A0A096YAI4_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A096YAI4, 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
1M54.7Low73.6Confident202 Ų20298.6 Ų98.6100%0.99553%0.532SS*.  0-38.30-76.2176.5115.900112.8E3 N4M1-E3 PolarHBondContact O-N 3.43Å; M1-N4 PolarHBondContact O-N 3.35Å
2N52.8Low74.4Confident145 Ų14593.8 Ų93.878%0.77551%0.509SS*.THydrogen-bonded Turntrans-58.5-37.8-177.5-89.319.7000115.7
3E60.7Low75.4Confident164 Ų16494.2 Ų94.277%0.76652%0.517SS*.THydrogen-bonded Turntrans-84.2-17.3-177.7-60.6-147.7160.400114.3M1 L5 F6 A7M1-E3 PolarHBondContact O-N 3.43Å; E3-L5 VanDerWaalsContact C-N 3.29Å; E3-L5 PolarHBondContact O-N 3.3Å; E3-F6 PolarHBondContact O-N 3.35Å; E3-A7 PolarHBondContact O-N 3.13Å
4N74.3Confident76.2Confident116 Ų11695.9 Ų95.962%0.6252%0.523SS*.THydrogen-bonded Turntrans-70.5-28.5-176.3-66.27.9000112.1M1M1-N4 PolarHBondContact O-N 3.35Å
5L75.3Confident76.8Confident45 Ų45101.2 Ų101.224%0.23655%0.55CS..THydrogen-bonded Turntrans-68.7-35.8178.1-70.5174.4000112.3E3 H172 L173E3-L5 VanDerWaalsContact C-N 3.29Å; E3-L5 PolarHBondContact O-N 3.3Å; L5-H172 VanDerWaalsContact CD2-CE1 3.42Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.29Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.48Å; L5-L173 HydrophobicContact CD1-CD2 4.23Å; L5-L173 HydrophobicContact CD2-CD2 4.35Å
6F81.6Confident77.2Confident113 Ų11399.3 Ų99.350%0.49656%0.561SS.*THydrogen-bonded Turntrans-93.8-8.5-176.7-67.1-76.5000113.7E3 S8 F9 L169E3-F6 PolarHBondContact O-N 3.35Å; F6-S8 PolarHBondContact O-N 2.94Å; F6-S8 VanDerWaalsContact O-N 3.15Å; F6-F9 AromaticContact CD1-CD2 3.93Å; F6-F9 HydrophobicContact CD1-CD2 3.93Å; F6-F9 HydrophobicContact CD1-CE2 4.28Å; F6-F9 PolarHBondContact O-N 3.42Å; F6-L169 HydrophobicContact CD1-CD2 4.41Å; F6-L169 HydrophobicContact CE1-CD1 4.11Å; F6-L169 HydrophobicContact CE1-CD2 4.05Å; F6-L169 HydrophobicContact CZ-CD2 4.44Å
7A79.9Confident77.6Confident54 Ų54100.8 Ų100.845%0.44657%0.566SS.*G310 helixtrans-55.8-32.7-179.600000113E3 F9 I10E3-A7 PolarHBondContact O-N 3.13Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 3.06Å; A7-I10 PolarHBondContact O-N 3.36Å
8S79.6Confident78Confident56 Ų5699.6 Ų99.639%0.39256%0.563SS.*G310 helixtrans-68.6-20.5176.856.90000114.1F6 F92F6-S8 PolarHBondContact O-N 2.94Å; F6-S8 VanDerWaalsContact O-N 3.15Å; S8-F92 WeakPolarHBondContact O-CD2 3.11Å
9F82.8Confident78.4Confident19 Ų1995.3 Ų95.38%0.08354%0.542CS..G310 helixtrans-92.7-10.8178.5-58.1-69.1000113F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 AromaticContact CD1-CD2 3.93Å; F6-F9 HydrophobicContact CD1-CD2 3.93Å; F6-F9 HydrophobicContact CD1-CE2 4.28Å; F6-F9 PolarHBondContact O-N 3.42Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 3.06Å; F9-A11 PolarHBondContact O-N 3.48Å; F9-T96 HydrophobicContact CD1-CG2 3.84Å; F9-T96 HydrophobicContact CE1-CG2 3.74Å; F9-Q97 PolarHBondContact O-NE2 3.13Å; F9-T165 HydrophobicContact CD1-CG2 4.34Å; F9-T165 HydrophobicContact CE1-CG2 4.06Å; F9-H168 HydrophobicContact CE1-CB 4.06Å; F9-H168 HydrophobicContact CZ-CB 3.79Å; F9-L169 HydrophobicContact CE2-CD1 4.5Å; F9-L169 HydrophobicContact CE2-CD2 3.69Å; F9-L169 HydrophobicContact CE2-CG 3.8Å; F9-L169 HydrophobicContact CZ-CD2 4.3Å; F9-L169 HydrophobicContact CZ-CG 3.94Å
10I84.8Confident78.8Confident119 Ų11991.6 Ų91.661%0.6152%0.523SS*.SBendtrans-69.4129.4178.6-58.8175000108.4A7 P12A7-I10 PolarHBondContact O-N 3.36Å; I10-P12 WeakPolarHBondContact O-CD 3.4Å
11A83.3Confident79.1Confident52 Ų5291.1 Ų91.143%0.4352%0.522SS..PPolyproline II helixtrans-59.1121.7-179.900000110.2F9 T13F9-A11 PolarHBondContact O-N 3.48Å; A11-T13 PolarHBondContact O-N 2.95Å
12P83.6Confident80.6Confident40 Ų4087.5 Ų87.526%0.2651%0.506SS..PPolyproline II helixtrans-72.2125.5-174.227.1-33.3000110.4I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.4Å; P12-A19 HydrophobicContact CB-CB 4.25Å; P12-A19 HydrophobicContact CG-CB 4.34Å; P12-A19 WeakPolarHBondContact O-CB 3.49Å; P12-A19 PolarHBondContact O-N 3.06Å; P12-I23 HydrophobicContact CG-CD1 3.62Å; P12-F92 HydrophobicContact CG-CB 4.4Å; P12-F92 HydrophobicContact CG-CD1 4.13Å; P12-F92 HydrophobicContact CG-CG 4.09Å
13T86.8Confident82.2Confident99 Ų9983 Ų8361%0.60748%0.481SS*.EExtended strand (participates in β ladder)trans-115.8119.6170.755.70000109.3A11 L17A11-T13 PolarHBondContact O-N 2.95Å; T13-L17 CarbonylContact C-O 3.6Å; T13-L17 VanDerWaalsContact CA-O 3.25Å; T13-L17 WeakPolarHBondContact CA-O 3.41Å
14I86.6Confident83.6Confident119 Ų11977.7 Ų77.761%0.6146%0.458SS*.EExtended strand (participates in β ladder)trans-102.3120.6174.4-63.7171.4000107G16 L17 A19I14-G16 PolarHBondContact O-N 2.98Å; I14-G16 VanDerWaalsContact O-N 3.14Å; I14-L17 PolarHBondContact N-O 3.11Å; I14-L17 PolarHBondContact O-N 2.99Å; I14-A19 HydrophobicContact CB-CB 4.46Å; I14-A19 HydrophobicContact CD1-CB 3.85Å; I14-A19 HydrophobicContact CG1-CB 3.92Å
15L84.8Confident84.2Confident175 Ų17577.8 Ų77.892%0.91646%0.457SS*.THydrogen-bonded Turntrans5632.5175.4-143.9123.6000113.8L17L15-L17 VanDerWaalsContact C-N 3.3Å; L15-L17 PolarHBondContact O-N 3.25Å
16G83.4Confident84.8Confident71 Ų7180 Ų8073%0.73247%0.465SS*.THydrogen-bonded Turntrans82.6-4.4-176.900000115.4I14I14-G16 PolarHBondContact O-N 2.98Å; I14-G16 VanDerWaalsContact O-N 3.14Å
17L84.1Confident85.1Confident125 Ų12574.9 Ų74.965%0.65444%0.443SS*.EExtended strand (participates in β ladder)trans-94.3139.9174.3-67.2167.7000111.1T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.6Å; T13-L17 VanDerWaalsContact CA-O 3.25Å; T13-L17 WeakPolarHBondContact CA-O 3.41Å; I14-L17 PolarHBondContact N-O 3.11Å; I14-L17 PolarHBondContact O-N 2.99Å; L15-L17 VanDerWaalsContact C-N 3.3Å; L15-L17 PolarHBondContact O-N 3.25Å; L17-A19 PolarHBondContact O-N 3.18Å
18P85Confident85.4Confident79 Ų7975.6 Ų75.651%0.51344%0.443SS..EExtended strand (participates in β ladder)trans-71.3102178.129.2-33.5000110.6A20 V21P18-A20 PolarHBondContact O-N 2.96Å; P18-V21 HydrophobicContact CB-CG2 4.47Å; P18-V21 HydrophobicContact CG-CG2 4.21Å; P18-V21 PolarHBondContact O-N 3.3Å
19A85.8Confident85.8Confident18 Ų1879.3 Ų79.315%0.14946%0.458CS..THydrogen-bonded Turntrans-69.2-16176.900000112.4P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.25Å; P12-A19 HydrophobicContact CG-CB 4.34Å; P12-A19 WeakPolarHBondContact O-CB 3.49Å; P12-A19 PolarHBondContact O-N 3.06Å; I14-A19 HydrophobicContact CB-CB 4.46Å; I14-A19 HydrophobicContact CD1-CB 3.85Å; I14-A19 HydrophobicContact CG1-CB 3.92Å; L17-A19 PolarHBondContact O-N 3.18Å; A19-V21 PolarHBondContact O-N 3.46Å; A19-L22 PolarHBondContact O-N 2.9Å; A19-L22 VanDerWaalsContact O-N 3.1Å; A19-I23 PolarHBondContact O-N 2.87Å
20A85.7Confident86Confident20 Ų2082.1 Ų82.117%0.16547%0.473CS..Hα-helixtrans-53.3-33.8172.700000113.1P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 2.96Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 3.01Å; A20-I23 PolarHBondContact O-N 2.96Å; A20-I24 WeakPolarHBondContact O-CD1 2.93Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.31Å; A20-I24 PolarHBondContact O-N 3.48Å; A20-F92 HydrophobicContact CB-CE1 4.36Å
21V85.4Confident86.2Confident82 Ų8279 Ų7950%0.49746%0.458SS..Hα-helixtrans-63.4-42.2178.9-179.80000111.2P18 A19 I23 I24 L25P18-V21 HydrophobicContact CB-CG2 4.47Å; P18-V21 HydrophobicContact CG-CG2 4.21Å; P18-V21 PolarHBondContact O-N 3.3Å; A19-V21 PolarHBondContact O-N 3.46Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.43Å; V21-I24 PolarHBondContact O-N 3.08Å; V21-L25 HydrophobicContact CG1-CD1 4.12Å; V21-L25 WeakPolarHBondContact O-CG 3.47Å; V21-L25 PolarHBondContact O-N 3.29Å; V21-L25 VanDerWaalsContact O-N 3.08Å
22L86.2Confident86.3Confident126 Ų12679.2 Ų79.266%0.6646%0.455SS*.Hα-helixtrans-66-38.8178.9-166.2149.1000111A19 A20 L25 F26A19-L22 PolarHBondContact O-N 2.9Å; A19-L22 VanDerWaalsContact O-N 3.1Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 3.01Å; L22-L25 PolarHBondContact O-N 3.31Å; L22-F26 PolarHBondContact O-N 3Å
23I87.5Confident86.4Confident52 Ų5283.9 Ų83.927%0.26748%0.482SS..Hα-helixtrans-66.2-40.9177.3-61.7163.5000110.9P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.62Å; A19-I23 PolarHBondContact O-N 2.87Å; A20-I23 PolarHBondContact O-N 2.96Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.43Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.5Å; I23-F26 WeakPolarHBondContact O-CB 3.35Å; I23-F26 PolarHBondContact O-N 3.45Å; I23-P27 VanDerWaalsContact O-CD 3.29Å; I23-P27 WeakPolarHBondContact O-CD 3.12Å; I23-F92 HydrophobicContact CD1-CB 4.09Å; I23-F92 HydrophobicContact CD1-CD1 3.9Å; I23-F92 HydrophobicContact CD1-CG 4.37Å; I23-F92 HydrophobicContact CG2-CD1 4.41Å; I23-F92 WeakPolarHBondContact CG2-O 3.3Å
24I88.3Confident86.4Confident52 Ų5281 Ų8127%0.26747%0.466SS..Hα-helixtrans-65.8-31.9176.5-68.6163.8000111.9A20 V21 F26 P27 F78 P94 M100A20-I24 WeakPolarHBondContact O-CD1 2.93Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.31Å; A20-I24 PolarHBondContact O-N 3.48Å; V21-I24 PolarHBondContact O-N 3.08Å; I24-F26 VanDerWaalsContact C-N 3.34Å; I24-P27 WeakPolarHBondContact O-CD 3.46Å; I24-F78 HydrophobicContact CG2-CZ 4.33Å; I24-P94 HydrophobicContact CD1-CB 4.23Å; I24-P94 HydrophobicContact CG1-CB 3.67Å; I24-P94 HydrophobicContact CG1-CG 4.02Å; I24-M100 HydrophobicContact CD1-SD 4.46Å; I24-M100 HydrophobicContact CG2-CE 4.37Å
25L87.4Confident86.3Confident117 Ų11785.7 Ų85.761%0.61348%0.482SS*.Hα-helixtrans-81.2-11.3178-72.1171.2000113.8V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.12Å; V21-L25 WeakPolarHBondContact O-CG 3.47Å; V21-L25 PolarHBondContact O-N 3.29Å; V21-L25 VanDerWaalsContact O-N 3.08Å; L22-L25 PolarHBondContact O-N 3.31Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.5Å; L25-P28 WeakPolarHBondContact O-CD 3.44Å
26F88.7Confident86.4Confident93 Ų9386.2 Ų86.241%0.40847%0.474SS..Hα-helixtrans-68.8-44.8-177.7-168.7-99.9000114.9L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 3Å; I23-F26 WeakPolarHBondContact O-CB 3.35Å; I23-F26 PolarHBondContact O-N 3.45Å; I24-F26 VanDerWaalsContact C-N 3.34Å; F26-L29 VanDerWaalsContact O-CB 3.31Å; F26-L29 WeakPolarHBondContact O-CB 3.23Å; F26-L29 PolarHBondContact O-N 3.19Å; F26-L30 HydrophobicContact CD1-CD1 4.45Å; F26-L30 HydrophobicContact CE1-CD1 4.19Å; F26-L30 HydrophobicContact CE1-CD2 4.1Å; F26-L30 HydrophobicContact CE1-CG 4.22Å; F26-L30 HydrophobicContact CZ-CD2 4.35Å; F26-L85 HydrophobicContact CD1-CD1 4.26Å; F26-L85 HydrophobicContact CD1-CD2 3.7Å; F26-L85 HydrophobicContact CE1-CD2 3.62Å
27P88.5Confident86.1Confident4 Ų491.3 Ų91.33%0.02648%0.483CS..Hα-helixtrans-57.2-42.6-179-10.714.8000114.9I23 I24 L29 L30 T81 T82 L85I23-P27 VanDerWaalsContact O-CD 3.29Å; I23-P27 WeakPolarHBondContact O-CD 3.12Å; I24-P27 WeakPolarHBondContact O-CD 3.46Å; P27-L29 PolarHBondContact O-N 3.1Å; P27-L30 WeakPolarHBondContact O-CB 3.44Å; P27-L30 PolarHBondContact O-N 2.89Å; P27-L30 VanDerWaalsContact O-N 3.08Å; P27-T81 WeakPolarHBondContact CB-OG1 3.44Å; P27-T82 HydrophobicContact CB-CG2 4.24Å; P27-T82 HydrophobicContact CG-CG2 3.46Å; P27-T82 VanDerWaalsContact CG-CG2 3.46Å; P27-L85 HydrophobicContact CB-CD1 3.86Å; P27-L85 HydrophobicContact CG-CD1 3.98Å
28P85.3Confident86.1Confident69 Ų6992.8 Ų92.845%0.44849%0.49SS..Hα-helixtrans-55.8-33173.8-27.433.5000114.2L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.44Å; P28-L30 VanDerWaalsContact C-N 3.25Å; P28-L30 PolarHBondContact O-N 3.37Å; P28-I31 PolarHBondContact O-N 3.29Å
29L88.1Confident86.3Confident135 Ų13590.3 Ų90.371%0.70747%0.472SS*.Hα-helixtrans-68.1-25.6179.4-171.966.1000112.5F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.31Å; F26-L29 WeakPolarHBondContact O-CB 3.23Å; F26-L29 PolarHBondContact O-N 3.19Å; P27-L29 PolarHBondContact O-N 3.1Å; L29-I31 PolarHBondContact O-N 3.46Å
30L87.5Confident86.4Confident77 Ų7795 Ų9540%0.40350%0.495SS..THydrogen-bonded Turntrans-73.5-6.3177.6-63.5177.4000113.7F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CD1-CD1 4.45Å; F26-L30 HydrophobicContact CE1-CD1 4.19Å; F26-L30 HydrophobicContact CE1-CD2 4.1Å; F26-L30 HydrophobicContact CE1-CG 4.22Å; F26-L30 HydrophobicContact CZ-CD2 4.35Å; P27-L30 WeakPolarHBondContact O-CB 3.44Å; P27-L30 PolarHBondContact O-N 2.89Å; P27-L30 VanDerWaalsContact O-N 3.08Å; P28-L30 VanDerWaalsContact C-N 3.25Å; P28-L30 PolarHBondContact O-N 3.37Å; L30-P32 WeakPolarHBondContact O-CD 3.5Å; L30-Q46 PolarHBondContact O-NE2 2.99Å; L30-Q46 VanDerWaalsContact O-NE2 3.14Å; L30-L85 HydrophobicContact CD1-CD1 3.52Å; L30-L85 HydrophobicContact CD1-CD2 4.04Å; L30-L85 HydrophobicContact CD1-CG 4.02Å
31I87.6Confident86.6Confident55 Ų55104.1 Ų104.128%0.28253%0.525SS..SBendtrans-10880.8-178.7-52.5165000108.2P28 L29 I77P28-I31 PolarHBondContact O-N 3.29Å; L29-I31 PolarHBondContact O-N 3.46Å; I31-I77 HydrophobicContact CD1-CG2 3.4Å; I31-I77 VanDerWaalsContact CD1-CG2 3.4Å; I31-I77 HydrophobicContact CG1-CG2 4.46Å
32P85.9Confident86.8Confident56 Ų56104.2 Ų104.236%0.36452%0.522SS..  trans-66.2139.3177.626.8-33.4000110.5L30 L42 I43L30-P32 WeakPolarHBondContact O-CD 3.5Å; P32-L42 HydrophobicContact CG-CD2 3.51Å; P32-I43 HydrophobicContact CB-CD1 4.36Å; P32-I43 HydrophobicContact CB-CG1 4.4Å; P32-I43 HydrophobicContact CG-CD1 4.36Å; P32-I43 HydrophobicContact CG-CG1 3.91Å
33T85.9Confident87Confident137 Ų13798.9 Ų98.984%0.8449%0.494SS*.  trans-106.1140.7170.559.20000109.3
34S86.6Confident87.2Confident39 Ų3999.5 Ų99.527%0.27350%0.5SS..  trans-126.3147173.456.90000110.5N39 I43S34-N39 WeakPolarHBondContact CB-OD1 3.45Å; S34-N39 PolarHBondContact OG-ND2 3.18Å; S34-N39 PolarHBondContact OG-OD1 3.26Å; S34-I43 WeakPolarHBondContact OG-CD1 3.41Å
35K84.9Confident87.3Confident218 Ų218101.1 Ų101.195%0.94851%0.513SS*.  trans-87.4-11.9178.7-61.5-178.2-178.3178.80113.1
36Y86.1Confident87.5Confident186 Ų18697.7 Ų97.773%0.72949%0.494SS*.SBendtrans-81.4153.9-175.1-60.7-72.3000111.8N39Y36-N39 PolarHBondContact O-ND2 3.09Å; Y36-N39 PolarHBondContact O-OD1 3.26Å
37L77.8Confident87.6Confident177 Ų17797.8 Ų97.893%0.92750%0.495SS*.SBendtrans-73-39176.2-171.673.2000111.3
38I84.6Confident87.7Confident156 Ų156105.6 Ų105.680%0.852%0.524SS*.SBendtrans-100.8114.7175-58.9169.7000107.4
39N88.6Confident88Confident28 Ų28106.7 Ų106.715%0.1553%0.526CS..  trans-110.7168.9-172-69.1-29.3000112.5S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.45Å; S34-N39 PolarHBondContact OG-ND2 3.18Å; S34-N39 PolarHBondContact OG-OD1 3.26Å; Y36-N39 PolarHBondContact O-ND2 3.09Å; Y36-N39 PolarHBondContact O-OD1 3.26Å; N39-I43 HydrophobicContact CB-CB 3.95Å; N39-I43 HydrophobicContact CB-CG2 3.82Å; N39-T44 HydrophobicContact CB-CG2 4.1Å; N39-Q47 PolarHBondContact ND2-NE2 3.37Å
40N88.9Confident88.2Confident115 Ų115103 Ų10362%0.61551%0.507SS*.  trans-63.3152.3171.9-166.40.1000110.9L42 I43 T44N40-L42 PolarHBondContact O-N 3.44Å; N40-L42 VanDerWaalsContact O-N 3.13Å; N40-I43 HydrophobicContact CB-CD1 4.4Å; N40-I43 PolarHBondContact O-N 3.49Å; N40-T44 PolarHBondContact O-N 3.38Å
41R89.3Confident88.4Confident212 Ų212106.6 Ų106.680%0.852%0.519SS*.Hα-helixtrans-52.2-37.1-178.9-64.7-177.3-179.1-177.10.5113T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.25Å; R41-T44 PolarHBondContact O-OG1 2.87Å; R41-T45 WeakPolarHBondContact O-CG2 3Å; R41-T45 PolarHBondContact O-N 3.41Å; R41-T45 VanDerWaalsContact O-N 3.09Å; R41-T45 PolarHBondContact O-OG1 3.14Å
