A0A023QR14_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A023QR14, 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
1M45Very low71.5Confident221 Ų221101.9 Ų101.9100%1.08955%0.548SS*.  01210-70.8158.198.500106E3M1-E3 PolarHBondContact O-N 3.37Å
2N46.7Very low72.4Confident162 Ų16296.7 Ų96.787%0.86652%0.524SS*.  trans-66.888.1168.3-101.814.2000106N4N2-N4 PolarHBondContact O-N 3.41Å; N2-N4 VanDerWaalsContact O-N 3.11Å
3E57.8Low73.5Confident128 Ų12896.8 Ų96.860%0.59853%0.53SS*.  trans-57.9117.5166.9-70.6-104.8142.800105.7M1 L5M1-E3 PolarHBondContact O-N 3.37Å; E3-L5 PolarHBondContact O-N 3.34Å
4N74.9Confident74.4Confident126 Ų12698 Ų9867%0.67453%0.534SS*.  trans-70.979178.7-74.7-26.6000108.3N2 F6 A7N2-N4 PolarHBondContact O-N 3.41Å; N2-N4 VanDerWaalsContact O-N 3.11Å; N4-F6 PolarHBondContact O-N 3.35Å; N4-A7 HydrophobicContact CB-CB 3.82Å; N4-A7 WeakPolarHBondContact O-CB 2.92Å; N4-A7 PolarHBondContact O-N 2.93Å
5L74.6Confident75.1Confident46 Ų46103.1 Ų103.124%0.24156%0.559CS.*THydrogen-bonded Turntrans-52.4-27.7175.5-63.8176.8000111.6E3 S8 L169 H172 L173E3-L5 PolarHBondContact O-N 3.34Å; L5-S8 PolarHBondContact O-OG 3.12Å; L5-L169 HydrophobicContact CB-CD2 4.3Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.46Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.1Å; L5-L173 HydrophobicContact CD1-CD2 3.86Å
6F80.6Confident75.6Confident135 Ų135101.1 Ų101.159%0.59257%0.569SS**THydrogen-bonded Turntrans-88.3-5.8179.8-63.9-77.5000114.8N4 S8 F9 L169N4-F6 PolarHBondContact O-N 3.35Å; F6-S8 PolarHBondContact O-N 3.35Å; F6-F9 AromaticContact CD1-CD2 3.94Å; F6-F9 HydrophobicContact CD1-CD2 3.94Å; F6-F9 HydrophobicContact CD1-CE2 4.33Å; F6-F9 PolarHBondContact O-N 3.04Å; F6-L169 HydrophobicContact CD1-CD2 4.49Å; F6-L169 HydrophobicContact CE1-CD1 4.13Å; F6-L169 HydrophobicContact CE1-CD2 4.13Å; F6-L169 HydrophobicContact CZ-CD2 4.47Å
7A79.3Confident76.1Confident53 Ų53102.6 Ų102.644%0.43858%0.575SS.*G310 helixtrans-60.2-32.8-178.600000112.3N4 F9 I10N4-A7 HydrophobicContact CB-CB 3.82Å; N4-A7 WeakPolarHBondContact O-CB 2.92Å; N4-A7 PolarHBondContact O-N 2.93Å; A7-F9 PolarHBondContact O-N 3.39Å; A7-I10 PolarHBondContact O-N 2.97Å
8S79Confident76.6Confident57 Ų57101.4 Ų101.440%0.39957%0.572SS.*G310 helixtrans-67-21176.756.30000113.9L5 F6 F92L5-S8 PolarHBondContact O-OG 3.12Å; F6-S8 PolarHBondContact O-N 3.35Å; S8-F92 WeakPolarHBondContact O-CD2 3.07Å
9F81.9Confident77.1Confident21 Ų2197.1 Ų97.19%0.09255%0.551CS.*G310 helixtrans-93.1-9.6178.2-58.2-67.3000113.1F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 AromaticContact CD1-CD2 3.94Å; F6-F9 HydrophobicContact CD1-CD2 3.94Å; F6-F9 HydrophobicContact CD1-CE2 4.33Å; F6-F9 PolarHBondContact O-N 3.04Å; A7-F9 PolarHBondContact O-N 3.39Å; F9-A11 PolarHBondContact O-N 3.26Å; F9-T96 HydrophobicContact CD1-CG2 3.83Å; F9-T96 HydrophobicContact CE1-CG2 3.71Å; F9-Q97 PolarHBondContact O-NE2 3.49Å; F9-T165 HydrophobicContact CD1-CG2 4.36Å; F9-T165 HydrophobicContact CE1-CG2 4.06Å; F9-H168 HydrophobicContact CE1-CB 4.1Å; F9-H168 HydrophobicContact CZ-CB 3.84Å; F9-L169 HydrophobicContact CE2-CD1 4.4Å; F9-L169 HydrophobicContact CE2-CD2 3.72Å; F9-L169 HydrophobicContact CE2-CG 3.76Å; F9-L169 HydrophobicContact CZ-CD2 4.36Å; F9-L169 HydrophobicContact CZ-CG 3.95Å
10I84.2Confident77.4Confident121 Ų12193.2 Ų93.262%0.62153%0.531SS*.SBendtrans-69.8129.2178-59.4174.1000108.4A7 P12A7-I10 PolarHBondContact O-N 2.97Å; I10-P12 WeakPolarHBondContact O-CD 3.4Å
11A82.7Confident77.8Confident51 Ų5192.7 Ų92.742%0.42153%0.529SS..PPolyproline II helixtrans-58.1122.2179.600000110.2F9 T13 F92F9-A11 PolarHBondContact O-N 3.26Å; A11-T13 PolarHBondContact O-N 3.46Å; A11-F92 HydrophobicContact CB-CZ 4.47Å
12P82.7Confident79.7Confident39 Ų3988.2 Ų88.225%0.25351%0.51SS..PPolyproline II helixtrans-72.1126.8-17426.9-33.2000110.3I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.4Å; P12-A19 HydrophobicContact CB-CB 4.24Å; P12-A19 HydrophobicContact CG-CB 4.33Å; P12-A19 WeakPolarHBondContact O-CB 3.46Å; P12-A19 PolarHBondContact O-N 3.42Å; P12-I23 HydrophobicContact CG-CD1 3.67Å; P12-F92 HydrophobicContact CG-CB 4.38Å; P12-F92 HydrophobicContact CG-CD1 4.11Å; P12-F92 HydrophobicContact CG-CD2 4.49Å; P12-F92 HydrophobicContact CG-CG 4.07Å
13T86.4Confident81.6Confident99 Ų9983 Ų8361%0.60748%0.481SS*.EExtended strand (participates in β ladder)trans-117.3121.717155.90000109.3A11 L17A11-T13 PolarHBondContact O-N 3.46Å; T13-L17 CarbonylContact C-O 3.54Å; T13-L17 VanDerWaalsContact CA-O 3.25Å; T13-L17 WeakPolarHBondContact CA-O 3.4Å
14I86.3Confident83.1Confident113 Ų11379.3 Ų79.358%0.57947%0.465SS*.EExtended strand (participates in β ladder)trans-105.7123.4174.7-63.5171.5000106.9G16 L17 A19I14-G16 PolarHBondContact O-N 3.1Å; I14-G16 VanDerWaalsContact O-N 3.13Å; I14-L17 PolarHBondContact N-O 3Å; I14-L17 PolarHBondContact O-N 3.17Å; I14-A19 HydrophobicContact CB-CB 4.48Å; I14-A19 HydrophobicContact CD1-CB 3.86Å; I14-A19 HydrophobicContact CG1-CB 3.94Å
15L84.9Confident83.6Confident175 Ų17578.9 Ų78.992%0.91646%0.462SS*.THydrogen-bonded Turntrans54.132.2178.6-73.1149.5000113.8L17L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 2.97Å
16G83.1Confident84.2Confident70 Ų7081.1 Ų81.172%0.72247%0.47SS*.THydrogen-bonded Turntrans79.7-2.1-177.600000115.3I14I14-G16 PolarHBondContact O-N 3.1Å; I14-G16 VanDerWaalsContact O-N 3.13Å
17L84.1Confident84.6Confident127 Ų12774.8 Ų74.867%0.66544%0.442SS*.EExtended strand (participates in β ladder)trans-94140.6172.8-66.5169.7000111T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.54Å; T13-L17 VanDerWaalsContact CA-O 3.25Å; T13-L17 WeakPolarHBondContact CA-O 3.4Å; I14-L17 PolarHBondContact N-O 3Å; I14-L17 PolarHBondContact O-N 3.17Å; L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 2.97Å; L17-A19 PolarHBondContact O-N 3.43Å
18P84.6Confident84.8Confident81 Ų8175.6 Ų75.653%0.52644%0.443SS..EExtended strand (participates in β ladder)trans-70.9102.8178.128.8-33.3000110.6A20 V21P18-A20 PolarHBondContact O-N 3.04Å; P18-V21 HydrophobicContact CG-CG2 4.3Å; P18-V21 PolarHBondContact O-N 3.26Å
19A85.2Confident85.2Confident20 Ų2079.3 Ų79.317%0.16546%0.458CS..THydrogen-bonded Turntrans-69.5-16.717700000112.3P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.24Å; P12-A19 HydrophobicContact CG-CB 4.33Å; P12-A19 WeakPolarHBondContact O-CB 3.46Å; P12-A19 PolarHBondContact O-N 3.42Å; I14-A19 HydrophobicContact CB-CB 4.48Å; I14-A19 HydrophobicContact CD1-CB 3.86Å; I14-A19 HydrophobicContact CG1-CB 3.94Å; L17-A19 PolarHBondContact O-N 3.43Å; A19-V21 PolarHBondContact O-N 2.76Å; A19-L22 PolarHBondContact O-N 3.35Å; A19-L22 VanDerWaalsContact O-N 3.09Å; A19-I23 PolarHBondContact O-N 3.25Å
20A84.8Confident85.5Confident19 Ų1982 Ų8216%0.15747%0.473CS..Hα-helixtrans-53.6-33.4174.400000113.2P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 3.04Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3.02Å; A20-I23 PolarHBondContact O-N 2.95Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.44Å; A20-I24 PolarHBondContact O-N 3.31Å; A20-F92 HydrophobicContact CB-CE1 4.35Å
21V84.8Confident85.6Confident82 Ų8278.9 Ų78.950%0.49746%0.457SS..Hα-helixtrans-63.3-41.6178.8-179.70000111.2P18 A19 I23 I24 L25P18-V21 HydrophobicContact CG-CG2 4.3Å; P18-V21 PolarHBondContact O-N 3.26Å; A19-V21 PolarHBondContact O-N 2.76Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.01Å; V21-I24 PolarHBondContact O-N 3.47Å; V21-L25 HydrophobicContact CG1-CD1 4.19Å; V21-L25 WeakPolarHBondContact O-CG 3.35Å; V21-L25 PolarHBondContact O-N 3.27Å; V21-L25 VanDerWaalsContact O-N 3.1Å
22L85.8Confident85.8Confident128 Ų12879.2 Ų79.267%0.6746%0.455SS*.Hα-helixtrans-66.6-38.3179.4-164.3149.2000110.9A19 A20 L25 F26A19-L22 PolarHBondContact O-N 3.35Å; A19-L22 VanDerWaalsContact O-N 3.09Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3.02Å; L22-L25 PolarHBondContact O-N 3.43Å; L22-F26 PolarHBondContact O-N 3.11Å
23I86.9Confident85.9Confident51 Ų5183.8 Ų83.826%0.26248%0.482SS..Hα-helixtrans-66-41.4176.8-58.6172.1000110.9P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.67Å; A19-I23 PolarHBondContact O-N 3.25Å; A20-I23 PolarHBondContact O-N 2.95Å; V21-I23 VanDerWaalsContact C-N 3.32Å; V21-I23 PolarHBondContact O-N 3.01Å; I23-L25 VanDerWaalsContact C-N 3.27Å; I23-L25 PolarHBondContact O-N 3.45Å; I23-F26 WeakPolarHBondContact O-CB 3.12Å; I23-F26 PolarHBondContact O-N 3.11Å; I23-P27 VanDerWaalsContact O-CD 3.32Å; I23-P27 WeakPolarHBondContact O-CD 3.29Å; I23-F92 HydrophobicContact CD1-CB 3.99Å; I23-F92 HydrophobicContact CD1-CD1 3.89Å; I23-F92 HydrophobicContact CD1-CG 4.33Å; I23-F92 HydrophobicContact CG2-CD1 4.5Å; I23-F92 WeakPolarHBondContact CG2-O 3.32Å
