Å
29L88.1Confident86.4Confident133 Ų13389.7 Ų89.770%0.69647%0.47SS*.Hα-helixtrans-67.6-25179.9-172.665.7000112.5F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.3Å; F26-L29 WeakPolarHBondContact O-CB 3.44Å; F26-L29 PolarHBondContact O-N 3.45Å; P27-L29 PolarHBondContact O-N 2.88Å; L29-I31 PolarHBondContact O-N 3.25Å
30L87.5Confident86.6Confident75 Ų7594.2 Ų94.239%0.39349%0.491SS..THydrogen-bonded Turntrans-75.5-6.3178.8-65.9174.2000113.8F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CD1-CD1 4.46Å; F26-L30 HydrophobicContact CE1-CD1 4.16Å; F26-L30 HydrophobicContact CE1-CD2 4.31Å; F26-L30 HydrophobicContact CE1-CG 4.3Å; P27-L30 WeakPolarHBondContact O-CB 3.46Å; P27-L30 PolarHBondContact O-N 3.29Å; P27-L30 VanDerWaalsContact O-N 3.08Å; P28-L30 PolarHBondContact O-N 3.45Å; L30-P32 WeakPolarHBondContact O-CD 3.45Å; L30-Q46 PolarHBondContact O-NE2 3.43Å; L30-Q46 VanDerWaalsContact O-NE2 3.08Å; L30-L85 HydrophobicContact CD1-CD1 3.44Å; L30-L85 VanDerWaalsContact CD1-CD1 3.44Å; L30-L85 HydrophobicContact CD1-CD2 3.86Å; L30-L85 HydrophobicContact CD1-CG 4.13Å
31I87.7Confident86.8Confident52 Ų52103.4 Ų103.427%0.26752%0.522SS..SBendtrans-110.879.2-178.7-54.3157.3000108.3P28 L29 T33 I77P28-I31 PolarHBondContact O-N 3.12Å; L29-I31 PolarHBondContact O-N 3.25Å; I31-T33 PolarHBondContact O-N 3.29Å; I31-I77 HydrophobicContact CD1-CG2 3.31Å; I31-I77 HydrophobicContact CG1-CG2 4.39Å
32P85.8Confident86.9Confident59 Ų59103.7 Ų103.738%0.38352%0.52SS..  trans-68.5134.4179.927.3-33.6000111.1L30 L42 I43L30-P32 WeakPolarHBondContact O-CD 3.45Å; P32-L42 HydrophobicContact CG-CD2 3.7Å; P32-I43 HydrophobicContact CB-CD1 4.45Å; P32-I43 HydrophobicContact CG-CD1 4.37Å; P32-I43 HydrophobicContact CG-CG1 3.99Å
33T86.3Confident87.2Confident139 Ų13998.5 Ų98.585%0.85349%0.493SS*.  trans-96.5129.1171.656.10000110I31I31-T33 PolarHBondContact O-N 3.29Å
34S86.4Confident87.4Confident39 Ų3999.1 Ų99.127%0.27350%0.499SS..  trans-107.1143.9170.31700000111.1Y36 N39S34-Y36 PolarHBondContact OG-N 3.02Å; S34-Y36 VanDerWaalsContact OG-N 3.11Å; S34-N39 WeakPolarHBondContact CB-OD1 3.24Å; S34-N39 PolarHBondContact OG-OD1 3.1Å
35K85.1Confident87.5Confident216 Ų216100.8 Ų100.894%0.93951%0.511SS*.  trans-85.8-13.6174.4-63-178.7-178.1178.40113.1
36Y86.2Confident87.7Confident185 Ų18597.2 Ų97.273%0.72549%0.492SS*.SBendtrans-81.6153.7-175.5-60.7-74.7000112S34 N39S34-Y36 PolarHBondContact OG-N 3.02Å; S34-Y36 VanDerWaalsContact OG-N 3.11Å; Y36-N39 PolarHBondContact O-OD1 3.16Å
37L78.5Confident87.7Confident176 Ų17697.5 Ų97.592%0.92149%0.494SS*.SBendtrans-71.6-38.8177.1-170.772.6000111.6
38I85.3Confident87.9Confident154 Ų154105.3 Ų105.379%0.7952%0.523SS*.SBendtrans-101.1114.8174.6-58.9169.8000107.2
39N88.9Confident88.2Confident25 Ų25106.5 Ų106.513%0.13453%0.525CS..  trans-107.5166-173.3-75.8-19.5000112.6S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.24Å; S34-N39 PolarHBondContact OG-OD1 3.1Å; Y36-N39 PolarHBondContact O-OD1 3.16Å; N39-I43 HydrophobicContact CB-CB 3.96Å; N39-I43 HydrophobicContact CB-CG2 3.81Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.25Å; N39-T44 HydrophobicContact CB-CG2 4Å; N39-Q47 PolarHBondContact ND2-NE2 3.36Å
40N89.3Confident88.4Confident113 Ų113102.7 Ų102.760%0.60451%0.505SS*.  trans-62.3152.3171.4-166.51.1000110.9L42 I43 T44N40-L42 PolarHBondContact O-N 3.3Å; N40-L42 VanDerWaalsContact O-N 3.13Å; N40-I43 HydrophobicContact CB-CD1 4.46Å; N40-I43 PolarHBondContact O-N 2.83Å; N40-T44 PolarHBondContact O-N 3.09Å
41R89.3Confident88.6Confident213 Ų213106.4 Ų106.480%0.80452%0.518SS*.Hα-helixtrans-52.1-37.9-178.2-64.9-177.4-179-1800.4113T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.41Å; R41-T44 PolarHBondContact O-N 3.08Å; R41-T44 PolarHBondContact O-OG1 3.47Å; R41-T45 WeakPolarHBondContact O-CG2 3.47Å; R41-T45 PolarHBondContact O-N 3.44Å; R41-T45 VanDerWaalsContact O-N 3.07Å; R41-T45 PolarHBondContact O-OG1 3.14Å
42L89.7Confident88.8Confident86 Ų86107.1 Ų107.145%0.4552%0.522SS..Hα-helixtrans-66.6-41.2177.9-177150.5000111.9P32 N40 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.7Å; N40-L42 PolarHBondContact O-N 3.3Å; N40-L42 VanDerWaalsContact O-N 3.13Å; L42-T45 PolarHBondContact O-OG1 3.47Å; L42-Q46 VanDerWaalsContact CD2-CD 3.48Å; L42-Q46 HydrophobicContact CD2-CG 4.35Å; L42-Q46 WeakPolarHBondContact O-CB 3.27Å; L42-Q46 VanDerWaalsContact O-CG 3.23Å; L42-Q46 WeakPolarHBondContact O-CG 3.42Å; L42-Q46 PolarHBondContact O-N 2.99Å
43I91.4Very high88.9Confident18 Ų18105.6 Ų105.69%0.09251%0.512CS..Hα-helixtrans-71.7-36.6179.5-61.3174000109.9P32 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.45Å; P32-I43 HydrophobicContact CG-CD1 4.37Å; P32-I43 HydrophobicContact CG-CG1 3.99Å; N39-I43 HydrophobicContact CB-CB 3.96Å; N39-I43 HydrophobicContact CB-CG2 3.81Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.25Å; N40-I43 HydrophobicContact CB-CD1 4.46Å; N40-I43 PolarHBondContact O-N 2.83Å; I43-Q46 PolarHBondContact O-N 3.48Å; I43-Q47 HydrophobicContact CG2-CG 4.25Å; I43-Q47 WeakPolarHBondContact O-CB 3.02Å; I43-Q47 VanDerWaalsContact O-CG 3.23Å; I43-Q47 WeakPolarHBondContact O-CG 3.46Å; I43-Q47 PolarHBondContact O-N 3.2Å
44T91.4Very high89Confident63 Ų63100.3 Ų100.339%0.38748%0.481SS..Hα-helixtrans-67.6-40.3177.659.50000112.1N39 N40 R41 Q47 W48N39-T44 HydrophobicContact CB-CG2 4Å; N40-T44 PolarHBondContact O-N 3.09Å; R41-T44 WeakPolarHBondContact CA-OG1 3.41Å; R41-T44 PolarHBondContact O-N 3.08Å; R41-T44 PolarHBondContact O-OG1 3.47Å; T44-Q47 PolarHBondContact O-N 3.32Å; T44-W48 VanDerWaalsContact O-CB 3.31Å; T44-W48 WeakPolarHBondContact O-CB 3.46Å; T44-W48 PolarHBondContact O-N 2.86Å
45T91.2Very high89.2Confident86 Ų86105.7 Ų105.753%0.52850%0.499SS..Hα-helixtrans-66.9-40.1174.656.70000111.9R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.47Å; R41-T45 PolarHBondContact O-N 3.44Å; R41-T45 VanDerWaalsContact O-N 3.07Å; R41-T45 PolarHBondContact O-OG1 3.14Å; L42-T45 PolarHBondContact O-OG1 3.47Å; T45-W48 PolarHBondContact O-N 3.44Å; T45-L49 WeakPolarHBondContact O-CB 3.31Å; T45-L49 PolarHBondContact O-N 3.11Å
46Q90.9Very high89.3Confident44 Ų44101.3 Ų101.321%0.20648%0.482CS..Hα-helixtrans-60.9-50.1173.6-75.8176.9-14.200111.7L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 3.43Å; L30-Q46 VanDerWaalsContact O-NE2 3.08Å; L42-Q46 VanDerWaalsContact CD2-CD 3.48Å; L42-Q46 HydrophobicContact CD2-CG 4.35Å; L42-Q46 WeakPolarHBondContact O-CB 3.27Å; L42-Q46 VanDerWaalsContact O-CG 3.23Å; L42-Q46 WeakPolarHBondContact O-CG 3.42Å; L42-Q46 PolarHBondContact O-N 2.99Å; I43-Q46 PolarHBondContact O-N 3.48Å; Q46-W48 VanDerWaalsContact C-N 3.28Å; Q46-W48 PolarHBondContact O-N 3.33Å; Q46-L49 PolarHBondContact O-N 3.41Å; Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.42Å; Q46-I50 PolarHBondContact O-N 2.86Å
47Q90.4Very high89.2Confident98 Ų9893.2 Ų93.246%0.45845%0.451SS..Hα-helixtrans-60.5-38.9177.8-74.8175.7-15.400112.1N39 I43 T44 K51N39-Q47 PolarHBondContact ND2-NE2 3.36Å; I43-Q47 HydrophobicContact CG2-CG 4.25Å; I43-Q47 WeakPolarHBondContact O-CB 3.02Å; I43-Q47 VanDerWaalsContact O-CG 3.23Å; I43-Q47 WeakPolarHBondContact O-CG 3.46Å; I43-Q47 PolarHBondContact O-N 3.2Å; T44-Q47 PolarHBondContact O-N 3.32Å; Q47-K51 WeakPolarHBondContact O-CB 3.18Å; Q47-K51 PolarHBondContact O-N 3.14Å
48W92.4Very high89.5Confident167 Ų16785.8 Ų85.863%0.63341%0.412SS*.Hα-helixtrans-63.2-44.6175.3-178.882.2000111.9T44 T45 Q46 K51 L52T44-W48 VanDerWaalsContact O-CB 3.31Å; T44-W48 WeakPolarHBondContact O-CB 3.46Å; T44-W48 PolarHBondContact O-N 2.86Å; T45-W48 PolarHBondContact O-N 3.44Å; Q46-W48 VanDerWaalsContact C-N 3.28Å; Q46-W48 PolarHBondContact O-N 3.33Å; W48-K51 PolarHBondContact O-N 3.26Å; W48-L52 HydrophobicContact CD2-CD1 3.71Å; W48-L52 HydrophobicContact CD2-CG 4.37Å; W48-L52 VanDerWaalsContact CE2-CD1 3.48Å; W48-L52 HydrophobicContact CE3-CD1 3.74Å; W48-L52 HydrophobicContact CH2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CD1 3.36Å; W48-L52 HydrophobicContact CZ2-CG 4.41Å; W48-L52 HydrophobicContact CZ3-CD1 3.58Å; W48-L52 WeakPolarHBondContact O-CG 3.19Å; W48-L52 PolarHBondContact O-N 3.21Å
49L91.1Very high89.5Confident95 Ų9582.5 Ų82.550%0.49740%0.399SS..Hα-helixtrans-64.9-42177.9-169.1138.6000112.1T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.31Å; T45-L49 PolarHBondContact O-N 3.11Å; Q46-L49 PolarHBondContact O-N 3.41Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 2.94Å; L49-L52 PolarHBondContact O-N 2.78Å; L49-T53 HydrophobicContact CD2-CG2 4.33Å; L49-T53 WeakPolarHBondContact O-CG2 3.41Å; L49-T53 PolarHBondContact O-N 2.96Å; L49-T53 PolarHBondContact O-OG1 2.99Å
50I91.6Very high89Confident54 Ų5487.6 Ų87.628%0.27742%0.424SS..Hα-helixtrans-62.4-41.7174.9-66171.8000110.9Q46 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.42Å; Q46-I50 PolarHBondContact O-N 2.86Å; I50-T53 WeakPolarHBondContact CA-OG1 3.34Å; I50-T53 PolarHBondContact O-OG1 3.09Å; I50-T53 VanDerWaalsContact O-OG1 3.05Å; I50-S54 VanDerWaalsContact O-CB 3.28Å; I50-S54 WeakPolarHBondContact O-CB 3.41Å; I50-S54 PolarHBondContact O-N 2.75Å; I50-S54 PolarHBondContact O-OG 3.28Å; I50-V73 HydrophobicContact CG2-CG1 3.83Å; I50-I77 HydrophobicContact CD1-CD1 3.96Å; I50-I77 HydrophobicContact CG1-CD1 3.71Å
51K91.1Very high88.7Confident153 Ų15382.6 Ų82.667%0.66540%0.397SS*.Hα-helixtrans-66.3-39.6178.3-173.2175.5-179.2178.50112.2Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3.18Å; Q47-K51 PolarHBondContact O-N 3.14Å; W48-K51 PolarHBondContact O-N 3.26Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 2.94Å; K51-S54 WeakPolarHBondContact CA-OG 3.33Å; K51-S54 PolarHBondContact O-OG 3.28Å; K51-S54 VanDerWaalsContact O-OG 3.08Å; K51-K55 VanDerWaalsContact O-CB 3.23Å; K51-K55 WeakPolarHBondContact O-CB 3.42Å; K51-K55 PolarHBondContact O-N 3.14Å
52L91.6Very high88.3Confident67 Ų6778 Ų7835%0.35139%0.388SS..Hα-helixtrans-67.1-50177.8-75.9177.1000112.1W48 L49 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.71Å; W48-L52 HydrophobicContact CD2-CG 4.37Å; W48-L52 VanDerWaalsContact CE2-CD1 3.48Å; W48-L52 HydrophobicContact CE3-CD1 3.74Å; W48-L52 HydrophobicContact CH2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CD1 3.36Å; W48-L52 HydrophobicContact CZ2-CG 4.41Å; W48-L52 HydrophobicContact CZ3-CD1 3.58Å; W48-L52 WeakPolarHBondContact O-CG 3.19Å; W48-L52 PolarHBondContact O-N 3.21Å; L49-L52 PolarHBondContact O-N 2.78Å; L52-K55 PolarHBondContact O-N 3.33Å; L52-Q56 WeakPolarHBondContact O-CG 3.28Å; L52-Q56 PolarHBondContact O-N 3.33Å
53T88.6Confident87.8Confident26 Ų2679.2 Ų79.216%0.1640%0.399CS..Hα-helixtrans-61.7-47.2-179.4490000111.4L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 4.33Å; L49-T53 WeakPolarHBondContact O-CG2 3.41Å; L49-T53 PolarHBondContact O-N 2.96Å; L49-T53 PolarHBondContact O-OG1 2.99Å; I50-T53 WeakPolarHBondContact CA-OG1 3.34Å; I50-T53 PolarHBondContact O-OG1 3.09Å; I50-T53 VanDerWaalsContact O-OG1 3.05Å; T53-K55 PolarHBondContact O-N 3.2Å; T53-Q56 PolarHBondContact O-N 3.15Å; T53-M57 WeakPolarHBondContact O-CG 3.35Å; T53-M57 PolarHBondContact O-N 3.43Å
54S89.2Confident87.3Confident29 Ų2984.1 Ų84.120%0.20342%0.42CS..Hα-helixtrans-61.1-42.4175.659.70000112.5I50 K51 Q56 M58I50-S54 VanDerWaalsContact O-CB 3.28Å; I50-S54 WeakPolarHBondContact O-CB 3.41Å; I50-S54 PolarHBondContact O-N 2.75Å; I50-S54 PolarHBondContact O-OG 3.28Å; K51-S54 WeakPolarHBondContact CA-OG 3.33Å; K51-S54 PolarHBondContact O-OG 3.28Å; K51-S54 VanDerWaalsContact O-OG 3.08Å; S54-Q56 PolarHBondContact O-N 2.96Å; S54-M58 VanDerWaalsContact O-CB 3.27Å; S54-M58 WeakPolarHBondContact O-CB 3.4Å; S54-M58 WeakPolarHBondContact O-CG 3.22Å; S54-M58 PolarHBondContact O-N 2.96Å
55K89.3Confident86.6Confident152 Ų15281.1 Ų81.166%0.66140%0.401SS*.Hα-helixtrans-61-45.9176.7-174.5-179.8179-1750111.4K51 L52 T53 T59K51-K55 VanDerWaalsContact O-CB 3.23Å; K51-K55 WeakPolarHBondContact O-CB 3.42Å; K51-K55 PolarHBondContact O-N 3.14Å; L52-K55 PolarHBondContact O-N 3.33Å; T53-K55 PolarHBondContact O-N 3.2Å; K55-T59 WeakPolarHBondContact O-CG2 3.4Å; K55-T59 PolarHBondContact O-N 3.38Å
56Q86.9Confident86.3Confident124 Ų12483.6 Ų83.658%0.57940%0.401SS*.Hα-helixtrans-67.4-41.9-178.5-74.9-179.8-25.900112.9L52 T53 S54 T59L52-Q56 WeakPolarHBondContact O-CG 3.28Å; L52-Q56 PolarHBondContact O-N 3.33Å; T53-Q56 PolarHBondContact O-N 3.15Å; S54-Q56 PolarHBondContact O-N 2.96Å; Q56-T59 PolarHBondContact O-OG1 3.44Å
57M84.8Confident86Confident15 Ų1586.3 Ų86.37%0.07442%0.421CS..Hα-helixtrans-71.4-36.3179.2-68.8-177.7173.100112.6T53 T59 H61 I76 Y212 T215T53-M57 WeakPolarHBondContact O-CG 3.35Å; T53-M57 PolarHBondContact O-N 3.43Å; M57-T59 VanDerWaalsContact C-N 3.35Å; M57-T59 PolarHBondContact O-N 3.49Å; M57-H61 PolarHBondContact O-ND1 2.93Å; M57-I76 HydrophobicContact CE-CB 4.29Å; M57-I76 HydrophobicContact CE-CD1 3.46Å; M57-I76 VanDerWaalsContact CE-CD1 3.46Å; M57-I76 HydrophobicContact CE-CG1 4.43Å; M57-I76 HydrophobicContact CE-CG2 4.37Å; M57-Y212 HydrophobicContact CE-CD2 4.47Å; M57-T215 WeakPolarHBondContact CE-OG1 3.45Å
58M85.7Confident85.9Confident19 Ų1984.2 Ų84.29%0.09441%0.409CS..Hα-helixtrans-82.3-8.3-175.2-65.1-51.6117.700114.5S54 M60 H61 R66 S69 L72S54-M58 VanDerWaalsContact O-CB 3.27Å; S54-M58 WeakPolarHBondContact O-CB 3.4Å; S54-M58 WeakPolarHBondContact O-CG 3.22Å; S54-M58 PolarHBondContact O-N 2.96Å; M58-M60 PolarHBondContact O-N 3.11Å; M58-H61 PolarHBondContact O-N 3.37Å; M58-H61 HydrophobicContact SD-CB 4.47Å; M58-R66 HydrophobicContact SD-CG 4.29Å; M58-S69 VanDerWaalsContact SD-CB 3.57Å; M58-L72 HydrophobicContact CE-CB 4.5Å; M58-L72 HydrophobicContact CE-CD1 3.78Å
59T85.1Confident85.6Confident86 Ų8677.7 Ų77.753%0.52839%0.389SS..THydrogen-bonded Turntrans-62.8-34.1174.456.60000112K55 Q56 M57 H61K55-T59 WeakPolarHBondContact O-CG2 3.4Å; K55-T59 PolarHBondContact O-N 3.38Å; Q56-T59 PolarHBondContact O-OG1 3.44Å; M57-T59 VanDerWaalsContact C-N 3.35Å; M57-T59 PolarHBondContact O-N 3.49Å; T59-H61 VanDerWaalsContact C-N 3.32Å