42L89.5Confident88.5Confident84 Ų84107.2 Ų107.244%0.4452%0.522SS..Hα-helixtrans-66.9-41.2177.8-176.9153000111.9P32 N40 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.51Å; N40-L42 PolarHBondContact O-N 3.44Å; N40-L42 VanDerWaalsContact O-N 3.13Å; L42-T45 PolarHBondContact O-OG1 3.43Å; L42-Q46 VanDerWaalsContact CD2-CD 3.44Å; L42-Q46 HydrophobicContact CD2-CG 4.3Å; L42-Q46 WeakPolarHBondContact O-CB 3.44Å; L42-Q46 VanDerWaalsContact O-CG 3.24Å; L42-Q46 WeakPolarHBondContact O-CG 3.27Å; L42-Q46 PolarHBondContact O-N 2.83Å
43I91.2Very high88.7Confident15 Ų15105.7 Ų105.78%0.07751%0.512CS..Hα-helixtrans-71.1-36.8179.4-62.4170.7000109.9P32 S34 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.36Å; P32-I43 HydrophobicContact CB-CG1 4.4Å; P32-I43 HydrophobicContact CG-CD1 4.36Å; P32-I43 HydrophobicContact CG-CG1 3.91Å; S34-I43 WeakPolarHBondContact OG-CD1 3.41Å; N39-I43 HydrophobicContact CB-CB 3.95Å; N39-I43 HydrophobicContact CB-CG2 3.82Å; N40-I43 HydrophobicContact CB-CD1 4.4Å; N40-I43 PolarHBondContact O-N 3.49Å; I43-Q46 PolarHBondContact O-N 3.34Å; I43-Q47 HydrophobicContact CG2-CG 4.23Å; I43-Q47 WeakPolarHBondContact O-CB 3.42Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.47Å; I43-Q47 PolarHBondContact O-N 2.85Å
44T91.2Very high88.9Confident64 Ų64100.7 Ų100.739%0.39348%0.483SS..Hα-helixtrans-67.5-40.2177.660.20000112.2N39 N40 R41 W48N39-T44 HydrophobicContact CB-CG2 4.1Å; N40-T44 PolarHBondContact O-N 3.38Å; R41-T44 WeakPolarHBondContact CA-OG1 3.25Å; R41-T44 PolarHBondContact O-OG1 2.87Å; T44-W48 VanDerWaalsContact O-CB 3.29Å; T44-W48 WeakPolarHBondContact O-CB 3.45Å; T44-W48 PolarHBondContact O-N 3.33Å
45T90.8Very high89Confident86 Ų86106 Ų10653%0.52850%0.501SS..Hα-helixtrans-67.5-39.5174.656.90000111.8R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3Å; R41-T45 PolarHBondContact O-N 3.41Å; R41-T45 VanDerWaalsContact O-N 3.09Å; R41-T45 PolarHBondContact O-OG1 3.14Å; L42-T45 PolarHBondContact O-OG1 3.43Å; T45-W48 PolarHBondContact O-N 3.42Å; T45-L49 WeakPolarHBondContact O-CB 3.19Å; T45-L49 PolarHBondContact O-N 2.96Å
46Q90.7Very high89.1Confident46 Ų46101.6 Ų101.622%0.21548%0.484CS..Hα-helixtrans-61.4-49.7173.6-76.1177.1-1600111.8L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 2.99Å; L30-Q46 VanDerWaalsContact O-NE2 3.14Å; L42-Q46 VanDerWaalsContact CD2-CD 3.44Å; L42-Q46 HydrophobicContact CD2-CG 4.3Å; L42-Q46 WeakPolarHBondContact O-CB 3.44Å; L42-Q46 VanDerWaalsContact O-CG 3.24Å; L42-Q46 WeakPolarHBondContact O-CG 3.27Å; L42-Q46 PolarHBondContact O-N 2.83Å; I43-Q46 PolarHBondContact O-N 3.34Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.11Å; Q46-L49 PolarHBondContact O-N 3Å; Q46-I50 VanDerWaalsContact O-CG1 3.24Å; Q46-I50 WeakPolarHBondContact O-CG1 3.31Å; Q46-I50 PolarHBondContact O-N 3.14Å
47Q90.1Very high89Confident94 Ų9493.3 Ų93.344%0.43945%0.452SS..Hα-helixtrans-61.1-39.1177.7-74.5174.9-11.200112N39 I43 K51N39-Q47 PolarHBondContact ND2-NE2 3.37Å; I43-Q47 HydrophobicContact CG2-CG 4.23Å; I43-Q47 WeakPolarHBondContact O-CB 3.42Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.47Å; I43-Q47 PolarHBondContact O-N 2.85Å; Q47-K51 WeakPolarHBondContact O-CB 3.17Å; Q47-K51 PolarHBondContact O-N 3.19Å
48W92.3Very high89.4Confident168 Ų16885.8 Ų85.864%0.63641%0.412SS*.Hα-helixtrans-63.3-44.8175.2-179.482.2000111.8T44 T45 Q46 K51 L52T44-W48 VanDerWaalsContact O-CB 3.29Å; T44-W48 WeakPolarHBondContact O-CB 3.45Å; T44-W48 PolarHBondContact O-N 3.33Å; T45-W48 PolarHBondContact O-N 3.42Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.11Å; W48-K51 PolarHBondContact O-N 3.31Å; W48-L52 HydrophobicContact CD2-CD1 3.76Å; W48-L52 HydrophobicContact CD2-CG 4.42Å; W48-L52 HydrophobicContact CE3-CD1 3.8Å; W48-L52 HydrophobicContact CH2-CD1 3.42Å; W48-L52 VanDerWaalsContact CH2-CD1 3.42Å; W48-L52 HydrophobicContact CZ2-CD1 3.38Å; W48-L52 HydrophobicContact CZ2-CG 4.45Å; W48-L52 HydrophobicContact CZ3-CD1 3.63Å; W48-L52 WeakPolarHBondContact O-CG 3.45Å; W48-L52 PolarHBondContact O-N 3.16Å
49L91Very high89.4Confident93 Ų9382.9 Ų82.949%0.48740%0.402SS..Hα-helixtrans-63.3-44.7177.4-170138.5000111.6T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.19Å; T45-L49 PolarHBondContact O-N 2.96Å; Q46-L49 PolarHBondContact O-N 3Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 3.45Å; L49-L52 PolarHBondContact O-N 3.26Å; L49-T53 HydrophobicContact CD2-CG2 4.25Å; L49-T53 WeakPolarHBondContact O-CG2 3.36Å; L49-T53 PolarHBondContact O-N 2.93Å; L49-T53 PolarHBondContact O-OG1 3.23Å
50I91.6Very high88.9Confident58 Ų5887.7 Ų87.730%0.29743%0.425SS..Hα-helixtrans-60.8-41.3175.9-67.2169.4000111.6Q46 L52 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.24Å; Q46-I50 WeakPolarHBondContact O-CG1 3.31Å; Q46-I50 PolarHBondContact O-N 3.14Å; I50-L52 VanDerWaalsContact C-N 3.34Å; I50-T53 PolarHBondContact O-OG1 2.78Å; I50-T53 VanDerWaalsContact O-OG1 3.13Å; I50-S54 VanDerWaalsContact O-CB 3.29Å; I50-S54 WeakPolarHBondContact O-CB 3.23Å; I50-S54 PolarHBondContact O-N 2.72Å; I50-S54 PolarHBondContact O-OG 2.84Å; I50-V73 HydrophobicContact CG2-CG1 3.86Å; I50-I77 HydrophobicContact CD1-CD1 4.02Å; I50-I77 HydrophobicContact CG1-CD1 3.69Å
51K91.2Very high88.6Confident151 Ų15182.4 Ų82.466%0.65740%0.397SS*.Hα-helixtrans-65-38.4177.1-173.9177.7-179178.70111.8Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3.17Å; Q47-K51 PolarHBondContact O-N 3.19Å; W48-K51 PolarHBondContact O-N 3.31Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 3.45Å; K51-S54 WeakPolarHBondContact CA-OG 3.37Å; K51-S54 PolarHBondContact O-OG 3.27Å; K51-S54 VanDerWaalsContact O-OG 3.1Å; K51-K55 VanDerWaalsContact O-CB 3.22Å; K51-K55 WeakPolarHBondContact O-CB 3.4Å; K51-K55 PolarHBondContact O-N 3.33Å; K51-K55 VanDerWaalsContact O-N 3.08Å
52L91.4Very high88.2Confident68 Ų6877.3 Ų77.336%0.35639%0.385SS..Hα-helixtrans-69.5-48.7178.3-74.6176.9000112.1W48 L49 I50 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.76Å; W48-L52 HydrophobicContact CD2-CG 4.42Å; W48-L52 HydrophobicContact CE3-CD1 3.8Å; W48-L52 HydrophobicContact CH2-CD1 3.42Å; W48-L52 VanDerWaalsContact CH2-CD1 3.42Å; W48-L52 HydrophobicContact CZ2-CD1 3.38Å; W48-L52 HydrophobicContact CZ2-CG 4.45Å; W48-L52 HydrophobicContact CZ3-CD1 3.63Å; W48-L52 WeakPolarHBondContact O-CG 3.45Å; W48-L52 PolarHBondContact O-N 3.16Å; L49-L52 PolarHBondContact O-N 3.26Å; I50-L52 VanDerWaalsContact C-N 3.34Å; L52-K55 PolarHBondContact O-N 3.43Å; L52-Q56 WeakPolarHBondContact O-CG 3.39Å; L52-Q56 PolarHBondContact O-N 3.2Å
53T89.1Confident87.7Confident25 Ų2579 Ų7915%0.15340%0.399CS..Hα-helixtrans-63.5-46.2-179.154.60000111L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 4.25Å; L49-T53 WeakPolarHBondContact O-CG2 3.36Å; L49-T53 PolarHBondContact O-N 2.93Å; L49-T53 PolarHBondContact O-OG1 3.23Å; I50-T53 PolarHBondContact O-OG1 2.78Å; I50-T53 VanDerWaalsContact O-OG1 3.13Å; T53-K55 PolarHBondContact O-N 2.96Å; T53-Q56 PolarHBondContact O-N 2.92Å; T53-M57 WeakPolarHBondContact O-CB 3.4Å; T53-M57 WeakPolarHBondContact O-CG 3.3Å; T53-M57 PolarHBondContact O-N 3.11Å
54S89.6Confident87.2Confident31 Ų3184.2 Ų84.222%0.21742%0.421CS..Hα-helixtrans-60-43.8175.157.30000112.4I50 K51 Q56 M57 M58I50-S54 VanDerWaalsContact O-CB 3.29Å; I50-S54 WeakPolarHBondContact O-CB 3.23Å; I50-S54 PolarHBondContact O-N 2.72Å; I50-S54 PolarHBondContact O-OG 2.84Å; K51-S54 WeakPolarHBondContact CA-OG 3.37Å; K51-S54 PolarHBondContact O-OG 3.27Å; K51-S54 VanDerWaalsContact O-OG 3.1Å; S54-Q56 PolarHBondContact O-N 3.46Å; S54-M57 PolarHBondContact O-N 2.93Å; S54-M58 VanDerWaalsContact O-CB 3.3Å; S54-M58 WeakPolarHBondContact O-CB 3.26Å; S54-M58 VanDerWaalsContact O-CG 3.27Å; S54-M58 WeakPolarHBondContact O-CG 3.29Å; S54-M58 PolarHBondContact O-N 3.38Å
55K89.3Confident86.6Confident151 Ų15181.2 Ų81.266%0.65740%0.403SS*.Hα-helixtrans-61.4-45.2178.1-173-178.2179.5-174.60111.6K51 L52 T53 T59K51-K55 VanDerWaalsContact O-CB 3.22Å; K51-K55 WeakPolarHBondContact O-CB 3.4Å; K51-K55 PolarHBondContact O-N 3.33Å; K51-K55 VanDerWaalsContact O-N 3.08Å; L52-K55 PolarHBondContact O-N 3.43Å; T53-K55 PolarHBondContact O-N 2.96Å; K55-T59 WeakPolarHBondContact O-CG2 3.33Å; K55-T59 PolarHBondContact O-N 2.87Å
56Q86.9Confident86.2Confident126 Ų12683.7 Ų83.759%0.58940%0.402SS*.Hα-helixtrans-69.2-39.1-179.1-74.4-178.4-24.900113.1L52 T53 S54 T59L52-Q56 WeakPolarHBondContact O-CG 3.39Å; L52-Q56 PolarHBondContact O-N 3.2Å; T53-Q56 PolarHBondContact O-N 2.92Å; S54-Q56 PolarHBondContact O-N 3.46Å; Q56-T59 PolarHBondContact O-OG1 3.37Å
57M84.8Confident86.1Confident12 Ų1286.3 Ų86.36%0.05942%0.422CS..Hα-helixtrans-74.4-35.7179-73.3-177.1172.600112.4T53 S54 H61 L72 I76 Y212 T215T53-M57 WeakPolarHBondContact O-CB 3.4Å; T53-M57 WeakPolarHBondContact O-CG 3.3Å; T53-M57 PolarHBondContact O-N 3.11Å; S54-M57 PolarHBondContact O-N 2.93Å; M57-H61 PolarHBondContact O-ND1 3.33Å; M57-L72 HydrophobicContact SD-CB 4.41Å; M57-I76 HydrophobicContact CE-CB 4.39Å; M57-I76 HydrophobicContact CE-CD1 3.57Å; M57-Y212 HydrophobicContact CE-CD2 4.48Å; M57-T215 WeakPolarHBondContact CE-OG1 3.29Å
58M85.4Confident85.9Confident19 Ų1984 Ų849%0.09441%0.409CS..Hα-helixtrans-82.8-9.5-176.4-63.7-36.4120.400114.6S54 M60 H61 R66 S69 L72S54-M58 VanDerWaalsContact O-CB 3.3Å; S54-M58 WeakPolarHBondContact O-CB 3.26Å; S54-M58 VanDerWaalsContact O-CG 3.27Å; S54-M58 WeakPolarHBondContact O-CG 3.29Å; S54-M58 PolarHBondContact O-N 3.38Å; M58-M60 PolarHBondContact O-N 2.98Å; M58-H61 PolarHBondContact O-N 3.3Å; M58-R66 HydrophobicContact CB-CG 4.38Å; M58-S69 VanDerWaalsContact SD-CB 3.6Å; M58-L72 HydrophobicContact CE-CB 4.43Å; M58-L72 HydrophobicContact CE-CD1 3.99Å
59T84.8Confident85.7Confident95 Ų9577.3 Ų77.358%0.58339%0.388SS*.THydrogen-bonded Turntrans-63.6-31.7173.653.40000112K55 Q56 H61K55-T59 WeakPolarHBondContact O-CG2 3.33Å; K55-T59 PolarHBondContact O-N 2.87Å; Q56-T59 PolarHBondContact O-OG1 3.37Å; T59-H61 VanDerWaalsContact C-N 3.33Å
60M77.8Confident85.7Confident128 Ų12879.9 Ų79.963%0.63140%0.402SS*.THydrogen-bonded Turntrans-79.5-13-178.8-58.4-98.787.300113.1M58 H223M58-M60 PolarHBondContact O-N 2.98Å; M60-H223 PolarHBondContact O-CE1 3.41Å; M60-H223 PolarHBondContact O-ND1 2.81Å
61H82.6Confident85.7Confident5 Ų580.1 Ų80.12%0.02340%0.402CS..  trans-110.4142.6-168.6-66.790.9000114.5M57 M58 T59 R66 S219M57-H61 PolarHBondContact O-ND1 3.33Å; M58-H61 PolarHBondContact O-N 3.3Å; T59-H61 VanDerWaalsContact C-N 3.33Å; H61-R66 HydrophobicContact CB-CG 4.38Å; H61-R66 PolarHBondContact O-NE 3.35Å; H61-S219 PolarHBondContact CE1-OG 3.07Å; H61-S219 PolarHBondContact NE2-O 3.34Å; H61-S219 VanDerWaalsContact NE2-O 3.1Å
62N80.9Confident85.7Confident105 Ų10573 Ų7356%0.56137%0.371SS*.  trans-70.8171.1167.8-79.4-21.6000112.5K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.27Å; N62-K64 PolarHBondContact O-N 3.49Å; N62-G65 PolarHBondContact O-N 2.63Å; N62-R66 WeakPolarHBondContact O-CG 3.36Å; N62-R66 PolarHBondContact O-N 3.19Å
63T80.2Confident85.7Confident119 Ų11970.5 Ų70.573%0.7336%0.359SS*.THydrogen-bonded Turntrans-53.9-37.8-176.353.20000114
64K79.2Confident85.8Confident125 Ų12572.4 Ų72.454%0.54337%0.373SS..THydrogen-bonded Turntrans-67.8-45.6175-70.1-177.5-179.2176.30112.2N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.27Å; N62-K64 PolarHBondContact O-N 3.49Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 3.24Å; K64-T67 WeakPolarHBondContact O-CB 3.42Å; K64-T67 PolarHBondContact O-N 3Å; K64-T67 PolarHBondContact O-OG1 3.37Å
65G78.5Confident85.9Confident0 Ų071.7 Ų71.70%037%0.367CS..G310 helixtrans-63.6-32.2177.600000113N62 T67 W68N62-G65 PolarHBondContact O-N 2.63Å; G65-T67 PolarHBondContact O-N 3.04Å; G65-T67 VanDerWaalsContact O-N 3.13Å; G65-W68 WeakPolarHBondContact O-CB 3.48Å; G65-W68 PolarHBondContact O-N 3.18Å
66R83.9Confident86Confident138 Ų13865.2 Ų65.252%0.52134%0.339SS..G310 helixtrans-62-20.7175.8-71.2-179.7-174.7-175.40.6114.1M58 H61 N62 K64 W68 S69M58-R66 HydrophobicContact CB-CG 4.38Å; H61-R66 HydrophobicContact CB-CG 4.38Å; H61-R66 PolarHBondContact O-NE 3.35Å; N62-R66 WeakPolarHBondContact O-CG 3.36Å; N62-R66 PolarHBondContact O-N 3.19Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 3.24Å; R66-W68 PolarHBondContact O-N 3.36Å; R66-S69 WeakPolarHBondContact O-CB 3.35Å; R66-S69 PolarHBondContact O-N 3.32Å; R66-S69 VanDerWaalsContact O-N 3.1Å
67T86.7Confident86.2Confident101 Ų10160.9 Ų60.962%0.6232%0.319SS*.G310 helixtrans-63.6-25.9174.462.50000112.4K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.42Å; K64-T67 PolarHBondContact O-N 3Å; K64-T67 PolarHBondContact O-OG1 3.37Å; G65-T67 PolarHBondContact O-N 3.04Å; G65-T67 VanDerWaalsContact O-N 3.13Å; T67-S69 VanDerWaalsContact C-N 3.28Å; T67-S69 PolarHBondContact O-N 2.8Å
68W87.3Confident86.5Confident45 Ų4562.6 Ų62.617%0.1733%0.327CS..G310 helixtrans-84.90.9177-74.654.5000113.5G65 R66 L70 M71 L72 M115 L222G65-W68 WeakPolarHBondContact O-CB 3.48Å; G65-W68 PolarHBondContact O-N 3.18Å; R66-W68 PolarHBondContact O-N 3.36Å; W68-L70 VanDerWaalsContact C-N 3.28Å; W68-L70 PolarHBondContact O-N 3.43Å; W68-M71 HydrophobicContact CD2-CE 3.79Å; W68-M71 HydrophobicContact CE3-CE 2.98Å; W68-M71 HydrophobicContact CH2-CE 3.68Å; W68-M71 HydrophobicContact CZ2-CE 4.4Å; W68-M71 HydrophobicContact CZ3-CE 2.93Å; W68-M71 PolarHBondContact O-N 3.11Å; W68-L72 PolarHBondContact O-N 3.18Å; W68-M115 HydrophobicContact CZ2-SD 3.97Å; W68-M115 PolarHBondContact NE1-SD 3.02Å; W68-L222 HydrophobicContact CB-CD2 3.48Å; W68-L222 VanDerWaalsContact CB-CD2 3.48Å; W68-L222 HydrophobicContact CD2-CD1 3.68Å; W68-L222 HydrophobicContact CD2-CD2 4.07Å; W68-L222 HydrophobicContact CE3-CD1 3.84Å; W68-L222 HydrophobicContact CE3-CD2 4.32Å; W68-L222 HydrophobicContact CG-CD1 3.99Å; W68-L222 HydrophobicContact CG-CD2 3.65Å; W68-L222 HydrophobicContact CZ3-CD1 4.33Å
69S87.9Confident86.8Confident29 Ų2961.7 Ų61.720%0.20332%0.322CS..Hα-helixtrans-53.5-45-177.9177.70000112.3M58 R66 T67 M71 L72 V73M58-S69 VanDerWaalsContact SD-CB 3.6Å; R66-S69 WeakPolarHBondContact O-CB 3.35Å; R66-S69 PolarHBondContact O-N 3.32Å; R66-S69 VanDerWaalsContact O-N 3.1Å; T67-S69 VanDerWaalsContact C-N 3.28Å; T67-S69 PolarHBondContact O-N 2.8Å; S69-M71 VanDerWaalsContact C-N 3.3Å; S69-M71 PolarHBondContact O-N 3.12Å; S69-L72 PolarHBondContact O-N 3.33Å; S69-V73 WeakPolarHBondContact O-CB 3.39Å; S69-V73 WeakPolarHBondContact O-CG2 3.2Å; S69-V73 PolarHBondContact O-N 2.97Å
70L91.1Very high87Confident147 Ų14758.5 Ų58.577%0.7731%0.306SS*.Hα-helixtrans-58-44.7178.7-171.4103.1000111.3W68 S74W68-L70 VanDerWaalsContact C-N 3.28Å; W68-L70 PolarHBondContact O-N 3.43Å; L70-S74 WeakPolarHBondContact O-CB 3.22Å; L70-S74 PolarHBondContact O-N 3.22Å; L70-S74 PolarHBondContact O-OG 3.12Å
71M91.3Very high87.7Confident63 Ų6354 Ų5431%0.3129%0.285SS..Hα-helixtrans-67.4-47.4-178.1-171.8161.266.700111.5W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 3.79Å; W68-M71 HydrophobicContact CE3-CE 2.98Å; W68-M71 HydrophobicContact CH2-CE 3.68Å; W68-M71 HydrophobicContact CZ2-CE 4.4Å; W68-M71 HydrophobicContact CZ3-CE 2.93Å; W68-M71 PolarHBondContact O-N 3.11Å; S69-M71 VanDerWaalsContact C-N 3.3Å; S69-M71 PolarHBondContact O-N 3.12Å; M71-V73 VanDerWaalsContact C-N 3.32Å; M71-V73 PolarHBondContact O-N 3.3Å; M71-S74 WeakPolarHBondContact CA-OG 3.44Å; M71-S74 PolarHBondContact O-N 3.35Å; M71-S74 PolarHBondContact O-OG 2.92Å; M71-L75 VanDerWaalsContact O-CB 3.26Å; M71-L75 WeakPolarHBondContact O-CB 3.3Å; M71-L75 PolarHBondContact O-N 2.9Å; M71-L108 HydrophobicContact CE-CD2 3.45Å; M71-L108 VanDerWaalsContact CE-CD2 3.45Å; M71-L108 HydrophobicContact CG-CD2 4Å; M71-L108 HydrophobicContact SD-CD2 3.48Å; M71-L108 WeakPolarHBondContact SD-CD2 3.47Å