24I87.4Confident85.9Confident51 Ų5180.9 Ų80.926%0.26247%0.466SS..Hα-helixtrans-65-31.8176.7-68.6163.7000111.8A20 V21 F26 P27 F78 P94 M100A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.44Å; A20-I24 PolarHBondContact O-N 3.31Å; V21-I24 PolarHBondContact O-N 3.47Å; I24-F26 VanDerWaalsContact C-N 3.34Å; I24-P27 WeakPolarHBondContact O-CD 3.27Å; I24-F78 HydrophobicContact CG2-CZ 4.35Å; I24-P94 HydrophobicContact CD1-CB 4.29Å; I24-P94 HydrophobicContact CG1-CB 3.72Å; I24-P94 HydrophobicContact CG1-CG 4.08Å; I24-M100 HydrophobicContact CD1-SD 4.46Å; I24-M100 HydrophobicContact CG2-CE 4.41Å
25L86.5Confident85.8Confident117 Ų11785.6 Ų85.661%0.61348%0.482SS*.Hα-helixtrans-81.7-10.1178.3-71.1172.4000114V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.19Å; V21-L25 WeakPolarHBondContact O-CG 3.35Å; V21-L25 PolarHBondContact O-N 3.27Å; V21-L25 VanDerWaalsContact O-N 3.1Å; L22-L25 PolarHBondContact O-N 3.43Å; I23-L25 VanDerWaalsContact C-N 3.27Å; I23-L25 PolarHBondContact O-N 3.45Å; L25-P28 WeakPolarHBondContact O-CD 3.43Å
26F87.8Confident85.9Confident93 Ų9386.2 Ų86.241%0.40847%0.474SS..Hα-helixtrans-69.8-44.4-177.6-169.3-101.6000114.9L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 3.11Å; I23-F26 WeakPolarHBondContact O-CB 3.12Å; I23-F26 PolarHBondContact O-N 3.11Å; I24-F26 VanDerWaalsContact C-N 3.34Å; F26-L29 WeakPolarHBondContact O-CB 3.49Å; F26-L29 PolarHBondContact O-N 3.5Å; F26-L30 HydrophobicContact CD1-CD1 4.42Å; F26-L30 HydrophobicContact CE1-CD1 4.15Å; F26-L30 HydrophobicContact CE1-CD2 4.12Å; F26-L30 HydrophobicContact CE1-CG 4.24Å; F26-L30 HydrophobicContact CZ-CD2 4.35Å; F26-L85 HydrophobicContact CD1-CD1 4.15Å; F26-L85 HydrophobicContact CD1-CD2 3.81Å; F26-L85 HydrophobicContact CE1-CD2 3.68Å
27P88Confident85.6Confident3 Ų391.3 Ų91.32%0.01948%0.483CS..Hα-helixtrans-57.1-42-178.5-12.317.1000115.2I23 I24 L29 L30 T81 T82 L85I23-P27 VanDerWaalsContact O-CD 3.32Å; I23-P27 WeakPolarHBondContact O-CD 3.29Å; I24-P27 WeakPolarHBondContact O-CD 3.27Å; P27-L29 PolarHBondContact O-N 3.21Å; P27-L30 WeakPolarHBondContact O-CB 3.3Å; P27-L30 PolarHBondContact O-N 3.37Å; P27-L30 VanDerWaalsContact O-N 3.07Å; P27-T81 WeakPolarHBondContact CB-OG1 3.47Å; P27-T82 HydrophobicContact CB-CG2 4.26Å; P27-T82 HydrophobicContact CG-CG2 3.48Å; P27-T82 VanDerWaalsContact CG-CG2 3.48Å; P27-L85 HydrophobicContact CB-CD1 3.87Å; P27-L85 HydrophobicContact CG-CD1 3.9Å
28P84.3Confident85.6Confident69 Ų6992.7 Ų92.745%0.44849%0.49SS..Hα-helixtrans-55.9-32.6174.1-27.333.5000114.2L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.43Å; P28-L30 VanDerWaalsContact C-N 3.25Å; P28-L30 PolarHBondContact O-N 2.91Å; P28-I31 PolarHBondContact O-N 3.17Å
29L87.6Confident85.8Confident135 Ų13590.5 Ų90.571%0.70747%0.474SS*.Hα-helixtrans-68.7-24.7179.6-171.564.9000112.6F26 P27 I31F26-L29 WeakPolarHBondContact O-CB 3.49Å; F26-L29 PolarHBondContact O-N 3.5Å; P27-L29 PolarHBondContact O-N 3.21Å; L29-I31 PolarHBondContact O-N 3.32Å
30L86.9Confident86Confident79 Ų7995 Ų9541%0.41450%0.495SS..THydrogen-bonded Turntrans-74.7-6.6178-63.5176.1000113.7F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CD1-CD1 4.42Å; F26-L30 HydrophobicContact CE1-CD1 4.15Å; F26-L30 HydrophobicContact CE1-CD2 4.12Å; F26-L30 HydrophobicContact CE1-CG 4.24Å; F26-L30 HydrophobicContact CZ-CD2 4.35Å; P27-L30 WeakPolarHBondContact O-CB 3.3Å; P27-L30 PolarHBondContact O-N 3.37Å; P27-L30 VanDerWaalsContact O-N 3.07Å; P28-L30 VanDerWaalsContact C-N 3.25Å; P28-L30 PolarHBondContact O-N 2.91Å; L30-P32 VanDerWaalsContact C-CD 3.41Å; L30-P32 WeakPolarHBondContact O-CD 3.26Å; L30-Q46 PolarHBondContact O-NE2 3.39Å; L30-L85 HydrophobicContact CD1-CD1 3.53Å; L30-L85 HydrophobicContact CD1-CD2 3.96Å; L30-L85 HydrophobicContact CD1-CG 3.97Å
31I87.4Confident86.3Confident55 Ų55104.5 Ų104.528%0.28253%0.527SS..SBendtrans-108.382.1-178.2-53.5163.7000108.3P28 L29 I77P28-I31 PolarHBondContact O-N 3.17Å; L29-I31 PolarHBondContact O-N 3.32Å; I31-I77 HydrophobicContact CD1-CG2 3.37Å; I31-I77 HydrophobicContact CG1-CG2 4.46Å
32P85.8Confident86.5Confident58 Ų58104.7 Ų104.738%0.37752%0.524SS..  trans-69135.8179.128.1-34.3000110.9L30 L42 I43L30-P32 VanDerWaalsContact C-CD 3.41Å; L30-P32 WeakPolarHBondContact O-CD 3.26Å; P32-L42 HydrophobicContact CG-CD2 3.56Å; P32-I43 HydrophobicContact CB-CD1 4.45Å; P32-I43 HydrophobicContact CG-CD1 4.43Å; P32-I43 HydrophobicContact CG-CG1 4.03Å
33T86.1Confident86.8Confident135 Ų13599.4 Ų99.483%0.82850%0.497SS*.  trans-101.7131.3170.760.20000110
34S86Confident87Confident38 Ų3899.1 Ų99.127%0.26650%0.502SS..  trans-107.6149.2170.1550000111.5N39 I43S34-N39 WeakPolarHBondContact CB-OD1 3.4Å; S34-N39 PolarHBondContact OG-ND2 3.2Å; S34-N39 VanDerWaalsContact OG-ND2 3.12Å; S34-N39 PolarHBondContact OG-OD1 3.06Å; S34-I43 WeakPolarHBondContact OG-CD1 3.41Å
35K84.9Confident87.1Confident212 Ų212100.9 Ų100.992%0.92252%0.515SS*.  trans-90.1-11.5175.1-62.4-179.2-178.9178.30113.2
36Y85.7Confident87.3Confident188 Ų18897.5 Ų97.574%0.73750%0.496SS*.SBendtrans-82.7155.2-175-60.4-72000111.7N39Y36-N39 PolarHBondContact O-OD1 3.28Å
37L77.9Confident87.5Confident177 Ų17797.8 Ų97.893%0.92750%0.499SS*.SBendtrans-74.8-39177.3-168.474.6000111.5
38I84.3Confident87.6Confident156 Ų156105.8 Ų105.880%0.853%0.529SS*.SBendtrans-98.6114.5174.1-59169.5000107.4
39N88.2Confident87.9Confident35 Ų35107 Ų10719%0.18753%0.531CS..  trans-104.8164.1-172-71.6-24000112.6S34 Y36 I43 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.4Å; S34-N39 PolarHBondContact OG-ND2 3.2Å; S34-N39 VanDerWaalsContact OG-ND2 3.12Å; S34-N39 PolarHBondContact OG-OD1 3.06Å; Y36-N39 PolarHBondContact O-OD1 3.28Å; N39-I43 HydrophobicContact CB-CB 4.01Å; N39-I43 HydrophobicContact CB-CG2 3.89Å; N39-Q47 PolarHBondContact ND2-NE2 3.16Å; N39-Q47 VanDerWaalsContact ND2-NE2 3.14Å; N39-Q47 PolarHBondContact ND2-OE1 3.33Å
40N89.7Confident88.1Confident115 Ų115103.3 Ų103.362%0.61551%0.511SS*.  trans-63.2153.2170.1-165.3-0.2000110.4L42 I43 A44N40-L42 PolarHBondContact O-N 2.86Å; N40-L42 VanDerWaalsContact O-N 3.17Å; N40-I43 PolarHBondContact O-N 3.42Å; N40-A44 PolarHBondContact O-N 3.46Å
41R89.4Confident88.3Confident217 Ų217106.8 Ų106.882%0.81952%0.523SS*.Hα-helixtrans-52-41.2-177.8-65.5-176.6-179.4179.30.6112.4A44 T45R41-A44 PolarHBondContact O-N 3.35Å; R41-T45 WeakPolarHBondContact O-CG2 3.2Å; R41-T45 PolarHBondContact O-N 3.43Å; R41-T45 PolarHBondContact O-OG1 2.85Å
42L89.6Confident88.5Confident86 Ų86107.4 Ų107.445%0.4553%0.527SS..Hα-helixtrans-62.7-43.5178.1-177.4151.9000112.3P32 N40 A44 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.56Å; N40-L42 PolarHBondContact O-N 2.86Å; N40-L42 VanDerWaalsContact O-N 3.17Å; L42-A44 VanDerWaalsContact C-N 3.34Å; L42-T45 PolarHBondContact O-N 2.83Å; L42-T45 PolarHBondContact O-OG1 2.95Å; L42-Q46 VanDerWaalsContact CD2-CD 3.49Å; L42-Q46 HydrophobicContact CD2-CG 4.35Å; L42-Q46 WeakPolarHBondContact O-CB 3.22Å; L42-Q46 VanDerWaalsContact O-CG 3.26Å; L42-Q46 WeakPolarHBondContact O-CG 3.31Å; L42-Q46 PolarHBondContact O-N 3.14Å
43I91.4Very high88.6Confident17 Ų17105.7 Ų105.79%0.08752%0.515CS..Hα-helixtrans-70.4-36.6178.6-61.3174000109.8P32 S34 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.45Å; P32-I43 HydrophobicContact CG-CD1 4.43Å; P32-I43 HydrophobicContact CG-CG1 4.03Å; S34-I43 WeakPolarHBondContact OG-CD1 3.41Å; N39-I43 HydrophobicContact CB-CB 4.01Å; N39-I43 HydrophobicContact CB-CG2 3.89Å; N40-I43 PolarHBondContact O-N 3.42Å; I43-Q46 PolarHBondContact O-N 3.37Å; I43-Q47 HydrophobicContact CG2-CG 4.24Å; I43-Q47 WeakPolarHBondContact O-CB 3.37Å; I43-Q47 VanDerWaalsContact O-CG 3.25Å; I43-Q47 WeakPolarHBondContact O-CG 3.34Å; I43-Q47 PolarHBondContact O-N 3.07Å
44A91.3Very high88.7Confident46 Ų46100.7 Ų100.738%0.3849%0.486SS..Hα-helixtrans-63.7-43.4176.100000112.2N40 R41 L42 Q47 W48N40-A44 PolarHBondContact O-N 3.46Å; R41-A44 PolarHBondContact O-N 3.35Å; L42-A44 VanDerWaalsContact C-N 3.34Å; A44-Q47 PolarHBondContact O-N 2.98Å; A44-W48 WeakPolarHBondContact O-CB 3.48Å; A44-W48 PolarHBondContact O-N 3.28Å
45T90.8Very high88.8Confident88 Ų88106.2 Ų106.254%0.5451%0.505SS..Hα-helixtrans-67.6-39175.9560000111.9R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.2Å; R41-T45 PolarHBondContact O-N 3.43Å; R41-T45 PolarHBondContact O-OG1 2.85Å; L42-T45 PolarHBondContact O-N 2.83Å; L42-T45 PolarHBondContact O-OG1 2.95Å; T45-W48 PolarHBondContact O-N 3.45Å; T45-L49 WeakPolarHBondContact O-CB 3.18Å; T45-L49 PolarHBondContact O-N 3.34Å