60M78Confident85.6Confident131 Ų13180.2 Ų80.265%0.64540%0.402SS*.THydrogen-bonded Turntrans-79.5-12.4-178.8-60.2-67127.800113.2M58 H223M58-M60 PolarHBondContact O-N 3.11Å; M60-H223 PolarHBondContact O-CE1 2.79Å; M60-H223 PolarHBondContact O-ND1 3.3Å
61H82.9Confident85.6Confident8 Ų880.5 Ų80.54%0.03740%0.403CS..  trans-106.3139.7-168-72.678.4000113.8M57 M58 T59 R66 S219M57-H61 PolarHBondContact O-ND1 2.93Å; M58-H61 PolarHBondContact O-N 3.37Å; M58-H61 HydrophobicContact SD-CB 4.47Å; T59-H61 VanDerWaalsContact C-N 3.32Å; H61-R66 HydrophobicContact CB-CG 4.36Å; H61-R66 PolarHBondContact O-NE 2.92Å; H61-S219 PolarHBondContact CE1-O 3.2Å; H61-S219 PolarHBondContact NE2-O 3.08Å
62N80.7Confident85.6Confident118 Ų11873.3 Ų73.363%0.63137%0.371SS*.  trans-74.3171.4171.2-121.9-12.6000112K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.29Å; N62-K64 PolarHBondContact O-N 3.08Å; N62-G65 PolarHBondContact O-N 3.35Å; N62-R66 PolarHBondContact O-N 3.45Å
63T80.5Confident85.6Confident110 Ų11070.8 Ų70.868%0.67536%0.359SS*.THydrogen-bonded Turntrans-54.5-38.2-174.654.10000114.2
64K79Confident85.7Confident121 Ų12172.7 Ų72.753%0.52637%0.373SS..THydrogen-bonded Turntrans-67.4-45174.7-69-177.1-178.1176.50112.3N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.29Å; N62-K64 PolarHBondContact O-N 3.08Å; K64-R66 VanDerWaalsContact C-N 3.27Å; K64-R66 PolarHBondContact O-N 3.35Å; K64-T67 WeakPolarHBondContact O-CB 3.35Å; K64-T67 PolarHBondContact O-N 3.32Å; K64-T67 PolarHBondContact O-OG1 3.31Å
65G78.6Confident85.8Confident0 Ų072 Ų720%037%0.367CS..G310 helixtrans-63.4-31.7177.500000113N62 T67 W68N62-G65 PolarHBondContact O-N 3.35Å; G65-T67 PolarHBondContact O-N 3Å; G65-T67 VanDerWaalsContact O-N 3.15Å; G65-W68 PolarHBondContact O-N 2.87Å
66R83.4Confident85.9Confident138 Ų13865.5 Ų65.552%0.52134%0.339SS..G310 helixtrans-62.4-20.8175.9-71.2-179.8-174.5-175.50.8114.1M58 H61 N62 K64 W68 S69M58-R66 HydrophobicContact SD-CG 4.29Å; H61-R66 HydrophobicContact CB-CG 4.36Å; H61-R66 PolarHBondContact O-NE 2.92Å; N62-R66 PolarHBondContact O-N 3.45Å; K64-R66 VanDerWaalsContact C-N 3.27Å; K64-R66 PolarHBondContact O-N 3.35Å; R66-W68 PolarHBondContact O-N 3.02Å; R66-S69 WeakPolarHBondContact O-CB 3.42Å; R66-S69 PolarHBondContact O-N 3.48Å; R66-S69 VanDerWaalsContact O-N 3.1Å
67T86.1Confident86.1Confident101 Ų10161.2 Ų61.262%0.6232%0.32SS*.G310 helixtrans-63.6-25.4174.362.50000112.5K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.35Å; K64-T67 PolarHBondContact O-N 3.32Å; K64-T67 PolarHBondContact O-OG1 3.31Å; G65-T67 PolarHBondContact O-N 3Å; G65-T67 VanDerWaalsContact O-N 3.15Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 2.64Å
68W86.6Confident86.4Confident55 Ų5562.7 Ų62.721%0.20833%0.326CS..G310 helixtrans-85.61.3177.1-72.455.7000113.4G65 R66 L70 M71 L72 M115 L222G65-W68 PolarHBondContact O-N 2.87Å; R66-W68 PolarHBondContact O-N 3.02Å; W68-L70 VanDerWaalsContact C-N 3.31Å; W68-L70 PolarHBondContact O-N 3.19Å; W68-M71 HydrophobicContact CD2-CE 4.07Å; W68-M71 HydrophobicContact CE3-CE 3.05Å; W68-M71 HydrophobicContact CE3-SD 4.17Å; W68-M71 HydrophobicContact CH2-CE 4.35Å; W68-M71 HydrophobicContact CZ3-CE 3.23Å; W68-M71 HydrophobicContact CZ3-SD 4.09Å; W68-M71 PolarHBondContact O-N 3.17Å; W68-M71 VanDerWaalsContact O-N 3.1Å; W68-L72 PolarHBondContact O-N 3.35Å; W68-M115 HydrophobicContact CZ2-SD 3.92Å; W68-M115 PolarHBondContact NE1-SD 2.97Å; W68-L222 HydrophobicContact CB-CD2 3.48Å; W68-L222 VanDerWaalsContact CB-CD2 3.48Å; W68-L222 HydrophobicContact CD2-CD1 3.65Å; W68-L222 HydrophobicContact CD2-CD2 4.12Å; W68-L222 HydrophobicContact CE3-CD1 3.77Å; W68-L222 HydrophobicContact CE3-CD2 4.4Å; W68-L222 HydrophobicContact CG-CD1 3.96Å; W68-L222 HydrophobicContact CG-CD2 3.65Å; W68-L222 HydrophobicContact CG-CG 4.48Å; W68-L222 HydrophobicContact CZ3-CD1 4.35Å
69S87.4Confident86.7Confident30 Ų3061.8 Ų61.821%0.2132%0.322CS..Hα-helixtrans-54.1-46.4-178.1179.30000112.4M58 R66 T67 M71 L72 V73M58-S69 VanDerWaalsContact SD-CB 3.57Å; R66-S69 WeakPolarHBondContact O-CB 3.42Å; R66-S69 PolarHBondContact O-N 3.48Å; R66-S69 VanDerWaalsContact O-N 3.1Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 2.64Å; S69-M71 VanDerWaalsContact C-N 3.28Å; S69-M71 PolarHBondContact O-N 2.94Å; S69-L72 PolarHBondContact O-N 3.17Å; S69-V73 WeakPolarHBondContact O-CB 3.48Å; S69-V73 VanDerWaalsContact O-CG2 3.23Å; S69-V73 WeakPolarHBondContact O-CG2 3.2Å; S69-V73 PolarHBondContact O-N 3.02Å
70L90.7Very high86.9Confident148 Ų14859.1 Ų59.178%0.77531%0.309SS*.Hα-helixtrans-57.8-44.3179.9-173.876.3000111.3W68 S74W68-L70 VanDerWaalsContact C-N 3.31Å; W68-L70 PolarHBondContact O-N 3.19Å; L70-S74 WeakPolarHBondContact O-CB 3.49Å; L70-S74 PolarHBondContact O-N 3.36Å; L70-S74 PolarHBondContact O-OG 2.99Å
71M91.2Very high87.6Confident60 Ų6054.3 Ų54.330%0.29629%0.287SS..Hα-helixtrans-67.6-47-177.8-166.7-173.369.600111.1W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 4.07Å; W68-M71 HydrophobicContact CE3-CE 3.05Å; W68-M71 HydrophobicContact CE3-SD 4.17Å; W68-M71 HydrophobicContact CH2-CE 4.35Å; W68-M71 HydrophobicContact CZ3-CE 3.23Å; W68-M71 HydrophobicContact CZ3-SD 4.09Å; W68-M71 PolarHBondContact O-N 3.17Å; W68-M71 VanDerWaalsContact O-N 3.1Å; S69-M71 VanDerWaalsContact C-N 3.28Å; S69-M71 PolarHBondContact O-N 2.94Å; M71-V73 VanDerWaalsContact C-N 3.33Å; M71-V73 PolarHBondContact O-N 2.82Å; M71-S74 PolarHBondContact O-N 3.29Å; M71-S74 PolarHBondContact O-OG 3.41Å; M71-L75 VanDerWaalsContact O-CB 3.29Å; M71-L75 WeakPolarHBondContact O-CB 3.47Å; M71-L75 PolarHBondContact O-N 3.22Å; M71-L108 HydrophobicContact CE-CD2 3.27Å; M71-L108 HydrophobicContact CG-CD2 4.24Å; M71-L108 HydrophobicContact SD-CD2 3.49Å; M71-L108 WeakPolarHBondContact SD-CD2 3.39Å
72L90.7Very high87.9Confident1 Ų154.2 Ų54.21%0.00529%0.286CS..Hα-helixtrans-61.1-41.1178.1-71.1169.4000112.3M58 W68 S69 L75 I76 V218M58-L72 HydrophobicContact CE-CB 4.5Å; M58-L72 HydrophobicContact CE-CD1 3.78Å; W68-L72 PolarHBondContact O-N 3.35Å; S69-L72 PolarHBondContact O-N 3.17Å; L72-L75 WeakPolarHBondContact O-CB 3.35Å; L72-L75 PolarHBondContact O-N 3.12Å; L72-I76 PolarHBondContact O-N 3.34Å; L72-I76 VanDerWaalsContact O-N 3.09Å; L72-V218 HydrophobicContact CD2-CB 4.21Å; L72-V218 HydrophobicContact CD2-CG1 3.84Å
73V91.6Very high88.4Confident15 Ų1548.7 Ų48.79%0.09126%0.257CS..Hα-helixtrans-67.9-42.4176.9172.60000111.1I50 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.83Å; S69-V73 WeakPolarHBondContact O-CB 3.48Å; S69-V73 VanDerWaalsContact O-CG2 3.23Å; S69-V73 WeakPolarHBondContact O-CG2 3.2Å; S69-V73 PolarHBondContact O-N 3.02Å; M71-V73 VanDerWaalsContact C-N 3.33Å; M71-V73 PolarHBondContact O-N 2.82Å; V73-L75 VanDerWaalsContact C-N 3.29Å; V73-L75 PolarHBondContact O-N 3.08Å; V73-I76 VanDerWaalsContact O-CG2 3.28Å; V73-I76 WeakPolarHBondContact O-CG2 3.49Å; V73-I77 HydrophobicContact CG1-CD1 3.74Å; V73-I77 VanDerWaalsContact O-CD1 3.28Å; V73-I77 WeakPolarHBondContact O-CD1 3.22Å; V73-I77 WeakPolarHBondContact O-CG1 3.17Å; V73-I77 PolarHBondContact O-N 3.18Å
74S91.5Very high88.9Confident65 Ų6547.9 Ų47.946%0.45525%0.248SC..Hα-helixtrans-63-38.2176.370.90000112.2L70 M71 F78L70-S74 WeakPolarHBondContact O-CB 3.49Å; L70-S74 PolarHBondContact O-N 3.36Å; L70-S74 PolarHBondContact O-OG 2.99Å; M71-S74 PolarHBondContact O-N 3.29Å; M71-S74 PolarHBondContact O-OG 3.41Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.3Å; S74-F78 PolarHBondContact O-N 3.43Å
75L90.9Very high89.4Confident15 Ų1543.9 Ų43.98%0.07923%0.232CC..Hα-helixtrans-65-49.3179.8-175.978.7000111.9M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 VanDerWaalsContact O-CB 3.29Å; M71-L75 WeakPolarHBondContact O-CB 3.47Å; M71-L75 PolarHBondContact O-N 3.22Å; L72-L75 WeakPolarHBondContact O-CB 3.35Å; L72-L75 PolarHBondContact O-N 3.12Å; V73-L75 VanDerWaalsContact C-N 3.29Å; V73-L75 PolarHBondContact O-N 3.08Å; L75-I77 VanDerWaalsContact C-N 3.3Å; L75-I77 PolarHBondContact O-N 3.15Å; L75-F78 PolarHBondContact O-N 3.13Å; L75-I79 HydrophobicContact CD1-CD1 4.05Å; L75-I79 HydrophobicContact CG-CD1 3.92Å; L75-I79 WeakPolarHBondContact O-CG1 3.31Å; L75-I79 PolarHBondContact O-N 2.9Å; L75-L108 HydrophobicContact CD1-CD1 3.43Å; L75-L108 VanDerWaalsContact CD1-CD1 3.43Å; L75-L108 HydrophobicContact CD2-CD1 3.82Å; L75-L108 HydrophobicContact CG-CD1 4.28Å; L75-F214 HydrophobicContact CD1-CE1 4Å; L75-F214 HydrophobicContact CD2-CD1 3.87Å; L75-F214 HydrophobicContact CD2-CE1 3.79Å; L75-F214 HydrophobicContact CG-CD1 4.26Å; L75-F214 HydrophobicContact CG-CE1 4.14Å; L75-T215 HydrophobicContact CB-CG2 4.13Å; L75-T215 HydrophobicContact CD2-CG2 3.53Å; L75-T215 HydrophobicContact CG-CG2 3.77Å
76I91.6Very high89.8Confident16 Ų1643.9 Ų43.98%0.08223%0.232CC..Hα-helixtrans-63.4-40.9-179.3-170.1167.7000110.9M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CB 4.29Å; M57-I76 HydrophobicContact CE-CD1 3.46Å; M57-I76 VanDerWaalsContact CE-CD1 3.46Å; M57-I76 HydrophobicContact CE-CG1 4.43Å; M57-I76 HydrophobicContact CE-CG2 4.37Å; L72-I76 PolarHBondContact O-N 3.34Å; L72-I76 VanDerWaalsContact O-N 3.09Å; V73-I76 VanDerWaalsContact O-CG2 3.28Å; V73-I76 WeakPolarHBondContact O-CG2 3.49Å; I76-A80 WeakPolarHBondContact O-CB 3.21Å; I76-A80 PolarHBondContact O-N 3.29Å; I76-A211 HydrophobicContact CG1-CB 4.43Å; I76-Y212 HydrophobicContact CD1-CD2 4.19Å; I76-T215 VanDerWaalsContact CA-CG2 3.47Å; I76-T215 HydrophobicContact CB-CG2 3.47Å; I76-T215 VanDerWaalsContact CB-CG2 3.47Å; I76-T215 HydrophobicContact CG1-CG2 4.12Å
77I91.5Very high89.9Confident34 Ų3439.3 Ų39.317%0.17422%0.218CC..Hα-helixtrans-66.4-43.4179.1-63.6164.8000110.4I31 I50 V73 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.31Å; I31-I77 HydrophobicContact CG1-CG2 4.39Å; I50-I77 HydrophobicContact CD1-CD1 3.96Å; I50-I77 HydrophobicContact CG1-CD1 3.71Å; V73-I77 HydrophobicContact CG1-CD1 3.74Å; V73-I77 VanDerWaalsContact O-CD1 3.28Å; V73-I77 WeakPolarHBondContact O-CD1 3.22Å; V73-I77 WeakPolarHBondContact O-CG1 3.17Å; V73-I77 PolarHBondContact O-N 3.18Å; L75-I77 VanDerWaalsContact C-N 3.3Å; L75-I77 PolarHBondContact O-N 3.15Å; I77-T81 HydrophobicContact CG2-CG2 4.31Å; I77-T81 WeakPolarHBondContact O-CB 3.49Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.37Å; I77-T81 PolarHBondContact O-N 3.38Å; I77-T81 PolarHBondContact O-OG1 3.23Å
78F91.1Very high90Very high45 Ų4539.2 Ų39.220%0.19721%0.213CC..Hα-helixtrans-62.5-48.2178.9179.3-102.3000112.3I24 S74 L75 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.3Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.3Å; S74-F78 PolarHBondContact O-N 3.43Å; L75-F78 PolarHBondContact O-N 3.13Å; F78-T81 PolarHBondContact O-OG1 2.95Å; F78-T81 VanDerWaalsContact O-OG1 3.09Å; F78-T82 HydrophobicContact CD2-CG2 4.31Å; F78-T82 HydrophobicContact CE1-CG2 4.2Å; F78-T82 HydrophobicContact CE2-CG2 3.92Å; F78-T82 HydrophobicContact CZ-CG2 3.86Å; F78-T82 WeakPolarHBondContact O-CB 3.02Å; F78-T82 WeakPolarHBondContact O-CG2 3.21Å; F78-T82 PolarHBondContact O-N 3.16Å; F78-T82 PolarHBondContact O-OG1 2.96Å; F78-M100 HydrophobicContact CE1-CE 3.77Å; F78-M100 HydrophobicContact CZ-CE 3.75Å; F78-M104 HydrophobicContact CD1-SD 3.9Å; F78-M104 HydrophobicContact CE1-CE 4.34Å; F78-M104 HydrophobicContact CE1-SD 3.6Å; F78-M104 VanDerWaalsContact CE1-SD 3.6Å
79I91.1Very high89.8Confident1 Ų142 Ų421%0.00524%0.238CC..Hα-helixtrans-68.3-42.9-179.5-61.2170.3000110.7L75 T81 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 4.05Å; L75-I79 HydrophobicContact CG-CD1 3.92Å; L75-I79 WeakPolarHBondContact O-CG1 3.31Å; L75-I79 PolarHBondContact O-N 2.9Å; I79-T81 PolarHBondContact O-N 3.07Å; I79-T82 WeakPolarHBondContact CA-OG1 3.42Å; I79-T82 PolarHBondContact O-OG1 3.02Å; I79-N83 WeakPolarHBondContact O-CB 3.32Å; I79-N83 PolarHBondContact O-N 3.4Å; I79-N83 PolarHBondContact O-ND2 2.85Å; I79-L160 HydrophobicContact CG2-CD1 3.61Å; I79-A211 HydrophobicContact CB-CB 4.03Å; I79-A211 HydrophobicContact CG2-CB 3.71Å; I79-F214 HydrophobicContact CD1-CB 4.25Å; I79-F214 HydrophobicContact CD1-CD1 3.29Å; I79-F214 HydrophobicContact CD1-CD2 4.37Å; I79-F214 HydrophobicContact CD1-CE1 3.63Å; I79-F214 HydrophobicContact CD1-CG 3.73Å; I79-F214 HydrophobicContact CD1-CZ 4.3Å
80A90.8Very high89.6Confident30 Ų3050.3 Ų50.325%0.24827%0.273CS..Hα-helixtrans-63.1-43.8179.300000111.8I76 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.21Å; I76-A80 PolarHBondContact O-N 3.29Å; A80-L84 VanDerWaalsContact O-CB 3.28Å; A80-L84 WeakPolarHBondContact O-CB 3.46Å; A80-L84 PolarHBondContact O-N 2.94Å; A80-A211 HydrophobicContact CB-CB 3.92Å
81T91.1Very high89.3Confident30 Ų3044.9 Ų44.918%0.18425%0.248CC..Hα-helixtrans-68.6-47.6179.351.80000111.7P27 I77 F78 I79 N83 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.31Å; I77-T81 HydrophobicContact CG2-CG2 4.31Å; I77-T81 WeakPolarHBondContact O-CB 3.49Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.37Å; I77-T81 PolarHBondContact O-N 3.38Å; I77-T81 PolarHBondContact O-OG1 3.23Å; F78-T81 PolarHBondContact O-OG1 2.95Å; F78-T81 VanDerWaalsContact O-OG1 3.09Å; I79-T81 PolarHBondContact O-N 3.07Å; T81-N83 VanDerWaalsContact C-N 3.33Å; T81-N83 PolarHBondContact O-N 2.97Å; T81-L84 PolarHBondContact O-N 2.91Å; T81-L85 WeakPolarHBondContact O-CB 3.09Å; T81-L85 WeakPolarHBondContact O-CD1 3.49Å; T81-L85 PolarHBondContact O-N 3.24Å