72L90.4Very high88Confident1 Ų153.9 Ų53.91%0.00529%0.285CS..Hα-helixtrans-60-42.2178.6-68.8172.2000112.1M57 M58 W68 S69 L75 I76 V218M57-L72 HydrophobicContact SD-CB 4.41Å; M58-L72 HydrophobicContact CE-CB 4.43Å; M58-L72 HydrophobicContact CE-CD1 3.99Å; W68-L72 PolarHBondContact O-N 3.18Å; S69-L72 PolarHBondContact O-N 3.33Å; L72-L75 PolarHBondContact O-N 3.3Å; L72-I76 PolarHBondContact O-N 3.08Å; L72-I76 VanDerWaalsContact O-N 3.08Å; L72-V218 HydrophobicContact CD2-CB 4.24Å; L72-V218 HydrophobicContact CD2-CG1 3.87Å
73V91.7Very high88.5Confident16 Ų1649 Ų4910%0.09726%0.259CS..Hα-helixtrans-67.5-43177.5172.30000111.2I50 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.86Å; S69-V73 WeakPolarHBondContact O-CB 3.39Å; S69-V73 WeakPolarHBondContact O-CG2 3.2Å; S69-V73 PolarHBondContact O-N 2.97Å; M71-V73 VanDerWaalsContact C-N 3.32Å; M71-V73 PolarHBondContact O-N 3.3Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 3.13Å; V73-I76 VanDerWaalsContact O-CG2 3.28Å; V73-I76 WeakPolarHBondContact O-CG2 3.32Å; V73-I77 HydrophobicContact CG1-CD1 3.77Å; V73-I77 VanDerWaalsContact O-CD1 3.28Å; V73-I77 WeakPolarHBondContact O-CD1 3.48Å; V73-I77 WeakPolarHBondContact O-CG1 3.31Å; V73-I77 PolarHBondContact O-N 2.89Å
74S91.7Very high88.9Confident64 Ų6448.1 Ų48.145%0.44825%0.249SC..Hα-helixtrans-62.7-38.3176.870.30000112.1L70 M71 F78L70-S74 WeakPolarHBondContact O-CB 3.22Å; L70-S74 PolarHBondContact O-N 3.22Å; L70-S74 PolarHBondContact O-OG 3.12Å; M71-S74 WeakPolarHBondContact CA-OG 3.44Å; M71-S74 PolarHBondContact O-N 3.35Å; M71-S74 PolarHBondContact O-OG 2.92Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.46Å; S74-F78 PolarHBondContact O-N 3.14Å
75L90.8Very high89.4Confident16 Ų1643.9 Ų43.98%0.08423%0.232CC..Hα-helixtrans-68.1-46.7-178.4-177.970.3000112.2M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 VanDerWaalsContact O-CB 3.26Å; M71-L75 WeakPolarHBondContact O-CB 3.3Å; M71-L75 PolarHBondContact O-N 2.9Å; L72-L75 PolarHBondContact O-N 3.3Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 3.13Å; L75-I77 VanDerWaalsContact C-N 3.3Å; L75-I77 PolarHBondContact O-N 3.02Å; L75-F78 PolarHBondContact O-N 3.45Å; L75-I79 HydrophobicContact CD1-CD1 3.83Å; L75-I79 HydrophobicContact CD1-CG1 4.37Å; L75-I79 HydrophobicContact CG-CD1 3.9Å; L75-I79 WeakPolarHBondContact O-CG1 3.3Å; L75-I79 PolarHBondContact O-N 3.26Å; L75-L108 HydrophobicContact CD1-CD1 3.65Å; L75-L108 HydrophobicContact CD2-CD1 3.49Å; L75-L108 VanDerWaalsContact CD2-CD1 3.49Å; L75-L108 HydrophobicContact CG-CD1 4.19Å; L75-F214 HydrophobicContact CD1-CE1 4.08Å; L75-F214 HydrophobicContact CD2-CD1 3.97Å; L75-F214 HydrophobicContact CD2-CE1 3.82Å; L75-F214 HydrophobicContact CG-CD1 4.3Å; L75-F214 HydrophobicContact CG-CE1 4.19Å; L75-T215 HydrophobicContact CB-CG2 4.1Å; L75-T215 HydrophobicContact CD2-CG2 3.67Å; L75-T215 HydrophobicContact CG-CG2 3.75Å
76I91.5Very high89.8Confident16 Ų1644 Ų448%0.08223%0.233CC..Hα-helixtrans-63.6-40.9179.2-170.5168.7000110.7M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CB 4.39Å; M57-I76 HydrophobicContact CE-CD1 3.57Å; L72-I76 PolarHBondContact O-N 3.08Å; L72-I76 VanDerWaalsContact O-N 3.08Å; V73-I76 VanDerWaalsContact O-CG2 3.28Å; V73-I76 WeakPolarHBondContact O-CG2 3.32Å; I76-A80 WeakPolarHBondContact O-CB 3.41Å; I76-A80 PolarHBondContact O-N 3.34Å; I76-A211 HydrophobicContact CG1-CB 4.4Å; I76-Y212 HydrophobicContact CD1-CD2 4.22Å; I76-T215 HydrophobicContact CB-CG2 3.53Å; I76-T215 HydrophobicContact CG1-CG2 4.22Å
77I91.6Very high89.9Confident34 Ų3439.1 Ų39.117%0.17422%0.218CC..Hα-helixtrans-67.5-43.5179.2-62.7164.5000110.3I31 I50 V73 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.4Å; I31-I77 VanDerWaalsContact CD1-CG2 3.4Å; I31-I77 HydrophobicContact CG1-CG2 4.46Å; I50-I77 HydrophobicContact CD1-CD1 4.02Å; I50-I77 HydrophobicContact CG1-CD1 3.69Å; V73-I77 HydrophobicContact CG1-CD1 3.77Å; V73-I77 VanDerWaalsContact O-CD1 3.28Å; V73-I77 WeakPolarHBondContact O-CD1 3.48Å; V73-I77 WeakPolarHBondContact O-CG1 3.31Å; V73-I77 PolarHBondContact O-N 2.89Å; L75-I77 VanDerWaalsContact C-N 3.3Å; L75-I77 PolarHBondContact O-N 3.02Å; I77-T81 HydrophobicContact CG2-CG2 4.24Å; I77-T81 WeakPolarHBondContact O-CB 3.31Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.42Å; I77-T81 PolarHBondContact O-N 3.09Å; I77-T81 PolarHBondContact O-OG1 3.33Å
78F91Very high89.9Confident48 Ų4838.9 Ų38.921%0.21121%0.212CC..Hα-helixtrans-59.5-53.8177.8-180-104.1000111.5I24 S74 L75 A80 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.33Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.46Å; S74-F78 PolarHBondContact O-N 3.14Å; L75-F78 PolarHBondContact O-N 3.45Å; F78-A80 PolarHBondContact O-N 2.93Å; F78-T81 PolarHBondContact O-N 2.95Å; F78-T81 PolarHBondContact O-OG1 3.04Å; F78-T82 HydrophobicContact CD2-CG2 4.31Å; F78-T82 HydrophobicContact CE1-CG2 4.17Å; F78-T82 HydrophobicContact CE2-CG2 3.92Å; F78-T82 HydrophobicContact CZ-CG2 3.85Å; F78-T82 WeakPolarHBondContact O-CG2 3.49Å; F78-T82 PolarHBondContact O-N 2.89Å; F78-T82 PolarHBondContact O-OG1 2.94Å; F78-T82 VanDerWaalsContact O-OG1 3.07Å; F78-M100 HydrophobicContact CE1-CE 3.86Å; F78-M100 HydrophobicContact CZ-CE 3.86Å; F78-M104 HydrophobicContact CD1-SD 3.9Å; F78-M104 HydrophobicContact CE1-CE 4.42Å; F78-M104 HydrophobicContact CE1-SD 3.58Å; F78-M104 VanDerWaalsContact CE1-SD 3.58Å
79I90.9Very high89.6Confident0 Ų042.1 Ų42.10%024%0.239CC..Hα-helixtrans-64.6-42.5-178.1-61.8169.9000111.1L75 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 3.83Å; L75-I79 HydrophobicContact CD1-CG1 4.37Å; L75-I79 HydrophobicContact CG-CD1 3.9Å; L75-I79 WeakPolarHBondContact O-CG1 3.3Å; L75-I79 PolarHBondContact O-N 3.26Å; I79-T82 WeakPolarHBondContact CA-OG1 3.44Å; I79-T82 PolarHBondContact O-OG1 3.29Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.02Å; I79-N83 VanDerWaalsContact O-CB 3.31Å; I79-N83 WeakPolarHBondContact O-CB 3.49Å; I79-N83 PolarHBondContact O-N 3.37Å; I79-N83 PolarHBondContact O-ND2 2.81Å; I79-N83 PolarHBondContact O-OD1 3.4Å; I79-L160 HydrophobicContact CG2-CD1 3.61Å; I79-A211 HydrophobicContact CB-CB 4.04Å; I79-A211 HydrophobicContact CG2-CB 3.73Å; I79-F214 HydrophobicContact CD1-CB 4.23Å; I79-F214 HydrophobicContact CD1-CD1 3.35Å; I79-F214 HydrophobicContact CD1-CD2 4.29Å; I79-F214 HydrophobicContact CD1-CE1 3.7Å; I79-F214 HydrophobicContact CD1-CG 3.71Å; I79-F214 HydrophobicContact CD1-CZ 4.3Å
80A90.6Very high89.3Confident29 Ų2950.5 Ų50.524%0.2427%0.274CS..Hα-helixtrans-63.1-44.3179.300000111.6I76 F78 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.41Å; I76-A80 PolarHBondContact O-N 3.34Å; F78-A80 PolarHBondContact O-N 2.93Å; A80-L84 VanDerWaalsContact O-CB 3.31Å; A80-L84 WeakPolarHBondContact O-CB 3.21Å; A80-L84 PolarHBondContact O-N 3.35Å; A80-A211 HydrophobicContact CB-CB 3.89Å
81T91Very high89Confident32 Ų3245 Ų4520%0.19625%0.249CC..Hα-helixtrans-68.2-45.1179.352.80000111.7P27 I77 F78 N83 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.44Å; I77-T81 HydrophobicContact CG2-CG2 4.24Å; I77-T81 WeakPolarHBondContact O-CB 3.31Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.42Å; I77-T81 PolarHBondContact O-N 3.09Å; I77-T81 PolarHBondContact O-OG1 3.33Å; F78-T81 PolarHBondContact O-N 2.95Å; F78-T81 PolarHBondContact O-OG1 3.04Å; T81-N83 VanDerWaalsContact C-N 3.32Å; T81-N83 PolarHBondContact O-N 3.47Å; T81-L84 PolarHBondContact O-N 3.08Å; T81-L85 VanDerWaalsContact O-CB 3.27Å; T81-L85 WeakPolarHBondContact O-CB 3.36Å; T81-L85 VanDerWaalsContact O-CD1 3.23Å; T81-L85 WeakPolarHBondContact O-CD1 3.2Å; T81-L85 WeakPolarHBondContact O-CG 3.37Å; T81-L85 PolarHBondContact O-N 3.4Å
82T90.6Very high88.6Confident4 Ų443.4 Ų43.43%0.02524%0.24CC..Hα-helixtrans-61.1-39.9176.952.70000112.6P27 F78 I79 G86P27-T82 HydrophobicContact CB-CG2 4.24Å; P27-T82 HydrophobicContact CG-CG2 3.46Å; P27-T82 VanDerWaalsContact CG-CG2 3.46Å; F78-T82 HydrophobicContact CD2-CG2 4.31Å; F78-T82 HydrophobicContact CE1-CG2 4.17Å; F78-T82 HydrophobicContact CE2-CG2 3.92Å; F78-T82 HydrophobicContact CZ-CG2 3.85Å; F78-T82 WeakPolarHBondContact O-CG2 3.49Å; F78-T82 PolarHBondContact O-N 2.89Å; F78-T82 PolarHBondContact O-OG1 2.94Å; F78-T82 VanDerWaalsContact O-OG1 3.07Å; I79-T82 WeakPolarHBondContact CA-OG1 3.44Å; I79-T82 PolarHBondContact O-OG1 3.29Å; T82-G86 PolarHBondContact O-N 2.76Å
83N90.7Very high88.3Confident2 Ų243.6 Ų43.61%0.01124%0.241CC..Hα-helixtrans-71.7-40.8-179.7-67.3-8.2000111.5I79 T81 G86 L87 T95 I164 A207I79-N83 WeakPolarHBondContact CG2-ND2 3.02Å; I79-N83 VanDerWaalsContact O-CB 3.31Å; I79-N83 WeakPolarHBondContact O-CB 3.49Å; I79-N83 PolarHBondContact O-N 3.37Å; I79-N83 PolarHBondContact O-ND2 2.81Å; I79-N83 PolarHBondContact O-OD1 3.4Å; T81-N83 VanDerWaalsContact C-N 3.32Å; T81-N83 PolarHBondContact O-N 3.47Å; N83-G86 WeakPolarHBondContact O-CA 3.25Å; N83-G86 PolarHBondContact O-N 3.45Å; N83-L87 PolarHBondContact O-N 3.3Å; N83-T95 WeakPolarHBondContact OD1-CB 3.5Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.41Å; N83-T95 PolarHBondContact OD1-OG1 3.29Å; N83-I164 HydrophobicContact CB-CD1 4.33Å; N83-I164 VanDerWaalsContact CG-CD1 3.45Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.3Å; N83-A207 HydrophobicContact CB-CB 3.94Å
84L89.4Confident87.8Confident100 Ų10043.3 Ų43.352%0.52424%0.239SC..Hα-helixtrans-67.7-45.7178.6-166.4100.9000111.9A80 T81 G86 L87 I204A80-L84 VanDerWaalsContact O-CB 3.31Å; A80-L84 WeakPolarHBondContact O-CB 3.21Å; A80-L84 PolarHBondContact O-N 3.35Å; T81-L84 PolarHBondContact O-N 3.08Å; L84-G86 PolarHBondContact O-N 2.87Å; L84-L87 PolarHBondContact O-N 3.47Å; L84-L87 VanDerWaalsContact O-N 3.13Å; L84-I204 HydrophobicContact CD1-CG2 4.28Å
85L89.1Confident87.5Confident36 Ų3640.3 Ų40.319%0.18822%0.218CC..Hα-helixtrans-55-34.2171.2-88.9147.7000111.6F26 P27 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD1 4.26Å; F26-L85 HydrophobicContact CD1-CD2 3.7Å; F26-L85 HydrophobicContact CE1-CD2 3.62Å; P27-L85 HydrophobicContact CB-CD1 3.86Å; P27-L85 HydrophobicContact CG-CD1 3.98Å; L30-L85 HydrophobicContact CD1-CD1 3.52Å; L30-L85 HydrophobicContact CD1-CD2 4.04Å; L30-L85 HydrophobicContact CD1-CG 4.02Å; T81-L85 VanDerWaalsContact O-CB 3.27Å; T81-L85 WeakPolarHBondContact O-CB 3.36Å; T81-L85 VanDerWaalsContact O-CD1 3.23Å; T81-L85 WeakPolarHBondContact O-CD1 3.2Å; T81-L85 WeakPolarHBondContact O-CG 3.37Å; T81-L85 PolarHBondContact O-N 3.4Å; L85-L87 VanDerWaalsContact C-N 3.29Å; L85-L87 PolarHBondContact O-N 3.33Å; L85-L88 HydrophobicContact CD2-CD1 4.19Å; L85-L88 VanDerWaalsContact O-CB 3.3Å; L85-L88 WeakPolarHBondContact O-CB 3Å; L85-L88 WeakPolarHBondContact O-CG 3.47Å; L85-L88 PolarHBondContact O-N 3.28Å; L85-S91 PolarHBondContact O-OG 2.93Å; L85-S91 VanDerWaalsContact O-OG 3.06Å
86G85.5Confident87.3Confident2 Ų239.9 Ų39.92%0.02122%0.217CC..THydrogen-bonded Turntrans-65.3-23.2178.600000117.5T82 N83 L84 S91 H168T82-G86 PolarHBondContact O-N 2.76Å; N83-G86 WeakPolarHBondContact O-CA 3.25Å; N83-G86 PolarHBondContact O-N 3.45Å; L84-G86 PolarHBondContact O-N 2.87Å; G86-S91 VanDerWaalsContact C-OG 3.29Å; G86-S91 WeakPolarHBondContact CA-OG 3.26Å; G86-S91 PolarHBondContact O-OG 3.39Å; G86-H168 PolarHBondContact O-CE1 3.08Å; G86-H168 PolarHBondContact O-NE2 2.9Å
87L86.4Confident87.1Confident37 Ų3742.3 Ų42.319%0.19423%0.228CC..THydrogen-bonded Turntrans-82.7-5.1178.1-62.6173.9000112N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 3.3Å; L84-L87 PolarHBondContact O-N 3.47Å; L84-L87 VanDerWaalsContact O-N 3.13Å; L85-L87 VanDerWaalsContact C-N 3.29Å; L85-L87 PolarHBondContact O-N 3.33Å; L87-M171 HydrophobicContact CD2-CE 4.22Å; L87-E203 HydrophobicContact CD2-CB 4.24Å; L87-E203 HydrophobicContact CD2-CG 3.56Å; L87-E203 WeakPolarHBondContact CD2-OE1 3.38Å; L87-I204 HydrophobicContact CD1-CB 4.26Å; L87-I204 HydrophobicContact CD1-CG1 3.67Å; L87-A207 HydrophobicContact CD1-CB 4.1Å
88L86.8Confident86.9Confident95 Ų9544 Ų4450%0.49724%0.236SC..SBendtrans-68143.7175.9-65173.6000110.4L85 H90 S91L85-L88 HydrophobicContact CD2-CD1 4.19Å; L85-L88 VanDerWaalsContact O-CB 3.3Å; L85-L88 WeakPolarHBondContact O-CB 3Å; L85-L88 WeakPolarHBondContact O-CG 3.47Å; L85-L88 PolarHBondContact O-N 3.28Å; L88-H90 PolarHBondContact O-N 3.5Å; L88-S91 WeakPolarHBondContact O-CB 3.5Å; L88-S91 PolarHBondContact O-N 3.38Å; L88-S91 VanDerWaalsContact O-N 3.14Å; L88-S91 PolarHBondContact O-OG 3.04Å
89P81.6Confident86.7Confident113 Ų11345.8 Ų45.873%0.73426%0.255SS*.THydrogen-bonded Turntrans-58.8134.9-18024.7-33.8000110.6S91P89-S91 PolarHBondContact O-N 3.05Å; P89-S91 VanDerWaalsContact O-N 3.12Å
90H82.1Confident86.6Confident205 Ų20547.8 Ų47.895%0.94927%0.265SS*.THydrogen-bonded Turntrans57.817.3-178.6-57.1-66.8000115.7L88L88-H90 PolarHBondContact O-N 3.5Å
91S84.3Confident86.5Confident33 Ų3346.4 Ų46.423%0.23125%0.253CS..  trans-80.7139.2172.368.60000111.1L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 2.93Å; L85-S91 VanDerWaalsContact O-OG 3.06Å; G86-S91 VanDerWaalsContact C-OG 3.29Å; G86-S91 WeakPolarHBondContact CA-OG 3.26Å; G86-S91 PolarHBondContact O-OG 3.39Å; L88-S91 WeakPolarHBondContact O-CB 3.5Å; L88-S91 PolarHBondContact O-N 3.38Å; L88-S91 VanDerWaalsContact O-N 3.14Å; L88-S91 PolarHBondContact O-OG 3.04Å; P89-S91 PolarHBondContact O-N 3.05Å; P89-S91 VanDerWaalsContact O-N 3.12Å
92F82.4Confident86.2Confident29 Ų2946.8 Ų46.813%0.12725%0.254CS..  trans-87.4125.1169.7172-95000109.4S8 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.11Å; P12-F92 HydrophobicContact CG-CB 4.4Å; P12-F92 HydrophobicContact CG-CD1 4.13Å; P12-F92 HydrophobicContact CG-CG 4.09Å; A20-F92 HydrophobicContact CB-CE1 4.36Å; I23-F92 HydrophobicContact CD1-CB 4.09Å; I23-F92 HydrophobicContact CD1-CD1 3.9Å; I23-F92 HydrophobicContact CD1-CG 4.37Å; I23-F92 HydrophobicContact CG2-CD1 4.41Å; I23-F92 WeakPolarHBondContact CG2-O 3.3Å; F92-P94 HydrophobicContact CE1-CB 4.46Å; F92-P94 WeakPolarHBondContact O-CD 3.38Å; F92-Q97 HydrophobicContact CZ-CG 4.21Å
93T83.9Confident86.1Confident4 Ų449.8 Ų49.83%0.02528%0.279CS..  trans-95.5112.6178.430.20000111.1T95 T96 I164T93-T95 PolarHBondContact O-N 3.35Å; T93-T95 VanDerWaalsContact O-N 3.15Å; T93-T96 PolarHBondContact O-N 3.25Å; T93-T96 PolarHBondContact O-OG1 3.46Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.46Å; T93-I164 HydrophobicContact CG2-CG2 4.26Å
94P82.3Confident85.9Confident10 Ų1050.9 Ų50.97%0.06529%0.285CS..G310 helixtrans-63.8-22.8176.526.2-33.5000112.5I24 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.23Å; I24-P94 HydrophobicContact CG1-CB 3.67Å; I24-P94 HydrophobicContact CG1-CG 4.02Å; F92-P94 HydrophobicContact CE1-CB 4.46Å; F92-P94 WeakPolarHBondContact O-CD 3.38Å; P94-T96 VanDerWaalsContact C-N 3.28Å; P94-T96 PolarHBondContact O-N 3.1Å; P94-Q97 PolarHBondContact O-N 3.04Å; P94-M100 WeakPolarHBondContact O-CB 3.19Å