46Q90.8Very high88.8Confident45 Ų45102 Ų10221%0.2149%0.488CS..Hα-helixtrans-61.1-49.2173.2-75.2176.2-16.900111.9L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 3.39Å; L42-Q46 VanDerWaalsContact CD2-CD 3.49Å; L42-Q46 HydrophobicContact CD2-CG 4.35Å; L42-Q46 WeakPolarHBondContact O-CB 3.22Å; L42-Q46 VanDerWaalsContact O-CG 3.26Å; L42-Q46 WeakPolarHBondContact O-CG 3.31Å; L42-Q46 PolarHBondContact O-N 3.14Å; I43-Q46 PolarHBondContact O-N 3.37Å; Q46-W48 VanDerWaalsContact C-N 3.3Å; Q46-W48 PolarHBondContact O-N 3.41Å; Q46-L49 PolarHBondContact O-N 2.95Å; Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.3Å; Q46-I50 PolarHBondContact O-N 3.15Å
47Q90.4Very high88.7Confident99 Ų9993.6 Ų93.646%0.46346%0.456SS..Hα-helixtrans-61.3-39.4177.6-75.1175.3-13.500112N39 I43 A44 K51N39-Q47 PolarHBondContact ND2-NE2 3.16Å; N39-Q47 VanDerWaalsContact ND2-NE2 3.14Å; N39-Q47 PolarHBondContact ND2-OE1 3.33Å; I43-Q47 HydrophobicContact CG2-CG 4.24Å; I43-Q47 WeakPolarHBondContact O-CB 3.37Å; I43-Q47 VanDerWaalsContact O-CG 3.25Å; I43-Q47 WeakPolarHBondContact O-CG 3.34Å; I43-Q47 PolarHBondContact O-N 3.07Å; A44-Q47 PolarHBondContact O-N 2.98Å; Q47-K51 VanDerWaalsContact O-CB 3.31Å; Q47-K51 WeakPolarHBondContact O-CB 3.35Å; Q47-K51 PolarHBondContact O-N 2.98Å
48W92.1Very high88.9Confident172 Ų17286.1 Ų86.165%0.65242%0.417SS*.Hα-helixtrans-62.9-45.2174.9-179.782.9000111.8A44 T45 Q46 K51 L52A44-W48 WeakPolarHBondContact O-CB 3.48Å; A44-W48 PolarHBondContact O-N 3.28Å; T45-W48 PolarHBondContact O-N 3.45Å; Q46-W48 VanDerWaalsContact C-N 3.3Å; Q46-W48 PolarHBondContact O-N 3.41Å; W48-K51 PolarHBondContact O-N 3.15Å; W48-L52 HydrophobicContact CD2-CD1 3.71Å; W48-L52 HydrophobicContact CD2-CG 4.39Å; W48-L52 VanDerWaalsContact CE2-CD1 3.46Å; W48-L52 HydrophobicContact CE3-CD1 3.76Å; W48-L52 HydrophobicContact CH2-CD1 3.39Å; W48-L52 HydrophobicContact CZ2-CD1 3.34Å; W48-L52 HydrophobicContact CZ2-CG 4.42Å; W48-L52 HydrophobicContact CZ3-CD1 3.59Å; W48-L52 WeakPolarHBondContact O-CG 3.4Å; W48-L52 PolarHBondContact O-N 2.77Å
49L90.6Very high88.9Confident93 Ų9383.5 Ų83.549%0.48741%0.408SS..Hα-helixtrans-63.4-45.6178.1-167.2144.3000111.6T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.18Å; T45-L49 PolarHBondContact O-N 3.34Å; Q46-L49 PolarHBondContact O-N 2.95Å; L49-K51 VanDerWaalsContact C-N 3.3Å; L49-K51 PolarHBondContact O-N 3.28Å; L49-L52 PolarHBondContact O-N 3.15Å; L49-T53 HydrophobicContact CD2-CG2 4.1Å; L49-T53 WeakPolarHBondContact O-CG2 3.42Å; L49-T53 PolarHBondContact O-N 2.92Å; L49-T53 PolarHBondContact O-OG1 2.73Å
50I91.1Very high88.3Confident58 Ų5888.2 Ų88.230%0.29743%0.431SS..Hα-helixtrans-60.2-40.6175.7-66.8169.7000111.3Q46 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.3Å; Q46-I50 PolarHBondContact O-N 3.15Å; I50-T53 PolarHBondContact O-OG1 2.84Å; I50-S54 WeakPolarHBondContact O-CB 3.36Å; I50-S54 PolarHBondContact O-N 3.36Å; I50-S54 PolarHBondContact O-OG 3.42Å; I50-V73 HydrophobicContact CG2-CG1 3.88Å; I50-I77 HydrophobicContact CD1-CD1 4.01Å; I50-I77 HydrophobicContact CG1-CD1 3.72Å
51K90.9Very high87.8Confident153 Ų15383.7 Ų83.767%0.66541%0.406SS*.Hα-helixtrans-66.2-38.8178.1-173.4178.1-179.1179.50111.8Q47 W48 L49 S54 K55Q47-K51 VanDerWaalsContact O-CB 3.31Å; Q47-K51 WeakPolarHBondContact O-CB 3.35Å; Q47-K51 PolarHBondContact O-N 2.98Å; W48-K51 PolarHBondContact O-N 3.15Å; L49-K51 VanDerWaalsContact C-N 3.3Å; L49-K51 PolarHBondContact O-N 3.28Å; K51-S54 WeakPolarHBondContact CA-OG 3.34Å; K51-S54 PolarHBondContact O-OG 2.97Å; K51-S54 VanDerWaalsContact O-OG 3.08Å; K51-K55 VanDerWaalsContact O-CB 3.27Å; K51-K55 WeakPolarHBondContact O-CB 3.18Å; K51-K55 PolarHBondContact O-N 3.17Å
52L90.9Very high87.3Confident67 Ų6778.9 Ų78.935%0.35140%0.397SS..Hα-helixtrans-68.4-50.9177.5-75.3176.7000112.1W48 L49 S54 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.71Å; W48-L52 HydrophobicContact CD2-CG 4.39Å; W48-L52 VanDerWaalsContact CE2-CD1 3.46Å; W48-L52 HydrophobicContact CE3-CD1 3.76Å; W48-L52 HydrophobicContact CH2-CD1 3.39Å; W48-L52 HydrophobicContact CZ2-CD1 3.34Å; W48-L52 HydrophobicContact CZ2-CG 4.42Å; W48-L52 HydrophobicContact CZ3-CD1 3.59Å; W48-L52 WeakPolarHBondContact O-CG 3.4Å; W48-L52 PolarHBondContact O-N 2.77Å; L49-L52 PolarHBondContact O-N 3.15Å; L52-S54 VanDerWaalsContact C-N 3.32Å; L52-S54 PolarHBondContact O-N 3.28Å; L52-K55 PolarHBondContact O-N 2.91Å; L52-Q56 WeakPolarHBondContact O-CG 3.3Å; L52-Q56 PolarHBondContact O-N 3.1Å
53T87.8Confident86.8Confident23 Ų2380.3 Ų80.314%0.14141%0.409CS..Hα-helixtrans-62-43.5-179.557.60000110.8L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 4.1Å; L49-T53 WeakPolarHBondContact O-CG2 3.42Å; L49-T53 PolarHBondContact O-N 2.92Å; L49-T53 PolarHBondContact O-OG1 2.73Å; I50-T53 PolarHBondContact O-OG1 2.84Å; T53-K55 PolarHBondContact O-N 3.46Å; T53-Q56 PolarHBondContact O-N 2.94Å; T53-M57 WeakPolarHBondContact O-CG 3.49Å; T53-M57 PolarHBondContact O-N 2.98Å
54S88.4Confident86.1Confident30 Ų3085.3 Ų85.321%0.2143%0.43CS..Hα-helixtrans-63.5-41.8177.560.40000112.1I50 K51 L52 Q56 M58I50-S54 WeakPolarHBondContact O-CB 3.36Å; I50-S54 PolarHBondContact O-N 3.36Å; I50-S54 PolarHBondContact O-OG 3.42Å; K51-S54 WeakPolarHBondContact CA-OG 3.34Å; K51-S54 PolarHBondContact O-OG 2.97Å; K51-S54 VanDerWaalsContact O-OG 3.08Å; L52-S54 VanDerWaalsContact C-N 3.32Å; L52-S54 PolarHBondContact O-N 3.28Å; S54-Q56 PolarHBondContact O-N 3.19Å; S54-M58 VanDerWaalsContact CA-CE 3.41Å; S54-M58 VanDerWaalsContact O-CB 3.29Å; S54-M58 WeakPolarHBondContact O-CB 3.42Å; S54-M58 WeakPolarHBondContact O-CE 3.19Å; S54-M58 PolarHBondContact O-N 2.9Å; S54-M58 VanDerWaalsContact O-N 3.08Å
55K88.5Confident85.5Confident153 Ų15383.1 Ų83.167%0.66541%0.412SS*.Hα-helixtrans-62-43.5176.4-172.6-179.2179.2-173.80111.7K51 L52 T53 T59K51-K55 VanDerWaalsContact O-CB 3.27Å; K51-K55 WeakPolarHBondContact O-CB 3.18Å; K51-K55 PolarHBondContact O-N 3.17Å; L52-K55 PolarHBondContact O-N 2.91Å; T53-K55 PolarHBondContact O-N 3.46Å; K55-T59 WeakPolarHBondContact O-CG2 3.41Å; K55-T59 PolarHBondContact O-N 3.38Å
56Q86.1Confident85.1Confident123 Ų12387 Ų8758%0.57542%0.417SS*.Hα-helixtrans-70.2-38.8-178.1-73.9179.8-23.500113.3L52 T53 S54 T59L52-Q56 WeakPolarHBondContact O-CG 3.3Å; L52-Q56 PolarHBondContact O-N 3.1Å; T53-Q56 PolarHBondContact O-N 2.94Å; S54-Q56 PolarHBondContact O-N 3.19Å; Q56-T59 PolarHBondContact O-OG1 3.36Å
57M82.9Confident84.8Confident13 Ų1389.6 Ų89.66%0.06444%0.436CS..Hα-helixtrans-73.8-36.8178.8-70.1-175.5172.800112.3T53 T59 H61 L72 I76 Y212 T215T53-M57 WeakPolarHBondContact O-CG 3.49Å; T53-M57 PolarHBondContact O-N 2.98Å; M57-T59 PolarHBondContact O-N 3.28Å; M57-H61 PolarHBondContact O-ND1 3.34Å; M57-L72 HydrophobicContact SD-CB 4.38Å; M57-I76 HydrophobicContact CE-CB 4.48Å; M57-I76 HydrophobicContact CE-CD1 3.69Å; M57-Y212 HydrophobicContact CE-CD2 4.48Å; M57-T215 WeakPolarHBondContact CE-OG1 3.48Å
58M82.4Confident84.6Confident19 Ų1987.4 Ų87.49%0.09442%0.423CS..Hα-helixtrans-80.9-12.4-174.5-9045.982.900114.1S54 M60 H61 R66 S69 V73S54-M58 VanDerWaalsContact CA-CE 3.41Å; S54-M58 VanDerWaalsContact O-CB 3.29Å; S54-M58 WeakPolarHBondContact O-CB 3.42Å; S54-M58 WeakPolarHBondContact O-CE 3.19Å; S54-M58 PolarHBondContact O-N 2.9Å; S54-M58 VanDerWaalsContact O-N 3.08Å; M58-M60 PolarHBondContact O-N 3.35Å; M58-H61 PolarHBondContact O-N 3.07Å; M58-R66 HydrophobicContact CG-CG 3.91Å; M58-S69 WeakPolarHBondContact CE-OG 3.32Å; M58-V73 HydrophobicContact CE-CG2 4.03Å
59T83.5Confident84.4Confident102 Ų10280.6 Ų80.663%0.62640%0.402SS*.THydrogen-bonded Turntrans-63.8-28.1173.750.60000112.5K55 Q56 M57K55-T59 WeakPolarHBondContact O-CG2 3.41Å; K55-T59 PolarHBondContact O-N 3.38Å; Q56-T59 PolarHBondContact O-OG1 3.36Å; M57-T59 PolarHBondContact O-N 3.28Å
60M75.1Confident84.4Confident133 Ų13383.2 Ų83.266%0.65542%0.415SS*.THydrogen-bonded Turntrans-82.9-11.8-179.5-58.3-101.892.800112.7M58 H223M58-M60 PolarHBondContact O-N 3.35Å; M60-H223 PolarHBondContact O-CE1 3.34Å; M60-H223 PolarHBondContact O-ND1 3.13Å
61H80.4Confident84.4Confident21 Ų2183 Ų8310%0.09741%0.414CS..  trans-109.3143.6-166.8-72.376.1000113.5M57 M58 S219M57-H61 PolarHBondContact O-ND1 3.34Å; M58-H61 PolarHBondContact O-N 3.07Å; H61-S219 PolarHBondContact NE2-O 2.8Å
62N78.9Confident84.3Confident116 Ų11675.8 Ų75.862%0.6238%0.383SS*.  trans-78.9173.4172.2-140.1-11.7000111.6K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.29Å; N62-K64 PolarHBondContact O-N 3.47Å; N62-K64 VanDerWaalsContact O-N 3.16Å; N62-G65 PolarHBondContact O-N 2.64Å; N62-R66 PolarHBondContact O-N 3.16Å
63T78.9Confident84.3Confident115 Ų11573.3 Ų73.371%0.70637%0.37SS*.THydrogen-bonded Turntrans-54.6-38.1-173.955.20000114.3
64K77.3Confident84.5Confident123 Ų12375.3 Ų75.354%0.53539%0.385SS..THydrogen-bonded Turntrans-68.1-45175.1-69.4-177.2-178.4176.70112.4N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.29Å; N62-K64 PolarHBondContact O-N 3.47Å; N62-K64 VanDerWaalsContact O-N 3.16Å; K64-R66 PolarHBondContact O-N 3.18Å; K64-T67 WeakPolarHBondContact O-CB 3Å; K64-T67 PolarHBondContact O-N 3.02Å; K64-T67 PolarHBondContact O-OG1 3.33Å