82T90.9Very high88.9Confident5 Ų543.4 Ų43.43%0.03124%0.24CC..Hα-helixtrans-58.6-42177.3480000112.8P27 F78 I79 G86 P94P27-T82 HydrophobicContact CB-CG2 4.23Å; P27-T82 HydrophobicContact CG-CG2 3.44Å; P27-T82 VanDerWaalsContact CG-CG2 3.44Å; F78-T82 HydrophobicContact CD2-CG2 4.31Å; F78-T82 HydrophobicContact CE1-CG2 4.2Å; F78-T82 HydrophobicContact CE2-CG2 3.92Å; F78-T82 HydrophobicContact CZ-CG2 3.86Å; F78-T82 WeakPolarHBondContact O-CB 3.02Å; F78-T82 WeakPolarHBondContact O-CG2 3.21Å; F78-T82 PolarHBondContact O-N 3.16Å; F78-T82 PolarHBondContact O-OG1 2.96Å; I79-T82 WeakPolarHBondContact CA-OG1 3.42Å; I79-T82 PolarHBondContact O-OG1 3.02Å; T82-G86 PolarHBondContact O-N 3.08Å; T82-G86 VanDerWaalsContact O-N 3.09Å; T82-P94 HydrophobicContact CG2-CG 4.45Å
83N91.1Very high88.6Confident2 Ų243.5 Ų43.51%0.01124%0.241CC..Hα-helixtrans-69.5-41.8178.3-67.1-10.9000112.2I79 T81 G86 L87 T95 I164 A207I79-N83 WeakPolarHBondContact O-CB 3.32Å; I79-N83 PolarHBondContact O-N 3.4Å; I79-N83 PolarHBondContact O-ND2 2.85Å; T81-N83 VanDerWaalsContact C-N 3.33Å; T81-N83 PolarHBondContact O-N 2.97Å; N83-G86 WeakPolarHBondContact O-CA 3.29Å; N83-G86 PolarHBondContact O-N 3.36Å; N83-G86 VanDerWaalsContact O-N 3.15Å; N83-L87 PolarHBondContact O-N 3.17Å; N83-T95 WeakPolarHBondContact OD1-CB 3.27Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.37Å; N83-T95 PolarHBondContact OD1-OG1 3.2Å; N83-I164 HydrophobicContact CB-CD1 4.37Å; N83-I164 VanDerWaalsContact CG-CD1 3.44Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.41Å; N83-A207 HydrophobicContact CB-CB 3.94Å
84L89.9Confident88.1Confident94 Ų9443.2 Ų43.249%0.49224%0.239SC..Hα-helixtrans-66.5-42.8179.7-163.790.5000111.7A80 T81 G86 L87 I204A80-L84 VanDerWaalsContact O-CB 3.28Å; A80-L84 WeakPolarHBondContact O-CB 3.46Å; A80-L84 PolarHBondContact O-N 2.94Å; T81-L84 PolarHBondContact O-N 2.91Å; L84-G86 PolarHBondContact O-N 3.33Å; L84-L87 PolarHBondContact O-N 3.33Å; L84-I204 HydrophobicContact CD1-CG2 4.31Å
85L89.9Confident87.8Confident36 Ų3640.1 Ų40.119%0.18822%0.217CC..Hα-helixtrans-61.3-32173.4-90.786.2000111.8F26 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD2 3.29Å; F26-L85 HydrophobicContact CE1-CD2 3.49Å; F26-L85 VanDerWaalsContact CE1-CD2 3.49Å; L30-L85 HydrophobicContact CD1-CD1 3.44Å; L30-L85 VanDerWaalsContact CD1-CD1 3.44Å; L30-L85 HydrophobicContact CD1-CD2 3.86Å; L30-L85 HydrophobicContact CD1-CG 4.13Å; T81-L85 WeakPolarHBondContact O-CB 3.09Å; T81-L85 WeakPolarHBondContact O-CD1 3.49Å; T81-L85 PolarHBondContact O-N 3.24Å; L85-L87 PolarHBondContact O-N 3.32Å; L85-L88 VanDerWaalsContact O-CB 3.25Å; L85-L88 WeakPolarHBondContact O-CB 3.21Å; L85-L88 VanDerWaalsContact O-CG 3.31Å; L85-L88 WeakPolarHBondContact O-CG 3.36Å; L85-L88 PolarHBondContact O-N 3.46Å; L85-L88 VanDerWaalsContact O-N 3.15Å; L85-S91 PolarHBondContact O-OG 3.4Å
86G86Confident87.6Confident1 Ų139.9 Ų39.91%0.0122%0.216CC..Hα-helixtrans-58.7-31.7176.800000116.4T82 N83 L84 L88 S91 H168T82-G86 PolarHBondContact O-N 3.08Å; T82-G86 VanDerWaalsContact O-N 3.09Å; N83-G86 WeakPolarHBondContact O-CA 3.29Å; N83-G86 PolarHBondContact O-N 3.36Å; N83-G86 VanDerWaalsContact O-N 3.15Å; L84-G86 PolarHBondContact O-N 3.33Å; G86-L88 PolarHBondContact O-N 3.47Å; G86-S91 VanDerWaalsContact C-OG 3.27Å; G86-S91 WeakPolarHBondContact CA-OG 3.37Å; G86-S91 PolarHBondContact O-OG 3.35Å; G86-H168 PolarHBondContact O-CE1 3.31Å; G86-H168 PolarHBondContact O-NE2 3Å; G86-H168 VanDerWaalsContact O-NE2 3.09Å
87L87.1Confident87.5Confident41 Ų4142.3 Ų42.322%0.21523%0.227CC..THydrogen-bonded Turntrans-75.8-6.2-179.9-60.1174.7000112.6N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 3.17Å; L84-L87 PolarHBondContact O-N 3.33Å; L85-L87 PolarHBondContact O-N 3.32Å; L87-M171 HydrophobicContact CD2-CE 3.97Å; L87-E203 HydrophobicContact CD1-CG 4.49Å; L87-E203 HydrophobicContact CD2-CB 4.17Å; L87-E203 HydrophobicContact CD2-CG 3.42Å; L87-E203 VanDerWaalsContact CD2-CG 3.42Å; L87-I204 HydrophobicContact CD1-CB 4.2Å; L87-I204 HydrophobicContact CD1-CG1 3.6Å; L87-A207 HydrophobicContact CD1-CB 4.13Å
88L87.7Confident87.3Confident100 Ų10043.8 Ų43.852%0.52424%0.235SC..SBendtrans-67.4143.3174.3-65.2173.2000110.6L85 G86 H90 S91L85-L88 VanDerWaalsContact O-CB 3.25Å; L85-L88 WeakPolarHBondContact O-CB 3.21Å; L85-L88 VanDerWaalsContact O-CG 3.31Å; L85-L88 WeakPolarHBondContact O-CG 3.36Å; L85-L88 PolarHBondContact O-N 3.46Å; L85-L88 VanDerWaalsContact O-N 3.15Å; G86-L88 PolarHBondContact O-N 3.47Å; L88-H90 PolarHBondContact O-N 3.08Å; L88-S91 WeakPolarHBondContact O-CB 3.41Å; L88-S91 PolarHBondContact O-N 2.95Å; L88-S91 VanDerWaalsContact O-N 3.16Å; L88-S91 PolarHBondContact O-OG 2.78Å
89P82.1Confident87.1Confident112 Ų11245.7 Ų45.773%0.72725%0.254SS*.THydrogen-bonded Turntrans-59135-179.425-33.9000110.7S91P89-S91 PolarHBondContact O-N 3.28Å; P89-S91 VanDerWaalsContact O-N 3.11Å
90H82.4Confident87Confident205 Ų20547.6 Ų47.695%0.94926%0.263SS*.THydrogen-bonded Turntrans57.218.1-178.8-58-65.9000115.8L88L88-H90 PolarHBondContact O-N 3.08Å
91S84.5Confident86.9Confident35 Ų3546.2 Ų46.225%0.24525%0.252CS..  trans-81.9143.1172.173.60000111.1L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 3.4Å; G86-S91 VanDerWaalsContact C-OG 3.27Å; G86-S91 WeakPolarHBondContact CA-OG 3.37Å; G86-S91 PolarHBondContact O-OG 3.35Å; L88-S91 WeakPolarHBondContact O-CB 3.41Å; L88-S91 PolarHBondContact O-N 2.95Å; L88-S91 VanDerWaalsContact O-N 3.16Å; L88-S91 PolarHBondContact O-OG 2.78Å; P89-S91 PolarHBondContact O-N 3.28Å; P89-S91 VanDerWaalsContact O-N 3.11Å
92F82.9Confident86.7Confident28 Ų2846.9 Ų46.912%0.12325%0.254CS..  trans-90.6123.6171.2171.3-94.1000109.3S8 A11 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 2.94Å; A11-F92 HydrophobicContact CB-CZ 4.46Å; P12-F92 HydrophobicContact CG-CB 4.4Å; P12-F92 HydrophobicContact CG-CD1 4.14Å; P12-F92 HydrophobicContact CG-CG 4.1Å; A20-F92 HydrophobicContact CB-CE1 4.33Å; I23-F92 HydrophobicContact CD1-CB 4Å; I23-F92 HydrophobicContact CD1-CD1 3.85Å; I23-F92 HydrophobicContact CD1-CG 4.31Å; I23-F92 HydrophobicContact CG2-CD1 4.47Å; I23-F92 WeakPolarHBondContact CG2-O 3.12Å; F92-P94 HydrophobicContact CE1-CB 4.44Å; F92-P94 WeakPolarHBondContact O-CD 3.43Å; F92-Q97 HydrophobicContact CZ-CG 4.21Å
93T84.1Confident86.6Confident4 Ų449.7 Ų49.73%0.02528%0.278CS..  trans-93.1111.917829.70000111.2T95 T96 I164T93-T95 PolarHBondContact O-N 3.33Å; T93-T95 VanDerWaalsContact O-N 3.17Å; T93-T96 PolarHBondContact O-N 3.4Å; T93-T96 PolarHBondContact O-OG1 3.32Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.35Å; T93-I164 HydrophobicContact CG2-CG2 4.35Å
94P82.9Confident86.4Confident8 Ų851 Ų515%0.05229%0.285CS..G310 helixtrans-63.7-23.6176.826.2-33.5000112.6I24 T82 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.26Å; I24-P94 HydrophobicContact CG1-CB 3.7Å; I24-P94 HydrophobicContact CG1-CG 4.05Å; T82-P94 HydrophobicContact CG2-CG 4.45Å; F92-P94 HydrophobicContact CE1-CB 4.44Å; F92-P94 WeakPolarHBondContact O-CD 3.43Å; P94-T96 VanDerWaalsContact C-N 3.28Å; P94-T96 PolarHBondContact O-N 2.74Å; P94-Q97 PolarHBondContact O-N 3.34Å; P94-M100 WeakPolarHBondContact O-CB 3.29Å
95T85.3Confident86.2Confident1 Ų146.6 Ų46.61%0.00626%0.262CS..G310 helixtrans-76.2-8.4179.7500000114.7N83 T93 Q97 N101 L160 I164N83-T95 WeakPolarHBondContact OD1-CB 3.27Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.37Å; N83-T95 PolarHBondContact OD1-OG1 3.2Å; T93-T95 PolarHBondContact O-N 3.33Å; T93-T95 VanDerWaalsContact O-N 3.17Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; T95-N101 PolarHBondContact O-ND2 2.96Å; T95-L160 HydrophobicContact CG2-CD2 3.99Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.44Å
96T85.7Confident86.2Confident9 Ų948.7 Ų48.76%0.05527%0.272CS..G310 helixtrans-73.9-26.7169.756.10000112.4F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.87Å; F9-T96 HydrophobicContact CE1-CG2 3.75Å; T93-T96 PolarHBondContact O-N 3.4Å; T93-T96 PolarHBondContact O-OG1 3.32Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.35Å; P94-T96 VanDerWaalsContact C-N 3.28Å; P94-T96 PolarHBondContact O-N 2.74Å; T96-L98 PolarHBondContact O-N 3.05Å; T96-T161 WeakPolarHBondContact O-CG2 3.3Å; T96-I164 HydrophobicContact CG2-CB 4.33Å; T96-I164 HydrophobicContact CG2-CG2 3.63Å; T96-T165 HydrophobicContact CG2-CG2 3.76Å
97Q89.1Confident86.4Confident67 Ų6752.5 Ų52.531%0.31330%0.297SS..SBendtrans-77.9120.8178.3-66.1-63.3-30.400109.9F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 3.1Å; F92-Q97 HydrophobicContact CZ-CG 4.21Å; P94-Q97 PolarHBondContact O-N 3.34Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; Q97-S99 PolarHBondContact O-N 2.93Å; Q97-M100 PolarHBondContact O-N 3.41Å; Q97-M100 VanDerWaalsContact O-N 3.11Å; Q97-N101 PolarHBondContact O-N 2.91Å
98L87.1Confident86.4Confident66 Ų6651.4 Ų51.435%0.34629%0.291SS..Hα-helixtrans-57.9-33.8178.5-177.363.8000112.1T96 M100 N101 L102 M154 A157 V158 T161T96-L98 PolarHBondContact O-N 3.05Å; L98-M100 VanDerWaalsContact C-N 3.31Å; L98-M100 PolarHBondContact O-N 3.32Å; L98-N101 PolarHBondContact O-N 3.3Å; L98-L102 WeakPolarHBondContact O-CB 3.37Å; L98-L102 PolarHBondContact O-N 3.1Å; L98-M154 HydrophobicContact CD2-CE 4.13Å; L98-A157 HydrophobicContact CD1-CB 4.36Å; L98-V158 HydrophobicContact CD1-CG2 3.9Å; L98-T161 VanDerWaalsContact CA-CG2 3.43Å; L98-T161 HydrophobicContact CB-CG2 4.01Å; L98-T161 HydrophobicContact CD1-CG2 3.99Å
99S88.1Confident86.4Confident84 Ų8448.4 Ų48.459%0.58727%0.273SS*.Hα-helixtrans-56.3-43.4176.756.20000112.6Q97 A103Q97-S99 PolarHBondContact O-N 2.93Å; S99-A103 WeakPolarHBondContact O-CB 3.48Å; S99-A103 PolarHBondContact O-N 3.25Å
100M87.9Confident86.6Confident41 Ų4144.3 Ų44.320%0.20225%0.249CC..Hα-helixtrans-67.5-47.1-178.8-175.756.1-172.600111.2I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-SD 4.48Å; I24-M100 HydrophobicContact CG2-CE 4.37Å; F78-M100 HydrophobicContact CE1-CE 3.77Å; F78-M100 HydrophobicContact CZ-CE 3.75Å; P94-M100 WeakPolarHBondContact O-CB 3.29Å; Q97-M100 PolarHBondContact O-N 3.41Å; Q97-M100 VanDerWaalsContact O-N 3.11Å; L98-M100 VanDerWaalsContact C-N 3.31Å; L98-M100 PolarHBondContact O-N 3.32Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.1Å; M100-A103 PolarHBondContact O-N 3.48Å; M100-M104 HydrophobicContact CE-CE 3.97Å; M100-M104 HydrophobicContact CE-CG 4.41Å; M100-M104 HydrophobicContact CE-SD 4.03Å; M100-M104 HydrophobicContact CG-CE 3.83Å; M100-M104 WeakPolarHBondContact O-CE 3.23Å; M100-M104 PolarHBondContact O-N 2.88Å; M100-M104 VanDerWaalsContact O-N 3.08Å; M100-M104 HydrophobicContact SD-CE 4.47Å
101N88.5Confident86.7Confident1 Ų135.6 Ų35.61%0.00521%0.214CC..Hα-helixtrans-67.5-37-179.3-65.4-10.3000111.9T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 2.96Å; Q97-N101 PolarHBondContact O-N 2.91Å; L98-N101 PolarHBondContact O-N 3.3Å; N101-M104 PolarHBondContact O-N 3.38Å; N101-A105 VanDerWaalsContact O-CB 3.3Å; N101-A105 WeakPolarHBondContact O-CB 3.42Å; N101-A105 PolarHBondContact O-N 3.27Å; N101-A157 HydrophobicContact CB-CB 3.91Å; N101-A157 PolarHBondContact ND2-O 3.48Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.4Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.1Å; N101-T161 HydrophobicContact CB-CG2 4.34Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.43Å; N101-T161 PolarHBondContact ND2-N 3.34Å
102L86.9Confident86.7Confident44 Ų4434 Ų3423%0.2320%0.203CC..Hα-helixtrans-70.5-38.6177.8-157.869.2000111.6L98 M100 M104 A105 I106 M154 A157L98-L102 WeakPolarHBondContact O-CB 3.37Å; L98-L102 PolarHBondContact O-N 3.1Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.1Å; L102-M104 PolarHBondContact O-N 3.11Å; L102-A105 PolarHBondContact O-N 3.4Å; L102-I106 HydrophobicContact CD1-CD1 3.99Å; L102-I106 HydrophobicContact CD1-CG1 4.1Å; L102-I106 HydrophobicContact CD2-CD1 3.96Å; L102-I106 HydrophobicContact CG-CD1 3.55Å; L102-I106 HydrophobicContact CG-CG1 4.01Å; L102-I106 WeakPolarHBondContact O-CG1 3.17Å; L102-I106 PolarHBondContact O-N 3.45Å; L102-M154 HydrophobicContact CD1-SD 3.35Å; L102-M154 WeakPolarHBondContact CD1-SD 3.47Å; L102-M154 HydrophobicContact CD2-SD 4.19Å; L102-M154 HydrophobicContact CG-SD 4.43Å; L102-A157 HydrophobicContact CB-CB 4.43Å; L102-A157 HydrophobicContact CD1-CB 3.85Å
103A89.1Confident86.8Confident65 Ų6533.3 Ų33.354%0.53720%0.201SC..Hα-helixtrans-62.9-28.8172.900000112.8S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.48Å; S99-A103 PolarHBondContact O-N 3.25Å; M100-A103 PolarHBondContact O-N 3.48Å; A103-P107 WeakPolarHBondContact O-CD 3.46Å; A103-P107 WeakPolarHBondContact O-CG 3.32Å
104M86.3Confident86.8Confident29 Ų2937.8 Ų37.814%0.14322%0.224CC..Hα-helixtrans-80.2-45.7171.2-70.9-176.2-78.200112.3F78 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.9Å; F78-M104 HydrophobicContact CE1-CE 4.34Å; F78-M104 HydrophobicContact CE1-SD 3.6Å; F78-M104 VanDerWaalsContact CE1-SD 3.6Å; M100-M104 HydrophobicContact CE-CE 3.97Å; M100-M104 HydrophobicContact CE-CG 4.41Å; M100-M104 HydrophobicContact CE-SD 4.03Å; M100-M104 HydrophobicContact CG-CE 3.83Å; M100-M104 WeakPolarHBondContact O-CE 3.23Å; M100-M104 PolarHBondContact O-N 2.88Å; M100-M104 VanDerWaalsContact O-N 3.08Å; M100-M104 HydrophobicContact SD-CE 4.47Å; N101-M104 PolarHBondContact O-N 3.38Å; L102-M104 PolarHBondContact O-N 3.11Å; M104-L108 WeakPolarHBondContact O-CD1 3.16Å; M104-L108 VanDerWaalsContact O-CG 3.22Å; M104-L108 WeakPolarHBondContact O-CG 3.09Å
105A87.3Confident86.8Confident2 Ų239.6 Ų39.62%0.01723%0.232CC..Hα-helixtrans-70.6-45-171.600000113.5N101 L102 L108 W109 L156 A157 F214N101-A105 VanDerWaalsContact O-CB 3.3Å; N101-A105 WeakPolarHBondContact O-CB 3.42Å; N101-A105 PolarHBondContact O-N 3.27Å; L102-A105 PolarHBondContact O-N 3.4Å; A105-L108 PolarHBondContact O-N 3.28Å; A105-W109 WeakPolarHBondContact O-CB 3.3Å; A105-W109 PolarHBondContact O-N 3.05Å; A105-L156 HydrophobicContact CB-CD2 4.4Å; A105-A157 HydrophobicContact CB-CB 4.21Å; A105-F214 HydrophobicContact CB-CE2 4.35Å; A105-F214 HydrophobicContact CB-CZ 4.17Å