95T85.1Confident85.8Confident1 Ų146.2 Ų46.21%0.00626%0.26CS..G310 helixtrans-76.9-7.1179.649.30000114.7N83 T93 Q97 N101 L160 I164N83-T95 WeakPolarHBondContact OD1-CB 3.5Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.41Å; N83-T95 PolarHBondContact OD1-OG1 3.29Å; T93-T95 PolarHBondContact O-N 3.35Å; T93-T95 VanDerWaalsContact O-N 3.15Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; T95-N101 PolarHBondContact O-ND2 3.36Å; T95-L160 HydrophobicContact CG2-CD2 3.92Å; T95-I164 VanDerWaalsContact OG1-CD1 3.27Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.27Å
96T85.6Confident85.7Confident8 Ų848.4 Ų48.45%0.04927%0.271CS..G310 helixtrans-74.4-26.7169.155.30000112.3F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.84Å; F9-T96 HydrophobicContact CE1-CG2 3.74Å; T93-T96 PolarHBondContact O-N 3.25Å; T93-T96 PolarHBondContact O-OG1 3.46Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.46Å; P94-T96 VanDerWaalsContact C-N 3.28Å; P94-T96 PolarHBondContact O-N 3.1Å; T96-L98 PolarHBondContact O-N 3.19Å; T96-T161 WeakPolarHBondContact O-CG2 3.44Å; T96-I164 HydrophobicContact CG2-CB 4.29Å; T96-I164 HydrophobicContact CG2-CG2 3.62Å; T96-T165 HydrophobicContact CG2-CG2 3.76Å
97Q88.8Confident85.9Confident67 Ų6752.1 Ų52.131%0.31330%0.295SS..SBendtrans-78.8120.4178.9-65.3-63.4-29.200109.9F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 3.13Å; F92-Q97 HydrophobicContact CZ-CG 4.21Å; P94-Q97 PolarHBondContact O-N 3.04Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; Q97-S99 PolarHBondContact O-N 2.86Å; Q97-M100 PolarHBondContact O-N 3.11Å; Q97-M100 VanDerWaalsContact O-N 3.11Å; Q97-N101 PolarHBondContact O-N 3.26Å
98L86.5Confident86Confident68 Ų6851.1 Ų51.136%0.35629%0.29SS..Hα-helixtrans-58.1-33.5178.9-177.763.9000112.1T96 M100 N101 L102 M154 A157 V158 T161T96-L98 PolarHBondContact O-N 3.19Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.38Å; L98-N101 PolarHBondContact O-N 2.84Å; L98-L102 WeakPolarHBondContact O-CB 3.43Å; L98-L102 PolarHBondContact O-N 3.49Å; L98-M154 HydrophobicContact CD2-CE 4.36Å; L98-A157 HydrophobicContact CD1-CB 4.33Å; L98-V158 HydrophobicContact CD1-CG2 3.91Å; L98-T161 VanDerWaalsContact CA-CG2 3.41Å; L98-T161 HydrophobicContact CB-CG2 3.99Å; L98-T161 HydrophobicContact CD1-CG2 4.04Å
99S87.9Confident86Confident86 Ų8648.3 Ų48.360%0.60127%0.273SS*.Hα-helixtrans-55.8-43.9176.456.20000112.6Q97 A103Q97-S99 PolarHBondContact O-N 2.86Å; S99-A103 WeakPolarHBondContact O-CB 3.28Å; S99-A103 PolarHBondContact O-N 3.32Å
100M87.4Confident86.1Confident42 Ų4244.2 Ų44.221%0.20725%0.248CC..Hα-helixtrans-67.6-46.9-178.8-175.758.9-171.900111.4I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-SD 4.46Å; I24-M100 HydrophobicContact CG2-CE 4.37Å; F78-M100 HydrophobicContact CE1-CE 3.86Å; F78-M100 HydrophobicContact CZ-CE 3.86Å; P94-M100 WeakPolarHBondContact O-CB 3.19Å; Q97-M100 PolarHBondContact O-N 3.11Å; Q97-M100 VanDerWaalsContact O-N 3.11Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.38Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.22Å; M100-A103 PolarHBondContact O-N 3.41Å; M100-M104 HydrophobicContact CE-CE 4.12Å; M100-M104 HydrophobicContact CE-CG 4.33Å; M100-M104 HydrophobicContact CE-SD 4.02Å; M100-M104 HydrophobicContact CG-CE 3.9Å; M100-M104 PolarHBondContact O-N 3.49Å
101N88.2Confident86.3Confident0 Ų035.6 Ų35.60%022%0.215CC..Hα-helixtrans-67.4-37.1-179.1-65.7-13.3000111.9T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.36Å; Q97-N101 PolarHBondContact O-N 3.26Å; L98-N101 PolarHBondContact O-N 2.84Å; N101-M104 PolarHBondContact O-N 3.26Å; N101-M104 WeakPolarHBondContact OD1-CE 3.09Å; N101-A105 VanDerWaalsContact O-CB 3.3Å; N101-A105 WeakPolarHBondContact O-CB 3.09Å; N101-A105 PolarHBondContact O-N 3.43Å; N101-A157 HydrophobicContact CB-CB 3.89Å; N101-A157 PolarHBondContact ND2-O 3.27Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.26Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.36Å; N101-T161 HydrophobicContact CB-CG2 4.37Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.49Å; N101-T161 PolarHBondContact ND2-N 2.95Å
102L86.2Confident86.3Confident41 Ų4134 Ų3422%0.21520%0.204CC..Hα-helixtrans-70-38.9177.1-163.867.3000111.5L98 M100 M104 A105 I106 M154 A157L98-L102 WeakPolarHBondContact O-CB 3.43Å; L98-L102 PolarHBondContact O-N 3.49Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.22Å; L102-M104 PolarHBondContact O-N 2.9Å; L102-A105 PolarHBondContact O-N 3.26Å; L102-I106 HydrophobicContact CD1-CD1 3.74Å; L102-I106 HydrophobicContact CD1-CG1 3.83Å; L102-I106 HydrophobicContact CD2-CD1 3.97Å; L102-I106 HydrophobicContact CG-CD1 3.49Å; L102-I106 VanDerWaalsContact CG-CD1 3.49Å; L102-I106 HydrophobicContact CG-CG1 3.95Å; L102-I106 WeakPolarHBondContact O-CG1 3.3Å; L102-I106 PolarHBondContact O-N 3.04Å; L102-M154 HydrophobicContact CD1-CE 4.38Å; L102-M154 HydrophobicContact CD1-SD 3.45Å; L102-M154 WeakPolarHBondContact CD1-SD 3.34Å; L102-M154 HydrophobicContact CD2-CE 4.39Å; L102-M154 HydrophobicContact CD2-SD 4.2Å; L102-M154 HydrophobicContact CG-SD 4.49Å; L102-A157 HydrophobicContact CB-CB 4.47Å; L102-A157 HydrophobicContact CD1-CB 4.14Å
103A88.9Confident86.3Confident66 Ų6633.3 Ų33.355%0.54520%0.202SC..Hα-helixtrans-62.9-28.8173.300000112.9S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.28Å; S99-A103 PolarHBondContact O-N 3.32Å; M100-A103 PolarHBondContact O-N 3.41Å; A103-P107 WeakPolarHBondContact O-CD 3.29Å; A103-P107 WeakPolarHBondContact O-CG 3.17Å
104M85.6Confident86.4Confident26 Ų2637.7 Ų37.713%0.12822%0.224CC..Hα-helixtrans-80-45.2171.4-70.2-175.6-75.500112.4F78 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.9Å; F78-M104 HydrophobicContact CE1-CE 4.42Å; F78-M104 HydrophobicContact CE1-SD 3.58Å; F78-M104 VanDerWaalsContact CE1-SD 3.58Å; M100-M104 HydrophobicContact CE-CE 4.12Å; M100-M104 HydrophobicContact CE-CG 4.33Å; M100-M104 HydrophobicContact CE-SD 4.02Å; M100-M104 HydrophobicContact CG-CE 3.9Å; M100-M104 PolarHBondContact O-N 3.49Å; N101-M104 PolarHBondContact O-N 3.26Å; N101-M104 WeakPolarHBondContact OD1-CE 3.09Å; L102-M104 PolarHBondContact O-N 2.9Å; M104-L108 VanDerWaalsContact O-CD1 3.31Å; M104-L108 WeakPolarHBondContact O-CD1 3.49Å; M104-L108 WeakPolarHBondContact O-CG 3.43Å
105A86.7Confident86.3Confident2 Ų239.5 Ų39.52%0.01723%0.232CC..Hα-helixtrans-71-44.9-172.100000113.3N101 L102 L108 W109 L156 A157 F214N101-A105 VanDerWaalsContact O-CB 3.3Å; N101-A105 WeakPolarHBondContact O-CB 3.09Å; N101-A105 PolarHBondContact O-N 3.43Å; L102-A105 PolarHBondContact O-N 3.26Å; A105-L108 PolarHBondContact O-N 2.91Å; A105-W109 VanDerWaalsContact O-CB 3.3Å; A105-W109 WeakPolarHBondContact O-CB 3.37Å; A105-W109 PolarHBondContact O-N 3Å; A105-L156 HydrophobicContact CB-CD2 4.44Å; A105-A157 HydrophobicContact CB-CB 4.25Å; A105-F214 HydrophobicContact CB-CE2 4.35Å; A105-F214 HydrophobicContact CB-CZ 4.14Å
106I87.9Confident85.9Confident81 Ų8139.6 Ų39.642%0.41523%0.233SC..Hα-helixtrans-62.4-50.3-174.9-65.7177.2000111.8L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.74Å; L102-I106 HydrophobicContact CD1-CG1 3.83Å; L102-I106 HydrophobicContact CD2-CD1 3.97Å; L102-I106 HydrophobicContact CG-CD1 3.49Å; L102-I106 VanDerWaalsContact CG-CD1 3.49Å; L102-I106 HydrophobicContact CG-CG1 3.95Å; L102-I106 WeakPolarHBondContact O-CG1 3.3Å; L102-I106 PolarHBondContact O-N 3.04Å; I106-L108 PolarHBondContact O-N 3.43Å; I106-W109 PolarHBondContact O-N 3.39Å; I106-A110 WeakPolarHBondContact O-CB 3.48Å; I106-A110 PolarHBondContact O-N 3.1Å
107P89.4Confident85.6Confident80 Ų8042.9 Ų42.952%0.51925%0.247SC..Hα-helixtrans-65.4-37.8-178.4-23.636.4000113.1A103 G111A103-P107 WeakPolarHBondContact O-CD 3.29Å; A103-P107 WeakPolarHBondContact O-CG 3.17Å; P107-G111 PolarHBondContact O-N 2.99Å
108L87.8Confident85Confident17 Ų1750 Ų509%0.08927%0.271CS..Hα-helixtrans-64.9-46.5177.9-74.3171.7000111.7M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.45Å; M71-L108 VanDerWaalsContact CE-CD2 3.45Å; M71-L108 HydrophobicContact CG-CD2 4Å; M71-L108 HydrophobicContact SD-CD2 3.48Å; M71-L108 WeakPolarHBondContact SD-CD2 3.47Å; L75-L108 HydrophobicContact CD1-CD1 3.65Å; L75-L108 HydrophobicContact CD2-CD1 3.49Å; L75-L108 VanDerWaalsContact CD2-CD1 3.49Å; L75-L108 HydrophobicContact CG-CD1 4.19Å; M104-L108 VanDerWaalsContact O-CD1 3.31Å; M104-L108 WeakPolarHBondContact O-CD1 3.49Å; M104-L108 WeakPolarHBondContact O-CG 3.43Å; A105-L108 PolarHBondContact O-N 2.91Å; I106-L108 PolarHBondContact O-N 3.43Å; L108-G111 PolarHBondContact O-N 3.3Å; L108-A112 PolarHBondContact O-N 3.19Å; L108-A112 VanDerWaalsContact O-N 3.11Å; L108-F214 HydrophobicContact CD1-CE1 4.15Å; L108-V218 HydrophobicContact CB-CG1 4.38Å
109W86.5Confident84.3Confident36 Ų3649 Ų4914%0.13627%0.27CS..Hα-helixtrans-64.8-47.5176.317290.1000111.5A105 I106 G111 A112 V113 L149 L150 P153A105-W109 VanDerWaalsContact O-CB 3.3Å; A105-W109 WeakPolarHBondContact O-CB 3.37Å; A105-W109 PolarHBondContact O-N 3Å; I106-W109 PolarHBondContact O-N 3.39Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 2.93Å; W109-A112 PolarHBondContact O-N 2.83Å; W109-A112 VanDerWaalsContact O-N 3.14Å; W109-V113 HydrophobicContact CD2-CG2 4.1Å; W109-V113 HydrophobicContact CH2-CG2 4.4Å; W109-V113 HydrophobicContact CZ2-CG2 3.91Å; W109-V113 WeakPolarHBondContact O-CG2 3.44Å; W109-V113 PolarHBondContact O-N 3.13Å; W109-L149 HydrophobicContact CH2-CD2 4.16Å; W109-L149 HydrophobicContact CZ2-CD2 3.47Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.47Å; W109-L149 HydrophobicContact CZ2-CG 3.93Å; W109-L149 VanDerWaalsContact CZ2-O 3.3Å; W109-L149 WeakPolarHBondContact CZ2-O 3.14Å; W109-L149 PolarHBondContact NE1-O 2.99Å; W109-L150 HydrophobicContact CH2-CD2 3.67Å; W109-L150 HydrophobicContact CZ2-CD2 4.19Å; W109-P153 HydrophobicContact CB-CB 3.87Å; W109-P153 HydrophobicContact CB-CG 4.34Å; W109-P153 HydrophobicContact CD2-CB 4.29Å; W109-P153 HydrophobicContact CD2-CG 3.78Å; W109-P153 HydrophobicContact CE3-CG 4.32Å; W109-P153 HydrophobicContact CG-CB 3.8Å; W109-P153 HydrophobicContact CG-CG 3.76Å
110A85.6Confident83.5Confident26 Ų2649.6 Ų49.622%0.21526%0.261CS..Hα-helixtrans-60.6-40.7179.200000110.9I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.48Å; I106-A110 PolarHBondContact O-N 3.1Å; A110-V113 PolarHBondContact O-N 2.85Å; A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.37Å; A110-I114 WeakPolarHBondContact O-CD1 3.5Å; A110-I114 WeakPolarHBondContact O-CG1 3.45Å; A110-I114 PolarHBondContact O-N 3.29Å
111G85.9Confident82.5Confident24 Ų2452.7 Ų52.725%0.24728%0.278CS..Hα-helixtrans-60.1-44.8174.800000113P107 L108 W109 M115P107-G111 PolarHBondContact O-N 2.99Å; L108-G111 PolarHBondContact O-N 3.3Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 2.93Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.41Å; G111-M115 PolarHBondContact O-N 3.08Å
112A83.9Confident81.5Confident1 Ų161.7 Ų61.71%0.00832%0.317CS..Hα-helixtrans-63.4-45.8177.100000111.9L108 W109 M115 G116 L222L108-A112 PolarHBondContact O-N 3.19Å; L108-A112 VanDerWaalsContact O-N 3.11Å; W109-A112 PolarHBondContact O-N 2.83Å; W109-A112 VanDerWaalsContact O-N 3.14Å; A112-M115 PolarHBondContact O-N 3.19Å; A112-G116 PolarHBondContact O-N 3.29Å; A112-L222 HydrophobicContact CB-CD1 4.5Å
113V83.1Confident80.6Confident14 Ų1464.5 Ų64.59%0.08533%0.332CS..Hα-helixtrans-65.2-46.1179.3172.50000111.6W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.1Å; W109-V113 HydrophobicContact CH2-CG2 4.4Å; W109-V113 HydrophobicContact CZ2-CG2 3.91Å; W109-V113 WeakPolarHBondContact O-CG2 3.44Å; W109-V113 PolarHBondContact O-N 3.13Å; A110-V113 PolarHBondContact O-N 2.85Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.1Å; V113-G116 PolarHBondContact O-N 3.46Å; V113-G116 VanDerWaalsContact O-N 3.14Å; V113-F117 HydrophobicContact CG1-CD2 3.63Å; V113-F117 HydrophobicContact CG1-CE2 3.36Å; V113-F117 VanDerWaalsContact O-CD2 3.23Å; V113-F117 WeakPolarHBondContact O-CD2 3.29Å; V113-F117 PolarHBondContact O-N 3.42Å
114I84.3Confident79.5Confident96 Ų9662.2 Ų62.249%0.49231%0.313SS..Hα-helixtrans-61.3-39.2176.9-68.4163.8000110.6A110 G116 F117 R118A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.37Å; A110-I114 WeakPolarHBondContact O-CD1 3.5Å; A110-I114 WeakPolarHBondContact O-CG1 3.45Å; A110-I114 PolarHBondContact O-N 3.29Å; I114-G116 VanDerWaalsContact C-N 3.35Å; I114-F117 PolarHBondContact O-N 3.15Å; I114-R118 HydrophobicContact CG2-CG 4.43Å; I114-R118 WeakPolarHBondContact O-CB 3.35Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.28Å; I114-R118 PolarHBondContact O-N 3.36Å
115M81.6Confident78.4Confident48 Ų4865.5 Ų65.524%0.23633%0.331CS..Hα-helixtrans-65.6-37.7176.2-171.6167.5-179.600112.1W68 G111 A112 V113 R118 S119 L222W68-M115 HydrophobicContact CZ2-SD 3.97Å; W68-M115 PolarHBondContact NE1-SD 3.02Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.41Å; G111-M115 PolarHBondContact O-N 3.08Å; A112-M115 PolarHBondContact O-N 3.19Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.1Å; M115-R118 PolarHBondContact O-N 3.17Å; M115-S119 WeakPolarHBondContact O-CB 3.44Å; M115-S119 PolarHBondContact O-N 2.71Å; M115-S119 PolarHBondContact O-OG 3.18Å; M115-L222 HydrophobicContact SD-CD1 4.32Å
116G76.9Confident77.3Confident2 Ų268.1 Ų68.12%0.02135%0.352CS..Hα-helixtrans-61.6-50.8172.900000112.9A112 V113 I114 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 3.29Å; V113-G116 PolarHBondContact O-N 3.46Å; V113-G116 VanDerWaalsContact O-N 3.14Å; I114-G116 VanDerWaalsContact C-N 3.35Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 2.94Å; G116-S119 PolarHBondContact O-N 3.19Å; G116-S119 PolarHBondContact O-OG 3.15Å; G116-K120 PolarHBondContact O-N 3.26Å; G116-N225 VanDerWaalsContact CA-O 3.26Å; G116-N225 WeakPolarHBondContact CA-O 3.31Å
117F78.4Confident76.2Confident77 Ų7769.7 Ų69.734%0.33836%0.358SS..Hα-helixtrans-59.8-40.7175.6-77.5-64.2000112.1V113 I114 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.63Å; V113-F117 HydrophobicContact CG1-CE2 3.36Å; V113-F117 VanDerWaalsContact O-CD2 3.23Å; V113-F117 WeakPolarHBondContact O-CD2 3.29Å; V113-F117 PolarHBondContact O-N 3.42Å; I114-F117 PolarHBondContact O-N 3.15Å; F117-I121 WeakPolarHBondContact O-CG1 3.39Å; F117-A124 HydrophobicContact CD1-CB 4.25Å; F117-A124 HydrophobicContact CE1-CB 4.34Å; F117-L125 HydrophobicContact CD1-CD1 4.18Å; F117-L125 HydrophobicContact CE1-CD1 3.78Å; F117-F128 HydrophobicContact CZ-CE2 4.43Å
118R77.4Confident75Confident216 Ų21667.6 Ų67.682%0.81534%0.341SS*.Hα-helixtrans-69.3-34.3178.7-73.9-179.969.2-1681.9113.5I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.43Å; I114-R118 WeakPolarHBondContact O-CB 3.35Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.28Å; I114-R118 PolarHBondContact O-N 3.36Å; M115-R118 PolarHBondContact O-N 3.17Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 2.94Å
119S69.9Low73.9Confident48 Ų4869.6 Ų69.634%0.33635%0.351SS..Hα-helixtrans-88.6-39.6-172.9750000113.4M115 G116 N225M115-S119 WeakPolarHBondContact O-CB 3.44Å; M115-S119 PolarHBondContact O-N 2.71Å; M115-S119 PolarHBondContact O-OG 3.18Å; G116-S119 PolarHBondContact O-N 3.19Å; G116-S119 PolarHBondContact O-OG 3.15Å; S119-N225 PolarHBondContact OG-O 3.07Å
120K71.9Confident72.8Confident98 Ų9871.3 Ų71.343%0.42637%0.367SS..  trans-147.271-175.9-67.3176.6-179.51600111.6G116 K122 N123 A124 T226G116-K120 PolarHBondContact O-N 3.26Å; K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 2.98Å; K120-N123 HydrophobicContact CB-CB 3.92Å; K120-N123 HydrophobicContact CD-CB 4.3Å; K120-N123 PolarHBondContact O-N 2.95Å; K120-N123 VanDerWaalsContact O-N 3.11Å; K120-A124 WeakPolarHBondContact O-CB 3.27Å; K120-A124 PolarHBondContact O-N 2.97Å; K120-T226 WeakPolarHBondContact CE-O 3.35Å; K120-T226 PolarHBondContact NZ-O 3.36Å