65G77.1Confident84.6Confident0 Ų074.9 Ų74.90%038%0.38CS..G310 helixtrans-63.2-30.617700000112.7N62 T67 W68N62-G65 PolarHBondContact O-N 2.64Å; G65-T67 PolarHBondContact O-N 3.03Å; G65-T67 VanDerWaalsContact O-N 3.15Å; G65-W68 WeakPolarHBondContact O-CB 3.45Å; G65-W68 PolarHBondContact O-N 3.16Å
66R82.3Confident84.7Confident169 Ų16968.4 Ų68.464%0.63835%0.353SS*.G310 helixtrans-62.9-21.1176.7-162.3168.8-174.4-173.51113.8M58 N62 K64 W68 S69M58-R66 HydrophobicContact CG-CG 3.91Å; N62-R66 PolarHBondContact O-N 3.16Å; K64-R66 PolarHBondContact O-N 3.18Å; R66-W68 PolarHBondContact O-N 3.26Å; R66-S69 WeakPolarHBondContact O-CB 3.22Å; R66-S69 PolarHBondContact O-N 3.36Å; R66-S69 VanDerWaalsContact O-N 3.11Å
67T85.5Confident85Confident100 Ų10064.3 Ų64.361%0.61334%0.335SS*.G310 helixtrans-63.7-26.5173.862.70000112.7K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3Å; K64-T67 PolarHBondContact O-N 3.02Å; K64-T67 PolarHBondContact O-OG1 3.33Å; G65-T67 PolarHBondContact O-N 3.03Å; G65-T67 VanDerWaalsContact O-N 3.15Å; T67-S69 VanDerWaalsContact C-N 3.28Å; T67-S69 PolarHBondContact O-N 2.98Å
68W86.4Confident85.3Confident53 Ų5366 Ų6620%0.20134%0.342CS..G310 helixtrans-84.40.1177-72.559.2000113.4G65 R66 L70 M71 L72 M115 L222G65-W68 WeakPolarHBondContact O-CB 3.45Å; G65-W68 PolarHBondContact O-N 3.16Å; R66-W68 PolarHBondContact O-N 3.26Å; W68-L70 VanDerWaalsContact C-N 3.26Å; W68-L70 PolarHBondContact O-N 3.38Å; W68-M71 HydrophobicContact CD2-CE 4.24Å; W68-M71 HydrophobicContact CE3-CE 3.11Å; W68-M71 HydrophobicContact CE3-SD 3.66Å; W68-M71 HydrophobicContact CH2-SD 4.45Å; W68-M71 HydrophobicContact CZ3-CE 3.35Å; W68-M71 HydrophobicContact CZ3-SD 3.57Å; W68-M71 VanDerWaalsContact CZ3-SD 3.57Å; W68-M71 PolarHBondContact O-N 3.28Å; W68-M71 VanDerWaalsContact O-N 3.07Å; W68-L72 PolarHBondContact O-N 2.95Å; W68-M115 HydrophobicContact CZ2-SD 4Å; W68-M115 PolarHBondContact NE1-SD 2.81Å; W68-L222 HydrophobicContact CB-CD2 3.47Å; W68-L222 VanDerWaalsContact CB-CD2 3.47Å; W68-L222 HydrophobicContact CD2-CD1 3.74Å; W68-L222 HydrophobicContact CD2-CD2 4.15Å; W68-L222 HydrophobicContact CE3-CD1 3.98Å; W68-L222 HydrophobicContact CE3-CD2 4.5Å; W68-L222 HydrophobicContact CG-CD1 3.98Å; W68-L222 HydrophobicContact CG-CD2 3.63Å; W68-L222 HydrophobicContact CG-CG 4.48Å
69S86.9Confident85.7Confident29 Ų2965.1 Ų65.120%0.20334%0.337CS..Hα-helixtrans-52.2-43.8-179.8172.10000112.5M58 R66 T67 M71 V73M58-S69 WeakPolarHBondContact CE-OG 3.32Å; R66-S69 WeakPolarHBondContact O-CB 3.22Å; R66-S69 PolarHBondContact O-N 3.36Å; R66-S69 VanDerWaalsContact O-N 3.11Å; T67-S69 VanDerWaalsContact C-N 3.28Å; T67-S69 PolarHBondContact O-N 2.98Å; S69-M71 VanDerWaalsContact C-N 3.32Å; S69-M71 PolarHBondContact O-N 2.76Å; S69-V73 WeakPolarHBondContact O-CB 3.5Å; S69-V73 WeakPolarHBondContact O-CG2 3.16Å; S69-V73 PolarHBondContact O-N 2.9Å
70L90.4Very high86.1Confident147 Ų14761.6 Ų61.677%0.7732%0.319SS*.Hα-helixtrans-61.8-45.2-179.1-171.590.5000110.7W68 V73 S74W68-L70 VanDerWaalsContact C-N 3.26Å; W68-L70 PolarHBondContact O-N 3.38Å; L70-V73 PolarHBondContact O-N 3.13Å; L70-S74 WeakPolarHBondContact O-CB 3.43Å; L70-S74 PolarHBondContact O-N 3.15Å; L70-S74 PolarHBondContact O-OG 3.11Å
71M90.9Very high86.8Confident54 Ų5456.8 Ų56.827%0.26630%0.297SS..Hα-helixtrans-65.4-48.2-177.5-168.1-162.27400110.9W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 4.24Å; W68-M71 HydrophobicContact CE3-CE 3.11Å; W68-M71 HydrophobicContact CE3-SD 3.66Å; W68-M71 HydrophobicContact CH2-SD 4.45Å; W68-M71 HydrophobicContact CZ3-CE 3.35Å; W68-M71 HydrophobicContact CZ3-SD 3.57Å; W68-M71 VanDerWaalsContact CZ3-SD 3.57Å; W68-M71 PolarHBondContact O-N 3.28Å; W68-M71 VanDerWaalsContact O-N 3.07Å; S69-M71 VanDerWaalsContact C-N 3.32Å; S69-M71 PolarHBondContact O-N 2.76Å; M71-V73 VanDerWaalsContact C-N 3.35Å; M71-V73 PolarHBondContact O-N 3.36Å; M71-S74 PolarHBondContact O-N 3.18Å; M71-S74 PolarHBondContact O-OG 3.1Å; M71-L75 WeakPolarHBondContact O-CB 3.46Å; M71-L75 PolarHBondContact O-N 3.12Å; M71-L108 HydrophobicContact CE-CD2 3.29Å; M71-L108 HydrophobicContact CG-CD2 4.27Å; M71-L108 HydrophobicContact SD-CD2 3.43Å; M71-L108 WeakPolarHBondContact SD-CD2 3.42Å
72L90.1Very high87.3Confident1 Ų156 Ų561%0.00529%0.293CS..Hα-helixtrans-59.9-43.2177.9-68.1173.2000112.4M57 W68 L75 I76 V218M57-L72 HydrophobicContact SD-CB 4.38Å; W68-L72 PolarHBondContact O-N 2.95Å; L72-L75 WeakPolarHBondContact O-CB 3.33Å; L72-L75 PolarHBondContact O-N 3.12Å; L72-I76 PolarHBondContact O-N 3.38Å; L72-V218 HydrophobicContact CD2-CB 4.25Å; L72-V218 HydrophobicContact CD2-CG1 3.83Å
73V91.1Very high87.8Confident16 Ų1650.5 Ų50.510%0.09726%0.264CS..Hα-helixtrans-66.9-42.3178171.60000111.3I50 M58 S69 L70 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.88Å; M58-V73 HydrophobicContact CE-CG2 4.03Å; S69-V73 WeakPolarHBondContact O-CB 3.5Å; S69-V73 WeakPolarHBondContact O-CG2 3.16Å; S69-V73 PolarHBondContact O-N 2.9Å; L70-V73 PolarHBondContact O-N 3.13Å; M71-V73 VanDerWaalsContact C-N 3.35Å; M71-V73 PolarHBondContact O-N 3.36Å; V73-L75 PolarHBondContact O-N 3.21Å; V73-I76 VanDerWaalsContact O-CG2 3.27Å; V73-I76 WeakPolarHBondContact O-CG2 3.42Å; V73-I77 HydrophobicContact CG1-CD1 3.8Å; V73-I77 VanDerWaalsContact O-CD1 3.3Å; V73-I77 WeakPolarHBondContact O-CD1 3.19Å; V73-I77 VanDerWaalsContact O-CG1 3.23Å; V73-I77 WeakPolarHBondContact O-CG1 3.22Å; V73-I77 PolarHBondContact O-N 3.21Å
74S91.3Very high88.4Confident65 Ų6549.7 Ų49.746%0.45526%0.255SS..Hα-helixtrans-62.2-36.4175.5700000111.9L70 M71 F78L70-S74 WeakPolarHBondContact O-CB 3.43Å; L70-S74 PolarHBondContact O-N 3.15Å; L70-S74 PolarHBondContact O-OG 3.11Å; M71-S74 PolarHBondContact O-N 3.18Å; M71-S74 PolarHBondContact O-OG 3.1Å; S74-F78 VanDerWaalsContact O-CB 3.29Å; S74-F78 WeakPolarHBondContact O-CB 3.3Å; S74-F78 PolarHBondContact O-N 3.38Å
75L90.4Very high88.9Confident20 Ų2045.5 Ų45.511%0.10524%0.238CC..Hα-helixtrans-69.4-47.4-178.3-159.593.2000112.7M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 WeakPolarHBondContact O-CB 3.46Å; M71-L75 PolarHBondContact O-N 3.12Å; L72-L75 WeakPolarHBondContact O-CB 3.33Å; L72-L75 PolarHBondContact O-N 3.12Å; V73-L75 PolarHBondContact O-N 3.21Å; L75-I77 VanDerWaalsContact C-N 3.27Å; L75-I77 PolarHBondContact O-N 2.88Å; L75-F78 PolarHBondContact O-N 2.94Å; L75-I79 HydrophobicContact CD2-CD1 3.88Å; L75-I79 HydrophobicContact CG-CD1 3.89Å; L75-I79 WeakPolarHBondContact O-CG1 3.43Å; L75-I79 PolarHBondContact O-N 2.88Å; L75-L108 HydrophobicContact CD1-CD1 3.45Å; L75-L108 VanDerWaalsContact CD1-CD1 3.45Å; L75-L108 HydrophobicContact CD1-CD2 4.46Å; L75-L108 HydrophobicContact CD2-CD1 3.79Å; L75-L108 HydrophobicContact CG-CD1 4.27Å; L75-F214 HydrophobicContact CD2-CD1 3.47Å; L75-F214 VanDerWaalsContact CD2-CD1 3.47Å; L75-F214 HydrophobicContact CD2-CE1 3.42Å; L75-F214 VanDerWaalsContact CD2-CE1 3.42Å; L75-T215 HydrophobicContact CB-CG2 4.05Å; L75-T215 HydrophobicContact CD2-CG2 3.63Å; L75-T215 HydrophobicContact CG-CG2 4.27Å
76I91.2Very high89.3Confident18 Ų1845.6 Ų45.69%0.09224%0.239CC..Hα-helixtrans-61.7-41.3179.6-171.5167.7000110.3M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CB 4.48Å; M57-I76 HydrophobicContact CE-CD1 3.69Å; L72-I76 PolarHBondContact O-N 3.38Å; V73-I76 VanDerWaalsContact O-CG2 3.27Å; V73-I76 WeakPolarHBondContact O-CG2 3.42Å; I76-A80 WeakPolarHBondContact O-CB 3.14Å; I76-A80 PolarHBondContact O-N 3.44Å; I76-A211 HydrophobicContact CG1-CB 4.48Å; I76-Y212 HydrophobicContact CD1-CD2 4.19Å; I76-T215 HydrophobicContact CB-CG2 3.54Å; I76-T215 HydrophobicContact CG1-CG2 4.3Å
77I91.2Very high89.6Confident36 Ų3639.3 Ų39.319%0.18522%0.218CC..Hα-helixtrans-67-43.3179.3-62.8165.5000110.3I31 I50 V73 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.37Å; I31-I77 HydrophobicContact CG1-CG2 4.46Å; I50-I77 HydrophobicContact CD1-CD1 4.01Å; I50-I77 HydrophobicContact CG1-CD1 3.72Å; V73-I77 HydrophobicContact CG1-CD1 3.8Å; V73-I77 VanDerWaalsContact O-CD1 3.3Å; V73-I77 WeakPolarHBondContact O-CD1 3.19Å; V73-I77 VanDerWaalsContact O-CG1 3.23Å; V73-I77 WeakPolarHBondContact O-CG1 3.22Å; V73-I77 PolarHBondContact O-N 3.21Å; L75-I77 VanDerWaalsContact C-N 3.27Å; L75-I77 PolarHBondContact O-N 2.88Å; I77-T81 HydrophobicContact CG2-CG2 4.28Å; I77-T81 WeakPolarHBondContact O-CB 3Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.39Å; I77-T81 PolarHBondContact O-N 2.97Å; I77-T81 PolarHBondContact O-OG1 3.1Å