106I88.6Confident86.5Confident80 Ų8039.6 Ų39.641%0.4123%0.232SC..Hα-helixtrans-62.7-49.9-175-65.9176.2000111.8L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.99Å; L102-I106 HydrophobicContact CD1-CG1 4.1Å; L102-I106 HydrophobicContact CD2-CD1 3.96Å; L102-I106 HydrophobicContact CG-CD1 3.55Å; L102-I106 HydrophobicContact CG-CG1 4.01Å; L102-I106 WeakPolarHBondContact O-CG1 3.17Å; L102-I106 PolarHBondContact O-N 3.45Å; I106-L108 PolarHBondContact O-N 3.27Å; I106-W109 PolarHBondContact O-N 3.48Å; I106-A110 WeakPolarHBondContact O-CB 3.48Å; I106-A110 PolarHBondContact O-N 2.99Å
107P89.9Confident86.2Confident80 Ų8042.9 Ų42.952%0.51925%0.246SC..Hα-helixtrans-65.3-37.4-178.9-2436.7000113.3A103 G111A103-P107 WeakPolarHBondContact O-CD 3.46Å; A103-P107 WeakPolarHBondContact O-CG 3.32Å; P107-G111 PolarHBondContact O-N 2.89Å
108L88.2Confident85.8Confident18 Ų1849.9 Ų49.99%0.09427%0.27CS..Hα-helixtrans-65.1-46.6178.1-70.5168.9000111.5M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.27Å; M71-L108 HydrophobicContact CG-CD2 4.24Å; M71-L108 HydrophobicContact SD-CD2 3.49Å; M71-L108 WeakPolarHBondContact SD-CD2 3.39Å; L75-L108 HydrophobicContact CD1-CD1 3.43Å; L75-L108 VanDerWaalsContact CD1-CD1 3.43Å; L75-L108 HydrophobicContact CD2-CD1 3.82Å; L75-L108 HydrophobicContact CG-CD1 4.28Å; M104-L108 WeakPolarHBondContact O-CD1 3.16Å; M104-L108 VanDerWaalsContact O-CG 3.22Å; M104-L108 WeakPolarHBondContact O-CG 3.09Å; A105-L108 PolarHBondContact O-N 3.28Å; I106-L108 PolarHBondContact O-N 3.27Å; L108-G111 PolarHBondContact O-N 3.3Å; L108-A112 PolarHBondContact O-N 3.22Å; L108-A112 VanDerWaalsContact O-N 3.11Å; L108-F214 HydrophobicContact CD1-CE1 4.12Å; L108-V218 HydrophobicContact CB-CG1 4.32Å
109W87Confident85.1Confident37 Ų3749.1 Ų49.114%0.1427%0.27CS..Hα-helixtrans-64.3-47.7175.9171.789.7000111.5A105 I106 G111 A112 V113 L149 L150 P153A105-W109 WeakPolarHBondContact O-CB 3.3Å; A105-W109 PolarHBondContact O-N 3.05Å; I106-W109 PolarHBondContact O-N 3.48Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 2.97Å; W109-A112 PolarHBondContact O-N 3.39Å; W109-A112 VanDerWaalsContact O-N 3.14Å; W109-V113 HydrophobicContact CD2-CG2 4.09Å; W109-V113 HydrophobicContact CH2-CG2 4.42Å; W109-V113 HydrophobicContact CZ2-CG2 3.91Å; W109-V113 WeakPolarHBondContact O-CG2 3.46Å; W109-V113 PolarHBondContact O-N 3.47Å; W109-L149 HydrophobicContact CH2-CD2 4.19Å; W109-L149 HydrophobicContact CZ2-CD2 3.49Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.49Å; W109-L149 HydrophobicContact CZ2-CG 3.89Å; W109-L149 VanDerWaalsContact CZ2-O 3.28Å; W109-L149 WeakPolarHBondContact CZ2-O 3.5Å; W109-L149 PolarHBondContact NE1-O 3.15Å; W109-L150 HydrophobicContact CH2-CD2 3.71Å; W109-L150 HydrophobicContact CZ2-CD2 4.25Å; W109-P153 HydrophobicContact CB-CB 3.87Å; W109-P153 HydrophobicContact CB-CG 4.35Å; W109-P153 HydrophobicContact CD2-CB 4.29Å; W109-P153 HydrophobicContact CD2-CG 3.78Å; W109-P153 HydrophobicContact CE3-CG 4.26Å; W109-P153 HydrophobicContact CG-CB 3.84Å; W109-P153 HydrophobicContact CG-CG 3.8Å
110A86.3Confident84.4Confident27 Ų2749.4 Ų49.422%0.22326%0.26CS..Hα-helixtrans-60.4-40.9179.200000110.9I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.48Å; I106-A110 PolarHBondContact O-N 2.99Å; A110-V113 PolarHBondContact O-N 2.85Å; A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.36Å; A110-I114 WeakPolarHBondContact O-CD1 3.48Å; A110-I114 WeakPolarHBondContact O-CG1 3.36Å; A110-I114 PolarHBondContact O-N 3.38Å
111G86.1Confident83.5Confident22 Ų2252.6 Ų52.623%0.22728%0.277CS..Hα-helixtrans-59.8-45.2174.800000113.1P107 L108 W109 M115P107-G111 PolarHBondContact O-N 2.89Å; L108-G111 PolarHBondContact O-N 3.3Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 2.97Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.27Å; G111-M115 PolarHBondContact O-N 3.42Å
112A84.2Confident82.5Confident1 Ų161.7 Ų61.71%0.00832%0.316CS..Hα-helixtrans-63.5-45.7177.100000112L108 W109 M115 G116 L222L108-A112 PolarHBondContact O-N 3.22Å; L108-A112 VanDerWaalsContact O-N 3.11Å; W109-A112 PolarHBondContact O-N 3.39Å; W109-A112 VanDerWaalsContact O-N 3.14Å; A112-M115 PolarHBondContact O-N 3.37Å; A112-G116 PolarHBondContact O-N 2.92Å; A112-L222 HydrophobicContact CB-CD1 4.4Å
113V84.1Confident81.7Confident14 Ų1464.3 Ų64.39%0.08533%0.331CS..Hα-helixtrans-64.6-46.7178.9172.90000111.4W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.09Å; W109-V113 HydrophobicContact CH2-CG2 4.42Å; W109-V113 HydrophobicContact CZ2-CG2 3.91Å; W109-V113 WeakPolarHBondContact O-CG2 3.46Å; W109-V113 PolarHBondContact O-N 3.47Å; A110-V113 PolarHBondContact O-N 2.85Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.16Å; V113-G116 PolarHBondContact O-N 3.06Å; V113-G116 VanDerWaalsContact O-N 3.14Å; V113-F117 HydrophobicContact CG1-CD2 3.63Å; V113-F117 HydrophobicContact CG1-CE2 3.38Å; V113-F117 WeakPolarHBondContact O-CD2 3.32Å; V113-F117 PolarHBondContact O-N 3.18Å
114I85.1Confident80.6Confident98 Ų9862 Ų6250%0.50331%0.312SS..Hα-helixtrans-61-39.3177-68.3163.8000110.6A110 F117 R118A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.36Å; A110-I114 WeakPolarHBondContact O-CD1 3.48Å; A110-I114 WeakPolarHBondContact O-CG1 3.36Å; A110-I114 PolarHBondContact O-N 3.38Å; I114-F117 PolarHBondContact O-N 2.84Å; I114-R118 HydrophobicContact CG2-CG 4.41Å; I114-R118 WeakPolarHBondContact O-CB 3.37Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.28Å; I114-R118 PolarHBondContact O-N 2.69Å
115M82.6Confident79.6Confident45 Ų4565.2 Ų65.222%0.22233%0.329CS..Hα-helixtrans-65.6-37.9176.3-172.4169.2-179.400112.3W68 G111 A112 V113 R118 S119 L222 T226W68-M115 HydrophobicContact CZ2-SD 3.92Å; W68-M115 PolarHBondContact NE1-SD 2.97Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.27Å; G111-M115 PolarHBondContact O-N 3.42Å; A112-M115 PolarHBondContact O-N 3.37Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.16Å; M115-R118 PolarHBondContact O-N 3.12Å; M115-S119 WeakPolarHBondContact O-CB 3.46Å; M115-S119 PolarHBondContact O-N 3.28Å; M115-S119 PolarHBondContact O-OG 2.89Å; M115-S119 VanDerWaalsContact O-OG 3.09Å; M115-L222 HydrophobicContact SD-CD1 4.29Å; M115-T226 HydrophobicContact CE-CG2 4.43Å
116G78.7Confident78.5Confident1 Ų167.8 Ų67.81%0.0135%0.35CS..Hα-helixtrans-61.3-50.9173.100000112.7A112 V113 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 2.92Å; V113-G116 PolarHBondContact O-N 3.06Å; V113-G116 VanDerWaalsContact O-N 3.14Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 2.86Å; G116-S119 PolarHBondContact O-N 3.47Å; G116-S119 PolarHBondContact O-OG 3.03Å; G116-K120 PolarHBondContact O-N 3.3Å; G116-N225 VanDerWaalsContact CA-O 3.22Å; G116-N225 WeakPolarHBondContact CA-O 3.35Å
117F80Confident77.5Confident79 Ų7969.3 Ų69.335%0.34636%0.355SS..Hα-helixtrans-60.4-39.3175.8-77.2-65.5000112.3V113 I114 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.63Å; V113-F117 HydrophobicContact CG1-CE2 3.38Å; V113-F117 WeakPolarHBondContact O-CD2 3.32Å; V113-F117 PolarHBondContact O-N 3.18Å; I114-F117 PolarHBondContact O-N 2.84Å; F117-I121 WeakPolarHBondContact O-CG1 2.97Å; F117-A124 HydrophobicContact CD1-CB 4.19Å; F117-A124 HydrophobicContact CE1-CB 4.28Å; F117-L125 HydrophobicContact CD1-CD1 4.16Å; F117-L125 HydrophobicContact CE1-CD1 3.79Å; F117-F128 HydrophobicContact CZ-CE2 4.3Å; F117-F128 HydrophobicContact CZ-CZ 4.4Å
118R78.9Confident76.3Confident214 Ų21467.3 Ų67.381%0.80834%0.339SS*.Hα-helixtrans-70.8-34.6178.7-74.2-179.469.9-169.52.2113.6I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.41Å; I114-R118 WeakPolarHBondContact O-CB 3.37Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.28Å; I114-R118 PolarHBondContact O-N 2.69Å; M115-R118 PolarHBondContact O-N 3.12Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 2.86Å
119S72.6Confident75.3Confident49 Ų4969.4 Ų69.434%0.34335%0.35SS..Hα-helixtrans-89-39.7-172.771.70000113.5M115 G116M115-S119 WeakPolarHBondContact O-CB 3.46Å; M115-S119 PolarHBondContact O-N 3.28Å; M115-S119 PolarHBondContact O-OG 2.89Å; M115-S119 VanDerWaalsContact O-OG 3.09Å; G116-S119 PolarHBondContact O-N 3.47Å; G116-S119 PolarHBondContact O-OG 3.03Å
120K73.3Confident74.2Confident90 Ų9070.9 Ų70.939%0.39136%0.364SS..  trans-146.372.4-176.3-66.8175.1-1791600111.3G116 K122 N123 A124 T226G116-K120 PolarHBondContact O-N 3.3Å; K120-K122 VanDerWaalsContact C-N 3.28Å; K120-K122 PolarHBondContact O-N 3.13Å; K120-N123 HydrophobicContact CB-CB 3.91Å; K120-N123 HydrophobicContact CD-CB 4.28Å; K120-N123 PolarHBondContact O-N 3.41Å; K120-N123 VanDerWaalsContact O-N 3.11Å; K120-A124 WeakPolarHBondContact O-CB 3.35Å; K120-A124 PolarHBondContact O-N 3.34Å; K120-T226 WeakPolarHBondContact CE-O 3.43Å; K120-T226 PolarHBondContact NZ-O 3.36Å; K120-T226 PolarHBondContact NZ-OXT 3.18Å
121I68.8Low73.1Confident109 Ų10979.2 Ų79.256%0.55940%0.398SS*.Hα-helixtrans-48-49177.9-60.3169.5000111.8F117 N123 A124 L125F117-I121 WeakPolarHBondContact O-CG1 2.97Å; I121-N123 PolarHBondContact O-N 3.28Å; I121-A124 PolarHBondContact O-N 3.43Å; I121-L125 HydrophobicContact CG2-CD1 3.79Å; I121-L125 WeakPolarHBondContact O-CD1 3.33Å; I121-L125 PolarHBondContact O-N 3.34Å
122K67.9Low72.1Confident191 Ų19182.1 Ų82.183%0.8343%0.428SS*.Hα-helixtrans-65.8-37.5-176.5-65.3-175.8-179.8-177.40113.3K120 A126K120-K122 VanDerWaalsContact C-N 3.28Å; K120-K122 PolarHBondContact O-N 3.13Å; K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.36Å; K122-A126 PolarHBondContact O-N 3.26Å
123N70.2Confident71.6Confident99 Ų9983.8 Ų83.853%0.52944%0.438SS..Hα-helixtrans-78-36.8-178.4-151.558000111.2K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.91Å; K120-N123 HydrophobicContact CD-CB 4.28Å; K120-N123 PolarHBondContact O-N 3.41Å; K120-N123 VanDerWaalsContact O-N 3.11Å; I121-N123 PolarHBondContact O-N 3.28Å; N123-A126 PolarHBondContact O-N 3.38Å; N123-H127 PolarHBondContact O-N 2.92Å; N123-H127 VanDerWaalsContact O-N 3.12Å
124A66.2Low71.1Confident17 Ų1786.9 Ų86.914%0.1446%0.459CS..Hα-helixtrans-63-43.2173.600000111.6F117 K120 I121 H127F117-A124 HydrophobicContact CD1-CB 4.19Å; F117-A124 HydrophobicContact CE1-CB 4.28Å; K120-A124 WeakPolarHBondContact O-CB 3.35Å; K120-A124 PolarHBondContact O-N 3.34Å; I121-A124 PolarHBondContact O-N 3.43Å; A124-H127 PolarHBondContact O-N 2.7Å
125L65.8Low70.7Confident96 Ų9687.9 Ų87.950%0.50347%0.47SS..Hα-helixtrans-70.1-32.3174.7-87.683.2000112.8F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.16Å; F117-L125 HydrophobicContact CE1-CD1 3.79Å; I121-L125 HydrophobicContact CG2-CD1 3.79Å; I121-L125 WeakPolarHBondContact O-CD1 3.33Å; I121-L125 PolarHBondContact O-N 3.34Å; L125-H127 VanDerWaalsContact C-N 3.28Å; L125-H127 PolarHBondContact O-N 3.17Å; L125-F128 PolarHBondContact O-N 3.03Å
126A64.3Low70.7Confident56 Ų5690.4 Ų90.446%0.46349%0.489SS..Hα-helixtrans-67.1-28.7176.900000112.6K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.36Å; K122-A126 PolarHBondContact O-N 3.26Å; N123-A126 PolarHBondContact O-N 3.38Å; A126-F128 PolarHBondContact O-N 2.77Å; A126-L129 PolarHBondContact O-N 2.92Å; A126-L129 VanDerWaalsContact O-N 3.08Å
127H67.4Low70.7Confident112 Ų11297 Ų9752%0.51952%0.518SS..THydrogen-bonded Turntrans-65.6-19.6176.4-160-63.7000113N123 A124 L125 L129N123-H127 PolarHBondContact O-N 2.92Å; N123-H127 VanDerWaalsContact O-N 3.12Å; A124-H127 PolarHBondContact O-N 2.7Å; L125-H127 VanDerWaalsContact C-N 3.28Å; L125-H127 PolarHBondContact O-N 3.17Å; H127-L129 PolarHBondContact O-N 2.85Å
128F65.5Low70.7Confident38 Ų3895.6 Ų95.617%0.16751%0.513CS..THydrogen-bonded Turntrans-69.1-15.5173.3-68.6-56.4000113.4F117 L125 A126 E145 T146F117-F128 HydrophobicContact CZ-CE2 4.3Å; F117-F128 HydrophobicContact CZ-CZ 4.4Å; L125-F128 PolarHBondContact O-N 3.03Å; A126-F128 PolarHBondContact O-N 2.77Å; F128-E145 HydrophobicContact CD1-CB 4.35Å; F128-E145 HydrophobicContact CD1-CG 3.97Å; F128-T146 HydrophobicContact CD1-CG2 4.04Å; F128-T146 HydrophobicContact CE1-CG2 3.82Å; F128-T146 HydrophobicContact CZ-CG2 4.32Å
129L66.8Low70.7Confident62 Ų6289.4 Ų89.433%0.32550%0.501SS..SBendtrans-121.8117.9176.5-107.773.1000111.4A126 H127 Q131 I138 V142A126-L129 PolarHBondContact O-N 2.92Å; A126-L129 VanDerWaalsContact O-N 3.08Å; H127-L129 PolarHBondContact O-N 2.85Å; L129-Q131 PolarHBondContact O-N 3.02Å; L129-I138 HydrophobicContact CD1-CG2 4.07Å; L129-I138 HydrophobicContact CD2-CD1 4.24Å; L129-I138 HydrophobicContact CD2-CG1 4.26Å; L129-I138 HydrophobicContact CD2-CG2 3.89Å; L129-I138 HydrophobicContact CG-CG2 4.37Å; L129-V142 HydrophobicContact CD1-CG2 3.22Å
130P63.7Low71.3Confident68 Ų6892.6 Ų92.644%0.44251%0.512SS..  trans-63.6137.916416.9-16000109.8G132 T133 L141P130-G132 PolarHBondContact O-N 3.48Å; P130-T133 HydrophobicContact CB-CG2 4.34Å; P130-T133 HydrophobicContact CG-CG2 3.71Å; P130-T133 WeakPolarHBondContact O-CG2 3.05Å; P130-T133 PolarHBondContact O-OG1 3.37Å; P130-L141 HydrophobicContact CG-CD1 3.79Å; P130-L141 HydrophobicContact CG-CD2 3.91Å
131Q63.8Low71.9Confident203 Ų20390.5 Ų90.595%0.94951%0.505SS*.THydrogen-bonded Turntrans-65.1132.9179.2-63.4-169.20.400110.2L129L129-Q131 PolarHBondContact O-N 3.02Å
132G64.4Low72.5Confident82 Ų8287.6 Ų87.685%0.84549%0.492SS*.THydrogen-bonded Turntrans93.516177.900000115.7P130P130-G132 PolarHBondContact O-N 3.48Å
133T72.9Confident73.4Confident36 Ų3682.9 Ų82.922%0.22148%0.475CS..  trans-75.8133.4176.945.30000112.4P130 L141P130-T133 HydrophobicContact CB-CG2 4.34Å; P130-T133 HydrophobicContact CG-CG2 3.71Å; P130-T133 WeakPolarHBondContact O-CG2 3.05Å; P130-T133 PolarHBondContact O-OG1 3.37Å; T133-L141 HydrophobicContact CG2-CD1 3.82Å
134P74.4Confident74.2Confident80 Ų8082.6 Ų82.652%0.51947%0.472SS..  trans-65.3137.3176.111.7-11.7000111P136 F137P134-P136 VanDerWaalsContact C-N 3.31Å; P134-P136 VanDerWaalsContact O-CD 3.26Å; P134-P136 WeakPolarHBondContact O-CD 3.41Å; P134-F137 HydrophobicContact CB-CD2 4.44Å; P134-F137 HydrophobicContact CG-CD2 3.97Å; P134-F137 PolarHBondContact O-N 2.99Å; P134-F137 VanDerWaalsContact O-N 3.1Å