121I66.4Low71.7Confident107 Ų10779.8 Ų79.855%0.54940%0.402SS..Hα-helixtrans-47.1-49.1177.3-59.9171.2000111.8F117 N123 A124 L125F117-I121 WeakPolarHBondContact O-CG1 3.39Å; I121-N123 PolarHBondContact O-N 3.45Å; I121-A124 PolarHBondContact O-N 2.92Å; I121-L125 HydrophobicContact CG2-CD1 3.86Å; I121-L125 WeakPolarHBondContact O-CD1 3.1Å; I121-L125 PolarHBondContact O-N 3.35Å
122K66.3Low70.6Confident190 Ų19082.5 Ų82.583%0.82643%0.43SS*.Hα-helixtrans-66.2-37.6-176-63.4-174.9-178.7-1770113.2K120 A126K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 2.98Å; K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 2.96Å; K122-A126 PolarHBondContact O-N 3.25Å
123N68.3Low70.1Confident100 Ų10084 Ų8454%0.53544%0.44SS..Hα-helixtrans-78.2-36.7-178.4-152.462.4000111.3K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.92Å; K120-N123 HydrophobicContact CD-CB 4.3Å; K120-N123 PolarHBondContact O-N 2.95Å; K120-N123 VanDerWaalsContact O-N 3.11Å; I121-N123 PolarHBondContact O-N 3.45Å; N123-A126 PolarHBondContact O-N 3.36Å; N123-H127 PolarHBondContact O-N 3.33Å; N123-H127 VanDerWaalsContact O-N 3.08Å
124A64.8Low69.7Low17 Ų1787 Ų8714%0.1446%0.459CS..Hα-helixtrans-62.9-42.9173.400000111.4F117 K120 I121 H127F117-A124 HydrophobicContact CD1-CB 4.25Å; F117-A124 HydrophobicContact CE1-CB 4.34Å; K120-A124 WeakPolarHBondContact O-CB 3.27Å; K120-A124 PolarHBondContact O-N 2.97Å; I121-A124 PolarHBondContact O-N 2.92Å; A124-H127 PolarHBondContact O-N 3.34Å
125L64.4Low69.4Low95 Ų9588.1 Ų88.150%0.49747%0.471SS..Hα-helixtrans-70-32.7174.8-88.780.5000112.8F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.18Å; F117-L125 HydrophobicContact CE1-CD1 3.78Å; I121-L125 HydrophobicContact CG2-CD1 3.86Å; I121-L125 WeakPolarHBondContact O-CD1 3.1Å; I121-L125 PolarHBondContact O-N 3.35Å; L125-H127 VanDerWaalsContact C-N 3.3Å; L125-H127 PolarHBondContact O-N 3.34Å; L125-F128 PolarHBondContact O-N 2.91Å
126A62.3Low69.4Low57 Ų5790.7 Ų90.747%0.47149%0.491SS..Hα-helixtrans-67.9-28.6176.600000112.7K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 2.96Å; K122-A126 PolarHBondContact O-N 3.25Å; N123-A126 PolarHBondContact O-N 3.36Å; A126-F128 PolarHBondContact O-N 2.93Å; A126-L129 PolarHBondContact O-N 3.41Å; A126-L129 VanDerWaalsContact O-N 3.09Å
127H65.9Low69.7Low114 Ų11495.6 Ų95.653%0.52852%0.516SS..THydrogen-bonded Turntrans-65-21175.9-162.8-65.8000112.9N123 A124 L125 L129N123-H127 PolarHBondContact O-N 3.33Å; N123-H127 VanDerWaalsContact O-N 3.08Å; A124-H127 PolarHBondContact O-N 3.34Å; L125-H127 VanDerWaalsContact C-N 3.3Å; L125-H127 PolarHBondContact O-N 3.34Å; H127-L129 PolarHBondContact O-N 3.36Å
128F63.6Low69.8Low37 Ų3794.3 Ų94.316%0.16251%0.512CS..THydrogen-bonded Turntrans-68.6-15.2173.9-68.1-57.5000113.4F117 L125 A126 L141 E145 T146 L149F117-F128 HydrophobicContact CZ-CE2 4.43Å; L125-F128 PolarHBondContact O-N 2.91Å; A126-F128 PolarHBondContact O-N 2.93Å; F128-L141 WeakPolarHBondContact O-CD2 3.35Å; F128-E145 HydrophobicContact CD1-CB 4.32Å; F128-E145 HydrophobicContact CD1-CG 3.91Å; F128-T146 HydrophobicContact CD1-CG2 4.16Å; F128-T146 HydrophobicContact CE1-CG2 3.96Å; F128-T146 HydrophobicContact CZ-CG2 4.44Å; F128-L149 HydrophobicContact CE1-CD1 4.4Å
129L65.6Low69.9Low59 Ų5988.1 Ų88.131%0.30950%0.5SS..SBendtrans-123.5116.4177.7-111.177.7000111.7A126 H127 I138 V142A126-L129 PolarHBondContact O-N 3.41Å; A126-L129 VanDerWaalsContact O-N 3.09Å; H127-L129 PolarHBondContact O-N 3.36Å; L129-I138 HydrophobicContact CD1-CG2 4.08Å; L129-I138 HydrophobicContact CD2-CD1 4.16Å; L129-I138 HydrophobicContact CD2-CG1 4.15Å; L129-I138 HydrophobicContact CD2-CG2 3.95Å; L129-I138 HydrophobicContact CG-CG2 4.47Å; L129-V142 HydrophobicContact CD1-CG2 3.26Å
130P61.9Low70.6Confident72 Ų7291.3 Ų91.347%0.46851%0.511SS..  trans-63.3139.2165.518.6-19.1000109.9G132 T133 L141P130-G132 PolarHBondContact O-N 2.99Å; P130-T133 HydrophobicContact CB-CG2 4.42Å; P130-T133 HydrophobicContact CG-CG2 3.69Å; P130-T133 WeakPolarHBondContact O-CG2 3.42Å; P130-L141 HydrophobicContact CG-CD1 3.86Å; P130-L141 HydrophobicContact CG-CD2 4.08Å
131Q61.9Low71.2Confident203 Ų20388.9 Ų88.995%0.94950%0.502SS*.THydrogen-bonded Turntrans-66.3129.6-179.7-62.5-1611.500110.4
132G63.6Low71.9Confident82 Ų8286 Ų8685%0.84549%0.49SS*.THydrogen-bonded Turntrans98.713176.700000115.9P130P130-G132 PolarHBondContact O-N 2.99Å
133T73.1Confident72.9Confident33 Ų3381.3 Ų81.320%0.20247%0.472CS..  trans-71.7134.9175.453.70000112.3P130 L141P130-T133 HydrophobicContact CB-CG2 4.42Å; P130-T133 HydrophobicContact CG-CG2 3.69Å; P130-T133 WeakPolarHBondContact O-CG2 3.42Å; T133-L141 HydrophobicContact CG2-CD1 3.85Å
134P75.3Confident73.7Confident75 Ų7581 Ų8149%0.48747%0.47SS..  trans-65.5140.4176.728.9-35.2000110.5P136 L137P134-P136 WeakPolarHBondContact O-CD 3.48Å; P134-P136 VanDerWaalsContact O-N 3.13Å; P134-L137 HydrophobicContact CG-CB 4.39Å; P134-L137 HydrophobicContact CG-CD1 3.65Å; P134-L137 HydrophobicContact CG-CG 4.17Å; P134-L137 PolarHBondContact O-N 2.98Å
135T77.2Confident74.6Confident121 Ų12183 Ų8374%0.74248%0.477SS*.THydrogen-bonded Turntrans-50.5-34.6-171.250.80000117
136P83.4Confident75.4Confident102 Ų10281 Ų8166%0.66247%0.468SS*.THydrogen-bonded Turntrans-76.3-22.1179.227.8-34.6000114.5P134 P139P134-P136 WeakPolarHBondContact O-CD 3.48Å; P134-P136 VanDerWaalsContact O-N 3.13Å; P136-P139 WeakPolarHBondContact O-CD 3.33Å
137L81.6Confident76.5Confident104 Ų10482.3 Ų82.355%0.54547%0.466SS..THydrogen-bonded Turntrans-86.9-11.3-177.5-65.9175.6000113.2P134 M140 L141P134-L137 HydrophobicContact CG-CB 4.39Å; P134-L137 HydrophobicContact CG-CD1 3.65Å; P134-L137 HydrophobicContact CG-CG 4.17Å; P134-L137 PolarHBondContact O-N 2.98Å; L137-M140 PolarHBondContact O-N 3.41Å; L137-L141 PolarHBondContact O-N 3.43Å; L137-L141 VanDerWaalsContact O-N 3.13Å
138I80.1Confident77.4Confident51 Ų5179.4 Ų79.426%0.26246%0.459SS..Hα-helixtrans-54.7-49.8-176.1-68.3177.6000112.7L129 M140 L141 V142L129-I138 HydrophobicContact CD1-CG2 4.08Å; L129-I138 HydrophobicContact CD2-CD1 4.16Å; L129-I138 HydrophobicContact CD2-CG1 4.15Å; L129-I138 HydrophobicContact CD2-CG2 3.95Å; L129-I138 HydrophobicContact CG-CG2 4.47Å; I138-M140 VanDerWaalsContact C-N 3.33Å; I138-M140 PolarHBondContact O-N 3.42Å; I138-L141 PolarHBondContact O-N 3.27Å; I138-V142 WeakPolarHBondContact O-CG2 3.31Å; I138-V142 PolarHBondContact O-N 2.98Å
139P80.6Confident78.3Confident85 Ų8579.9 Ų79.955%0.55246%0.463SS*.Hα-helixtrans-64.5-36.9-175.5-21.334000113P136 I143P136-P139 WeakPolarHBondContact O-CD 3.33Å; P139-I143 WeakPolarHBondContact O-CG1 3.28Å; P139-I143 PolarHBondContact O-N 3.08Å
140M83.8Confident79.1Confident115 Ų11582.1 Ų82.157%0.56748%0.475SS*.Hα-helixtrans-69.9-40.5179.2-173.263.9-173.300111.5L137 I138 I143 I144L137-M140 PolarHBondContact O-N 3.41Å; I138-M140 VanDerWaalsContact C-N 3.33Å; I138-M140 PolarHBondContact O-N 3.42Å; M140-I143 PolarHBondContact O-N 3.01Å; M140-I144 HydrophobicContact CE-CD1 3.97Å; M140-I144 HydrophobicContact CE-CG1 4.18Å; M140-I144 HydrophobicContact CG-CD1 4.09Å; M140-I144 WeakPolarHBondContact O-CG1 3.22Å; M140-I144 PolarHBondContact O-N 3.4Å; M140-I144 VanDerWaalsContact O-N 3.1Å
141L85.1Confident80.2Confident47 Ų4783.3 Ų83.325%0.24648%0.476CS..Hα-helixtrans-66.2-40.8-178.5-165.8152.2000111.8F128 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 3.35Å; P130-L141 HydrophobicContact CG-CD1 3.86Å; P130-L141 HydrophobicContact CG-CD2 4.08Å; T133-L141 HydrophobicContact CG2-CD1 3.85Å; L137-L141 PolarHBondContact O-N 3.43Å; L137-L141 VanDerWaalsContact O-N 3.13Å; I138-L141 PolarHBondContact O-N 3.27Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 3.49Å; L141-I144 PolarHBondContact O-N 2.91Å; L141-E145 WeakPolarHBondContact O-CB 3.38Å; L141-E145 PolarHBondContact O-N 3.16Å
142V82.2Confident81.2Confident47 Ų4777 Ų7729%0.28545%0.446SS..Hα-helixtrans-59.5-41.5175.6175.90000111.3L129 I138 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.26Å; I138-V142 WeakPolarHBondContact O-CG2 3.31Å; I138-V142 PolarHBondContact O-N 2.98Å; V142-E145 PolarHBondContact O-N 2.68Å; V142-T146 HydrophobicContact CG1-CG2 4.32Å; V142-T146 WeakPolarHBondContact O-CB 3.38Å; V142-T146 VanDerWaalsContact O-CG2 3.25Å; V142-T146 WeakPolarHBondContact O-CG2 3.47Å; V142-T146 PolarHBondContact O-N 2.9Å; V142-T146 PolarHBondContact O-OG1 3.14Å
143I85.3Confident81.9Confident91 Ų9173.5 Ų73.547%0.46741%0.409SS..Hα-helixtrans-63.8-44.5177.5-65.9167.5000110.5P139 M140 L141 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.28Å; P139-I143 PolarHBondContact O-N 3.08Å; M140-I143 PolarHBondContact O-N 3.01Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 3.49Å; I143-T146 WeakPolarHBondContact CA-OG1 3.48Å; I143-T146 PolarHBondContact O-OG1 3.4Å; I143-I147 HydrophobicContact CG2-CD1 3.78Å; I143-I147 WeakPolarHBondContact O-CB 3.24Å; I143-I147 WeakPolarHBondContact O-CD1 3.07Å; I143-I147 VanDerWaalsContact O-CG1 3.23Å; I143-I147 WeakPolarHBondContact O-CG1 3.32Å; I143-I147 PolarHBondContact O-N 3.37Å
144I86Confident82.4Confident94 Ų9475.9 Ų75.948%0.48242%0.419SS..Hα-helixtrans-64.9-43.5179.3-64.5165.9000111M140 L141 I147 S148M140-I144 HydrophobicContact CE-CD1 3.97Å; M140-I144 HydrophobicContact CE-CG1 4.18Å; M140-I144 HydrophobicContact CG-CD1 4.09Å; M140-I144 WeakPolarHBondContact O-CG1 3.22Å; M140-I144 PolarHBondContact O-N 3.4Å; M140-I144 VanDerWaalsContact O-N 3.1Å; L141-I144 PolarHBondContact O-N 2.91Å; I144-I147 PolarHBondContact O-N 3.44Å; I144-S148 WeakPolarHBondContact O-CB 3.35Å; I144-S148 PolarHBondContact O-N 3.42Å
145E84.2Confident82.9Confident60 Ų6074.3 Ų74.328%0.2841%0.412SS..Hα-helixtrans-67.9-39.7-178.5-16761.1-158.800111.8F128 L141 V142 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.32Å; F128-E145 HydrophobicContact CD1-CG 3.91Å; L141-E145 WeakPolarHBondContact O-CB 3.38Å; L141-E145 PolarHBondContact O-N 3.16Å; V142-E145 PolarHBondContact O-N 2.68Å; E145-I147 VanDerWaalsContact C-N 3.33Å; E145-I147 PolarHBondContact O-N 3.19Å; E145-S148 WeakPolarHBondContact O-CB 3.32Å; E145-S148 PolarHBondContact O-N 3.46Å; E145-L149 WeakPolarHBondContact O-CB 3.18Å; E145-L149 PolarHBondContact O-N 2.99Å
146T81.6Confident83Confident53 Ų5368.8 Ų68.833%0.32538%0.378SS..Hα-helixtrans-63.4-38.917452.20000112.2F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.16Å; F128-T146 HydrophobicContact CE1-CG2 3.96Å; F128-T146 HydrophobicContact CZ-CG2 4.44Å; V142-T146 HydrophobicContact CG1-CG2 4.32Å; V142-T146 WeakPolarHBondContact O-CB 3.38Å; V142-T146 VanDerWaalsContact O-CG2 3.25Å; V142-T146 WeakPolarHBondContact O-CG2 3.47Å; V142-T146 PolarHBondContact O-N 2.9Å; V142-T146 PolarHBondContact O-OG1 3.14Å; I143-T146 WeakPolarHBondContact CA-OG1 3.48Å; I143-T146 PolarHBondContact O-OG1 3.4Å; T146-L150 WeakPolarHBondContact O-CG 3.46Å; T146-L150 PolarHBondContact O-N 2.94Å
147I85.6Confident83Confident84 Ų8464 Ų6443%0.43135%0.346SS..Hα-helixtrans-66.7-43.8173.6-68.2166.9000110.9I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.78Å; I143-I147 WeakPolarHBondContact O-CB 3.24Å; I143-I147 WeakPolarHBondContact O-CD1 3.07Å; I143-I147 VanDerWaalsContact O-CG1 3.23Å; I143-I147 WeakPolarHBondContact O-CG1 3.32Å; I143-I147 PolarHBondContact O-N 3.37Å; I144-I147 PolarHBondContact O-N 3.44Å; E145-I147 VanDerWaalsContact C-N 3.33Å; E145-I147 PolarHBondContact O-N 3.19Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.28Å; I147-L150 PolarHBondContact O-N 3.29Å; I147-L150 VanDerWaalsContact O-N 3.16Å; I147-I151 HydrophobicContact CG2-CD1 3.47Å; I147-I151 VanDerWaalsContact CG2-CD1 3.47Å; I147-I151 HydrophobicContact CG2-CG1 4.13Å; I147-I151 WeakPolarHBondContact O-CG1 3.29Å; I147-I151 PolarHBondContact O-N 3.37Å
148S84.2Confident83.2Confident52 Ų5262 Ų6236%0.36434%0.339SS..Hα-helixtrans-57.6-46.4178.5-176.70000111.8I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.35Å; I144-S148 PolarHBondContact O-N 3.42Å; E145-S148 WeakPolarHBondContact O-CB 3.32Å; E145-S148 PolarHBondContact O-N 3.46Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.22Å; S148-I151 PolarHBondContact O-N 2.86Å; S148-Q152 PolarHBondContact O-N 2.96Å; S148-Q152 VanDerWaalsContact O-N 3.12Å
149L82.8Confident83.5Confident47 Ų4764.3 Ų64.325%0.24634%0.344CS..Hα-helixtrans-60.5-35.7177.5-175.4123.1000112.4W109 F128 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.16Å; W109-L149 HydrophobicContact CZ2-CD2 3.47Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.47Å; W109-L149 HydrophobicContact CZ2-CG 3.93Å; W109-L149 VanDerWaalsContact CZ2-O 3.3Å; W109-L149 WeakPolarHBondContact CZ2-O 3.14Å; W109-L149 PolarHBondContact NE1-O 2.99Å; F128-L149 HydrophobicContact CE1-CD1 4.4Å; E145-L149 WeakPolarHBondContact O-CB 3.18Å; E145-L149 PolarHBondContact O-N 2.99Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.28Å; L149-P153 WeakPolarHBondContact O-CD 3.3Å
150L82.3Confident83.6Confident107 Ų10760.3 Ų60.356%0.5632%0.318SS*.Hα-helixtrans-78.2-35.3176.8-71174.1000113.6W109 T146 I147 S148 P153W109-L150 HydrophobicContact CH2-CD2 3.67Å; W109-L150 HydrophobicContact CZ2-CD2 4.19Å; T146-L150 WeakPolarHBondContact O-CG 3.46Å; T146-L150 PolarHBondContact O-N 2.94Å; I147-L150 PolarHBondContact O-N 3.29Å; I147-L150 VanDerWaalsContact O-N 3.16Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.22Å; L150-P153 WeakPolarHBondContact O-CD 3.43Å; L150-P153 WeakPolarHBondContact O-CG 3.27Å
151I84.9Confident83.7Confident97 Ų9755.4 Ų55.450%0.49730%0.295SS..Hα-helixtrans-72.6-31.5-179.1-69.8174000111.3I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.47Å; I147-I151 VanDerWaalsContact CG2-CD1 3.47Å; I147-I151 HydrophobicContact CG2-CG1 4.13Å; I147-I151 WeakPolarHBondContact O-CG1 3.29Å; I147-I151 PolarHBondContact O-N 3.37Å; S148-I151 PolarHBondContact O-N 2.86Å; I151-M154 CarbonylContact O-C 3.51Å; I151-M154 WeakPolarHBondContact O-CB 3.38Å; I151-M154 PolarHBondContact O-N 3.33Å; I151-M154 VanDerWaalsContact O-N 3.11Å; I151-A155 HydrophobicContact CG2-CB 4.42Å; I151-A155 WeakPolarHBondContact O-CB 3.31Å; I151-A155 PolarHBondContact O-N 2.83Å
152Q83.1Confident83.6Confident70 Ų7055.2 Ų55.233%0.32730%0.3SS..Hα-helixtrans-51-52.7-177.5-111.9174.7-19.600116S148 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 2.96Å; S148-Q152 VanDerWaalsContact O-N 3.12Å; Q152-M154 VanDerWaalsContact C-N 3.29Å; Q152-M154 PolarHBondContact O-N 3.4Å; Q152-A155 PolarHBondContact O-N 3.27Å; Q152-L156 WeakPolarHBondContact O-CB 3.45Å; Q152-L156 PolarHBondContact O-N 3.05Å; Q152-Y221 WeakPolarHBondContact CB-OH 3.47Å; Q152-Y221 HydrophobicContact CG-CE1 4.38Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.35Å; Q152-Y221 PolarHBondContact NE2-OH 3.4Å; Q152-Y221 PolarHBondContact OE1-OH 3.48Å
153P78.4Confident83.9Confident9 Ų955.9 Ų55.96%0.05830%0.302CS..Hα-helixtrans-64.9-34.1177.824.7-35.1000112.4W109 L149 L150 L156 A157W109-P153 HydrophobicContact CB-CB 3.87Å; W109-P153 HydrophobicContact CB-CG 4.34Å; W109-P153 HydrophobicContact CD2-CB 4.29Å; W109-P153 HydrophobicContact CD2-CG 3.78Å; W109-P153 HydrophobicContact CE3-CG 4.32Å; W109-P153 HydrophobicContact CG-CB 3.8Å; W109-P153 HydrophobicContact CG-CG 3.76Å; L149-P153 WeakPolarHBondContact O-CD 3.3Å; L150-P153 WeakPolarHBondContact O-CD 3.43Å; L150-P153 WeakPolarHBondContact O-CG 3.27Å; P153-L156 WeakPolarHBondContact O-CB 3.45Å; P153-A157 PolarHBondContact O-N 3.36Å