78F90.7Very high89.6Confident49 Ų4939.2 Ų39.222%0.21521%0.213CC..Hα-helixtrans-60.2-54178-179.8-103.9000111.6I24 S74 L75 A80 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.35Å; S74-F78 VanDerWaalsContact O-CB 3.29Å; S74-F78 WeakPolarHBondContact O-CB 3.3Å; S74-F78 PolarHBondContact O-N 3.38Å; L75-F78 PolarHBondContact O-N 2.94Å; F78-A80 PolarHBondContact O-N 3.13Å; F78-T81 PolarHBondContact O-N 2.97Å; F78-T81 PolarHBondContact O-OG1 3.35Å; F78-T82 HydrophobicContact CD2-CG2 4.33Å; F78-T82 HydrophobicContact CE1-CG2 4.19Å; F78-T82 HydrophobicContact CE2-CG2 3.95Å; F78-T82 HydrophobicContact CZ-CG2 3.88Å; F78-T82 WeakPolarHBondContact O-CG2 3.44Å; F78-T82 PolarHBondContact O-N 3.05Å; F78-T82 PolarHBondContact O-OG1 2.96Å; F78-T82 VanDerWaalsContact O-OG1 3.07Å; F78-M100 HydrophobicContact CE1-CE 3.84Å; F78-M100 HydrophobicContact CZ-CE 3.85Å; F78-M104 HydrophobicContact CD1-SD 3.93Å; F78-M104 HydrophobicContact CE1-SD 3.61Å
79I90.9Very high89.4Confident0 Ų042 Ų420%024%0.239CC..Hα-helixtrans-64.6-42.3-177.9-60.3169000111L75 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD2-CD1 3.88Å; L75-I79 HydrophobicContact CG-CD1 3.89Å; L75-I79 WeakPolarHBondContact O-CG1 3.43Å; L75-I79 PolarHBondContact O-N 2.88Å; I79-T82 WeakPolarHBondContact CA-OG1 3.2Å; I79-T82 PolarHBondContact O-OG1 3.29Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.25Å; I79-N83 WeakPolarHBondContact O-CB 3.35Å; I79-N83 PolarHBondContact O-N 3.28Å; I79-N83 PolarHBondContact O-ND2 3.39Å; I79-N83 PolarHBondContact O-OD1 2.77Å; I79-L160 HydrophobicContact CG2-CD1 4.11Å; I79-L160 HydrophobicContact CG2-CD2 4.16Å; I79-A211 HydrophobicContact CB-CB 4.05Å; I79-A211 HydrophobicContact CG2-CB 3.77Å; I79-F214 HydrophobicContact CD1-CB 4.21Å; I79-F214 HydrophobicContact CD1-CD1 3.57Å; I79-F214 HydrophobicContact CD1-CD2 4.24Å; I79-F214 HydrophobicContact CD1-CE1 3.98Å; I79-F214 HydrophobicContact CD1-CG 3.73Å; I79-F214 HydrophobicContact CD1-CZ 4.43Å
80A90.4Very high89.2Confident29 Ų2950.4 Ų50.424%0.2427%0.274CS..Hα-helixtrans-63.3-43.9179.300000111.7I76 F78 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.14Å; I76-A80 PolarHBondContact O-N 3.44Å; F78-A80 PolarHBondContact O-N 3.13Å; A80-L84 VanDerWaalsContact O-CB 3.29Å; A80-L84 WeakPolarHBondContact O-CB 3.36Å; A80-L84 PolarHBondContact O-N 3.37Å; A80-A211 HydrophobicContact CB-CB 3.91Å
81T90.8Very high88.9Confident31 Ų3145.1 Ų45.119%0.1925%0.249CC..Hα-helixtrans-68.6-43.9179.352.60000111.8P27 I77 F78 N83 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.47Å; I77-T81 HydrophobicContact CG2-CG2 4.28Å; I77-T81 WeakPolarHBondContact O-CB 3Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.39Å; I77-T81 PolarHBondContact O-N 2.97Å; I77-T81 PolarHBondContact O-OG1 3.1Å; F78-T81 PolarHBondContact O-N 2.97Å; F78-T81 PolarHBondContact O-OG1 3.35Å; T81-N83 VanDerWaalsContact C-N 3.34Å; T81-N83 PolarHBondContact O-N 3.33Å; T81-L84 PolarHBondContact O-N 3.48Å; T81-L85 VanDerWaalsContact O-CB 3.27Å; T81-L85 WeakPolarHBondContact O-CB 3.26Å; T81-L85 VanDerWaalsContact O-CD1 3.31Å; T81-L85 WeakPolarHBondContact O-CD1 3.45Å; T81-L85 WeakPolarHBondContact O-CG 3.36Å; T81-L85 PolarHBondContact O-N 2.73Å
82T90.6Very high88.4Confident4 Ų443.9 Ų43.93%0.02524%0.242CC..Hα-helixtrans-62.1-40.417752.40000112.6P27 F78 I79 G86P27-T82 HydrophobicContact CB-CG2 4.26Å; P27-T82 HydrophobicContact CG-CG2 3.48Å; P27-T82 VanDerWaalsContact CG-CG2 3.48Å; F78-T82 HydrophobicContact CD2-CG2 4.33Å; F78-T82 HydrophobicContact CE1-CG2 4.19Å; F78-T82 HydrophobicContact CE2-CG2 3.95Å; F78-T82 HydrophobicContact CZ-CG2 3.88Å; F78-T82 WeakPolarHBondContact O-CG2 3.44Å; F78-T82 PolarHBondContact O-N 3.05Å; F78-T82 PolarHBondContact O-OG1 2.96Å; F78-T82 VanDerWaalsContact O-OG1 3.07Å; I79-T82 WeakPolarHBondContact CA-OG1 3.2Å; I79-T82 PolarHBondContact O-OG1 3.29Å; T82-G86 PolarHBondContact O-N 2.87Å; T82-G86 VanDerWaalsContact O-N 3.08Å
83N90.8Very high88.1Confident1 Ų144 Ų441%0.00524%0.243CC..Hα-helixtrans-71.1-41.3-179.8-66.5-10.2000111.4I79 T81 G86 L87 T95 L160 I164 A207I79-N83 WeakPolarHBondContact CG2-ND2 3.25Å; I79-N83 WeakPolarHBondContact O-CB 3.35Å; I79-N83 PolarHBondContact O-N 3.28Å; I79-N83 PolarHBondContact O-ND2 3.39Å; I79-N83 PolarHBondContact O-OD1 2.77Å; T81-N83 VanDerWaalsContact C-N 3.34Å; T81-N83 PolarHBondContact O-N 3.33Å; N83-G86 WeakPolarHBondContact O-CA 3.33Å; N83-G86 PolarHBondContact O-N 3.27Å; N83-G86 VanDerWaalsContact O-N 3.16Å; N83-L87 PolarHBondContact O-N 3.27Å; N83-T95 WeakPolarHBondContact OD1-CB 3.49Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.4Å; N83-T95 PolarHBondContact OD1-OG1 2.86Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.39Å; N83-I164 HydrophobicContact CB-CD1 4.27Å; N83-I164 VanDerWaalsContact CG-CD1 3.43Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.31Å; N83-A207 HydrophobicContact CB-CB 3.9Å; N83-A207 PolarHBondContact ND2-O 3.3Å
84L89.6Confident87.7Confident98 Ų9843.7 Ų43.751%0.51324%0.241SC..Hα-helixtrans-68.7-43.2-180-164.7110.2000112A80 T81 G86 L87 I204A80-L84 VanDerWaalsContact O-CB 3.29Å; A80-L84 WeakPolarHBondContact O-CB 3.36Å; A80-L84 PolarHBondContact O-N 3.37Å; T81-L84 PolarHBondContact O-N 3.48Å; L84-G86 PolarHBondContact O-N 3.43Å; L84-L87 PolarHBondContact O-N 3.31Å; L84-I204 HydrophobicContact CD1-CG2 4.39Å
85L89.5Confident87.4Confident36 Ų3640.6 Ų40.619%0.18822%0.22CC..Hα-helixtrans-56.3-34.8170.3-88.4153.6000111.7F26 P27 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD1 4.15Å; F26-L85 HydrophobicContact CD1-CD2 3.81Å; F26-L85 HydrophobicContact CE1-CD2 3.68Å; P27-L85 HydrophobicContact CB-CD1 3.87Å; P27-L85 HydrophobicContact CG-CD1 3.9Å; L30-L85 HydrophobicContact CD1-CD1 3.53Å; L30-L85 HydrophobicContact CD1-CD2 3.96Å; L30-L85 HydrophobicContact CD1-CG 3.97Å; T81-L85 VanDerWaalsContact O-CB 3.27Å; T81-L85 WeakPolarHBondContact O-CB 3.26Å; T81-L85 VanDerWaalsContact O-CD1 3.31Å; T81-L85 WeakPolarHBondContact O-CD1 3.45Å; T81-L85 WeakPolarHBondContact O-CG 3.36Å; T81-L85 PolarHBondContact O-N 2.73Å; L85-L87 VanDerWaalsContact C-N 3.31Å; L85-L87 PolarHBondContact O-N 3.32Å; L85-L88 HydrophobicContact CD2-CD1 4.11Å; L85-L88 VanDerWaalsContact O-CB 3.28Å; L85-L88 WeakPolarHBondContact O-CB 3.38Å; L85-L88 VanDerWaalsContact O-CG 3.32Å; L85-L88 WeakPolarHBondContact O-CG 3.46Å; L85-L88 PolarHBondContact O-N 3.43Å; L85-S91 PolarHBondContact O-OG 3.23Å
86G85.6Confident87.1Confident2 Ų240.1 Ų40.12%0.02122%0.218CC..Hα-helixtrans-62.3-30.817900000117T82 N83 L84 L88 S91 H168T82-G86 PolarHBondContact O-N 2.87Å; T82-G86 VanDerWaalsContact O-N 3.08Å; N83-G86 WeakPolarHBondContact O-CA 3.33Å; N83-G86 PolarHBondContact O-N 3.27Å; N83-G86 VanDerWaalsContact O-N 3.16Å; L84-G86 PolarHBondContact O-N 3.43Å; G86-L88 PolarHBondContact O-N 3.46Å; G86-S91 VanDerWaalsContact C-OG 3.26Å; G86-S91 WeakPolarHBondContact CA-OG 3.48Å; G86-S91 PolarHBondContact O-OG 3.46Å; G86-H168 PolarHBondContact O-CE1 3.02Å; G86-H168 PolarHBondContact O-NE2 2.94Å
87L86.6Confident87Confident37 Ų3742.4 Ų42.419%0.19423%0.228CC..THydrogen-bonded Turntrans-77-6.3179.8-61.7174.4000112.4N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 3.27Å; L84-L87 PolarHBondContact O-N 3.31Å; L85-L87 VanDerWaalsContact C-N 3.31Å; L85-L87 PolarHBondContact O-N 3.32Å; L87-M171 HydrophobicContact CD2-CE 3.96Å; L87-E203 HydrophobicContact CD1-CG 4.37Å; L87-E203 HydrophobicContact CD2-CB 4.2Å; L87-E203 HydrophobicContact CD2-CG 3.38Å; L87-I204 HydrophobicContact CD1-CB 4.22Å; L87-I204 HydrophobicContact CD1-CG1 3.63Å; L87-A207 HydrophobicContact CD1-CB 4.08Å
88L87.1Confident86.7Confident97 Ų9744.1 Ų44.151%0.50824%0.237SC..SBendtrans-66.5143.3174.5-65.3174.3000110.7L85 G86 H90 S91L85-L88 HydrophobicContact CD2-CD1 4.11Å; L85-L88 VanDerWaalsContact O-CB 3.28Å; L85-L88 WeakPolarHBondContact O-CB 3.38Å; L85-L88 VanDerWaalsContact O-CG 3.32Å; L85-L88 WeakPolarHBondContact O-CG 3.46Å; L85-L88 PolarHBondContact O-N 3.43Å; G86-L88 PolarHBondContact O-N 3.46Å; L88-H90 PolarHBondContact O-N 3.41Å; L88-S91 WeakPolarHBondContact O-CB 3.09Å; L88-S91 PolarHBondContact O-N 3.07Å; L88-S91 VanDerWaalsContact O-N 3.15Å; L88-S91 PolarHBondContact O-OG 3.11Å
89P82Confident86.6Confident113 Ų11345.8 Ų45.873%0.73426%0.255SS*.THydrogen-bonded Turntrans-58.5134.6-179.324.6-33.8000110.7S91P89-S91 PolarHBondContact O-N 3.48Å; P89-S91 VanDerWaalsContact O-N 3.1Å
90H81.9Confident86.4Confident204 Ų20447.7 Ų47.794%0.94426%0.264SS*.THydrogen-bonded Turntrans57.317-178.8-56.6-62.9000115.9L88L88-H90 PolarHBondContact O-N 3.41Å
91S83.8Confident86.3Confident36 Ų3646.3 Ų46.325%0.25225%0.253SS..  trans-80.9142.4171.672.80000111L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 3.23Å; G86-S91 VanDerWaalsContact C-OG 3.26Å; G86-S91 WeakPolarHBondContact CA-OG 3.48Å; G86-S91 PolarHBondContact O-OG 3.46Å; L88-S91 WeakPolarHBondContact O-CB 3.09Å; L88-S91 PolarHBondContact O-N 3.07Å; L88-S91 VanDerWaalsContact O-N 3.15Å; L88-S91 PolarHBondContact O-OG 3.11Å; P89-S91 PolarHBondContact O-N 3.48Å; P89-S91 VanDerWaalsContact O-N 3.1Å