135T76.2Confident75Confident119 Ų11984.5 Ų84.573%0.7348%0.478SS*.THydrogen-bonded Turntrans-49.7-30.3-171.246.40000117.2I138T135-I138 HydrophobicContact CG2-CD1 4.38Å
136P82.3Confident75.8Confident98 Ų9882.3 Ų82.364%0.63647%0.469SS*.THydrogen-bonded Turntrans-73.3-29.9179.3-15.230.1000114.1P134 P139P134-P136 VanDerWaalsContact C-N 3.31Å; P134-P136 VanDerWaalsContact O-CD 3.26Å; P134-P136 WeakPolarHBondContact O-CD 3.41Å; P136-P139 WeakPolarHBondContact O-CD 3.43Å
137F78.5Confident76.8Confident138 Ų13883.6 Ų83.661%0.60547%0.467SS*.THydrogen-bonded Turntrans-88.3-8-173-67.1-75.4000113.6P134 M140 L141P134-F137 HydrophobicContact CB-CD2 4.44Å; P134-F137 HydrophobicContact CG-CD2 3.97Å; P134-F137 PolarHBondContact O-N 2.99Å; P134-F137 VanDerWaalsContact O-N 3.1Å; F137-M140 PolarHBondContact O-N 3.41Å; F137-L141 PolarHBondContact O-N 3.25Å; F137-L141 VanDerWaalsContact O-N 3.09Å
138I80.2Confident77.7Confident50 Ų5080.8 Ų80.826%0.25646%0.46SS..Hα-helixtrans-54-49.6-177.3-67.4177.9000112.4L129 T135 M140 L141 V142L129-I138 HydrophobicContact CD1-CG2 4.07Å; L129-I138 HydrophobicContact CD2-CD1 4.24Å; L129-I138 HydrophobicContact CD2-CG1 4.26Å; L129-I138 HydrophobicContact CD2-CG2 3.89Å; L129-I138 HydrophobicContact CG-CG2 4.37Å; T135-I138 HydrophobicContact CG2-CD1 4.38Å; I138-M140 VanDerWaalsContact C-N 3.34Å; I138-M140 PolarHBondContact O-N 2.98Å; I138-L141 PolarHBondContact O-N 3.31Å; I138-V142 WeakPolarHBondContact O-CG2 3.33Å; I138-V142 PolarHBondContact O-N 2.93Å
139P80.4Confident78.5Confident85 Ų8581.1 Ų81.155%0.55246%0.463SS*.Hα-helixtrans-65.1-37.1-176.1-2133.9000112.9P136 I143P136-P139 WeakPolarHBondContact O-CD 3.43Å; P139-I143 WeakPolarHBondContact O-CG1 3.12Å; P139-I143 PolarHBondContact O-N 3.09Å
140M84.3Confident79.3Confident115 Ų11583.4 Ų83.457%0.56748%0.475SS*.Hα-helixtrans-68.8-41.5178.8-174.664.8-174.500111.5F137 I138 I143 I144F137-M140 PolarHBondContact O-N 3.41Å; I138-M140 VanDerWaalsContact C-N 3.34Å; I138-M140 PolarHBondContact O-N 2.98Å; M140-I143 PolarHBondContact O-N 3.41Å; M140-I144 HydrophobicContact CE-CD1 3.96Å; M140-I144 HydrophobicContact CE-CG1 4.2Å; M140-I144 HydrophobicContact CG-CD1 4.08Å; M140-I144 WeakPolarHBondContact O-CG1 3.2Å; M140-I144 PolarHBondContact O-N 3.46Å; M140-I144 VanDerWaalsContact O-N 3.1Å
141L85.1Confident80.3Confident46 Ų4684.8 Ų84.824%0.24148%0.478CS..Hα-helixtrans-67.2-40.2-177.5-161157000111.7P130 T133 F137 I138 I143 I144 E145P130-L141 HydrophobicContact CG-CD1 3.79Å; P130-L141 HydrophobicContact CG-CD2 3.91Å; T133-L141 HydrophobicContact CG2-CD1 3.82Å; F137-L141 PolarHBondContact O-N 3.25Å; F137-L141 VanDerWaalsContact O-N 3.09Å; I138-L141 PolarHBondContact O-N 3.31Å; L141-I143 VanDerWaalsContact C-N 3.28Å; L141-I143 PolarHBondContact O-N 3.43Å; L141-I144 PolarHBondContact O-N 2.67Å; L141-I144 VanDerWaalsContact O-N 3.16Å; L141-E145 WeakPolarHBondContact O-CB 3.28Å; L141-E145 PolarHBondContact O-N 2.88Å
142V82.9Confident81.3Confident48 Ų4878.5 Ų78.529%0.29145%0.449SS..Hα-helixtrans-58.1-42.1174.6175.50000111.4L129 I138 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.22Å; I138-V142 WeakPolarHBondContact O-CG2 3.33Å; I138-V142 PolarHBondContact O-N 2.93Å; V142-E145 PolarHBondContact O-N 3.08Å; V142-T146 HydrophobicContact CG1-CG2 4.36Å; V142-T146 WeakPolarHBondContact O-CB 3.37Å; V142-T146 VanDerWaalsContact O-CG2 3.25Å; V142-T146 WeakPolarHBondContact O-CG2 3.45Å; V142-T146 PolarHBondContact O-N 3.45Å; V142-T146 PolarHBondContact O-OG1 3.46Å
143I85.8Confident82.1Confident93 Ų9375 Ų7548%0.47741%0.411SS..Hα-helixtrans-64-44.2177.7-65.7167.4000110.5P139 M140 L141 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.12Å; P139-I143 PolarHBondContact O-N 3.09Å; M140-I143 PolarHBondContact O-N 3.41Å; L141-I143 VanDerWaalsContact C-N 3.28Å; L141-I143 PolarHBondContact O-N 3.43Å; I143-T146 WeakPolarHBondContact CA-OG1 3.32Å; I143-T146 PolarHBondContact O-OG1 2.98Å; I143-I147 HydrophobicContact CG2-CD1 3.8Å; I143-I147 WeakPolarHBondContact O-CD1 3.29Å; I143-I147 VanDerWaalsContact O-CG1 3.24Å; I143-I147 WeakPolarHBondContact O-CG1 3.22Å; I143-I147 PolarHBondContact O-N 3.32Å
144I86.4Confident82.6Confident92 Ų9277.2 Ų77.247%0.47242%0.42SS..Hα-helixtrans-64.7-43.5179-64.3166000111M140 L141 I147 S148M140-I144 HydrophobicContact CE-CD1 3.96Å; M140-I144 HydrophobicContact CE-CG1 4.2Å; M140-I144 HydrophobicContact CG-CD1 4.08Å; M140-I144 WeakPolarHBondContact O-CG1 3.2Å; M140-I144 PolarHBondContact O-N 3.46Å; M140-I144 VanDerWaalsContact O-N 3.1Å; L141-I144 PolarHBondContact O-N 2.67Å; L141-I144 VanDerWaalsContact O-N 3.16Å; I144-I147 PolarHBondContact O-N 3.44Å; I144-S148 WeakPolarHBondContact O-CB 3.28Å; I144-S148 PolarHBondContact O-N 3.18Å
145E84.4Confident83.1Confident57 Ų5775.4 Ų75.427%0.26641%0.412SS..Hα-helixtrans-67.4-39.8-178.5-167.460.5-157.900111.7F128 L141 V142 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.35Å; F128-E145 HydrophobicContact CD1-CG 3.97Å; L141-E145 WeakPolarHBondContact O-CB 3.28Å; L141-E145 PolarHBondContact O-N 2.88Å; V142-E145 PolarHBondContact O-N 3.08Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 3.46Å; E145-S148 WeakPolarHBondContact O-CB 3.47Å; E145-S148 PolarHBondContact O-N 2.94Å; E145-L149 WeakPolarHBondContact O-CB 3.47Å; E145-L149 PolarHBondContact O-N 3.16Å
146T82.3Confident83.4Confident50 Ų5070 Ų7031%0.30738%0.378SS..Hα-helixtrans-63.4-38.9173.952.60000112.3F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.04Å; F128-T146 HydrophobicContact CE1-CG2 3.82Å; F128-T146 HydrophobicContact CZ-CG2 4.32Å; V142-T146 HydrophobicContact CG1-CG2 4.36Å; V142-T146 WeakPolarHBondContact O-CB 3.37Å; V142-T146 VanDerWaalsContact O-CG2 3.25Å; V142-T146 WeakPolarHBondContact O-CG2 3.45Å; V142-T146 PolarHBondContact O-N 3.45Å; V142-T146 PolarHBondContact O-OG1 3.46Å; I143-T146 WeakPolarHBondContact CA-OG1 3.32Å; I143-T146 PolarHBondContact O-OG1 2.98Å; T146-L150 WeakPolarHBondContact O-CG 3.34Å; T146-L150 PolarHBondContact O-N 3.44Å
147I86.1Confident83.5Confident84 Ų8465.4 Ų65.443%0.43135%0.348SS..Hα-helixtrans-66.7-43.8173.7-67.9166.3000110.9I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.8Å; I143-I147 WeakPolarHBondContact O-CD1 3.29Å; I143-I147 VanDerWaalsContact O-CG1 3.24Å; I143-I147 WeakPolarHBondContact O-CG1 3.22Å; I143-I147 PolarHBondContact O-N 3.32Å; I144-I147 PolarHBondContact O-N 3.44Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 3.46Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.11Å; I147-L150 PolarHBondContact O-N 3.17Å; I147-L150 VanDerWaalsContact O-N 3.15Å; I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.15Å; I147-I151 WeakPolarHBondContact O-CG1 3.13Å; I147-I151 PolarHBondContact O-N 3.48Å
148S84.5Confident83.9Confident52 Ų5261.6 Ų61.636%0.36434%0.336SS..Hα-helixtrans-57.5-46.4178.1-1770000111.8I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.28Å; I144-S148 PolarHBondContact O-N 3.18Å; E145-S148 WeakPolarHBondContact O-CB 3.47Å; E145-S148 PolarHBondContact O-N 2.94Å; S148-L150 VanDerWaalsContact C-N 3.28Å; S148-L150 PolarHBondContact O-N 3.2Å; S148-I151 PolarHBondContact O-N 3.01Å; S148-Q152 PolarHBondContact O-N 3.32Å; S148-Q152 VanDerWaalsContact O-N 3.14Å
149L83.4Confident84.3Confident45 Ų4563.9 Ų63.924%0.23634%0.342CS..Hα-helixtrans-59.7-36.9177.2-173.1117.8000112.2W109 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.19Å; W109-L149 HydrophobicContact CZ2-CD2 3.49Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.49Å; W109-L149 HydrophobicContact CZ2-CG 3.89Å; W109-L149 VanDerWaalsContact CZ2-O 3.28Å; W109-L149 WeakPolarHBondContact CZ2-O 3.5Å; W109-L149 PolarHBondContact NE1-O 3.15Å; E145-L149 WeakPolarHBondContact O-CB 3.47Å; E145-L149 PolarHBondContact O-N 3.16Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.11Å; L149-P153 WeakPolarHBondContact O-CD 3.22Å
150L83.3Confident84.4Confident110 Ų11059.9 Ų59.958%0.57632%0.316SS*.Hα-helixtrans-77.5-34.4177.7-71.6173.2000113.7W109 T146 I147 S148 P153W109-L150 HydrophobicContact CH2-CD2 3.71Å; W109-L150 HydrophobicContact CZ2-CD2 4.25Å; T146-L150 WeakPolarHBondContact O-CG 3.34Å; T146-L150 PolarHBondContact O-N 3.44Å; I147-L150 PolarHBondContact O-N 3.17Å; I147-L150 VanDerWaalsContact O-N 3.15Å; S148-L150 VanDerWaalsContact C-N 3.28Å; S148-L150 PolarHBondContact O-N 3.2Å; L150-P153 WeakPolarHBondContact O-CD 3.27Å; L150-P153 WeakPolarHBondContact O-CG 3.42Å
151I85.7Confident84.4Confident98 Ų9855 Ų5550%0.50329%0.292SS..Hα-helixtrans-73.2-31.1-179.3-69.5173000111.3I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.15Å; I147-I151 WeakPolarHBondContact O-CG1 3.13Å; I147-I151 PolarHBondContact O-N 3.48Å; S148-I151 PolarHBondContact O-N 3.01Å; I151-M154 WeakPolarHBondContact O-CB 3.07Å; I151-M154 PolarHBondContact O-N 2.92Å; I151-M154 VanDerWaalsContact O-N 3.12Å; I151-A155 HydrophobicContact CG2-CB 4.44Å; I151-A155 WeakPolarHBondContact O-CB 3.16Å; I151-A155 PolarHBondContact O-N 3.27Å
152Q83.6Confident84.4Confident70 Ų7054.8 Ų54.833%0.32730%0.297SS..Hα-helixtrans-50.7-52.8-177.4-110.9175.8-1300116.2S148 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 3.32Å; S148-Q152 VanDerWaalsContact O-N 3.14Å; Q152-M154 VanDerWaalsContact C-N 3.28Å; Q152-M154 PolarHBondContact O-N 2.92Å; Q152-A155 PolarHBondContact O-N 3.35Å; Q152-L156 WeakPolarHBondContact O-CB 3.37Å; Q152-L156 PolarHBondContact O-N 2.83Å; Q152-Y221 HydrophobicContact CG-CE1 4.33Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.5Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.27Å; Q152-Y221 PolarHBondContact NE2-OH 3.27Å; Q152-Y221 PolarHBondContact OE1-OH 3.24Å
153P80.5Confident84.7Confident9 Ų955.4 Ų55.46%0.05830%0.299CS..Hα-helixtrans-64.2-34.5178.624-34.7000112.2W109 L149 L150 A157W109-P153 HydrophobicContact CB-CB 3.87Å; W109-P153 HydrophobicContact CB-CG 4.35Å; W109-P153 HydrophobicContact CD2-CB 4.29Å; W109-P153 HydrophobicContact CD2-CG 3.78Å; W109-P153 HydrophobicContact CE3-CG 4.26Å; W109-P153 HydrophobicContact CG-CB 3.84Å; W109-P153 HydrophobicContact CG-CG 3.8Å; L149-P153 WeakPolarHBondContact O-CD 3.22Å; L150-P153 WeakPolarHBondContact O-CD 3.27Å; L150-P153 WeakPolarHBondContact O-CG 3.42Å; P153-A157 PolarHBondContact O-N 2.87Å; P153-A157 VanDerWaalsContact O-N 3.17Å
154M84.7Confident84.7Confident83 Ų8351.3 Ų51.341%0.40928%0.278SS..Hα-helixtrans-66.4-46.3174.9-172.666-17600111L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD2-CE 4.13Å; L102-M154 HydrophobicContact CD1-SD 3.35Å; L102-M154 WeakPolarHBondContact CD1-SD 3.47Å; L102-M154 HydrophobicContact CD2-SD 4.19Å; L102-M154 HydrophobicContact CG-SD 4.43Å; I151-M154 WeakPolarHBondContact O-CB 3.07Å; I151-M154 PolarHBondContact O-N 2.92Å; I151-M154 VanDerWaalsContact O-N 3.12Å; Q152-M154 VanDerWaalsContact C-N 3.28Å; Q152-M154 PolarHBondContact O-N 2.92Å; M154-L156 VanDerWaalsContact C-N 3.28Å; M154-L156 PolarHBondContact O-N 3.21Å; M154-A157 PolarHBondContact O-N 2.99Å; M154-V158 HydrophobicContact CE-CG2 3.96Å; M154-V158 HydrophobicContact CG-CG2 4.42Å; M154-V158 VanDerWaalsContact O-CG2 3.31Å; M154-V158 WeakPolarHBondContact O-CG2 3.42Å; M154-V158 PolarHBondContact O-N 3.37Å
155A85.6Confident84.8Confident41 Ų4148.7 Ų48.734%0.33927%0.266SS..Hα-helixtrans-61.6-37.3178.700000112.1I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.44Å; I151-A155 WeakPolarHBondContact O-CB 3.16Å; I151-A155 PolarHBondContact O-N 3.27Å; Q152-A155 PolarHBondContact O-N 3.35Å; A155-R159 VanDerWaalsContact O-CB 3.32Å; A155-R159 WeakPolarHBondContact O-CB 3.31Å; A155-R159 PolarHBondContact O-N 3.31Å
156L80.9Confident84.9Confident7 Ų748.5 Ų48.54%0.03728%0.275CS..Hα-helixtrans-62.2-48175-165.287.2000111.8A105 Q152 M154 R159 L160 F214 L217 V218A105-L156 HydrophobicContact CB-CD2 4.4Å; Q152-L156 WeakPolarHBondContact O-CB 3.37Å; Q152-L156 PolarHBondContact O-N 2.83Å; M154-L156 VanDerWaalsContact C-N 3.28Å; M154-L156 PolarHBondContact O-N 3.21Å; L156-R159 PolarHBondContact O-N 3.48Å; L156-L160 PolarHBondContact O-N 3.06Å; L156-F214 HydrophobicContact CD1-CD2 4.22Å; L156-F214 HydrophobicContact CD2-CD1 4.21Å; L156-F214 HydrophobicContact CD2-CD2 3.3Å; L156-F214 HydrophobicContact CD2-CE1 4.06Å; L156-F214 HydrophobicContact CD2-CE2 3.12Å; L156-F214 HydrophobicContact CD2-CG 3.86Å; L156-F214 HydrophobicContact CD2-CZ 3.54Å; L156-F214 HydrophobicContact CG-CD2 3.44Å; L156-F214 VanDerWaalsContact CG-CD2 3.44Å; L156-F214 HydrophobicContact CG-CE2 3.62Å; L156-F214 HydrophobicContact CG-CG 4.2Å; L156-F214 HydrophobicContact CG-CZ 4.49Å; L156-L217 HydrophobicContact CD1-CB 3.86Å; L156-L217 HydrophobicContact CD1-CD1 3.35Å; L156-L217 HydrophobicContact CD1-CG 4.23Å; L156-V218 HydrophobicContact CD2-CG2 4.29Å
157A84.4Confident85.2Confident0 Ų046.4 Ų46.40%026%0.263CS..Hα-helixtrans-64.5-45.1179.600000111.9L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.36Å; N101-A157 HydrophobicContact CB-CB 3.91Å; N101-A157 PolarHBondContact ND2-O 3.48Å; L102-A157 HydrophobicContact CB-CB 4.43Å; L102-A157 HydrophobicContact CD1-CB 3.85Å; A105-A157 HydrophobicContact CB-CB 4.21Å; P153-A157 PolarHBondContact O-N 2.87Å; P153-A157 VanDerWaalsContact O-N 3.17Å; M154-A157 PolarHBondContact O-N 2.99Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 2.88Å; A157-L160 PolarHBondContact O-N 3.4Å; A157-T161 PolarHBondContact O-N 3.08Å; A157-T161 VanDerWaalsContact O-N 3.11Å; A157-T161 PolarHBondContact O-OG1 2.82Å