154M83.6Confident83.9Confident82 Ų8252.2 Ų52.240%0.40428%0.283SS..Hα-helixtrans-65.7-46.9175-165.178.4-169.900110.8L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD2-CE 4.36Å; L102-M154 HydrophobicContact CD1-CE 4.38Å; L102-M154 HydrophobicContact CD1-SD 3.45Å; L102-M154 WeakPolarHBondContact CD1-SD 3.34Å; L102-M154 HydrophobicContact CD2-CE 4.39Å; L102-M154 HydrophobicContact CD2-SD 4.2Å; L102-M154 HydrophobicContact CG-SD 4.49Å; I151-M154 CarbonylContact O-C 3.51Å; I151-M154 WeakPolarHBondContact O-CB 3.38Å; I151-M154 PolarHBondContact O-N 3.33Å; I151-M154 VanDerWaalsContact O-N 3.11Å; Q152-M154 VanDerWaalsContact C-N 3.29Å; Q152-M154 PolarHBondContact O-N 3.4Å; M154-L156 VanDerWaalsContact C-N 3.28Å; M154-L156 PolarHBondContact O-N 3.42Å; M154-A157 PolarHBondContact O-N 3.37Å; M154-V158 VanDerWaalsContact O-CG2 3.31Å; M154-V158 WeakPolarHBondContact O-CG2 3.35Å; M154-V158 PolarHBondContact O-N 3.22Å
155A84.8Confident84Confident42 Ų4249.4 Ų49.435%0.34727%0.27SS..Hα-helixtrans-62-36.8179.300000112.1I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.42Å; I151-A155 WeakPolarHBondContact O-CB 3.31Å; I151-A155 PolarHBondContact O-N 2.83Å; Q152-A155 PolarHBondContact O-N 3.27Å; A155-R159 VanDerWaalsContact O-CB 3.29Å; A155-R159 WeakPolarHBondContact O-CB 3.41Å; A155-R159 PolarHBondContact O-N 2.73Å
156L79.3Confident84.1Confident6 Ų649.2 Ų49.23%0.03128%0.279CS..Hα-helixtrans-61.9-48.2174.7-165.388.5000111.9A105 Q152 P153 M154 R159 L160 F214 L217 V218A105-L156 HydrophobicContact CB-CD2 4.44Å; Q152-L156 WeakPolarHBondContact O-CB 3.45Å; Q152-L156 PolarHBondContact O-N 3.05Å; P153-L156 WeakPolarHBondContact O-CB 3.45Å; M154-L156 VanDerWaalsContact C-N 3.28Å; M154-L156 PolarHBondContact O-N 3.42Å; L156-R159 PolarHBondContact O-N 3.26Å; L156-L160 PolarHBondContact O-N 3.01Å; L156-F214 HydrophobicContact CD1-CD2 4.24Å; L156-F214 HydrophobicContact CD2-CD1 4.14Å; L156-F214 HydrophobicContact CD2-CD2 3.27Å; L156-F214 HydrophobicContact CD2-CE1 4.01Å; L156-F214 HydrophobicContact CD2-CE2 3.12Å; L156-F214 HydrophobicContact CD2-CG 3.79Å; L156-F214 HydrophobicContact CD2-CZ 3.52Å; L156-F214 HydrophobicContact CG-CD2 3.45Å; L156-F214 VanDerWaalsContact CG-CD2 3.45Å; L156-F214 HydrophobicContact CG-CE2 3.66Å; L156-F214 HydrophobicContact CG-CG 4.16Å; L156-L217 HydrophobicContact CD1-CB 3.94Å; L156-L217 HydrophobicContact CD1-CD1 3.34Å; L156-L217 HydrophobicContact CD1-CG 4.26Å; L156-V218 HydrophobicContact CD2-CG2 4.46Å
157A83.1Confident84.3Confident0 Ų047.7 Ų47.70%027%0.271CS..Hα-helixtrans-64.4-45179.400000111.7L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.33Å; N101-A157 HydrophobicContact CB-CB 3.89Å; N101-A157 PolarHBondContact ND2-O 3.27Å; L102-A157 HydrophobicContact CB-CB 4.47Å; L102-A157 HydrophobicContact CD1-CB 4.14Å; A105-A157 HydrophobicContact CB-CB 4.25Å; P153-A157 PolarHBondContact O-N 3.36Å; M154-A157 PolarHBondContact O-N 3.37Å; A157-R159 VanDerWaalsContact C-N 3.35Å; A157-R159 PolarHBondContact O-N 3.08Å; A157-L160 PolarHBondContact O-N 3.06Å; A157-T161 PolarHBondContact O-N 3.12Å; A157-T161 VanDerWaalsContact O-N 3.11Å; A157-T161 PolarHBondContact O-OG1 3.21Å
158V86.9Confident84.4Confident63 Ų6345.1 Ų45.138%0.38226%0.258SS..Hα-helixtrans-63.3-40.1177.5172.90000111.3L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.91Å; M154-V158 VanDerWaalsContact O-CG2 3.31Å; M154-V158 WeakPolarHBondContact O-CG2 3.35Å; M154-V158 PolarHBondContact O-N 3.22Å; V158-L160 VanDerWaalsContact C-N 3.27Å; V158-L160 PolarHBondContact O-N 3.14Å; V158-T161 WeakPolarHBondContact CA-OG1 3.48Å; V158-T161 PolarHBondContact O-N 3.07Å; V158-T161 PolarHBondContact O-OG1 3.18Å; V158-A162 WeakPolarHBondContact O-CB 3.37Å; V158-A162 PolarHBondContact O-N 3.25Å
159R86.6Confident84.5Confident99 Ų9944.6 Ų44.637%0.37425%0.251SS..Hα-helixtrans-59-41.8177.1-170.3-173.9-60.5155.12.5111.4A155 L156 A157 N163A155-R159 VanDerWaalsContact O-CB 3.29Å; A155-R159 WeakPolarHBondContact O-CB 3.41Å; A155-R159 PolarHBondContact O-N 2.73Å; L156-R159 PolarHBondContact O-N 3.26Å; A157-R159 VanDerWaalsContact C-N 3.35Å; A157-R159 PolarHBondContact O-N 3.08Å; R159-N163 WeakPolarHBondContact O-CB 3.48Å; R159-N163 PolarHBondContact O-N 3.39Å; R159-N163 PolarHBondContact O-ND2 2.74Å
160L81.4Confident84.8Confident1 Ų145.9 Ų45.91%0.00526%0.257CS..Hα-helixtrans-71.2-43-178.1-160.1137.4000111.5I79 T95 N101 L156 A157 V158 I164 Q210 F214I79-L160 HydrophobicContact CG2-CD1 3.61Å; T95-L160 HydrophobicContact CG2-CD2 3.92Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.26Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.36Å; L156-L160 PolarHBondContact O-N 3.01Å; A157-L160 PolarHBondContact O-N 3.06Å; V158-L160 VanDerWaalsContact C-N 3.27Å; V158-L160 PolarHBondContact O-N 3.14Å; L160-I164 HydrophobicContact CD2-CD1 3.68Å; L160-I164 HydrophobicContact CG-CD1 4.22Å; L160-I164 WeakPolarHBondContact O-CG1 3.33Å; L160-I164 PolarHBondContact O-N 3.37Å; L160-Q210 HydrophobicContact CB-CG 4.19Å; L160-Q210 HydrophobicContact CD1-CG 3.7Å; L160-Q210 HydrophobicContact CG-CG 3.77Å; L160-Q210 VanDerWaalsContact N-NE2 3.13Å; L160-F214 HydrophobicContact CD1-CD2 4.09Å
161T85.3Confident85.2Confident13 Ų1342.3 Ų42.38%0.0824%0.238CC..Hα-helixtrans-64.2-46.517546.40000112.3T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.44Å; L98-T161 VanDerWaalsContact CA-CG2 3.41Å; L98-T161 HydrophobicContact CB-CG2 3.99Å; L98-T161 HydrophobicContact CD1-CG2 4.04Å; N101-T161 HydrophobicContact CB-CG2 4.37Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.49Å; N101-T161 PolarHBondContact ND2-N 2.95Å; A157-T161 PolarHBondContact O-N 3.12Å; A157-T161 VanDerWaalsContact O-N 3.11Å; A157-T161 PolarHBondContact O-OG1 3.21Å; V158-T161 WeakPolarHBondContact CA-OG1 3.48Å; V158-T161 PolarHBondContact O-N 3.07Å; V158-T161 PolarHBondContact O-OG1 3.18Å; T161-N163 PolarHBondContact O-N 2.92Å; T161-I164 PolarHBondContact O-N 3.4Å; T161-T165 VanDerWaalsContact O-CB 3.32Å; T161-T165 WeakPolarHBondContact O-CB 3.23Å; T161-T165 VanDerWaalsContact O-CG2 3.24Å; T161-T165 WeakPolarHBondContact O-CG2 3.26Å; T161-T165 PolarHBondContact O-N 2.73Å; T161-T165 PolarHBondContact O-OG1 3Å
162A84.9Confident85.4Confident42 Ų4242 Ų4235%0.34723%0.234SC..Hα-helixtrans-63.9-43.5-173.200000110.8V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.37Å; V158-A162 PolarHBondContact O-N 3.25Å; A162-T165 WeakPolarHBondContact CA-OG1 3.28Å; A162-T165 PolarHBondContact O-OG1 2.95Å; A162-A166 WeakPolarHBondContact O-CB 3.42Å; A162-A166 PolarHBondContact O-N 3.16Å
163N87.5Confident85.7Confident62 Ų6243 Ų4333%0.33224%0.242SC..Hα-helixtrans-65-44.1-179.6-70.2-7000112R159 T161 A167 V206R159-N163 WeakPolarHBondContact O-CB 3.48Å; R159-N163 PolarHBondContact O-N 3.39Å; R159-N163 PolarHBondContact O-ND2 2.74Å; T161-N163 PolarHBondContact O-N 2.92Å; N163-A167 WeakPolarHBondContact O-CB 3.24Å; N163-A167 PolarHBondContact O-N 3.13Å; N163-A167 VanDerWaalsContact O-N 3.14Å; N163-V206 HydrophobicContact CB-CG1 4.32Å
164I84.8Confident86.3Confident13 Ų1344.1 Ų44.17%0.06725%0.247CC..Hα-helixtrans-74.7-39.2-177.3-58.9172.3000111.2N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.33Å; N83-I164 VanDerWaalsContact CG-CD1 3.45Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.3Å; T93-I164 HydrophobicContact CG2-CG2 4.26Å; T95-I164 VanDerWaalsContact OG1-CD1 3.27Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.27Å; T96-I164 HydrophobicContact CG2-CB 4.29Å; T96-I164 HydrophobicContact CG2-CG2 3.62Å; L160-I164 HydrophobicContact CD2-CD1 3.68Å; L160-I164 HydrophobicContact CG-CD1 4.22Å; L160-I164 WeakPolarHBondContact O-CG1 3.33Å; L160-I164 PolarHBondContact O-N 3.37Å; T161-I164 PolarHBondContact O-N 3.4Å; I164-H168 PolarHBondContact O-N 2.94Å; I164-H168 VanDerWaalsContact O-N 3.14Å
165T87.6Confident86.6Confident36 Ų3641.4 Ų41.422%0.22124%0.239CC..Hα-helixtrans-67.8-47.6177.152.30000112.1F9 T96 T161 A162 A167 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.34Å; F9-T165 HydrophobicContact CE1-CG2 4.06Å; T96-T165 HydrophobicContact CG2-CG2 3.76Å; T161-T165 VanDerWaalsContact O-CB 3.32Å; T161-T165 WeakPolarHBondContact O-CB 3.23Å; T161-T165 VanDerWaalsContact O-CG2 3.24Å; T161-T165 WeakPolarHBondContact O-CG2 3.26Å; T161-T165 PolarHBondContact O-N 2.73Å; T161-T165 PolarHBondContact O-OG1 3Å; A162-T165 WeakPolarHBondContact CA-OG1 3.28Å; A162-T165 PolarHBondContact O-OG1 2.95Å; T165-A167 VanDerWaalsContact C-N 3.28Å; T165-A167 PolarHBondContact O-N 3.17Å; T165-H168 PolarHBondContact O-N 3.13Å; T165-L169 WeakPolarHBondContact O-CB 3.35Å; T165-L169 WeakPolarHBondContact O-CG 3.42Å; T165-L169 PolarHBondContact O-N 3.41Å
166A86.7Confident86.8Confident56 Ų5642.2 Ų42.246%0.46324%0.242SC..Hα-helixtrans-62.3-39.8-18000000111.2A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.42Å; A162-A166 PolarHBondContact O-N 3.16Å; A166-L169 PolarHBondContact O-N 3.28Å; A166-L170 VanDerWaalsContact O-CB 3.23Å; A166-L170 WeakPolarHBondContact O-CB 3.22Å; A166-L170 PolarHBondContact O-N 3.2Å
167A86.5Confident87.2Confident20 Ų2043.8 Ų43.817%0.16526%0.257CS..Hα-helixtrans-73.6-39.6-176.600000112.3N163 T165 L169 L170 M171 E203N163-A167 WeakPolarHBondContact O-CB 3.24Å; N163-A167 PolarHBondContact O-N 3.13Å; N163-A167 VanDerWaalsContact O-N 3.14Å; T165-A167 VanDerWaalsContact C-N 3.28Å; T165-A167 PolarHBondContact O-N 3.17Å; A167-L169 PolarHBondContact O-N 3.33Å; A167-L170 PolarHBondContact O-N 2.89Å; A167-M171 PolarHBondContact O-N 3.1Å; A167-E203 HydrophobicContact CB-CG 3.58Å; A167-E203 WeakPolarHBondContact CB-OE1 3.49Å
168H86.9Confident87.6Confident30 Ų3044.7 Ų44.714%0.13926%0.262CS..Hα-helixtrans-58.7-44.7167.9-98.9-93.8000113.4F9 G86 I164 T165 L170 M171 H172 E203F9-H168 HydrophobicContact CE1-CB 4.06Å; F9-H168 HydrophobicContact CZ-CB 3.79Å; G86-H168 PolarHBondContact O-CE1 3.08Å; G86-H168 PolarHBondContact O-NE2 2.9Å; I164-H168 PolarHBondContact O-N 2.94Å; I164-H168 VanDerWaalsContact O-N 3.14Å; T165-H168 PolarHBondContact O-N 3.13Å; H168-L170 VanDerWaalsContact C-N 3.32Å; H168-L170 PolarHBondContact O-N 3.45Å; H168-M171 PolarHBondContact O-N 2.73Å; H168-H172 WeakPolarHBondContact O-CB 3.45Å; H168-H172 PolarHBondContact O-N 3.01Å; H168-E203 IonicContact CD2-OE1 3.97Å
169L87.8Confident87.7Confident42 Ų4247.7 Ų47.722%0.2228%0.275CS..Hα-helixtrans-61.5-42.4176-77.4172000111.4F6 F9 T165 A166 A167 H172 L173F6-L169 HydrophobicContact CD1-CD2 4.41Å; F6-L169 HydrophobicContact CE1-CD1 4.11Å; F6-L169 HydrophobicContact CE1-CD2 4.05Å; F6-L169 HydrophobicContact CZ-CD2 4.44Å; F9-L169 HydrophobicContact CE2-CD1 4.5Å; F9-L169 HydrophobicContact CE2-CD2 3.69Å; 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 3.35Å; T165-L169 WeakPolarHBondContact O-CG 3.42Å; T165-L169 PolarHBondContact O-N 3.41Å; A166-L169 PolarHBondContact O-N 3.28Å; A167-L169 PolarHBondContact O-N 3.33Å; L169-H172 PolarHBondContact O-N 3.47Å; L169-L173 WeakPolarHBondContact O-CB 3.22Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.31Å; L169-L173 PolarHBondContact O-N 3.48Å
170L88.9Confident87.8Confident73 Ų7345.2 Ų45.238%0.38228%0.276SS..Hα-helixtrans-67.5-44.5-179.1-161.2167.4000110.8A166 A167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.23Å; A166-L170 WeakPolarHBondContact O-CB 3.22Å; A166-L170 PolarHBondContact O-N 3.2Å; A167-L170 PolarHBondContact O-N 2.89Å; H168-L170 VanDerWaalsContact C-N 3.32Å; H168-L170 PolarHBondContact O-N 3.45Å; L170-H172 VanDerWaalsContact C-N 3.31Å; L170-H172 PolarHBondContact O-N 3.42Å; L170-L173 PolarHBondContact O-N 3Å; L170-I174 HydrophobicContact CD2-CD1 3.27Å; L170-I174 HydrophobicContact CD2-CG1 3.85Å; L170-I174 WeakPolarHBondContact O-CG1 3.11Å; L170-I174 PolarHBondContact O-N 2.86Å; L170-L199 HydrophobicContact CD1-CD1 4.12Å; L170-L199 HydrophobicContact CD2-CD1 3.23Å; L170-L199 HydrophobicContact CD2-CD2 3.7Å; L170-L199 HydrophobicContact CD2-CG 4.06Å; L170-L199 HydrophobicContact CG-CD1 4.27Å
171M89.6Confident88.1Confident32 Ų3248.1 Ų48.116%0.15829%0.291CS..Hα-helixtrans-56.2-44.6172-78.4-168.2-68.100111.9L87 A167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 4.22Å; A167-M171 PolarHBondContact O-N 3.1Å; H168-M171 PolarHBondContact O-N 2.73Å; M171-G175 PolarHBondContact O-N 3.14Å; M171-L199 HydrophobicContact CB-CD2 4.37Å; M171-L199 HydrophobicContact CG-CD2 3.38Å; M171-T200 HydrophobicContact SD-CG2 3.98Å; M171-E203 VanDerWaalsContact CE-CD 3.42Å; M171-E203 WeakPolarHBondContact CE-OE1 3.31Å; M171-E203 WeakPolarHBondContact CE-OE2 3.11Å; M171-E203 WeakPolarHBondContact CG-OE2 3.49Å
172H89Confident88.2Confident90 Ų9050.6 Ų50.642%0.41731%0.308SS..Hα-helixtrans-67.3-41.3179.2-170.3-60.3000112.1L5 H168 L169 L170 G175 S176L5-H172 VanDerWaalsContact CD2-CE1 3.42Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.29Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.48Å; H168-H172 WeakPolarHBondContact O-CB 3.45Å; H168-H172 PolarHBondContact O-N 3.01Å; L169-H172 PolarHBondContact O-N 3.47Å; L170-H172 VanDerWaalsContact C-N 3.31Å; L170-H172 PolarHBondContact O-N 3.42Å; H172-G175 PolarHBondContact O-N 2.83Å; H172-S176 WeakPolarHBondContact O-CB 3.23Å; H172-S176 PolarHBondContact O-N 3.4Å; H172-S176 PolarHBondContact O-OG 3.34Å
173L89.8Confident88.4Confident92 Ų9254.2 Ų54.248%0.48233%0.326SS..Hα-helixtrans-63.8-48.2177.9-74171.3000111.3L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 4.23Å; L5-L173 HydrophobicContact CD2-CD2 4.35Å; L169-L173 WeakPolarHBondContact O-CB 3.22Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.31Å; L169-L173 PolarHBondContact O-N 3.48Å; L170-L173 PolarHBondContact O-N 3Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 3.45Å; L173-S176 PolarHBondContact O-N 2.98Å; L173-S176 PolarHBondContact O-OG 3.18Å; L173-A177 WeakPolarHBondContact O-CB 3.12Å; L173-A177 PolarHBondContact O-N 3.49Å
174I91.1Very high88.4Confident33 Ų3356.3 Ų56.317%0.16934%0.336CS..Hα-helixtrans-64-41.1176.4-65.9-177.3000110.5L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.27Å; L170-I174 HydrophobicContact CD2-CG1 3.85Å; L170-I174 WeakPolarHBondContact O-CG1 3.11Å; L170-I174 PolarHBondContact O-N 2.86Å; I174-S176 VanDerWaalsContact C-N 3.32Å; I174-S176 PolarHBondContact O-N 3.14Å; I174-A177 CarbonylContact O-C 3.59Å; I174-A177 WeakPolarHBondContact O-CB 3.31Å; I174-A177 PolarHBondContact O-N 2.95Å; I174-A177 VanDerWaalsContact O-N 3.13Å; I174-T178 HydrophobicContact CG2-CG2 4.35Å; I174-T178 WeakPolarHBondContact O-CG2 3.05Å; I174-T178 PolarHBondContact O-N 3.47Å; I174-T178 PolarHBondContact O-OG1 2.98Å; I174-I192 HydrophobicContact CG2-CG2 3.84Å; I174-I195 HydrophobicContact CD1-CG2 4.16Å; I174-L196 HydrophobicContact CB-CD1 4.2Å; I174-L196 HydrophobicContact CG2-CB 3.92Å; I174-L196 HydrophobicContact CG2-CD1 3.94Å; I174-L196 HydrophobicContact CG2-CG 4.47Å; I174-L199 HydrophobicContact CD1-CD1 4.41Å
175G89.9Confident88.5Confident24 Ų2460.1 Ų60.125%0.24736%0.357CS..Hα-helixtrans-61.8-36.6175.600000113.4M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 3.14Å; H172-G175 PolarHBondContact O-N 2.83Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 3.45Å; G175-T178 WeakPolarHBondContact CA-OG1 3.49Å; G175-T178 PolarHBondContact O-OG1 3.36Å; G175-L179 PolarHBondContact O-N 2.87Å