92F81.6Confident86.1Confident28 Ų2846.8 Ų46.812%0.12325%0.254CS..  trans-89.7122.5171.5171.8-94.6000109.2S8 A11 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.07Å; A11-F92 HydrophobicContact CB-CZ 4.47Å; P12-F92 HydrophobicContact CG-CB 4.38Å; P12-F92 HydrophobicContact CG-CD1 4.11Å; P12-F92 HydrophobicContact CG-CD2 4.49Å; P12-F92 HydrophobicContact CG-CG 4.07Å; A20-F92 HydrophobicContact CB-CE1 4.35Å; I23-F92 HydrophobicContact CD1-CB 3.99Å; I23-F92 HydrophobicContact CD1-CD1 3.89Å; I23-F92 HydrophobicContact CD1-CG 4.33Å; I23-F92 HydrophobicContact CG2-CD1 4.5Å; I23-F92 WeakPolarHBondContact CG2-O 3.32Å; F92-P94 HydrophobicContact CE1-CB 4.47Å; F92-P94 WeakPolarHBondContact O-CD 3.43Å; F92-Q97 HydrophobicContact CZ-CG 4.17Å
93T83.5Confident86Confident4 Ų449.6 Ų49.63%0.02528%0.278CS..  trans-90.9111.6177.727.90000111.1T95 T96 I164T93-T95 PolarHBondContact O-N 3.05Å; T93-T96 PolarHBondContact O-N 3.31Å; T93-T96 PolarHBondContact O-OG1 3.15Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.06Å; T93-I164 HydrophobicContact CG2-CG2 4.26Å
94P81.6Confident85.7Confident9 Ų950.7 Ų50.76%0.05828%0.283CS..G310 helixtrans-63.7-23.9176.526.3-33.6000112.5I24 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.29Å; I24-P94 HydrophobicContact CG1-CB 3.72Å; I24-P94 HydrophobicContact CG1-CG 4.08Å; F92-P94 HydrophobicContact CE1-CB 4.47Å; F92-P94 WeakPolarHBondContact O-CD 3.43Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.18Å; P94-Q97 PolarHBondContact O-N 2.83Å; P94-M100 WeakPolarHBondContact O-CB 3.36Å
95T84.9Confident85.6Confident1 Ų146.1 Ų46.11%0.00626%0.26CS..G310 helixtrans-76.1-6.7179.451.20000114.5N83 T93 Q97 N101 L160 I164N83-T95 WeakPolarHBondContact OD1-CB 3.49Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.4Å; N83-T95 PolarHBondContact OD1-OG1 2.86Å; T93-T95 PolarHBondContact O-N 3.05Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; T95-N101 PolarHBondContact O-ND2 3.49Å; T95-L160 HydrophobicContact CG2-CD2 4.47Å; T95-I164 VanDerWaalsContact OG1-CD1 3.29Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.45Å
96T85.2Confident85.6Confident10 Ų1048.2 Ų48.26%0.06127%0.271CS..G310 helixtrans-74.6-26.7169.456.40000112.3F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.83Å; F9-T96 HydrophobicContact CE1-CG2 3.71Å; T93-T96 PolarHBondContact O-N 3.31Å; T93-T96 PolarHBondContact O-OG1 3.15Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.06Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.18Å; T96-L98 PolarHBondContact O-N 3.32Å; T96-T161 WeakPolarHBondContact O-CG2 3.49Å; T96-I164 HydrophobicContact CG2-CB 4.37Å; T96-I164 HydrophobicContact CG2-CG2 3.65Å; T96-T165 HydrophobicContact CG2-CG2 3.74Å
97Q88.3Confident85.7Confident66 Ų6652 Ų5231%0.30829%0.294SS..SBendtrans-78.4120.2178.3-65.9-63.5-28.400109.8F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 3.49Å; F92-Q97 HydrophobicContact CZ-CG 4.17Å; P94-Q97 PolarHBondContact O-N 2.83Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; Q97-S99 PolarHBondContact O-N 3.11Å; Q97-M100 PolarHBondContact O-N 3.33Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; Q97-N101 PolarHBondContact O-N 2.95Å
98L86.2Confident85.8Confident71 Ų7151 Ų5137%0.37229%0.289SS..Hα-helixtrans-57.7-33.5178.4-177.464000112T96 M100 N101 L102 A157 V158 T161T96-L98 PolarHBondContact O-N 3.32Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.25Å; L98-N101 PolarHBondContact O-N 3.36Å; L98-L102 VanDerWaalsContact O-CB 3.22Å; L98-L102 WeakPolarHBondContact O-CB 3.46Å; L98-L102 PolarHBondContact O-N 3.44Å; L98-A157 HydrophobicContact CD1-CB 4.31Å; L98-V158 HydrophobicContact CD1-CG2 3.89Å; L98-T161 VanDerWaalsContact CA-CG2 3.44Å; L98-T161 HydrophobicContact CB-CG2 4.03Å; L98-T161 HydrophobicContact CD1-CG2 4.03Å
99S87.6Confident85.8Confident84 Ų8448.2 Ų48.259%0.58727%0.272SS*.Hα-helixtrans-56.5-43.7176.655.80000112.6Q97 A103Q97-S99 PolarHBondContact O-N 3.11Å; S99-A103 WeakPolarHBondContact O-CB 3.4Å; S99-A103 PolarHBondContact O-N 3.42Å
100M87.3Confident85.9Confident40 Ų4044.1 Ų44.120%0.19725%0.247CC..Hα-helixtrans-67.6-46.4-179.6-176.558.5-172.400111.3I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-SD 4.46Å; I24-M100 HydrophobicContact CG2-CE 4.41Å; F78-M100 HydrophobicContact CE1-CE 3.84Å; F78-M100 HydrophobicContact CZ-CE 3.85Å; P94-M100 WeakPolarHBondContact O-CB 3.36Å; Q97-M100 PolarHBondContact O-N 3.33Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.25Å; M100-L102 VanDerWaalsContact C-N 3.34Å; M100-L102 PolarHBondContact O-N 3.48Å; M100-A103 PolarHBondContact O-N 3.19Å; M100-M104 HydrophobicContact CE-CE 4.25Å; M100-M104 HydrophobicContact CE-CG 4.28Å; M100-M104 HydrophobicContact CE-SD 3.99Å; M100-M104 HydrophobicContact CG-CE 4.05Å; M100-M104 WeakPolarHBondContact O-CG 3.17Å; M100-M104 PolarHBondContact O-N 2.89Å
101N88Confident86.1Confident0 Ų035.4 Ų35.40%021%0.213CC..Hα-helixtrans-67.4-37.9-178.9-66.6-8.5000111.9T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.49Å; Q97-N101 PolarHBondContact O-N 2.95Å; L98-N101 PolarHBondContact O-N 3.36Å; N101-M104 PolarHBondContact O-N 3.37Å; N101-M104 WeakPolarHBondContact OD1-CE 3.48Å; N101-A105 WeakPolarHBondContact O-CB 3.43Å; N101-A105 PolarHBondContact O-N 3.05Å; N101-A157 HydrophobicContact CB-CB 3.9Å; N101-A157 PolarHBondContact ND2-O 3.25Å; N101-L160 HydrophobicContact CB-CD2 4.36Å; N101-L160 VanDerWaalsContact CG-CD2 3.46Å; N101-L160 WeakPolarHBondContact ND2-CB 3.36Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.31Å; N101-L160 VanDerWaalsContact ND2-CG 3.33Å; N101-L160 WeakPolarHBondContact ND2-CG 3.46Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.37Å; N101-T161 HydrophobicContact CB-CG2 4.29Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.46Å; N101-T161 PolarHBondContact ND2-N 3.37Å
102L85.9Confident86.1Confident41 Ų4133.7 Ų33.722%0.21520%0.201CC..Hα-helixtrans-69.8-38.8177-161.771000111.4L98 M100 M104 A105 I106 M154 A157L98-L102 VanDerWaalsContact O-CB 3.22Å; L98-L102 WeakPolarHBondContact O-CB 3.46Å; L98-L102 PolarHBondContact O-N 3.44Å; M100-L102 VanDerWaalsContact C-N 3.34Å; M100-L102 PolarHBondContact O-N 3.48Å; L102-M104 PolarHBondContact O-N 3.18Å; L102-A105 PolarHBondContact O-N 3.43Å; L102-I106 HydrophobicContact CD1-CD1 3.88Å; L102-I106 HydrophobicContact CD1-CG1 4.01Å; L102-I106 HydrophobicContact CD2-CD1 3.93Å; L102-I106 HydrophobicContact CG-CD1 3.51Å; L102-I106 HydrophobicContact CG-CG1 3.98Å; L102-I106 WeakPolarHBondContact O-CG1 3.48Å; L102-I106 PolarHBondContact O-N 3.39Å; L102-M154 HydrophobicContact CD1-SD 4.02Å; L102-A157 HydrophobicContact CB-CB 4.42Å; L102-A157 HydrophobicContact CD1-CB 4.05Å
103A88.9Confident86.2Confident64 Ų6433.1 Ų33.153%0.52920%0.2SC..Hα-helixtrans-63-29.1173.600000112.9S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.4Å; S99-A103 PolarHBondContact O-N 3.42Å; M100-A103 PolarHBondContact O-N 3.19Å; A103-P107 WeakPolarHBondContact O-CD 3.32Å; A103-P107 WeakPolarHBondContact O-CG 3.22Å
104M85.8Confident86.2Confident23 Ų2337.6 Ų37.611%0.11322%0.222CC..Hα-helixtrans-79.3-45.3170.9-68.9-175.8-72.500112.2F78 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.93Å; F78-M104 HydrophobicContact CE1-SD 3.61Å; M100-M104 HydrophobicContact CE-CE 4.25Å; M100-M104 HydrophobicContact CE-CG 4.28Å; M100-M104 HydrophobicContact CE-SD 3.99Å; M100-M104 HydrophobicContact CG-CE 4.05Å; M100-M104 WeakPolarHBondContact O-CG 3.17Å; M100-M104 PolarHBondContact O-N 2.89Å; N101-M104 PolarHBondContact O-N 3.37Å; N101-M104 WeakPolarHBondContact OD1-CE 3.48Å; L102-M104 PolarHBondContact O-N 3.18Å; M104-L108 WeakPolarHBondContact O-CD1 3.34Å; M104-L108 WeakPolarHBondContact O-CG 3.45Å
105A86.9Confident86.2Confident3 Ų339.3 Ų39.33%0.02523%0.23CC..Hα-helixtrans-70.8-44.9-171.800000113.5N101 L102 L108 W109 P153 A157 F214N101-A105 WeakPolarHBondContact O-CB 3.43Å; N101-A105 PolarHBondContact O-N 3.05Å; L102-A105 PolarHBondContact O-N 3.43Å; A105-L108 PolarHBondContact O-N 2.84Å; A105-W109 WeakPolarHBondContact O-CB 3.43Å; A105-W109 PolarHBondContact O-N 2.7Å; A105-P153 HydrophobicContact CB-CB 4.5Å; A105-A157 HydrophobicContact CB-CB 4.26Å; A105-F214 HydrophobicContact CB-CE2 4.39Å; A105-F214 HydrophobicContact CB-CZ 4.08Å
106I88.3Confident85.8Confident80 Ų8039.3 Ų39.341%0.4123%0.231SC..Hα-helixtrans-62.4-50-174.8-66.5176.5000111.9L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.88Å; L102-I106 HydrophobicContact CD1-CG1 4.01Å; L102-I106 HydrophobicContact CD2-CD1 3.93Å; L102-I106 HydrophobicContact CG-CD1 3.51Å; L102-I106 HydrophobicContact CG-CG1 3.98Å; L102-I106 WeakPolarHBondContact O-CG1 3.48Å; L102-I106 PolarHBondContact O-N 3.39Å; I106-L108 VanDerWaalsContact C-N 3.35Å; I106-L108 PolarHBondContact O-N 2.99Å; I106-W109 PolarHBondContact O-N 2.96Å; I106-A110 WeakPolarHBondContact O-CB 3.38Å; I106-A110 PolarHBondContact O-N 3.06Å