158V87.6Confident85.3Confident59 Ų5944 Ų4436%0.35825%0.249SC..Hα-helixtrans-63.6-39177.8172.80000111.3L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.9Å; M154-V158 HydrophobicContact CE-CG2 3.96Å; M154-V158 HydrophobicContact CG-CG2 4.42Å; M154-V158 VanDerWaalsContact O-CG2 3.31Å; M154-V158 WeakPolarHBondContact O-CG2 3.42Å; M154-V158 PolarHBondContact O-N 3.37Å; V158-L160 VanDerWaalsContact C-N 3.29Å; V158-L160 PolarHBondContact O-N 3.27Å; V158-T161 WeakPolarHBondContact CA-OG1 3.44Å; V158-T161 PolarHBondContact O-N 3.22Å; V158-T161 PolarHBondContact O-OG1 3.03Å; V158-A162 WeakPolarHBondContact O-CB 3.42Å; V158-A162 PolarHBondContact O-N 3.11Å
159R87.4Confident85.5Confident97 Ų9743.5 Ų43.537%0.36624%0.243SC..Hα-helixtrans-59.7-42.2177-169.6-173.9-60.7155.42.5111.6A155 L156 A157 N163 Q210A155-R159 VanDerWaalsContact O-CB 3.32Å; A155-R159 WeakPolarHBondContact O-CB 3.31Å; A155-R159 PolarHBondContact O-N 3.31Å; L156-R159 PolarHBondContact O-N 3.48Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 2.88Å; R159-N163 VanDerWaalsContact O-CG 3.29Å; R159-N163 PolarHBondContact O-N 3.16Å; R159-Q210 VanDerWaalsContact C-NE2 3.33Å
160L82.5Confident85.9Confident1 Ų145.1 Ų45.11%0.00525%0.251CS..Hα-helixtrans-71.1-41.7-178.2-160.7136.2000111.5I79 T95 N101 L156 A157 V158 I164 Q210 F214I79-L160 HydrophobicContact CG2-CD1 3.61Å; T95-L160 HydrophobicContact CG2-CD2 3.99Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.4Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.1Å; L156-L160 PolarHBondContact O-N 3.06Å; A157-L160 PolarHBondContact O-N 3.4Å; V158-L160 VanDerWaalsContact C-N 3.29Å; V158-L160 PolarHBondContact O-N 3.27Å; L160-I164 HydrophobicContact CD2-CD1 3.68Å; L160-I164 HydrophobicContact CG-CD1 4.17Å; L160-I164 WeakPolarHBondContact O-CD1 3.48Å; L160-I164 WeakPolarHBondContact O-CG1 3.25Å; L160-I164 PolarHBondContact O-N 3.15Å; L160-Q210 HydrophobicContact CB-CG 4.15Å; L160-Q210 HydrophobicContact CD1-CG 3.68Å; L160-Q210 HydrophobicContact CG-CG 3.73Å; L160-Q210 VanDerWaalsContact N-NE2 3.12Å; L160-F214 HydrophobicContact CD1-CB 4.47Å; L160-F214 HydrophobicContact CD1-CD2 4.06Å; L160-F214 HydrophobicContact CD1-CG 4.5Å
161T85.9Confident86.2Confident13 Ų1341.4 Ų41.48%0.0823%0.231CC..Hα-helixtrans-65-46.2174.648.50000112.1T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.3Å; L98-T161 VanDerWaalsContact CA-CG2 3.43Å; L98-T161 HydrophobicContact CB-CG2 4.01Å; L98-T161 HydrophobicContact CD1-CG2 3.99Å; N101-T161 HydrophobicContact CB-CG2 4.34Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.43Å; N101-T161 PolarHBondContact ND2-N 3.34Å; A157-T161 PolarHBondContact O-N 3.08Å; A157-T161 VanDerWaalsContact O-N 3.11Å; A157-T161 PolarHBondContact O-OG1 2.82Å; V158-T161 WeakPolarHBondContact CA-OG1 3.44Å; V158-T161 PolarHBondContact O-N 3.22Å; V158-T161 PolarHBondContact O-OG1 3.03Å; T161-N163 PolarHBondContact O-N 2.85Å; T161-I164 PolarHBondContact O-N 2.93Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 2.97Å; T161-T165 WeakPolarHBondContact O-CG2 3.35Å; T161-T165 PolarHBondContact O-N 2.71Å; T161-T165 PolarHBondContact O-OG1 3.09Å
162A85.3Confident86.4Confident42 Ų4240.8 Ų40.835%0.34723%0.226SC..Hα-helixtrans-63.5-44.5-172.600000111.1V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.42Å; V158-A162 PolarHBondContact O-N 3.11Å; A162-T165 PolarHBondContact O-OG1 2.97Å; A162-A166 WeakPolarHBondContact O-CB 3.26Å; A162-A166 PolarHBondContact O-N 3.31Å
163N88.5Confident86.7Confident61 Ų6141.8 Ų41.833%0.32623%0.233SC..Hα-helixtrans-63.6-48.8-179.5-69.6-6.5000111.3R159 T161 G167 V206R159-N163 VanDerWaalsContact O-CG 3.29Å; R159-N163 PolarHBondContact O-N 3.16Å; T161-N163 PolarHBondContact O-N 2.85Å; N163-G167 PolarHBondContact O-N 3.33Å; N163-V206 HydrophobicContact CB-CG1 4.08Å
164I85.8Confident87.2Confident6 Ų643 Ų433%0.03124%0.239CC..Hα-helixtrans-70.5-41-176.6-58.4171.3000111.3N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.37Å; N83-I164 VanDerWaalsContact CG-CD1 3.44Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.41Å; T93-I164 HydrophobicContact CG2-CG2 4.35Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.44Å; T96-I164 HydrophobicContact CG2-CB 4.33Å; T96-I164 HydrophobicContact CG2-CG2 3.63Å; L160-I164 HydrophobicContact CD2-CD1 3.68Å; L160-I164 HydrophobicContact CG-CD1 4.17Å; L160-I164 WeakPolarHBondContact O-CD1 3.48Å; L160-I164 WeakPolarHBondContact O-CG1 3.25Å; L160-I164 PolarHBondContact O-N 3.15Å; T161-I164 PolarHBondContact O-N 2.93Å; I164-H168 WeakPolarHBondContact O-CB 3.31Å; I164-H168 PolarHBondContact O-CD2 3.09Å; I164-H168 VanDerWaalsContact O-CD2 3.31Å; I164-H168 PolarHBondContact O-N 3.09Å; I164-H168 VanDerWaalsContact O-N 3.08Å
165T88.2Confident87.4Confident37 Ų3740.1 Ų40.123%0.22723%0.23CC..Hα-helixtrans-66.2-45.8177.553.30000111.8F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.43Å; F9-T165 HydrophobicContact CE1-CG2 4.14Å; T96-T165 HydrophobicContact CG2-CG2 3.76Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 2.97Å; T161-T165 WeakPolarHBondContact O-CG2 3.35Å; T161-T165 PolarHBondContact O-N 2.71Å; T161-T165 PolarHBondContact O-OG1 3.09Å; A162-T165 PolarHBondContact O-OG1 2.97Å; T165-H168 PolarHBondContact O-N 3.36Å; T165-L169 WeakPolarHBondContact O-CB 3.44Å; T165-L169 WeakPolarHBondContact O-CG 3.28Å; T165-L169 PolarHBondContact O-N 3.29Å
166A87.6Confident87.6Confident54 Ų5440.9 Ų40.945%0.44623%0.234SC..Hα-helixtrans-64.5-43.3178.500000111.4A162 H168 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.26Å; A162-A166 PolarHBondContact O-N 3.31Å; A166-H168 PolarHBondContact O-N 3.25Å; A166-L169 PolarHBondContact O-N 2.95Å; A166-L170 VanDerWaalsContact O-CB 3.26Å; A166-L170 WeakPolarHBondContact O-CB 3.46Å; A166-L170 PolarHBondContact O-N 3.08Å
167G88.5Confident87.9Confident5 Ų542.4 Ų42.45%0.05225%0.247CC..Hα-helixtrans-58.6-47.9176.500000112.5N163 L170 M171 E203N163-G167 PolarHBondContact O-N 3.33Å; G167-L170 PolarHBondContact O-N 3.48Å; G167-M171 WeakPolarHBondContact O-CG 3.14Å; G167-M171 PolarHBondContact O-N 3.45Å; G167-E203 WeakPolarHBondContact CA-OE2 3.44Å
168H88.3Confident88.2Confident33 Ų3343.3 Ų43.315%0.15325%0.253CS..Hα-helixtrans-62.7-43.6175.9-91-87.5000113.5F9 G86 I164 T165 A166 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.09Å; F9-H168 HydrophobicContact CZ-CB 3.82Å; G86-H168 PolarHBondContact O-CE1 3.31Å; G86-H168 PolarHBondContact O-NE2 3Å; G86-H168 VanDerWaalsContact O-NE2 3.09Å; I164-H168 WeakPolarHBondContact O-CB 3.31Å; I164-H168 PolarHBondContact O-CD2 3.09Å; I164-H168 VanDerWaalsContact O-CD2 3.31Å; I164-H168 PolarHBondContact O-N 3.09Å; I164-H168 VanDerWaalsContact O-N 3.08Å; T165-H168 PolarHBondContact O-N 3.36Å; A166-H168 PolarHBondContact O-N 3.25Å; H168-L170 VanDerWaalsContact C-N 3.32Å; H168-L170 PolarHBondContact O-N 3.28Å; H168-M171 PolarHBondContact O-N 3.15Å; H168-H172 WeakPolarHBondContact O-CB 3.39Å; H168-H172 PolarHBondContact O-N 2.94Å
169L88.4Confident88.2Confident42 Ų4246.7 Ų46.722%0.2227%0.268CS..Hα-helixtrans-61.9-42.2175.7-77.6170.5000111.3F6 F9 T165 A166 H172 L173F6-L169 HydrophobicContact CD1-CD2 4.43Å; F6-L169 HydrophobicContact CE1-CD1 4.14Å; F6-L169 HydrophobicContact CE1-CD2 4.06Å; F6-L169 HydrophobicContact CZ-CD2 4.48Å; F9-L169 HydrophobicContact CE2-CD1 4.5Å; F9-L169 HydrophobicContact CE2-CD2 3.68Å; F9-L169 HydrophobicContact CE2-CG 3.8Å; F9-L169 HydrophobicContact CZ-CD2 4.3Å; F9-L169 HydrophobicContact CZ-CG 3.94Å; T165-L169 WeakPolarHBondContact O-CB 3.44Å; T165-L169 WeakPolarHBondContact O-CG 3.28Å; T165-L169 PolarHBondContact O-N 3.29Å; A166-L169 PolarHBondContact O-N 2.95Å; L169-H172 PolarHBondContact O-N 2.76Å; L169-L173 WeakPolarHBondContact O-CB 3.28Å; L169-L173 WeakPolarHBondContact O-CG 3.49Å; L169-L173 PolarHBondContact O-N 3.05Å
170L90.3Very high88.3Confident80 Ų8044.4 Ų44.442%0.41927%0.27SS..Hα-helixtrans-67.7-42.5-179.2-155.4154.7000110.9A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.26Å; A166-L170 WeakPolarHBondContact O-CB 3.46Å; A166-L170 PolarHBondContact O-N 3.08Å; G167-L170 PolarHBondContact O-N 3.48Å; H168-L170 VanDerWaalsContact C-N 3.32Å; H168-L170 PolarHBondContact O-N 3.28Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.01Å; L170-L173 PolarHBondContact O-N 3.36Å; L170-I174 HydrophobicContact CD2-CD1 3.45Å; L170-I174 VanDerWaalsContact CD2-CD1 3.45Å; L170-I174 HydrophobicContact CD2-CG1 4.04Å; L170-I174 WeakPolarHBondContact O-CG1 3.49Å; L170-I174 PolarHBondContact O-N 3.01Å; L170-L199 HydrophobicContact CB-CD2 4.37Å; L170-L199 HydrophobicContact CD2-CD1 3.7Å; L170-L199 HydrophobicContact CD2-CD2 3.22Å; L170-L199 HydrophobicContact CD2-CG 4.07Å; L170-L199 HydrophobicContact CG-CD2 4.37Å
171M90.6Very high88.5Confident31 Ų3147.3 Ų47.315%0.15328%0.284CS..Hα-helixtrans-58.8-43172-75.2-172.2-69.300111.8L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 3.97Å; G167-M171 WeakPolarHBondContact O-CG 3.14Å; G167-M171 PolarHBondContact O-N 3.45Å; H168-M171 PolarHBondContact O-N 3.15Å; M171-G175 PolarHBondContact O-N 2.88Å; M171-L199 HydrophobicContact CB-CD2 4.33Å; M171-L199 HydrophobicContact CG-CD2 3.57Å; M171-L199 HydrophobicContact CG-CG 4.19Å; M171-T200 HydrophobicContact SD-CG2 3.93Å; M171-E203 HydrophobicContact CE-CG 4.17Å
172H89.3Confident88.5Confident86 Ų8649.8 Ų49.840%0.39830%0.302SS..Hα-helixtrans-68.1-41.8178.4-170-56.9000112.2L5 H168 L169 L170 G175 S176L5-H172 VanDerWaalsContact CD2-CE1 3.44Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.32Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.5Å; H168-H172 WeakPolarHBondContact O-CB 3.39Å; H168-H172 PolarHBondContact O-N 2.94Å; L169-H172 PolarHBondContact O-N 2.76Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.01Å; H172-G175 PolarHBondContact O-N 3.35Å; H172-S176 WeakPolarHBondContact O-CB 3.44Å; H172-S176 PolarHBondContact O-N 2.98Å; H172-S176 PolarHBondContact O-OG 3.34Å
173L90.1Very high88.6Confident91 Ų9153.6 Ų53.648%0.47632%0.321SS..Hα-helixtrans-63.6-48.2178.7-74.3171.9000111.1L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 4.16Å; L5-L173 HydrophobicContact CD2-CD2 4.24Å; L169-L173 WeakPolarHBondContact O-CB 3.28Å; L169-L173 WeakPolarHBondContact O-CG 3.49Å; L169-L173 PolarHBondContact O-N 3.05Å; L170-L173 PolarHBondContact O-N 3.36Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 3.29Å; L173-S176 PolarHBondContact O-N 3.44Å; L173-S176 PolarHBondContact O-OG 3.46Å; L173-A177 PolarHBondContact O-N 3.5Å
174I91.2Very high88.5Confident33 Ų3355.8 Ų55.817%0.16933%0.331CS..Hα-helixtrans-64.2-40.6176.5-64.5-173.1000110.6L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.45Å; L170-I174 VanDerWaalsContact CD2-CD1 3.45Å; L170-I174 HydrophobicContact CD2-CG1 4.04Å; L170-I174 WeakPolarHBondContact O-CG1 3.49Å; L170-I174 PolarHBondContact O-N 3.01Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.49Å; I174-A177 CarbonylContact O-C 3.57Å; I174-A177 WeakPolarHBondContact O-CB 3.49Å; I174-A177 PolarHBondContact O-N 2.9Å; I174-A177 VanDerWaalsContact O-N 3.15Å; I174-T178 HydrophobicContact CG2-CG2 4.4Å; I174-T178 WeakPolarHBondContact O-CG2 3.39Å; I174-T178 PolarHBondContact O-N 2.86Å; I174-I192 HydrophobicContact CG2-CG2 3.76Å; I174-I195 HydrophobicContact CD1-CG2 4.06Å; I174-L196 HydrophobicContact CB-CD1 4.24Å; I174-L196 HydrophobicContact CG2-CB 3.92Å; I174-L196 HydrophobicContact CG2-CD1 4.01Å; I174-L196 HydrophobicContact CG2-CG 4.49Å; I174-L199 HydrophobicContact CD1-CD2 4.16Å
175G89.7Confident88.6Confident23 Ų2360 Ų6024%0.23735%0.354CS..Hα-helixtrans-61.7-36.517500000113.7M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 2.88Å; H172-G175 PolarHBondContact O-N 3.35Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 3.29Å; G175-T178 WeakPolarHBondContact CA-OG1 3.31Å; G175-T178 PolarHBondContact O-OG1 3.46Å; G175-L179 PolarHBondContact O-N 3.38Å
176S88.6Confident88.6Confident58 Ų5865.2 Ų65.241%0.40638%0.38SS..Hα-helixtrans-70.7-35.1173.671.60000112.2H172 L173 I174 L179 A180H172-S176 WeakPolarHBondContact O-CB 3.44Å; H172-S176 PolarHBondContact O-N 2.98Å; H172-S176 PolarHBondContact O-OG 3.34Å; L173-S176 PolarHBondContact O-N 3.44Å; L173-S176 PolarHBondContact O-OG 3.46Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.49Å; S176-L179 PolarHBondContact O-N 3.3Å; S176-A180 WeakPolarHBondContact O-CB 3.23Å; S176-A180 PolarHBondContact O-N 2.86Å
177A88.1Confident88.6Confident39 Ų3967.1 Ų67.132%0.32239%0.388SS..Hα-helixtrans-69.2-40.4175.700000112L173 I174 L179 A180 M181L173-A177 PolarHBondContact O-N 3.5Å; I174-A177 CarbonylContact O-C 3.57Å; I174-A177 WeakPolarHBondContact O-CB 3.49Å; I174-A177 PolarHBondContact O-N 2.9Å; I174-A177 VanDerWaalsContact O-N 3.15Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 3.36Å; A177-A180 PolarHBondContact O-N 3.44Å; A177-M181 WeakPolarHBondContact O-CB 3.26Å; A177-M181 WeakPolarHBondContact O-CG 3.35Å; A177-M181 PolarHBondContact O-N 3.28Å
178T90Very high88.5Confident19 Ų1968.7 Ų68.712%0.11740%0.398CS..Hα-helixtrans-60.9-42.8174.156.30000110.8I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.4Å; I174-T178 WeakPolarHBondContact O-CG2 3.39Å; I174-T178 PolarHBondContact O-N 2.86Å; G175-T178 WeakPolarHBondContact CA-OG1 3.31Å; G175-T178 PolarHBondContact O-OG1 3.46Å; T178-M181 PolarHBondContact O-N 3.05Å; T178-S182 WeakPolarHBondContact O-CB 3.27Å; T178-S182 PolarHBondContact O-N 2.85Å; T178-I192 HydrophobicContact CG2-CB 3.87Å; T178-I192 HydrophobicContact CG2-CG2 3.33Å
179L89Confident88.7Confident130 Ų13068.2 Ų68.268%0.68140%0.397SS*.Hα-helixtrans-64.8-43.1178.6-164127.1000111.8G175 S176 A177 S182G175-L179 PolarHBondContact O-N 3.38Å; S176-L179 PolarHBondContact O-N 3.3Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 3.36Å; L179-S182 PolarHBondContact O-N 3.32Å; L179-S182 PolarHBondContact O-OG 3.35Å
180A88.1Confident88.8Confident48 Ų4871.7 Ų71.740%0.39742%0.416SS..Hα-helixtrans-67.4-35.217600000113.4S176 A177 T183S176-A180 WeakPolarHBondContact O-CB 3.23Å; S176-A180 PolarHBondContact O-N 2.86Å; A177-A180 PolarHBondContact O-N 3.44Å; A180-T183 PolarHBondContact O-OG1 2.86Å