176S88.8Confident88.5Confident59 Ų5965.4 Ų65.441%0.41338%0.383SS..Hα-helixtrans-70.7-35.3173.671.90000112.1H172 L173 I174 L179 A180H172-S176 WeakPolarHBondContact O-CB 3.23Å; H172-S176 PolarHBondContact O-N 3.4Å; H172-S176 PolarHBondContact O-OG 3.34Å; L173-S176 PolarHBondContact O-N 2.98Å; L173-S176 PolarHBondContact O-OG 3.18Å; I174-S176 VanDerWaalsContact C-N 3.32Å; I174-S176 PolarHBondContact O-N 3.14Å; S176-L179 PolarHBondContact O-N 3.38Å; S176-A180 WeakPolarHBondContact O-CB 3Å; S176-A180 PolarHBondContact O-N 3.31Å
177A88.4Confident88.6Confident40 Ų4067.2 Ų67.233%0.33139%0.39SS..Hα-helixtrans-69.5-40.5176.100000112.2L173 I174 L179 A180 M181L173-A177 WeakPolarHBondContact O-CB 3.12Å; L173-A177 PolarHBondContact O-N 3.49Å; I174-A177 CarbonylContact O-C 3.59Å; I174-A177 WeakPolarHBondContact O-CB 3.31Å; I174-A177 PolarHBondContact O-N 2.95Å; I174-A177 VanDerWaalsContact O-N 3.13Å; A177-L179 VanDerWaalsContact C-N 3.32Å; A177-L179 PolarHBondContact O-N 3.44Å; A177-A180 PolarHBondContact O-N 2.6Å; A177-M181 WeakPolarHBondContact O-CB 3.34Å; A177-M181 WeakPolarHBondContact O-CG 3.45Å; A177-M181 PolarHBondContact O-N 3.3Å
178T90.7Very high88.7Confident18 Ų1868 Ų6811%0.1140%0.395CS..Hα-helixtrans-61.3-43.1173.756.10000110.8I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.35Å; I174-T178 WeakPolarHBondContact O-CG2 3.05Å; I174-T178 PolarHBondContact O-N 3.47Å; I174-T178 PolarHBondContact O-OG1 2.98Å; G175-T178 WeakPolarHBondContact CA-OG1 3.49Å; G175-T178 PolarHBondContact O-OG1 3.36Å; T178-M181 PolarHBondContact O-N 3.14Å; T178-S182 WeakPolarHBondContact O-CB 3.45Å; T178-S182 PolarHBondContact O-N 3.33Å; T178-I192 HydrophobicContact CG2-CB 3.88Å; T178-I192 HydrophobicContact CG2-CG2 3.37Å
179L89.8Confident88.9Confident126 Ų12667.8 Ų67.866%0.6640%0.395SS*.Hα-helixtrans-64.9-43.1178.4-164.8144.1000111.8G175 S176 A177 S182G175-L179 PolarHBondContact O-N 2.87Å; S176-L179 PolarHBondContact O-N 3.38Å; A177-L179 VanDerWaalsContact C-N 3.32Å; A177-L179 PolarHBondContact O-N 3.44Å; L179-S182 PolarHBondContact O-N 3.29Å; L179-S182 PolarHBondContact O-OG 2.87Å
180A88.6Confident89.1Confident48 Ų4871.5 Ų71.540%0.39742%0.415SS..Hα-helixtrans-63.4-45.4174.900000112.3S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3Å; S176-A180 PolarHBondContact O-N 3.31Å; A177-A180 PolarHBondContact O-N 2.6Å; A180-S182 VanDerWaalsContact C-N 3.28Å; A180-S182 PolarHBondContact O-N 3.04Å; A180-T183 PolarHBondContact O-N 2.77Å; A180-T183 PolarHBondContact O-OG1 3.38Å
181M87.6Confident89.3Confident62 Ų6273 Ų7331%0.30542%0.422SS..Hα-helixtrans-68.9-26.1-179-68.8-65.1110.300113.2A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.34Å; A177-M181 WeakPolarHBondContact O-CG 3.45Å; A177-M181 PolarHBondContact O-N 3.3Å; T178-M181 PolarHBondContact O-N 3.14Å; M181-T183 PolarHBondContact O-N 3.43Å; M181-T183 VanDerWaalsContact O-N 3.14Å; M181-I184 HydrophobicContact CE-CD1 3.57Å; M181-I184 PolarHBondContact O-N 2.92Å; M181-I184 HydrophobicContact SD-CD1 4.26Å; M181-N185 PolarHBondContact O-N 3.34Å; M181-N185 VanDerWaalsContact O-N 3.07Å; M181-T189 PolarHBondContact O-OG1 2.86Å; M181-T189 VanDerWaalsContact O-OG1 3.11Å; M181-I192 HydrophobicContact CB-CD1 4.19Å; M181-I192 HydrophobicContact CG-CD1 3.65Å
182S88.1Confident89.4Confident65 Ų6573.5 Ų73.546%0.45543%0.425SS..Hα-helixtrans-56.9-29.1176.8770000113.1T178 L179 A180 T189T178-S182 WeakPolarHBondContact O-CB 3.45Å; T178-S182 PolarHBondContact O-N 3.33Å; L179-S182 PolarHBondContact O-N 3.29Å; L179-S182 PolarHBondContact O-OG 2.87Å; A180-S182 VanDerWaalsContact C-N 3.28Å; A180-S182 PolarHBondContact O-N 3.04Å; S182-T189 VanDerWaalsContact CA-OG1 3.29Å; S182-T189 WeakPolarHBondContact CA-OG1 2.99Å; S182-T189 PolarHBondContact N-OG1 3.01Å
183T87.7Confident89.6Confident118 Ų11874.3 Ų74.372%0.72443%0.427SS*.THydrogen-bonded Turntrans-81.7-19.4178.966.30000113.7A180 M181A180-T183 PolarHBondContact O-N 2.77Å; A180-T183 PolarHBondContact O-OG1 3.38Å; M181-T183 PolarHBondContact O-N 3.43Å; M181-T183 VanDerWaalsContact O-N 3.14Å
184I88.2Confident89.8Confident105 Ų10573.5 Ų73.554%0.53843%0.426SS..THydrogen-bonded Turntrans-98.5-60.2-173.4-55.5177000110.3M181M181-I184 HydrophobicContact CE-CD1 3.57Å; M181-I184 PolarHBondContact O-N 2.92Å; M181-I184 HydrophobicContact SD-CD1 4.26Å
185N87.9Confident89.9Confident94 Ų9475.9 Ų75.950%0.50344%0.438SS..  trans-146.5125.6-173.2-84.1-22.1000111.3M181 S188 T189M181-N185 PolarHBondContact O-N 3.34Å; M181-N185 VanDerWaalsContact O-N 3.07Å; N185-S188 VanDerWaalsContact CB-OG 3.31Å; N185-S188 WeakPolarHBondContact CB-OG 3.45Å; N185-S188 PolarHBondContact O-OG 3.4Å; N185-S188 VanDerWaalsContact O-OG 3.04Å; N185-T189 PolarHBondContact O-N 2.95Å; N185-T189 PolarHBondContact O-OG1 3.3Å
186L87.3Confident90Very high147 Ų14776.2 Ų76.277%0.7744%0.435SS*.Hα-helixtrans-64.4-43.4177.9-153.6109.3000114.4T189 L190L186-T189 WeakPolarHBondContact O-CB 3.42Å; L186-T189 PolarHBondContact O-N 2.99Å; L186-L190 PolarHBondContact O-N 3.13Å
187P89.1Confident90.2Very high93 Ų9377.1 Ų77.160%0.60443%0.434SS*.Hα-helixtrans-69.7-36.1-17625.4-33.2000113.1T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.33Å; P187-L190 PolarHBondContact O-N 2.97Å; P187-I191 PolarHBondContact O-N 2.97Å
188S87.5Confident90.5Very high38 Ų3880.9 Ų80.927%0.26645%0.448SS..Hα-helixtrans-68-35174.653.30000111.9N185 L190 I191 I192N185-S188 VanDerWaalsContact CB-OG 3.31Å; N185-S188 WeakPolarHBondContact CB-OG 3.45Å; N185-S188 PolarHBondContact O-OG 3.4Å; N185-S188 VanDerWaalsContact O-OG 3.04Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 3.2Å; S188-I191 PolarHBondContact O-N 3.38Å; S188-I192 WeakPolarHBondContact O-CG1 3.33Å; S188-I192 PolarHBondContact O-N 2.95Å; S188-I192 VanDerWaalsContact O-N 3.12Å
189T91.7Very high90.6Very high25 Ų2581.5 Ų81.515%0.15345%0.45CS..Hα-helixtrans-61.1-41.8175-58.40000111.5M181 S182 N185 L186 P187 I191 I192 F193M181-T189 PolarHBondContact O-OG1 2.86Å; M181-T189 VanDerWaalsContact O-OG1 3.11Å; S182-T189 VanDerWaalsContact CA-OG1 3.29Å; S182-T189 WeakPolarHBondContact CA-OG1 2.99Å; S182-T189 PolarHBondContact N-OG1 3.01Å; N185-T189 PolarHBondContact O-N 2.95Å; N185-T189 PolarHBondContact O-OG1 3.3Å; L186-T189 WeakPolarHBondContact O-CB 3.42Å; L186-T189 PolarHBondContact O-N 2.99Å; P187-T189 VanDerWaalsContact C-N 3.33Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.21Å; T189-I192 PolarHBondContact O-N 3.43Å; T189-F193 VanDerWaalsContact O-CB 3.27Å; T189-F193 WeakPolarHBondContact O-CB 3.06Å; T189-F193 PolarHBondContact O-N 3.41Å
190L91.3Very high90.6Very high119 Ų11978 Ų7862%0.62343%0.434SS*.Hα-helixtrans-59.1-43.1176.8-163.593.9000111.5L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 3.13Å; P187-L190 PolarHBondContact O-N 2.97Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 3.2Å; L190-F193 PolarHBondContact O-N 2.84Å; L190-T194 WeakPolarHBondContact O-CG2 3.24Å; L190-T194 PolarHBondContact O-N 2.75Å; L190-T194 PolarHBondContact O-OG1 3.42Å
191I92.7Very high90.8Very high105 Ų10580.6 Ų80.654%0.53844%0.44SS..Hα-helixtrans-64.2-44.4179.4-62.4166.4000111.2P187 S188 T189 F193 T194 I195P187-I191 PolarHBondContact O-N 2.97Å; S188-I191 PolarHBondContact O-N 3.38Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.21Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 2.95Å; I191-T194 PolarHBondContact O-N 3.46Å; I191-T194 PolarHBondContact O-OG1 3.25Å; I191-I195 HydrophobicContact CG2-CD1 4.33Å; I191-I195 WeakPolarHBondContact O-CG1 3.22Å; I191-I195 PolarHBondContact O-N 2.87Å
192I92.9Very high90.9Very high42 Ų4282.8 Ų82.822%0.21545%0.453CS..Hα-helixtrans-70.6-33.6180-56.9167.3000110.2I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.84Å; T178-I192 HydrophobicContact CG2-CB 3.88Å; T178-I192 HydrophobicContact CG2-CG2 3.37Å; M181-I192 HydrophobicContact CB-CD1 4.19Å; M181-I192 HydrophobicContact CG-CD1 3.65Å; S188-I192 WeakPolarHBondContact O-CG1 3.33Å; S188-I192 PolarHBondContact O-N 2.95Å; S188-I192 VanDerWaalsContact O-N 3.12Å; T189-I192 PolarHBondContact O-N 3.43Å; I192-I195 WeakPolarHBondContact O-CB 3.36Å; I192-I195 PolarHBondContact O-N 3.41Å; I192-L196 PolarHBondContact O-N 3.48Å
193F92.3Very high91Very high108 Ų10880.3 Ų80.347%0.47443%0.434SS..Hα-helixtrans-66.3-39.3175.4-173.8-105.6000112.6T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.27Å; T189-F193 WeakPolarHBondContact O-CB 3.06Å; T189-F193 PolarHBondContact O-N 3.41Å; L190-F193 PolarHBondContact O-N 2.84Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 2.95Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.4Å; F193-L196 HydrophobicContact CD2-CD2 4.46Å; F193-L196 WeakPolarHBondContact O-CB 3.15Å; F193-L196 PolarHBondContact O-N 3.34Å; F193-I197 HydrophobicContact CD1-CD1 3.86Å; F193-I197 HydrophobicContact CE1-CD1 3.5Å; F193-I197 VanDerWaalsContact CE1-CD1 3.5Å; F193-I197 HydrophobicContact CE1-CG1 4.27Å; F193-I197 HydrophobicContact CZ-CD1 4.11Å; F193-I197 HydrophobicContact CZ-CG1 4.47Å; F193-I197 PolarHBondContact O-N 3.2Å; F193-I197 VanDerWaalsContact O-N 3.07Å
194T93.3Very high91.1Very high75 Ų7578.7 Ų78.746%0.4642%0.42SS..Hα-helixtrans-64.9-37.1173.457.30000111.8L190 I191 L196 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.24Å; L190-T194 PolarHBondContact O-N 2.75Å; L190-T194 PolarHBondContact O-OG1 3.42Å; I191-T194 PolarHBondContact O-N 3.46Å; I191-T194 PolarHBondContact O-OG1 3.25Å; T194-L196 VanDerWaalsContact C-N 3.35Å; T194-I197 PolarHBondContact O-N 3.18Å; T194-L198 PolarHBondContact O-N 3.31Å
195I93.8Very high91.3Very high82 Ų8275.8 Ų75.842%0.42141%0.412SS..Hα-helixtrans-61.7-42.9172.9-66166.8000110.8I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.16Å; I191-I195 HydrophobicContact CG2-CD1 4.33Å; I191-I195 WeakPolarHBondContact O-CG1 3.22Å; I191-I195 PolarHBondContact O-N 2.87Å; I192-I195 WeakPolarHBondContact O-CB 3.36Å; I192-I195 PolarHBondContact O-N 3.41Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.4Å; I195-I197 PolarHBondContact O-N 3.05Å; I195-L198 PolarHBondContact O-N 3.17Å; I195-L199 WeakPolarHBondContact O-CB 3.47Å; I195-L199 PolarHBondContact O-N 2.89Å
196L92.9Very high91.4Very high32 Ų3273.8 Ų73.817%0.16840%0.403CS..Hα-helixtrans-58.7-46.8176.4-177.566.6000111.4I174 I192 F193 T194 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.2Å; I174-L196 HydrophobicContact CG2-CB 3.92Å; I174-L196 HydrophobicContact CG2-CD1 3.94Å; I174-L196 HydrophobicContact CG2-CG 4.47Å; I192-L196 PolarHBondContact O-N 3.48Å; F193-L196 HydrophobicContact CD2-CD2 4.46Å; F193-L196 WeakPolarHBondContact O-CB 3.15Å; F193-L196 PolarHBondContact O-N 3.34Å; T194-L196 VanDerWaalsContact C-N 3.35Å; L196-L198 PolarHBondContact O-N 3.28Å; L196-L199 WeakPolarHBondContact O-CB 3.45Å; L196-L199 PolarHBondContact O-N 2.89Å; L196-T200 WeakPolarHBondContact O-CG2 3.47Å; L196-T200 PolarHBondContact O-N 3.41Å
197I92.3Very high91.5Very high77 Ų7767.2 Ų67.240%0.39537%0.37SS..Hα-helixtrans-59.5-47.7176.8-67.2166.7000110.6F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.86Å; F193-I197 HydrophobicContact CE1-CD1 3.5Å; F193-I197 VanDerWaalsContact CE1-CD1 3.5Å; F193-I197 HydrophobicContact CE1-CG1 4.27Å; F193-I197 HydrophobicContact CZ-CD1 4.11Å; F193-I197 HydrophobicContact CZ-CG1 4.47Å; F193-I197 PolarHBondContact O-N 3.2Å; F193-I197 VanDerWaalsContact O-N 3.07Å; T194-I197 PolarHBondContact O-N 3.18Å; I195-I197 PolarHBondContact O-N 3.05Å; I197-L199 VanDerWaalsContact C-N 3.25Å; I197-L199 PolarHBondContact O-N 3.43Å; I197-T200 PolarHBondContact O-N 3.13Å; I197-T200 PolarHBondContact O-OG1 3Å; I197-I201 HydrophobicContact CG2-CD1 4.13Å; I197-I201 WeakPolarHBondContact O-CG1 3.5Å; I197-I201 PolarHBondContact O-N 3.24Å; I197-I201 VanDerWaalsContact O-N 3.15Å
198L94.2Very high91.5Very high120 Ų12068.2 Ų68.263%0.62837%0.369SS*.Hα-helixtrans-59.8-39.4179.2-175.863.7000111.7T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 3.31Å; I195-L198 PolarHBondContact O-N 3.17Å; L196-L198 PolarHBondContact O-N 3.28Å; L198-I201 PolarHBondContact O-N 2.94Å; L198-L202 PolarHBondContact O-N 3.4Å
199L92.6Very high91.6Very high31 Ų3171 Ų7116%0.16238%0.38CS..Hα-helixtrans-63.9-43.7177-165.8111.2000112.1L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CD1-CD1 4.12Å; L170-L199 HydrophobicContact CD2-CD1 3.23Å; L170-L199 HydrophobicContact CD2-CD2 3.7Å; L170-L199 HydrophobicContact CD2-CG 4.06Å; L170-L199 HydrophobicContact CG-CD1 4.27Å; M171-L199 HydrophobicContact CB-CD2 4.37Å; M171-L199 HydrophobicContact CG-CD2 3.38Å; I174-L199 HydrophobicContact CD1-CD1 4.41Å; I195-L199 WeakPolarHBondContact O-CB 3.47Å; I195-L199 PolarHBondContact O-N 2.89Å; L196-L199 WeakPolarHBondContact O-CB 3.45Å; L196-L199 PolarHBondContact O-N 2.89Å; I197-L199 VanDerWaalsContact C-N 3.25Å; I197-L199 PolarHBondContact O-N 3.43Å; L199-I201 VanDerWaalsContact C-N 3.27Å; L199-I201 PolarHBondContact O-N 2.94Å; L199-L202 WeakPolarHBondContact O-CB 3.46Å; L199-L202 PolarHBondContact O-N 2.97Å; L199-L202 VanDerWaalsContact O-N 3.17Å; L199-E203 WeakPolarHBondContact O-CB 3.35Å; L199-E203 PolarHBondContact O-N 3.04Å
200T90.8Very high91.5Very high52 Ų5270.3 Ų70.332%0.31938%0.375SS..Hα-helixtrans-60.8-37.9177.161.80000112.1M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.98Å; L196-T200 WeakPolarHBondContact O-CG2 3.47Å; L196-T200 PolarHBondContact O-N 3.41Å; I197-T200 PolarHBondContact O-N 3.13Å; I197-T200 PolarHBondContact O-OG1 3Å; T200-E203 PolarHBondContact O-N 3.09Å; T200-I204 VanDerWaalsContact O-CG1 3.31Å; T200-I204 WeakPolarHBondContact O-CG1 3.46Å; T200-I204 PolarHBondContact O-N 2.65Å
201I92Very high91.4Very high103 Ų10364.7 Ų64.753%0.52835%0.346SS..Hα-helixtrans-65.7-44.5176.5-65.4167.7000110.4I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.13Å; I197-I201 WeakPolarHBondContact O-CG1 3.5Å; I197-I201 PolarHBondContact O-N 3.24Å; I197-I201 VanDerWaalsContact O-N 3.15Å; L198-I201 PolarHBondContact O-N 2.94Å; L199-I201 VanDerWaalsContact C-N 3.27Å; L199-I201 PolarHBondContact O-N 2.94Å; I201-E203 VanDerWaalsContact C-N 3.26Å; I201-E203 PolarHBondContact O-N 2.91Å; I201-I204 PolarHBondContact O-N 3.45Å; I201-A205 PolarHBondContact O-N 2.83Å
202L90.9Very high91.3Very high108 Ų10864.6 Ų64.657%0.56534%0.34SS*.Hα-helixtrans-58.7-42.1175.7178.167000110.9L198 L199 A205 V206L198-L202 PolarHBondContact O-N 3.4Å; L199-L202 WeakPolarHBondContact O-CB 3.46Å; L199-L202 PolarHBondContact O-N 2.97Å; L199-L202 VanDerWaalsContact O-N 3.17Å; L202-A205 WeakPolarHBondContact O-CB 3.49Å; L202-A205 PolarHBondContact O-N 3.19Å; L202-V206 HydrophobicContact CD1-CG2 4.37Å; L202-V206 HydrophobicContact CG-CG2 4.36Å; L202-V206 WeakPolarHBondContact O-CG2 3.31Å; L202-V206 PolarHBondContact O-N 3.35Å
203E89.6Confident91.1Very high12 Ų1264.6 Ų64.66%0.05634%0.342CS..Hα-helixtrans-70-37.2-176.2-156.2173.8161.700112.7L87 A167 H168 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD2-CB 4.24Å; L87-E203 HydrophobicContact CD2-CG 3.56Å; L87-E203 WeakPolarHBondContact CD2-OE1 3.38Å; A167-E203 HydrophobicContact CB-CG 3.58Å; A167-E203 WeakPolarHBondContact CB-OE1 3.49Å; H168-E203 IonicContact CD2-OE1 3.97Å; M171-E203 VanDerWaalsContact CE-CD 3.42Å; M171-E203 WeakPolarHBondContact CE-OE1 3.31Å; M171-E203 WeakPolarHBondContact CE-OE2 3.11Å; M171-E203 WeakPolarHBondContact CG-OE2 3.49Å; L199-E203 WeakPolarHBondContact O-CB 3.35Å; L199-E203 PolarHBondContact O-N 3.04Å; T200-E203 PolarHBondContact O-N 3.09Å; I201-E203 VanDerWaalsContact C-N 3.26Å; I201-E203 PolarHBondContact O-N 2.91Å; E203-A205 VanDerWaalsContact C-N 3.28Å; E203-A205 PolarHBondContact O-N 2.76Å; E203-V206 PolarHBondContact O-N 3.38Å; E203-A207 VanDerWaalsContact O-CB 3.31Å; E203-A207 WeakPolarHBondContact O-CB 3.27Å; E203-A207 PolarHBondContact O-N 3.4Å