107P89.5Confident85.4Confident80 Ų8042.5 Ų42.552%0.51924%0.244SC..Hα-helixtrans-64.9-37.1-178.4-24.136.6000113.2A103 G111A103-P107 WeakPolarHBondContact O-CD 3.32Å; A103-P107 WeakPolarHBondContact O-CG 3.22Å; P107-G111 PolarHBondContact O-N 3.16Å
108L88Confident84.8Confident17 Ų1749.7 Ų49.79%0.08927%0.268CS..Hα-helixtrans-66-46.8178.4-69.3169.9000111.6M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.29Å; M71-L108 HydrophobicContact CG-CD2 4.27Å; M71-L108 HydrophobicContact SD-CD2 3.43Å; M71-L108 WeakPolarHBondContact SD-CD2 3.42Å; L75-L108 HydrophobicContact CD1-CD1 3.45Å; L75-L108 VanDerWaalsContact CD1-CD1 3.45Å; L75-L108 HydrophobicContact CD1-CD2 4.46Å; L75-L108 HydrophobicContact CD2-CD1 3.79Å; L75-L108 HydrophobicContact CG-CD1 4.27Å; M104-L108 WeakPolarHBondContact O-CD1 3.34Å; M104-L108 WeakPolarHBondContact O-CG 3.45Å; A105-L108 PolarHBondContact O-N 2.84Å; I106-L108 VanDerWaalsContact C-N 3.35Å; I106-L108 PolarHBondContact O-N 2.99Å; L108-G111 PolarHBondContact O-N 2.92Å; L108-A112 PolarHBondContact O-N 3.26Å; L108-A112 VanDerWaalsContact O-N 3.07Å; L108-F214 HydrophobicContact CD1-CE1 4.1Å; L108-V218 HydrophobicContact CB-CG1 4.37Å
109W86.4Confident84Confident39 Ų3948.5 Ų48.515%0.14827%0.266CS..Hα-helixtrans-63.7-47.4175.8171.790.2000111.3A105 I106 G111 A112 V113 L149 L150 P153A105-W109 WeakPolarHBondContact O-CB 3.43Å; A105-W109 PolarHBondContact O-N 2.7Å; I106-W109 PolarHBondContact O-N 2.96Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 2.95Å; W109-A112 PolarHBondContact O-N 3.15Å; W109-A112 VanDerWaalsContact O-N 3.15Å; W109-V113 HydrophobicContact CD2-CG2 4.1Å; W109-V113 HydrophobicContact CH2-CG2 4.47Å; W109-V113 HydrophobicContact CZ2-CG2 3.98Å; W109-V113 WeakPolarHBondContact O-CG2 3.39Å; W109-V113 PolarHBondContact O-N 3.33Å; W109-L149 HydrophobicContact CH2-CD2 4.13Å; W109-L149 HydrophobicContact CZ2-CD2 3.41Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.41Å; W109-L149 HydrophobicContact CZ2-CG 3.93Å; W109-L149 VanDerWaalsContact CZ2-O 3.3Å; W109-L149 WeakPolarHBondContact CZ2-O 3.39Å; W109-L149 PolarHBondContact NE1-O 3.49Å; W109-L149 VanDerWaalsContact NE1-O 3.17Å; W109-L150 HydrophobicContact CH2-CD2 3.7Å; W109-L150 HydrophobicContact CZ2-CD2 4.21Å; W109-P153 HydrophobicContact CB-CB 3.91Å; W109-P153 HydrophobicContact CB-CG 4.35Å; W109-P153 HydrophobicContact CD2-CB 4.35Å; W109-P153 HydrophobicContact CD2-CG 3.82Å; W109-P153 HydrophobicContact CE3-CG 4.35Å; W109-P153 HydrophobicContact CG-CB 3.87Å; W109-P153 HydrophobicContact CG-CG 3.79Å
110A85.4Confident83.1Confident26 Ų2648.9 Ų48.922%0.21526%0.257CS..Hα-helixtrans-60.7-41178.900000110.9I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.38Å; I106-A110 PolarHBondContact O-N 3.06Å; A110-V113 PolarHBondContact O-N 3.17Å; A110-I114 VanDerWaalsContact O-CB 3.29Å; A110-I114 WeakPolarHBondContact O-CB 2.97Å; A110-I114 WeakPolarHBondContact O-CD1 3.36Å; A110-I114 WeakPolarHBondContact O-CG1 3.09Å; A110-I114 PolarHBondContact O-N 3.46Å
111G85.8Confident82Confident21 Ų2152.2 Ų52.222%0.21627%0.274CS..Hα-helixtrans-59.6-45.5174.600000113.1P107 L108 W109 M115P107-G111 PolarHBondContact O-N 3.16Å; L108-G111 PolarHBondContact O-N 2.92Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 2.95Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.29Å; G111-M115 PolarHBondContact O-N 2.82Å
112A83.4Confident80.8Confident1 Ų161.3 Ų61.31%0.00831%0.314CS..Hα-helixtrans-63.2-45.817700000111.9L108 W109 M115 G116 L222L108-A112 PolarHBondContact O-N 3.26Å; L108-A112 VanDerWaalsContact O-N 3.07Å; W109-A112 PolarHBondContact O-N 3.15Å; W109-A112 VanDerWaalsContact O-N 3.15Å; A112-M115 PolarHBondContact O-N 3.4Å; A112-G116 PolarHBondContact O-N 3.23Å; A112-L222 HydrophobicContact CB-CD1 4.42Å
113V82.9Confident79.8Confident15 Ų1564.2 Ų64.29%0.09133%0.33CS..Hα-helixtrans-64.9-46.8179.1172.60000111.4W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.1Å; W109-V113 HydrophobicContact CH2-CG2 4.47Å; W109-V113 HydrophobicContact CZ2-CG2 3.98Å; W109-V113 WeakPolarHBondContact O-CG2 3.39Å; W109-V113 PolarHBondContact O-N 3.33Å; A110-V113 PolarHBondContact O-N 3.17Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.09Å; V113-G116 PolarHBondContact O-N 3.22Å; V113-G116 VanDerWaalsContact O-N 3.14Å; V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.37Å; V113-F117 WeakPolarHBondContact O-CD2 3.4Å; V113-F117 PolarHBondContact O-N 3.3Å
114I84.1Confident78.6Confident98 Ų9862 Ų6250%0.50331%0.311SS..Hα-helixtrans-61-39.7177-68.4163.8000110.5A110 G116 F117 R118A110-I114 VanDerWaalsContact O-CB 3.29Å; A110-I114 WeakPolarHBondContact O-CB 2.97Å; A110-I114 WeakPolarHBondContact O-CD1 3.36Å; A110-I114 WeakPolarHBondContact O-CG1 3.09Å; A110-I114 PolarHBondContact O-N 3.46Å; I114-G116 VanDerWaalsContact C-N 3.35Å; I114-F117 PolarHBondContact O-N 3.24Å; I114-R118 HydrophobicContact CG2-CG 4.44Å; I114-R118 WeakPolarHBondContact O-CB 3.29Å; I114-R118 VanDerWaalsContact O-CG 3.32Å; I114-R118 WeakPolarHBondContact O-CG 3.47Å; I114-R118 PolarHBondContact O-N 3.02Å
115M80.8Confident77.4Confident46 Ų4665.4 Ų65.423%0.22733%0.329CS..Hα-helixtrans-65.2-38.3176.2-172.5171.4-179.500112.1W68 G111 A112 V113 R118 S119 L222 T226W68-M115 HydrophobicContact CZ2-SD 4Å; W68-M115 PolarHBondContact NE1-SD 2.81Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.29Å; G111-M115 PolarHBondContact O-N 2.82Å; A112-M115 PolarHBondContact O-N 3.4Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.09Å; M115-R118 PolarHBondContact O-N 3.02Å; M115-S119 WeakPolarHBondContact O-CB 3.44Å; M115-S119 PolarHBondContact O-N 3.19Å; M115-S119 PolarHBondContact O-OG 3.11Å; M115-L222 HydrophobicContact SD-CD1 4.21Å; M115-T226 HydrophobicContact CE-CG2 4.44Å
116G76.3Confident76.2Confident1 Ų167.9 Ų67.91%0.0135%0.35CS..Hα-helixtrans-62.1-50.3173.700000112.9A112 V113 I114 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 3.23Å; V113-G116 PolarHBondContact O-N 3.22Å; V113-G116 VanDerWaalsContact O-N 3.14Å; I114-G116 VanDerWaalsContact C-N 3.35Å; G116-R118 VanDerWaalsContact C-N 3.3Å; G116-R118 PolarHBondContact O-N 2.7Å; G116-S119 PolarHBondContact O-N 3.17Å; G116-S119 PolarHBondContact O-OG 3.34Å; G116-K120 PolarHBondContact O-N 2.88Å; G116-N225 WeakPolarHBondContact CA-O 3.27Å
117F77.7Confident75.1Confident77 Ų7769.4 Ų69.434%0.33836%0.355SS..Hα-helixtrans-59.4-40.3174.9-77.8-65.5000112.1V113 I114 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.37Å; V113-F117 WeakPolarHBondContact O-CD2 3.4Å; V113-F117 PolarHBondContact O-N 3.3Å; I114-F117 PolarHBondContact O-N 3.24Å; F117-I121 WeakPolarHBondContact O-CG1 3.38Å; F117-A124 HydrophobicContact CD1-CB 4.31Å; F117-A124 HydrophobicContact CE1-CB 4.4Å; F117-L125 HydrophobicContact CD1-CD1 4.14Å; F117-L125 HydrophobicContact CE1-CD1 3.74Å; F117-F128 HydrophobicContact CZ-CE2 4.36Å
118R76.4Confident73.8Confident217 Ų21767.3 Ų67.382%0.81934%0.338SS*.Hα-helixtrans-70.3-34.1178.9-74.2-178.470.5-168.72.3113.7I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.44Å; I114-R118 WeakPolarHBondContact O-CB 3.29Å; I114-R118 VanDerWaalsContact O-CG 3.32Å; I114-R118 WeakPolarHBondContact O-CG 3.47Å; I114-R118 PolarHBondContact O-N 3.02Å; M115-R118 PolarHBondContact O-N 3.02Å; G116-R118 VanDerWaalsContact C-N 3.3Å; G116-R118 PolarHBondContact O-N 2.7Å
119S68.2Low72.5Confident46 Ų4669.2 Ų69.232%0.32235%0.348SS..Hα-helixtrans-88.8-39.4-172.673.70000113.4M115 G116M115-S119 WeakPolarHBondContact O-CB 3.44Å; M115-S119 PolarHBondContact O-N 3.19Å; M115-S119 PolarHBondContact O-OG 3.11Å; G116-S119 PolarHBondContact O-N 3.17Å; G116-S119 PolarHBondContact O-OG 3.34Å
120K69.6Low71.3Confident92 Ų9270.7 Ų70.740%0.436%0.362SS..  trans-147.472.3-177.1-66.8176.2-177.3157.70111.4G116 K122 N123 A124 T226G116-K120 PolarHBondContact O-N 2.88Å; K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 3.07Å; K120-K122 VanDerWaalsContact O-N 3.17Å; K120-N123 HydrophobicContact CB-CB 3.93Å; K120-N123 HydrophobicContact CD-CB 4.26Å; K120-N123 PolarHBondContact O-N 2.97Å; K120-N123 VanDerWaalsContact O-N 3.1Å; K120-A124 WeakPolarHBondContact O-CB 3.27Å; K120-A124 PolarHBondContact O-N 2.97Å; K120-T226 WeakPolarHBondContact CE-O 3.46Å; K120-T226 VanDerWaalsContact NZ-C 3.32Å; K120-T226 PolarHBondContact NZ-O 3.35Å; K120-T226 PolarHBondContact NZ-OXT 3.44Å; K120-T226 VanDerWaalsContact NZ-OXT 3.15Å
121I64.3Low70.1Confident110 Ų11079.1 Ų79.156%0.56440%0.397SS*.Hα-helixtrans-47-49177.3-60.4171000111.7F117 N123 L125F117-I121 WeakPolarHBondContact O-CG1 3.38Å; I121-N123 PolarHBondContact O-N 2.98Å; I121-L125 HydrophobicContact CG2-CD1 3.82Å; I121-L125 WeakPolarHBondContact O-CD1 3.19Å; I121-L125 PolarHBondContact O-N 2.9Å