181M86.8Confident88.9Confident63 Ų6372.9 Ų72.931%0.3142%0.421SS..Hα-helixtrans-77.4-24.3178.6-68.5-64.4110.600112.8A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.26Å; A177-M181 WeakPolarHBondContact O-CG 3.35Å; A177-M181 PolarHBondContact O-N 3.28Å; T178-M181 PolarHBondContact O-N 3.05Å; M181-T183 PolarHBondContact O-N 2.95Å; M181-I184 HydrophobicContact CE-CD1 3.62Å; M181-I184 PolarHBondContact O-N 3.38Å; M181-I184 HydrophobicContact SD-CD1 4.28Å; M181-N185 PolarHBondContact O-N 3.3Å; M181-N185 VanDerWaalsContact O-N 3.08Å; M181-T189 PolarHBondContact O-OG1 2.97Å; M181-T189 VanDerWaalsContact O-OG1 3.09Å; M181-I192 HydrophobicContact CB-CD1 4.14Å; M181-I192 HydrophobicContact CG-CD1 3.64Å
182S86.9Confident89Confident64 Ų6473.2 Ų73.245%0.44842%0.423SS..Hα-helixtrans-57.9-31.1178.676.60000112.9T178 L179 T189T178-S182 WeakPolarHBondContact O-CB 3.27Å; T178-S182 PolarHBondContact O-N 2.85Å; L179-S182 PolarHBondContact O-N 3.32Å; L179-S182 PolarHBondContact O-OG 3.35Å; S182-T189 WeakPolarHBondContact CA-OG1 3.49Å; S182-T189 PolarHBondContact N-OG1 3.27Å
183T86.9Confident89.1Confident122 Ų12272.8 Ų72.875%0.74842%0.423SS*.THydrogen-bonded Turntrans-82.9-16.1178.857.80000113.5A180 M181A180-T183 PolarHBondContact O-OG1 2.86Å; M181-T183 PolarHBondContact O-N 2.95Å
184I87.1Confident89.3Confident107 Ų10772.2 Ų72.255%0.54942%0.424SS..THydrogen-bonded Turntrans-99.2-60.9-173.6-56.6174.8000110.2M181M181-I184 HydrophobicContact CE-CD1 3.62Å; M181-I184 PolarHBondContact O-N 3.38Å; M181-I184 HydrophobicContact SD-CD1 4.28Å
185N87.7Confident89.4Confident96 Ų9674.6 Ų74.651%0.51344%0.436SS..  trans-145.7123.9-172.9-83.8-19.1000111.3M181 S188 T189M181-N185 PolarHBondContact O-N 3.3Å; M181-N185 VanDerWaalsContact O-N 3.08Å; N185-S188 VanDerWaalsContact CB-OG 3.22Å; N185-S188 WeakPolarHBondContact CB-OG 3.37Å; N185-S188 PolarHBondContact O-OG 3.08Å; N185-T189 PolarHBondContact O-N 3.22Å; N185-T189 PolarHBondContact O-OG1 3.18Å
186L86.9Confident89.6Confident146 Ų14675.1 Ų75.176%0.76443%0.433SS*.Hα-helixtrans-62.5-44.9177.2-160.979.3000114.3S188 T189 L190L186-S188 PolarHBondContact O-N 2.98Å; L186-T189 WeakPolarHBondContact O-CB 3.45Å; L186-T189 PolarHBondContact O-N 3.38Å; L186-L190 PolarHBondContact O-N 3.36Å; L186-L190 VanDerWaalsContact O-N 3.16Å
187P88.4Confident89.8Confident94 Ų9476.7 Ų76.761%0.6144%0.436SS*.Hα-helixtrans-68.5-37-175.325.3-33.5000112.9T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.32Å; P187-L190 PolarHBondContact O-N 2.93Å; P187-I191 PolarHBondContact O-N 3.44Å
188S87Confident90.1Very high38 Ų3880.6 Ų80.627%0.26645%0.451SS..Hα-helixtrans-67.2-34.6174.451.40000112.2N185 L186 L190 I191 I192N185-S188 VanDerWaalsContact CB-OG 3.22Å; N185-S188 WeakPolarHBondContact CB-OG 3.37Å; N185-S188 PolarHBondContact O-OG 3.08Å; L186-S188 PolarHBondContact O-N 2.98Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 2.62Å; S188-I191 PolarHBondContact O-N 2.81Å; S188-I192 WeakPolarHBondContact O-CG1 3.03Å; S188-I192 PolarHBondContact O-N 3.11Å; S188-I192 VanDerWaalsContact O-N 3.12Å
189T91.2Very high90.3Very high22 Ų2280.8 Ų80.814%0.13545%0.451CS..Hα-helixtrans-62.2-41.4175.5-58.50000111.4M181 S182 N185 L186 P187 I191 I192 L193M181-T189 PolarHBondContact O-OG1 2.97Å; M181-T189 VanDerWaalsContact O-OG1 3.09Å; S182-T189 WeakPolarHBondContact CA-OG1 3.49Å; S182-T189 PolarHBondContact N-OG1 3.27Å; N185-T189 PolarHBondContact O-N 3.22Å; N185-T189 PolarHBondContact O-OG1 3.18Å; L186-T189 WeakPolarHBondContact O-CB 3.45Å; L186-T189 PolarHBondContact O-N 3.38Å; P187-T189 VanDerWaalsContact C-N 3.32Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 2.97Å; T189-I192 PolarHBondContact O-N 2.97Å; T189-L193 WeakPolarHBondContact O-CB 3.46Å; T189-L193 PolarHBondContact O-N 3.15Å
190L90.9Very high90.4Very high116 Ų11677.1 Ų77.161%0.60743%0.434SS*.Hα-helixtrans-60.6-41.8177.3-158.188.9000111.6L186 P187 S188 L193 T194L186-L190 PolarHBondContact O-N 3.36Å; L186-L190 VanDerWaalsContact O-N 3.16Å; P187-L190 PolarHBondContact O-N 2.93Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 2.62Å; L190-L193 PolarHBondContact O-N 2.98Å; L190-T194 WeakPolarHBondContact O-CG2 3.36Å; L190-T194 PolarHBondContact O-N 3.05Å
191I92.6Very high90.6Very high104 Ų10479.7 Ų79.753%0.53344%0.44SS..Hα-helixtrans-64.3-43.4178.2-63164.8000111.2P187 S188 T189 L193 T194 I195P187-I191 PolarHBondContact O-N 3.44Å; S188-I191 PolarHBondContact O-N 2.81Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 2.97Å; I191-L193 VanDerWaalsContact C-N 3.33Å; I191-T194 PolarHBondContact O-N 2.86Å; I191-T194 PolarHBondContact O-OG1 3.5Å; I191-I195 HydrophobicContact CG2-CD1 4.31Å; I191-I195 WeakPolarHBondContact O-CG1 3.06Å; I191-I195 PolarHBondContact O-N 2.99Å
192I92.8Very high90.9Very high39 Ų3981.5 Ų81.520%0.245%0.451CS..Hα-helixtrans-71.3-33.6179.7-57166.8000110.4I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.76Å; T178-I192 HydrophobicContact CG2-CB 3.87Å; T178-I192 HydrophobicContact CG2-CG2 3.33Å; M181-I192 HydrophobicContact CB-CD1 4.14Å; M181-I192 HydrophobicContact CG-CD1 3.64Å; S188-I192 WeakPolarHBondContact O-CG1 3.03Å; S188-I192 PolarHBondContact O-N 3.11Å; S188-I192 VanDerWaalsContact O-N 3.12Å; T189-I192 PolarHBondContact O-N 2.97Å; I192-I195 WeakPolarHBondContact O-CB 3.08Å; I192-I195 PolarHBondContact O-N 3.38Å; I192-L196 PolarHBondContact O-N 2.97Å
193L92.3Very high91.1Very high77 Ų7779.1 Ų79.140%0.40343%0.432SS..Hα-helixtrans-62.9-42.4174.1-170.680.7000111.8T189 L190 I191 I195 L196 I197T189-L193 WeakPolarHBondContact O-CB 3.46Å; T189-L193 PolarHBondContact O-N 3.15Å; L190-L193 PolarHBondContact O-N 2.98Å; I191-L193 VanDerWaalsContact C-N 3.33Å; L193-I195 VanDerWaalsContact C-N 3.3Å; L193-I195 PolarHBondContact O-N 2.75Å; L193-L196 WeakPolarHBondContact O-CB 3.23Å; L193-L196 PolarHBondContact O-N 3.45Å; L193-I197 HydrophobicContact CG-CD1 4.41Å; L193-I197 WeakPolarHBondContact O-CG1 3.35Å; L193-I197 PolarHBondContact O-N 3.38Å
194T93.1Very high91.3Very high78 Ų7877.2 Ų77.248%0.47942%0.417SS..Hα-helixtrans-63.9-37.9176.157.40000111.6L190 I191 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.36Å; L190-T194 PolarHBondContact O-N 3.05Å; I191-T194 PolarHBondContact O-N 2.86Å; I191-T194 PolarHBondContact O-OG1 3.5Å; T194-I197 PolarHBondContact O-N 2.88Å; T194-L198 PolarHBondContact O-N 3.05Å
195I94.1Very high91.5Very high83 Ų8374.3 Ų74.343%0.42641%0.408SS..Hα-helixtrans-62.2-43.1173.2-65.2166.7000111I174 I191 I192 L193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.06Å; I191-I195 HydrophobicContact CG2-CD1 4.31Å; I191-I195 WeakPolarHBondContact O-CG1 3.06Å; I191-I195 PolarHBondContact O-N 2.99Å; I192-I195 WeakPolarHBondContact O-CB 3.08Å; I192-I195 PolarHBondContact O-N 3.38Å; L193-I195 VanDerWaalsContact C-N 3.3Å; L193-I195 PolarHBondContact O-N 2.75Å; I195-I197 PolarHBondContact O-N 2.83Å; I195-L198 PolarHBondContact O-N 3.45Å; I195-L199 WeakPolarHBondContact O-CB 3.47Å; I195-L199 PolarHBondContact O-N 3.42Å
196L93.3Very high91.7Very high34 Ų3471.6 Ų71.618%0.17840%0.395CS..Hα-helixtrans-60.4-45.1176.9-178.164000111.5I174 I192 L193 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.24Å; I174-L196 HydrophobicContact CG2-CB 3.92Å; I174-L196 HydrophobicContact CG2-CD1 4.01Å; I174-L196 HydrophobicContact CG2-CG 4.49Å; I192-L196 PolarHBondContact O-N 2.97Å; L193-L196 WeakPolarHBondContact O-CB 3.23Å; L193-L196 PolarHBondContact O-N 3.45Å; L196-L198 PolarHBondContact O-N 3.25Å; L196-L199 WeakPolarHBondContact O-CB 3.25Å; L196-L199 PolarHBondContact O-N 2.87Å; L196-T200 WeakPolarHBondContact O-CG2 3.42Å; L196-T200 PolarHBondContact O-N 3.47Å
197I92.9Very high91.9Very high91 Ų9164.9 Ų64.947%0.46736%0.361SS..Hα-helixtrans-61.1-46.4176.8-66.7164.4000110.4L193 T194 I195 L199 T200 I201L193-I197 HydrophobicContact CG-CD1 4.41Å; L193-I197 WeakPolarHBondContact O-CG1 3.35Å; L193-I197 PolarHBondContact O-N 3.38Å; T194-I197 PolarHBondContact O-N 2.88Å; I195-I197 PolarHBondContact O-N 2.83Å; I197-L199 VanDerWaalsContact C-N 3.29Å; I197-L199 PolarHBondContact O-N 2.98Å; I197-T200 PolarHBondContact O-N 3.31Å; I197-T200 PolarHBondContact O-OG1 3.35Å; I197-I201 HydrophobicContact CG2-CD1 4.22Å; I197-I201 WeakPolarHBondContact O-CG1 3.23Å; I197-I201 PolarHBondContact O-N 2.88Å; I197-I201 VanDerWaalsContact O-N 3.15Å
198L94.8Very high91.9Very high122 Ų12265.9 Ų65.964%0.63936%0.36SS*.Hα-helixtrans-60-41.1178.1-175.464.2000111.9T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 3.05Å; I195-L198 PolarHBondContact O-N 3.45Å; L196-L198 PolarHBondContact O-N 3.25Å; L198-I201 PolarHBondContact O-N 3.16Å; L198-L202 PolarHBondContact O-N 3.11Å
199L93.4Very high92.1Very high22 Ų2268.7 Ų68.712%0.11537%0.371CS..Hα-helixtrans-62.8-42.6176.1-17972.8000111.9L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.37Å; L170-L199 HydrophobicContact CD2-CD1 3.7Å; L170-L199 HydrophobicContact CD2-CD2 3.22Å; L170-L199 HydrophobicContact CD2-CG 4.07Å; L170-L199 HydrophobicContact CG-CD2 4.37Å; M171-L199 HydrophobicContact CB-CD2 4.33Å; M171-L199 HydrophobicContact CG-CD2 3.57Å; M171-L199 HydrophobicContact CG-CG 4.19Å; I174-L199 HydrophobicContact CD1-CD2 4.16Å; I195-L199 WeakPolarHBondContact O-CB 3.47Å; I195-L199 PolarHBondContact O-N 3.42Å; L196-L199 WeakPolarHBondContact O-CB 3.25Å; L196-L199 PolarHBondContact O-N 2.87Å; I197-L199 VanDerWaalsContact C-N 3.29Å; I197-L199 PolarHBondContact O-N 2.98Å; L199-I201 VanDerWaalsContact C-N 3.27Å; L199-I201 PolarHBondContact O-N 2.88Å; L199-L202 HydrophobicContact CD1-CD2 4.47Å; L199-L202 WeakPolarHBondContact O-CB 3.43Å; L199-L202 PolarHBondContact O-N 3.45Å; L199-L202 VanDerWaalsContact O-N 3.16Å; L199-E203 PolarHBondContact O-N 3.44Å
200T91.5Very high92Very high53 Ų5368.1 Ų68.133%0.32537%0.367SS..Hα-helixtrans-61.8-37.9177.960.30000111.9M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.93Å; L196-T200 WeakPolarHBondContact O-CG2 3.42Å; L196-T200 PolarHBondContact O-N 3.47Å; I197-T200 PolarHBondContact O-N 3.31Å; I197-T200 PolarHBondContact O-OG1 3.35Å; T200-E203 PolarHBondContact O-N 3.42Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.47Å; T200-I204 PolarHBondContact O-N 2.94Å
201I92.9Very high91.9Very high102 Ų10262.6 Ų62.652%0.52334%0.338SS..Hα-helixtrans-65-43.1175.5-64.5167.3000110.5I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.22Å; I197-I201 WeakPolarHBondContact O-CG1 3.23Å; I197-I201 PolarHBondContact O-N 2.88Å; I197-I201 VanDerWaalsContact O-N 3.15Å; L198-I201 PolarHBondContact O-N 3.16Å; L199-I201 VanDerWaalsContact C-N 3.27Å; L199-I201 PolarHBondContact O-N 2.88Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.18Å; I201-I204 PolarHBondContact O-N 3.13Å; I201-A205 PolarHBondContact O-N 3.23Å
202L92.3Very high91.8Very high102 Ų10262.5 Ų62.553%0.53433%0.332SS..Hα-helixtrans-59.3-45.5175.5179.766.9000111L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 3.11Å; L199-L202 HydrophobicContact CD1-CD2 4.47Å; L199-L202 WeakPolarHBondContact O-CB 3.43Å; L199-L202 PolarHBondContact O-N 3.45Å; L199-L202 VanDerWaalsContact O-N 3.16Å; L202-I204 PolarHBondContact O-N 2.98Å; L202-A205 WeakPolarHBondContact O-CB 3.32Å; L202-A205 PolarHBondContact O-N 3.07Å; L202-A205 VanDerWaalsContact O-N 3.11Å; L202-V206 HydrophobicContact CD1-CG2 4.36Å; L202-V206 HydrophobicContact CG-CG2 4.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.49Å; L202-V206 PolarHBondContact O-N 2.91Å
203E90.9Very high91.7Very high13 Ų1362.7 Ų62.76%0.06134%0.335CS..Hα-helixtrans-67.2-36.7-176.9-161.364.7-160.200112.2L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.49Å; L87-E203 HydrophobicContact CD2-CB 4.17Å; L87-E203 HydrophobicContact CD2-CG 3.42Å; L87-E203 VanDerWaalsContact CD2-CG 3.42Å; G167-E203 WeakPolarHBondContact CA-OE2 3.44Å; M171-E203 HydrophobicContact CE-CG 4.17Å; L199-E203 PolarHBondContact O-N 3.44Å; T200-E203 PolarHBondContact O-N 3.42Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.18Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.48Å; E203-V206 PolarHBondContact O-N 3.03Å; E203-A207 VanDerWaalsContact O-CB 3.31Å; E203-A207 WeakPolarHBondContact O-CB 3.49Å; E203-A207 PolarHBondContact O-N 3.49Å
204I91.1Very high91.5Very high83 Ų8359 Ų5943%0.42632%0.316SS..Hα-helixtrans-59.3-43.2171.5-67.3164.4000110.7L84 L87 T200 I201 L202 L208L84-I204 HydrophobicContact CD1-CG2 4.31Å; L87-I204 HydrophobicContact CD1-CB 4.2Å; L87-I204 HydrophobicContact CD1-CG1 3.6Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.47Å; T200-I204 PolarHBondContact O-N 2.94Å; I201-I204 PolarHBondContact O-N 3.13Å; L202-I204 PolarHBondContact O-N 2.98Å; I204-L208 PolarHBondContact O-N 2.66Å
205A92Very high91.3Very high45 Ų4555.3 Ų55.337%0.37229%0.293SS..Hα-helixtrans-65.9-45.3177.300000111.6I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 3.23Å; L202-A205 WeakPolarHBondContact O-CB 3.32Å; L202-A205 PolarHBondContact O-N 3.07Å; L202-A205 VanDerWaalsContact O-N 3.11Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.48Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 2.95Å; A205-L208 PolarHBondContact O-N 3.43Å; A205-I209 WeakPolarHBondContact O-CB 3.43Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.42Å; A205-I209 PolarHBondContact O-N 2.89Å
206V91.9Very high91Very high39 Ų3954.2 Ų54.224%0.23629%0.288CS..Hα-helixtrans-61.3-42.6178.11730000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.08Å; L202-V206 HydrophobicContact CD1-CG2 4.36Å; L202-V206 HydrophobicContact CG-CG2 4.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.49Å; L202-V206 PolarHBondContact O-N 2.91Å; E203-V206 PolarHBondContact O-N 3.03Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3Å; V206-I209 PolarHBondContact O-N 3.36Å; V206-Q210 WeakPolarHBondContact O-CB 3.46Å; V206-Q210 PolarHBondContact O-N 3.46Å