204I90.4Very high90.9Very high84 Ų8459.5 Ų59.543%0.43132%0.319SS..Hα-helixtrans-58.5-43.1170.5-66.9164.9000110.4L84 L87 T200 I201 L208L84-I204 HydrophobicContact CD1-CG2 4.28Å; L87-I204 HydrophobicContact CD1-CB 4.26Å; L87-I204 HydrophobicContact CD1-CG1 3.67Å; T200-I204 VanDerWaalsContact O-CG1 3.31Å; T200-I204 WeakPolarHBondContact O-CG1 3.46Å; T200-I204 PolarHBondContact O-N 2.65Å; I201-I204 PolarHBondContact O-N 3.45Å; I204-L208 PolarHBondContact O-N 3.39Å
205A91.2Very high90.7Very high45 Ų4555.9 Ų55.937%0.37230%0.297SS..Hα-helixtrans-65.2-46.117700000111.7I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 2.83Å; L202-A205 WeakPolarHBondContact O-CB 3.49Å; L202-A205 PolarHBondContact O-N 3.19Å; E203-A205 VanDerWaalsContact C-N 3.28Å; E203-A205 PolarHBondContact O-N 2.76Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 2.9Å; A205-L208 PolarHBondContact O-N 3.48Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.41Å; A205-I209 PolarHBondContact O-N 3.47Å
206V90.8Very high90.4Very high51 Ų5155 Ų5531%0.30929%0.293SS..Hα-helixtrans-62.2-40.7178.5172.70000111.3N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.32Å; L202-V206 HydrophobicContact CD1-CG2 4.37Å; L202-V206 HydrophobicContact CG-CG2 4.36Å; L202-V206 WeakPolarHBondContact O-CG2 3.31Å; L202-V206 PolarHBondContact O-N 3.35Å; E203-V206 PolarHBondContact O-N 3.38Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 2.94Å; V206-I209 PolarHBondContact O-N 3.07Å; V206-Q210 WeakPolarHBondContact O-CB 3.45Å; V206-Q210 PolarHBondContact O-N 3.35Å
207A88.8Confident90Very high9 Ų955.2 Ų55.27%0.07429%0.294CS..Hα-helixtrans-58.6-41.7177.900000112.6N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.94Å; L87-A207 HydrophobicContact CD1-CB 4.1Å; E203-A207 VanDerWaalsContact O-CB 3.31Å; E203-A207 WeakPolarHBondContact O-CB 3.27Å; E203-A207 PolarHBondContact O-N 3.4Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 2.9Å; A207-A211 PolarHBondContact O-N 3.47Å
208L89.2Confident89.7Confident114 Ų11451.9 Ų51.960%0.59728%0.277SS*.Hα-helixtrans-74.7-45.2178.6-167.7153000111.7I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 3.39Å; A205-L208 PolarHBondContact O-N 3.48Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 2.94Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 3.47Å; L208-A211 PolarHBondContact O-N 3.02Å; L208-Y212 PolarHBondContact O-N 2.82Å; L208-Y212 VanDerWaalsContact O-N 3.14Å
209I90.6Very high89.3Confident97 Ų9746.6 Ų46.650%0.49725%0.25SS..Hα-helixtrans-59.8-40.4177.5-68.6166.5000110.3A205 V206 A211 Y212 V213A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.41Å; A205-I209 PolarHBondContact O-N 3.47Å; V206-I209 PolarHBondContact O-N 3.07Å; I209-A211 PolarHBondContact O-N 3.15Å; I209-Y212 WeakPolarHBondContact O-CB 3.24Å; I209-Y212 PolarHBondContact O-N 3.34Å; I209-V213 HydrophobicContact CG2-CG2 4.04Å; I209-V213 WeakPolarHBondContact O-CG2 3.38Å; I209-V213 PolarHBondContact O-N 3.19Å
210Q88.8Confident88.9Confident11 Ų1148.7 Ų48.75%0.05126%0.261CS..Hα-helixtrans-65.5-38.9-178.7-174.363.29.500112.2L160 V206 L208 Y212 F214L160-Q210 HydrophobicContact CB-CG 4.19Å; L160-Q210 HydrophobicContact CD1-CG 3.7Å; L160-Q210 HydrophobicContact CG-CG 3.77Å; L160-Q210 VanDerWaalsContact N-NE2 3.13Å; V206-Q210 WeakPolarHBondContact O-CB 3.45Å; V206-Q210 PolarHBondContact O-N 3.35Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 3.47Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Q210-F214 VanDerWaalsContact O-CB 3.32Å; Q210-F214 WeakPolarHBondContact O-CB 3.42Å; Q210-F214 PolarHBondContact O-N 3.23Å
211A89.7Confident88.4Confident1 Ų147.1 Ų47.11%0.00825%0.25CC..Hα-helixtrans-63.2-40.4173.100000111.8I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.4Å; I79-A211 HydrophobicContact CB-CB 4.04Å; I79-A211 HydrophobicContact CG2-CB 3.73Å; A80-A211 HydrophobicContact CB-CB 3.89Å; A207-A211 PolarHBondContact O-N 3.47Å; L208-A211 PolarHBondContact O-N 3.02Å; I209-A211 PolarHBondContact O-N 3.15Å; A211-T215 WeakPolarHBondContact O-CG2 3.43Å; A211-T215 PolarHBondContact O-N 2.91Å; A211-T215 PolarHBondContact O-OG1 3.05Å
212Y89.9Confident87.9Confident103 Ų10342.3 Ų42.340%0.40423%0.225SC..Hα-helixtrans-65.4-49.9176.3176.5-101.7000112.5M57 I76 L208 I209 Q210 F214 T215 L216M57-Y212 HydrophobicContact CE-CD2 4.48Å; I76-Y212 HydrophobicContact CD1-CD2 4.22Å; L208-Y212 PolarHBondContact O-N 2.82Å; L208-Y212 VanDerWaalsContact O-N 3.14Å; I209-Y212 WeakPolarHBondContact O-CB 3.24Å; I209-Y212 PolarHBondContact O-N 3.34Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 3.32Å; Y212-T215 PolarHBondContact O-N 3.28Å; Y212-T215 PolarHBondContact O-OG1 3Å; Y212-L216 HydrophobicContact CE1-CD1 3.67Å; Y212-L216 HydrophobicContact CE2-CD1 4.42Å; Y212-L216 VanDerWaalsContact O-CB 3.29Å; Y212-L216 WeakPolarHBondContact O-CB 3.41Å; Y212-L216 PolarHBondContact O-N 2.67Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.34Å
213V89.8Confident87.5Confident42 Ų4241 Ų4126%0.25522%0.216SC..Hα-helixtrans-62.6-37.9179.41730000111.2I209 L217I209-V213 HydrophobicContact CG2-CG2 4.04Å; I209-V213 WeakPolarHBondContact O-CG2 3.38Å; I209-V213 PolarHBondContact O-N 3.19Å; V213-L217 HydrophobicContact CG1-CD1 3.92Å; V213-L217 WeakPolarHBondContact O-CG 3.47Å; V213-L217 PolarHBondContact O-N 2.98Å; V213-L217 VanDerWaalsContact O-N 3.08Å
214F87.1Confident86.9Confident0 Ų043.9 Ų43.90%023%0.232CC..Hα-helixtrans-57.5-53.1176.1-172.3-80000111.3L75 I79 A105 L108 L156 L160 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.08Å; L75-F214 HydrophobicContact CD2-CD1 3.97Å; L75-F214 HydrophobicContact CD2-CE1 3.82Å; L75-F214 HydrophobicContact CG-CD1 4.3Å; L75-F214 HydrophobicContact CG-CE1 4.19Å; I79-F214 HydrophobicContact CD1-CB 4.23Å; I79-F214 HydrophobicContact CD1-CD1 3.35Å; I79-F214 HydrophobicContact CD1-CD2 4.29Å; I79-F214 HydrophobicContact CD1-CE1 3.7Å; I79-F214 HydrophobicContact CD1-CG 3.71Å; I79-F214 HydrophobicContact CD1-CZ 4.3Å; A105-F214 HydrophobicContact CB-CE2 4.35Å; A105-F214 HydrophobicContact CB-CZ 4.14Å; L108-F214 HydrophobicContact CD1-CE1 4.15Å; L156-F214 HydrophobicContact CD1-CD2 4.24Å; L156-F214 HydrophobicContact CD2-CD1 4.14Å; L156-F214 HydrophobicContact CD2-CD2 3.27Å; L156-F214 HydrophobicContact CD2-CE1 4.01Å; L156-F214 HydrophobicContact CD2-CE2 3.12Å; L156-F214 HydrophobicContact CD2-CG 3.79Å; L156-F214 HydrophobicContact CD2-CZ 3.52Å; L156-F214 HydrophobicContact CG-CD2 3.45Å; L156-F214 VanDerWaalsContact CG-CD2 3.45Å; L156-F214 HydrophobicContact CG-CE2 3.66Å; L156-F214 HydrophobicContact CG-CG 4.16Å; L160-F214 HydrophobicContact CD1-CD2 4.09Å; Q210-F214 VanDerWaalsContact O-CB 3.32Å; Q210-F214 WeakPolarHBondContact O-CB 3.42Å; Q210-F214 PolarHBondContact O-N 3.23Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 3.32Å; F214-L217 PolarHBondContact O-N 3.3Å; F214-V218 HydrophobicContact CD1-CG2 4.39Å; F214-V218 HydrophobicContact CE1-CG2 4.22Å; F214-V218 WeakPolarHBondContact O-CG2 3.19Å; F214-V218 PolarHBondContact O-N 2.96Å
215T88.9Confident86.1Confident0 Ų041.4 Ų41.40%022%0.219CC..Hα-helixtrans-72.3-34.5-176.652.10000113.2M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.29Å; L75-T215 HydrophobicContact CB-CG2 4.1Å; L75-T215 HydrophobicContact CD2-CG2 3.67Å; L75-T215 HydrophobicContact CG-CG2 3.75Å; I76-T215 HydrophobicContact CB-CG2 3.53Å; I76-T215 HydrophobicContact CG1-CG2 4.22Å; A211-T215 WeakPolarHBondContact O-CG2 3.43Å; A211-T215 PolarHBondContact O-N 2.91Å; A211-T215 PolarHBondContact O-OG1 3.05Å; Y212-T215 PolarHBondContact O-N 3.28Å; Y212-T215 PolarHBondContact O-OG1 3Å; T215-V218 PolarHBondContact O-N 3.14Å; T215-S219 VanDerWaalsContact O-CB 3.3Å; T215-S219 WeakPolarHBondContact O-CB 3.42Å; T215-S219 PolarHBondContact O-N 3.18Å
216L87.7Confident85.1Confident64 Ų6440.6 Ų40.634%0.33521%0.21SC..Hα-helixtrans-62.6-43174.6-175.6148000111.8Y212 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.67Å; Y212-L216 HydrophobicContact CE2-CD1 4.42Å; Y212-L216 VanDerWaalsContact O-CB 3.29Å; Y212-L216 WeakPolarHBondContact O-CB 3.41Å; Y212-L216 PolarHBondContact O-N 2.67Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.34Å; L216-S219 VanDerWaalsContact O-CB 3.28Å; L216-S219 WeakPolarHBondContact O-CB 3.45Å; L216-S219 PolarHBondContact O-N 2.79Å; L216-L220 WeakPolarHBondContact O-CB 3.42Å; L216-L220 PolarHBondContact O-N 3.48Å
217L85.9Confident84.8Confident36 Ų3640.1 Ų40.119%0.18821%0.205CC..Hα-helixtrans-65.2-42177.5-75.6167.3000111.5L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 3.94Å; L156-L217 HydrophobicContact CD1-CD1 3.34Å; L156-L217 HydrophobicContact CD1-CG 4.26Å; V213-L217 HydrophobicContact CG1-CD1 3.92Å; V213-L217 WeakPolarHBondContact O-CG 3.47Å; V213-L217 PolarHBondContact O-N 2.98Å; V213-L217 VanDerWaalsContact O-N 3.08Å; F214-L217 PolarHBondContact O-N 3.3Å; L217-S219 VanDerWaalsContact C-N 3.31Å; L217-S219 PolarHBondContact O-N 2.89Å; L217-L220 PolarHBondContact O-N 3.34Å; L217-Y221 HydrophobicContact CB-CE2 4.19Å; L217-Y221 WeakPolarHBondContact O-CD2 3.48Å; L217-Y221 WeakPolarHBondContact O-CE2 3.43Å; L217-Y221 PolarHBondContact O-N 3.32Å
218V85.1Confident84.6Confident6 Ų641.7 Ų41.74%0.03621%0.211CC..Hα-helixtrans-60.3-42.3173.3177.80000111.5L72 L108 L156 F214 T215 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.24Å; L72-V218 HydrophobicContact CD2-CG1 3.87Å; L108-V218 HydrophobicContact CB-CG1 4.38Å; L156-V218 HydrophobicContact CD2-CG2 4.46Å; F214-V218 HydrophobicContact CD1-CG2 4.39Å; F214-V218 HydrophobicContact CE1-CG2 4.22Å; F214-V218 WeakPolarHBondContact O-CG2 3.19Å; F214-V218 PolarHBondContact O-N 2.96Å; T215-V218 PolarHBondContact O-N 3.14Å; V218-Y221 PolarHBondContact O-N 3.07Å; V218-L222 PolarHBondContact O-N 3.11Å
219S86.1Confident84.3Confident10 Ų1037.7 Ų37.77%0.0719%0.19CC..Hα-helixtrans-59.1-45.1173.3146.50000111.9H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact CE1-OG 3.07Å; H61-S219 PolarHBondContact NE2-O 3.34Å; H61-S219 VanDerWaalsContact NE2-O 3.1Å; T215-S219 VanDerWaalsContact O-CB 3.3Å; T215-S219 WeakPolarHBondContact O-CB 3.42Å; T215-S219 PolarHBondContact O-N 3.18Å; L216-S219 VanDerWaalsContact O-CB 3.28Å; L216-S219 WeakPolarHBondContact O-CB 3.45Å; L216-S219 PolarHBondContact O-N 2.79Å; L217-S219 VanDerWaalsContact C-N 3.31Å; L217-S219 PolarHBondContact O-N 2.89Å; S219-L222 WeakPolarHBondContact O-CB 3.43Å; S219-L222 PolarHBondContact O-N 3.23Å; S219-H223 PolarHBondContact O-N 3.12Å
220L84.4Confident83.9Confident75 Ų7534.2 Ų34.239%0.39317%0.172SC..Hα-helixtrans-64.6-42.6179.4-171.4147.6000111.3L216 L217 L222 H223 D224L216-L220 WeakPolarHBondContact O-CB 3.42Å; L216-L220 PolarHBondContact O-N 3.48Å; L217-L220 PolarHBondContact O-N 3.34Å; L220-L222 VanDerWaalsContact C-N 3.26Å; L220-L222 PolarHBondContact O-N 3.31Å; L220-H223 WeakPolarHBondContact O-CB 3.43Å; L220-H223 PolarHBondContact O-N 3.25Å; L220-H223 VanDerWaalsContact O-N 3.08Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.44Å; L220-D224 PolarHBondContact O-N 3.41Å
221Y80.1Confident83.6Confident19 Ų1935.6 Ų35.68%0.07518%0.179CC..Hα-helixtrans-60.8-38.5173-61.2-50.4000112.4Q152 L217 V218 H223 N225Q152-Y221 WeakPolarHBondContact CB-OH 3.47Å; Q152-Y221 HydrophobicContact CG-CE1 4.38Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.35Å; Q152-Y221 PolarHBondContact NE2-OH 3.4Å; Q152-Y221 PolarHBondContact OE1-OH 3.48Å; L217-Y221 HydrophobicContact CB-CE2 4.19Å; L217-Y221 WeakPolarHBondContact O-CD2 3.48Å; L217-Y221 WeakPolarHBondContact O-CE2 3.43Å; L217-Y221 PolarHBondContact O-N 3.32Å; V218-Y221 PolarHBondContact O-N 3.07Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; Y221-N225 VanDerWaalsContact O-CB 3.29Å; Y221-N225 WeakPolarHBondContact O-CB 3.27Å; Y221-N225 PolarHBondContact O-N 3.5Å; Y221-N225 VanDerWaalsContact O-N 3.12Å; Y221-N225 PolarHBondContact O-ND2 3.18Å
222L81.3Confident83.2Confident1 Ų137.9 Ų37.91%0.00519%0.191CC..Hα-helixtrans-64.1-42.3175.9-169.374.2000110.5W68 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 3.68Å; W68-L222 HydrophobicContact CD2-CD2 4.07Å; W68-L222 HydrophobicContact CE3-CD1 3.84Å; W68-L222 HydrophobicContact CE3-CD2 4.32Å; W68-L222 HydrophobicContact CG-CD1 3.99Å; W68-L222 HydrophobicContact CG-CD2 3.65Å; W68-L222 HydrophobicContact CZ3-CD1 4.33Å; A112-L222 HydrophobicContact CB-CD1 4.5Å; M115-L222 HydrophobicContact SD-CD1 4.32Å; V218-L222 PolarHBondContact O-N 3.11Å; S219-L222 WeakPolarHBondContact O-CB 3.43Å; S219-L222 PolarHBondContact O-N 3.23Å; L220-L222 VanDerWaalsContact C-N 3.26Å; L220-L222 PolarHBondContact O-N 3.31Å; L222-N225 PolarHBondContact O-N 2.96Å; L222-T226 HydrophobicContact CD1-CG2 4.35Å; L222-T226 HydrophobicContact CG-CG2 4.25Å; L222-T226 WeakPolarHBondContact O-CB 3.29Å; L222-T226 WeakPolarHBondContact O-CG2 3.41Å; L222-T226 PolarHBondContact O-N 3.3Å; L222-T226 VanDerWaalsContact O-N 3.09Å; L222-T226 PolarHBondContact O-OG1 3.04Å
223H81.4Confident82.8Confident80 Ų8033.3 Ų33.337%0.3718%0.176SC..Hα-helixtrans-59.2-51.2176.5-174.985.1000111.7M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 3.41Å; M60-H223 PolarHBondContact O-ND1 2.81Å; S219-H223 PolarHBondContact O-N 3.12Å; L220-H223 WeakPolarHBondContact O-CB 3.43Å; L220-H223 PolarHBondContact O-N 3.25Å; L220-H223 VanDerWaalsContact O-N 3.08Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; H223-N225 PolarHBondContact O-N 3.38Å; H223-T226 PolarHBondContact O-N 3.46Å; H223-T226 VanDerWaalsContact O-N 3.13Å; H223-T226 PolarHBondContact O-OG1 3.18Å
224D78Confident82.2Confident74 Ų7432.6 Ų32.640%0.39617%0.17SC..Hα-helixtrans-61.3-30.6-179.4-64.8-16.3000112.6L220L220-D224 WeakPolarHBondContact CD2-OD2 3.44Å; L220-D224 PolarHBondContact O-N 3.41Å
225N73.9Confident81.8Confident32 Ų3235.3 Ų35.317%0.17118%0.184CC..Hα-helixtrans-91.7-3.3-179.6-74.7-66.5000114.4G116 S119 Y221 L222 H223G116-N225 VanDerWaalsContact CA-O 3.26Å; G116-N225 WeakPolarHBondContact CA-O 3.31Å; S119-N225 PolarHBondContact OG-O 3.07Å; Y221-N225 VanDerWaalsContact O-CB 3.29Å; Y221-N225 WeakPolarHBondContact O-CB 3.27Å; Y221-N225 PolarHBondContact O-N 3.5Å; Y221-N225 VanDerWaalsContact O-N 3.12Å; Y221-N225 PolarHBondContact O-ND2 3.18Å; L222-N225 PolarHBondContact O-N 2.96Å; H223-N225 PolarHBondContact O-N 3.38Å
226T69.2Low81.2Confident27 Ų2738.5 Ų38.517%0.16620%0.2CC..  trans-1100-179.157.50000114.4K120 L222 H223K120-T226 WeakPolarHBondContact CE-O 3.35Å; K120-T226 PolarHBondContact NZ-O 3.36Å; L222-T226 HydrophobicContact CD1-CG2 4.35Å; L222-T226 HydrophobicContact CG-CG2 4.25Å; L222-T226 WeakPolarHBondContact O-CB 3.29Å; L222-T226 WeakPolarHBondContact O-CG2 3.41Å; L222-T226 PolarHBondContact O-N 3.3Å; L222-T226 VanDerWaalsContact O-N 3.09Å; L222-T226 PolarHBondContact O-OG1 3.04Å; H223-T226 PolarHBondContact O-N 3.46Å; H223-T226 VanDerWaalsContact O-N 3.13Å; H223-T226 PolarHBondContact O-OG1 3.18Å

Retrieved 226 of 226 residues in 158.1 ms (Link to these results)

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