207A89.5Confident90.7Very high5 Ų554.3 Ų54.34%0.04129%0.288CS..Hα-helixtrans-57.3-42.4178.200000112.8N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.94Å; L87-A207 HydrophobicContact CD1-CB 4.13Å; E203-A207 VanDerWaalsContact O-CB 3.31Å; E203-A207 WeakPolarHBondContact O-CB 3.49Å; E203-A207 PolarHBondContact O-N 3.49Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 2.95Å; A207-A211 PolarHBondContact O-N 2.95Å
208L89.2Confident90.4Very high115 Ų11550.3 Ų50.360%0.60227%0.268SS*.Hα-helixtrans-74.9-45179-169.4149000112I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 2.66Å; A205-L208 PolarHBondContact O-N 3.43Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.37Å; L208-A211 PolarHBondContact O-N 2.81Å; L208-Y212 PolarHBondContact O-N 3.48Å; L208-Y212 VanDerWaalsContact O-N 3.16Å
209I91.1Very high90Very high97 Ų9745.1 Ų45.150%0.49724%0.242SC..Hα-helixtrans-60.9-40.3178.2-68.7166.7000110.4A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.43Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.42Å; A205-I209 PolarHBondContact O-N 2.89Å; V206-I209 PolarHBondContact O-N 3.36Å; I209-A211 PolarHBondContact O-N 3Å; I209-Y212 WeakPolarHBondContact O-CB 3.47Å; I209-Y212 PolarHBondContact O-N 3.28Å; I209-V213 HydrophobicContact CG2-CG2 4.03Å; I209-V213 WeakPolarHBondContact O-CG2 3.28Å; I209-V213 PolarHBondContact O-N 2.98Å
210Q89.4Confident89.6Confident10 Ų1047.7 Ų47.75%0.04726%0.255CS..Hα-helixtrans-65.8-38.7-178.3-173.862.210.900112.1R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.33Å; L160-Q210 HydrophobicContact CB-CG 4.15Å; L160-Q210 HydrophobicContact CD1-CG 3.68Å; L160-Q210 HydrophobicContact CG-CG 3.73Å; L160-Q210 VanDerWaalsContact N-NE2 3.12Å; V206-Q210 WeakPolarHBondContact O-CB 3.46Å; V206-Q210 PolarHBondContact O-N 3.46Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.37Å; Q210-Y212 VanDerWaalsContact C-N 3.34Å; Q210-F214 VanDerWaalsContact O-CB 3.3Å; Q210-F214 WeakPolarHBondContact O-CB 3.37Å; Q210-F214 PolarHBondContact O-N 3.2Å
211A89.9Confident89.1Confident0 Ų046.1 Ų46.10%024%0.243CC..Hα-helixtrans-62.3-42.6172.500000111.6I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.43Å; I79-A211 HydrophobicContact CB-CB 4.03Å; I79-A211 HydrophobicContact CG2-CB 3.71Å; A80-A211 HydrophobicContact CB-CB 3.92Å; A207-A211 PolarHBondContact O-N 2.95Å; L208-A211 PolarHBondContact O-N 2.81Å; I209-A211 PolarHBondContact O-N 3Å; A211-T215 WeakPolarHBondContact O-CG2 3.31Å; A211-T215 PolarHBondContact O-N 3.37Å; A211-T215 PolarHBondContact O-OG1 3.36Å; A211-T215 VanDerWaalsContact O-OG1 3.11Å
212Y89.9Confident88.6Confident102 Ų10241.3 Ų41.340%0.422%0.219SC..Hα-helixtrans-63.7-51.1176.8177.4-101.6000112.3M57 I76 L208 I209 Q210 F214 T215 L216M57-Y212 HydrophobicContact CE-CD2 4.47Å; I76-Y212 HydrophobicContact CD1-CD2 4.19Å; L208-Y212 PolarHBondContact O-N 3.48Å; L208-Y212 VanDerWaalsContact O-N 3.16Å; I209-Y212 WeakPolarHBondContact O-CB 3.47Å; I209-Y212 PolarHBondContact O-N 3.28Å; Q210-Y212 VanDerWaalsContact C-N 3.34Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 3.15Å; Y212-T215 PolarHBondContact O-N 3.32Å; Y212-T215 PolarHBondContact O-OG1 2.68Å; Y212-L216 HydrophobicContact CE1-CD1 3.65Å; Y212-L216 HydrophobicContact CE2-CD1 4.46Å; Y212-L216 VanDerWaalsContact O-CB 3.31Å; Y212-L216 WeakPolarHBondContact O-CB 3.41Å; Y212-L216 PolarHBondContact O-N 3.49Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.41Å
213V90.1Very high88.1Confident43 Ų4340.8 Ų40.826%0.26121%0.213SC..Hα-helixtrans-61.7-38.4179.8172.80000111.4I209 L217I209-V213 HydrophobicContact CG2-CG2 4.03Å; I209-V213 WeakPolarHBondContact O-CG2 3.28Å; I209-V213 PolarHBondContact O-N 2.98Å; V213-L217 HydrophobicContact CG1-CD1 3.88Å; V213-L217 WeakPolarHBondContact O-CG 3.42Å; V213-L217 PolarHBondContact O-N 3.18Å
214F87.8Confident87.5Confident1 Ų143.5 Ų43.50%0.00423%0.229CC..Hα-helixtrans-57.3-53.8176.1-173-82.6000111.3L75 I79 A105 L108 L156 L160 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4Å; L75-F214 HydrophobicContact CD2-CD1 3.87Å; L75-F214 HydrophobicContact CD2-CE1 3.79Å; L75-F214 HydrophobicContact CG-CD1 4.26Å; L75-F214 HydrophobicContact CG-CE1 4.14Å; I79-F214 HydrophobicContact CD1-CB 4.25Å; I79-F214 HydrophobicContact CD1-CD1 3.29Å; I79-F214 HydrophobicContact CD1-CD2 4.37Å; I79-F214 HydrophobicContact CD1-CE1 3.63Å; I79-F214 HydrophobicContact CD1-CG 3.73Å; I79-F214 HydrophobicContact CD1-CZ 4.3Å; A105-F214 HydrophobicContact CB-CE2 4.35Å; A105-F214 HydrophobicContact CB-CZ 4.17Å; L108-F214 HydrophobicContact CD1-CE1 4.12Å; L156-F214 HydrophobicContact CD1-CD2 4.22Å; L156-F214 HydrophobicContact CD2-CD1 4.21Å; L156-F214 HydrophobicContact CD2-CD2 3.3Å; L156-F214 HydrophobicContact CD2-CE1 4.06Å; L156-F214 HydrophobicContact CD2-CE2 3.12Å; L156-F214 HydrophobicContact CD2-CG 3.86Å; L156-F214 HydrophobicContact CD2-CZ 3.54Å; L156-F214 HydrophobicContact CG-CD2 3.44Å; L156-F214 VanDerWaalsContact CG-CD2 3.44Å; L156-F214 HydrophobicContact CG-CE2 3.62Å; L156-F214 HydrophobicContact CG-CG 4.2Å; L156-F214 HydrophobicContact CG-CZ 4.49Å; L160-F214 HydrophobicContact CD1-CB 4.47Å; L160-F214 HydrophobicContact CD1-CD2 4.06Å; L160-F214 HydrophobicContact CD1-CG 4.5Å; Q210-F214 VanDerWaalsContact O-CB 3.3Å; Q210-F214 WeakPolarHBondContact O-CB 3.37Å; Q210-F214 PolarHBondContact O-N 3.2Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 3.15Å; F214-L217 PolarHBondContact O-N 3.37Å; F214-V218 HydrophobicContact CD1-CG2 4.41Å; F214-V218 HydrophobicContact CE1-CG2 4.22Å; F214-V218 WeakPolarHBondContact O-CG2 3.2Å; F214-V218 PolarHBondContact O-N 3.29Å
215T89.1Confident86.7Confident0 Ų041 Ų410%022%0.216CC..Hα-helixtrans-70.6-35.1-177.257.60000113.1M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.45Å; L75-T215 HydrophobicContact CB-CG2 4.13Å; L75-T215 HydrophobicContact CD2-CG2 3.53Å; L75-T215 HydrophobicContact CG-CG2 3.77Å; I76-T215 VanDerWaalsContact CA-CG2 3.47Å; I76-T215 HydrophobicContact CB-CG2 3.47Å; I76-T215 VanDerWaalsContact CB-CG2 3.47Å; I76-T215 HydrophobicContact CG1-CG2 4.12Å; A211-T215 WeakPolarHBondContact O-CG2 3.31Å; A211-T215 PolarHBondContact O-N 3.37Å; A211-T215 PolarHBondContact O-OG1 3.36Å; A211-T215 VanDerWaalsContact O-OG1 3.11Å; Y212-T215 PolarHBondContact O-N 3.32Å; Y212-T215 PolarHBondContact O-OG1 2.68Å; T215-V218 PolarHBondContact O-N 2.91Å; T215-S219 WeakPolarHBondContact O-CB 3.36Å; T215-S219 PolarHBondContact O-N 3.2Å
216L88.4Confident85.6Confident60 Ų6040.2 Ų40.231%0.31421%0.207SC..Hα-helixtrans-62.7-44.9175.6-175.6148.5000111.4Y212 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.65Å; Y212-L216 HydrophobicContact CE2-CD1 4.46Å; Y212-L216 VanDerWaalsContact O-CB 3.31Å; Y212-L216 WeakPolarHBondContact O-CB 3.41Å; Y212-L216 PolarHBondContact O-N 3.49Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.41Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.48Å; L216-S219 PolarHBondContact O-N 2.99Å; L216-S219 VanDerWaalsContact O-N 3.16Å; L216-S219 PolarHBondContact O-OG 3.09Å; L216-L220 PolarHBondContact O-N 3.25Å
217L86.6Confident85.3Confident36 Ų3640.3 Ų40.319%0.18821%0.205CC..Hα-helixtrans-63.5-43177.6-75.9166.7000111.6L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 3.86Å; L156-L217 HydrophobicContact CD1-CD1 3.35Å; L156-L217 HydrophobicContact CD1-CG 4.23Å; V213-L217 HydrophobicContact CG1-CD1 3.88Å; V213-L217 WeakPolarHBondContact O-CG 3.42Å; V213-L217 PolarHBondContact O-N 3.18Å; F214-L217 PolarHBondContact O-N 3.37Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 2.99Å; L217-L220 PolarHBondContact O-N 2.8Å; L217-Y221 HydrophobicContact CB-CE2 4.14Å; L217-Y221 WeakPolarHBondContact O-CD2 3.47Å; L217-Y221 WeakPolarHBondContact O-CE2 3.4Å; L217-Y221 PolarHBondContact O-N 2.92Å
218V86Confident85.1Confident7 Ų742.2 Ų42.24%0.04221%0.214CC..Hα-helixtrans-59.2-40.8173.1177.50000111.3L72 L108 L156 F214 T215 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.21Å; L72-V218 HydrophobicContact CD2-CG1 3.84Å; L108-V218 HydrophobicContact CB-CG1 4.32Å; L156-V218 HydrophobicContact CD2-CG2 4.29Å; F214-V218 HydrophobicContact CD1-CG2 4.41Å; F214-V218 HydrophobicContact CE1-CG2 4.22Å; F214-V218 WeakPolarHBondContact O-CG2 3.2Å; F214-V218 PolarHBondContact O-N 3.29Å; T215-V218 PolarHBondContact O-N 2.91Å; V218-Y221 PolarHBondContact O-N 3.29Å; V218-L222 PolarHBondContact O-N 3Å; V218-L222 VanDerWaalsContact O-N 3.08Å
219S86.8Confident84.9Confident12 Ų1238.1 Ų38.18%0.08419%0.192CC..Hα-helixtrans-66.4-38.417786.70000112.2H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact CE1-O 3.2Å; H61-S219 PolarHBondContact NE2-O 3.08Å; T215-S219 WeakPolarHBondContact O-CB 3.36Å; T215-S219 PolarHBondContact O-N 3.2Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.48Å; L216-S219 PolarHBondContact O-N 2.99Å; L216-S219 VanDerWaalsContact O-N 3.16Å; L216-S219 PolarHBondContact O-OG 3.09Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 2.99Å; S219-L222 WeakPolarHBondContact O-CB 3.32Å; S219-L222 PolarHBondContact O-N 3.12Å; S219-H223 PolarHBondContact O-N 3.36Å
220L84.8Confident84.5Confident76 Ų7634.6 Ų34.640%0.39817%0.174SC..Hα-helixtrans-66.1-41.3177.1-170.9147.2000110.9L216 L217 L222 H223 D224L216-L220 PolarHBondContact O-N 3.25Å; L217-L220 PolarHBondContact O-N 2.8Å; L220-L222 VanDerWaalsContact C-N 3.26Å; L220-L222 PolarHBondContact O-N 3.28Å; L220-H223 WeakPolarHBondContact O-CA 3.4Å; L220-H223 WeakPolarHBondContact O-CB 3.46Å; L220-H223 PolarHBondContact O-N 2.9Å; L220-H223 VanDerWaalsContact O-N 3.07Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.42Å; L220-D224 PolarHBondContact O-N 3.21Å
221Y80.8Confident84.2Confident20 Ų2036.2 Ų36.28%0.07818%0.182CC..Hα-helixtrans-60.9-38.1172.6-60.4-45.7000112.5Q152 L217 V218 H223 N225Q152-Y221 HydrophobicContact CG-CE1 4.33Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.5Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.27Å; Q152-Y221 PolarHBondContact NE2-OH 3.27Å; Q152-Y221 PolarHBondContact OE1-OH 3.24Å; L217-Y221 HydrophobicContact CB-CE2 4.14Å; L217-Y221 WeakPolarHBondContact O-CD2 3.47Å; L217-Y221 WeakPolarHBondContact O-CE2 3.4Å; L217-Y221 PolarHBondContact O-N 2.92Å; V218-Y221 PolarHBondContact O-N 3.29Å; Y221-H223 VanDerWaalsContact C-N 3.32Å; Y221-N225 WeakPolarHBondContact O-CB 3.22Å; Y221-N225 PolarHBondContact O-N 3.45Å; Y221-N225 VanDerWaalsContact O-N 3.15Å; Y221-N225 PolarHBondContact O-ND2 3.41Å
222L82.2Confident83.8Confident2 Ų238.6 Ų38.61%0.0119%0.194CC..Hα-helixtrans-65.8-40.2175.4-167.676.2000111W68 A112 M115 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.48Å; W68-L222 VanDerWaalsContact CB-CD2 3.48Å; W68-L222 HydrophobicContact CD2-CD1 3.65Å; W68-L222 HydrophobicContact CD2-CD2 4.12Å; W68-L222 HydrophobicContact CE3-CD1 3.77Å; W68-L222 HydrophobicContact CE3-CD2 4.4Å; W68-L222 HydrophobicContact CG-CD1 3.96Å; W68-L222 HydrophobicContact CG-CD2 3.65Å; W68-L222 HydrophobicContact CG-CG 4.48Å; W68-L222 HydrophobicContact CZ3-CD1 4.35Å; A112-L222 HydrophobicContact CB-CD1 4.4Å; M115-L222 HydrophobicContact SD-CD1 4.29Å; V218-L222 PolarHBondContact O-N 3Å; V218-L222 VanDerWaalsContact O-N 3.08Å; S219-L222 WeakPolarHBondContact O-CB 3.32Å; S219-L222 PolarHBondContact O-N 3.12Å; L220-L222 VanDerWaalsContact C-N 3.26Å; L220-L222 PolarHBondContact O-N 3.28Å; L222-N225 PolarHBondContact O-N 3.47Å; L222-T226 HydrophobicContact CD1-CG2 4.45Å; L222-T226 HydrophobicContact CG-CG2 4.28Å; L222-T226 WeakPolarHBondContact O-CB 3.42Å; L222-T226 WeakPolarHBondContact O-CG2 3.36Å; L222-T226 PolarHBondContact O-N 3.37Å; L222-T226 VanDerWaalsContact O-N 3.13Å; L222-T226 PolarHBondContact O-OG1 3.47Å
223H82.2Confident83.4Confident90 Ų9034.1 Ų34.142%0.41718%0.18SC..Hα-helixtrans-60.4-50.6176-174.384.2000111.6M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 2.79Å; M60-H223 PolarHBondContact O-ND1 3.3Å; S219-H223 PolarHBondContact O-N 3.36Å; L220-H223 WeakPolarHBondContact O-CA 3.4Å; L220-H223 WeakPolarHBondContact O-CB 3.46Å; L220-H223 PolarHBondContact O-N 2.9Å; L220-H223 VanDerWaalsContact O-N 3.07Å; Y221-H223 VanDerWaalsContact C-N 3.32Å; H223-N225 PolarHBondContact O-N 3.41Å; H223-T226 PolarHBondContact O-N 3.01Å; H223-T226 VanDerWaalsContact O-N 3.16Å; H223-T226 PolarHBondContact O-OG1 3.16Å
224D79.1Confident82.9Confident71 Ų7133.4 Ų33.438%0.3817%0.173SC..Hα-helixtrans-62-30.7-179.4-64.4-16.4000112.5L220L220-D224 WeakPolarHBondContact CD2-OD2 3.42Å; L220-D224 PolarHBondContact O-N 3.21Å
225N74.6Confident82.5Confident30 Ų3036.1 Ų36.116%0.1619%0.188CC..THydrogen-bonded Turntrans-91.7-1.1-179.8-74.6-70.2000114.5G116 Y221 L222 H223G116-N225 VanDerWaalsContact CA-O 3.22Å; G116-N225 WeakPolarHBondContact CA-O 3.35Å; Y221-N225 WeakPolarHBondContact O-CB 3.22Å; Y221-N225 PolarHBondContact O-N 3.45Å; Y221-N225 VanDerWaalsContact O-N 3.15Å; Y221-N225 PolarHBondContact O-ND2 3.41Å; L222-N225 PolarHBondContact O-N 3.47Å; H223-N225 PolarHBondContact O-N 3.41Å
226T69.3Low81.9Confident29 Ų2939.4 Ų39.418%0.17821%0.205CC..  trans-108.80-177.851.30000115.1M115 K120 L222 H223M115-T226 HydrophobicContact CE-CG2 4.43Å; K120-T226 WeakPolarHBondContact CE-O 3.43Å; K120-T226 PolarHBondContact NZ-O 3.36Å; K120-T226 PolarHBondContact NZ-OXT 3.18Å; L222-T226 HydrophobicContact CD1-CG2 4.45Å; L222-T226 HydrophobicContact CG-CG2 4.28Å; L222-T226 WeakPolarHBondContact O-CB 3.42Å; L222-T226 WeakPolarHBondContact O-CG2 3.36Å; L222-T226 PolarHBondContact O-N 3.37Å; L222-T226 VanDerWaalsContact O-N 3.13Å; L222-T226 PolarHBondContact O-OG1 3.47Å; H223-T226 PolarHBondContact O-N 3.01Å; H223-T226 VanDerWaalsContact O-N 3.16Å; H223-T226 PolarHBondContact O-OG1 3.16Å

Retrieved 226 of 226 residues in 289.3 ms (Link to these results)

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