122K62.2Low69Low190 Ų19082 Ų8283%0.82643%0.427SS*.Hα-helixtrans-66.3-37.3-176.1-64.3-175.1-179.4-176.90113.5K120 A126K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 3.07Å; K120-K122 VanDerWaalsContact O-N 3.17Å; K122-A126 VanDerWaalsContact O-CB 3.26Å; K122-A126 WeakPolarHBondContact O-CB 3.34Å; K122-A126 PolarHBondContact O-N 3.48Å
123N65.6Low68.3Low103 Ų10383.5 Ų83.555%0.55144%0.436SS*.Hα-helixtrans-79.3-35.6-177.8-146.161.3000111.3K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.93Å; K120-N123 HydrophobicContact CD-CB 4.26Å; K120-N123 PolarHBondContact O-N 2.97Å; K120-N123 VanDerWaalsContact O-N 3.1Å; I121-N123 PolarHBondContact O-N 2.98Å; N123-A126 PolarHBondContact O-N 2.92Å; N123-H127 PolarHBondContact O-N 2.94Å; N123-H127 VanDerWaalsContact O-N 3.11Å
124A62.2Low67.9Low17 Ų1786.4 Ų86.414%0.1446%0.455CS..Hα-helixtrans-63.3-43.1172.700000111.6F117 K120 H127F117-A124 HydrophobicContact CD1-CB 4.31Å; F117-A124 HydrophobicContact CE1-CB 4.4Å; K120-A124 WeakPolarHBondContact O-CB 3.27Å; K120-A124 PolarHBondContact O-N 2.97Å; A124-H127 PolarHBondContact O-N 3.27Å
125L62.3Low67.5Low94 Ų9487.4 Ų87.449%0.49247%0.466SS..Hα-helixtrans-70.4-31.9174.6-87.482.6000112.8F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.14Å; F117-L125 HydrophobicContact CE1-CD1 3.74Å; I121-L125 HydrophobicContact CG2-CD1 3.82Å; I121-L125 WeakPolarHBondContact O-CD1 3.19Å; I121-L125 PolarHBondContact O-N 2.9Å; L125-H127 VanDerWaalsContact C-N 3.29Å; L125-H127 PolarHBondContact O-N 3.46Å; L125-F128 WeakPolarHBondContact O-CB 3.23Å; L125-F128 PolarHBondContact O-N 2.75Å
126A61.5Low67.5Low55 Ų5590.1 Ų90.146%0.45549%0.487SS..Hα-helixtrans-67.9-27.8176.500000112.7K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.26Å; K122-A126 WeakPolarHBondContact O-CB 3.34Å; K122-A126 PolarHBondContact O-N 3.48Å; N123-A126 PolarHBondContact O-N 2.92Å; A126-F128 PolarHBondContact O-N 3.41Å; A126-L129 CarbonylContact O-C 3.59Å; A126-L129 PolarHBondContact O-N 3.34Å
127H63.9Low67.6Low112 Ų11295.1 Ų95.152%0.51951%0.513SS..THydrogen-bonded Turntrans-65.3-22.3175-162.9-65.8000112.8N123 A124 L125 L129N123-H127 PolarHBondContact O-N 2.94Å; N123-H127 VanDerWaalsContact O-N 3.11Å; A124-H127 PolarHBondContact O-N 3.27Å; L125-H127 VanDerWaalsContact C-N 3.29Å; L125-H127 PolarHBondContact O-N 3.46Å; H127-L129 PolarHBondContact O-N 3.42Å
128F61.8Low67.7Low36 Ų3693.9 Ų93.916%0.15851%0.509CS..THydrogen-bonded Turntrans-68.5-11.9173.3-67.2-54.9000113.4F117 L125 A126 L141 E145 T146 L149F117-F128 HydrophobicContact CZ-CE2 4.36Å; L125-F128 WeakPolarHBondContact O-CB 3.23Å; L125-F128 PolarHBondContact O-N 2.75Å; A126-F128 PolarHBondContact O-N 3.41Å; F128-L141 WeakPolarHBondContact O-CD2 3.37Å; F128-E145 HydrophobicContact CD1-CB 4.25Å; F128-E145 HydrophobicContact CD1-CG 3.82Å; F128-T146 HydrophobicContact CD1-CG2 4.29Å; F128-T146 HydrophobicContact CE1-CG2 4.09Å; F128-L149 HydrophobicContact CE1-CD1 4.39Å
129L62.1Low67.8Low58 Ų5887.5 Ų87.530%0.30450%0.496SS..SBendtrans-131106.8-179-137.377000111.6A126 H127 Q131 I138 L141 V142A126-L129 CarbonylContact O-C 3.59Å; A126-L129 PolarHBondContact O-N 3.34Å; H127-L129 PolarHBondContact O-N 3.42Å; L129-Q131 PolarHBondContact O-N 3Å; L129-I138 HydrophobicContact CD1-CB 4.45Å; L129-I138 HydrophobicContact CD1-CG2 3.76Å; L129-I138 HydrophobicContact CD2-CD1 4.16Å; L129-I138 HydrophobicContact CD2-CG1 4.22Å; L129-I138 HydrophobicContact CD2-CG2 4.08Å; L129-L141 HydrophobicContact CD1-CD2 4.44Å; L129-V142 HydrophobicContact CD1-CG2 3.45Å; L129-V142 VanDerWaalsContact CD1-CG2 3.45Å
130P60.4Low68.5Low69 Ų6990.9 Ų90.945%0.44851%0.508SS..  trans-62.5138.4171.721.2-24000109.8G132 T133 L141P130-G132 PolarHBondContact O-N 2.95Å; P130-T133 HydrophobicContact CG-CG2 3.75Å; P130-T133 WeakPolarHBondContact O-CG2 2.98Å; P130-L141 HydrophobicContact CG-CD1 3.92Å; P130-L141 HydrophobicContact CG-CD2 4.04Å
131Q60.4Low69.2Low203 Ų20388.8 Ų88.895%0.94950%0.501SS*.THydrogen-bonded Turntrans-64.8129-177.5-62.9-164.3-100110.4L129L129-Q131 PolarHBondContact O-N 3Å
132G62.2Low70Confident81 Ų8186 Ų8684%0.83549%0.489SS*.THydrogen-bonded Turntrans100.910.6176.400000116.1P130P130-G132 PolarHBondContact O-N 2.95Å
133T69.9Low71.1Confident33 Ų3381.2 Ų81.220%0.20247%0.471CS..  trans-72.2134.1175.9540000112.2P130 L141P130-T133 HydrophobicContact CG-CG2 3.75Å; P130-T133 WeakPolarHBondContact O-CG2 2.98Å; T133-L141 HydrophobicContact CG2-CD1 3.89Å
134P73.4Confident72Confident76 Ų7680.7 Ų80.749%0.49447%0.468SS..  trans-65.5140.6176.729.1-35.2000110.8P136 L137P134-P136 VanDerWaalsContact C-N 3.34Å; P134-P136 WeakPolarHBondContact O-CD 3.38Å; P134-P136 VanDerWaalsContact O-N 3.11Å; P134-L137 HydrophobicContact CG-CB 4.41Å; P134-L137 HydrophobicContact CG-CD1 3.74Å; P134-L137 HydrophobicContact CG-CG 4.22Å; P134-L137 PolarHBondContact O-N 3.39Å
135T75.3Confident73.1Confident119 Ų11982.7 Ų82.773%0.7347%0.474SS*.THydrogen-bonded Turntrans-49.4-34.7-171.947.80000116.9I138T135-I138 HydrophobicContact CG2-CD1 4.43Å
136P81.7Confident73.9Confident103 Ų10380.7 Ų80.767%0.66947%0.466SS*.THydrogen-bonded Turntrans-76.4-21.617926.9-33.8000114.7P134P134-P136 VanDerWaalsContact C-N 3.34Å; P134-P136 WeakPolarHBondContact O-CD 3.38Å; P134-P136 VanDerWaalsContact O-N 3.11Å
137L79.3Confident75.1Confident106 Ų10682 Ų8256%0.55547%0.465SS*.THydrogen-bonded Turntrans-88.6-11.7-178-66.4176.8000113.3P134 M140 L141P134-L137 HydrophobicContact CG-CB 4.41Å; P134-L137 HydrophobicContact CG-CD1 3.74Å; P134-L137 HydrophobicContact CG-CG 4.22Å; P134-L137 PolarHBondContact O-N 3.39Å; L137-M140 PolarHBondContact O-N 3.3Å; L137-L141 PolarHBondContact O-N 3.3Å; L137-L141 VanDerWaalsContact O-N 3.12Å
138I78.6Confident76Confident51 Ų5179.2 Ų79.226%0.26246%0.458SS..Hα-helixtrans-53.4-49.7-177.4-68.1178000112.4L129 T135 M140 L141 V142L129-I138 HydrophobicContact CD1-CB 4.45Å; L129-I138 HydrophobicContact CD1-CG2 3.76Å; L129-I138 HydrophobicContact CD2-CD1 4.16Å; L129-I138 HydrophobicContact CD2-CG1 4.22Å; L129-I138 HydrophobicContact CD2-CG2 4.08Å; T135-I138 HydrophobicContact CG2-CD1 4.43Å; I138-M140 VanDerWaalsContact C-N 3.34Å; I138-M140 PolarHBondContact O-N 3.06Å; I138-L141 PolarHBondContact O-N 3.07Å; I138-V142 WeakPolarHBondContact O-CG2 3.45Å; I138-V142 PolarHBondContact O-N 3.45Å; I138-V142 VanDerWaalsContact O-N 3.17Å
139P79Confident77Confident84 Ų8479.6 Ų79.655%0.54546%0.461SS..Hα-helixtrans-65.4-37.3-175-20.833.8000112.9I143P139-I143 WeakPolarHBondContact O-CG1 3.22Å; P139-I143 PolarHBondContact O-N 3.37Å
140M82.6Confident77.9Confident116 Ų11682 Ų8257%0.57147%0.473SS*.Hα-helixtrans-70.1-40.3179.6-173.462.9-173.100111.5L137 I138 I143 I144L137-M140 PolarHBondContact O-N 3.3Å; I138-M140 VanDerWaalsContact C-N 3.34Å; I138-M140 PolarHBondContact O-N 3.06Å; M140-I143 PolarHBondContact O-N 2.98Å; M140-I144 HydrophobicContact CE-CD1 4Å; M140-I144 HydrophobicContact CE-CG1 4.18Å; M140-I144 HydrophobicContact CG-CD1 4.11Å; M140-I144 WeakPolarHBondContact O-CG1 3.3Å; M140-I144 PolarHBondContact O-N 3.47Å; M140-I144 VanDerWaalsContact O-N 3.11Å
141L84.5Confident79.1Confident49 Ų4983.2 Ų83.226%0.25748%0.475SS..Hα-helixtrans-66.4-41-178.9-169.7148.9000111.9F128 L129 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 3.37Å; L129-L141 HydrophobicContact CD1-CD2 4.44Å; P130-L141 HydrophobicContact CG-CD1 3.92Å; P130-L141 HydrophobicContact CG-CD2 4.04Å; T133-L141 HydrophobicContact CG2-CD1 3.89Å; L137-L141 PolarHBondContact O-N 3.3Å; L137-L141 VanDerWaalsContact O-N 3.12Å; I138-L141 PolarHBondContact O-N 3.07Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 2.91Å; L141-I144 PolarHBondContact O-N 3.42Å; L141-E145 PolarHBondContact O-N 3.22Å
142V81.1Confident80.2Confident50 Ų5076.9 Ų76.930%0.30345%0.446SS..Hα-helixtrans-59.5-42.8175.9174.60000110.9L129 I138 I144 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.45Å; L129-V142 VanDerWaalsContact CD1-CG2 3.45Å; I138-V142 WeakPolarHBondContact O-CG2 3.45Å; I138-V142 PolarHBondContact O-N 3.45Å; I138-V142 VanDerWaalsContact O-N 3.17Å; V142-I144 PolarHBondContact O-N 3.47Å; V142-E145 PolarHBondContact O-N 3.42Å; V142-T146 HydrophobicContact CG1-CG2 4.36Å; V142-T146 VanDerWaalsContact O-CG2 3.27Å; V142-T146 WeakPolarHBondContact O-CG2 3.07Å; V142-T146 PolarHBondContact O-N 3.47Å; V142-T146 PolarHBondContact O-OG1 3.29Å
143I84.8Confident81Confident90 Ų9073.4 Ų73.446%0.46241%0.409SS..Hα-helixtrans-61.1-47.5177.2-66.4167.3000110.4P139 M140 L141 E145 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.22Å; P139-I143 PolarHBondContact O-N 3.37Å; M140-I143 PolarHBondContact O-N 2.98Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 2.91Å; I143-E145 VanDerWaalsContact C-N 3.34Å; I143-E145 PolarHBondContact O-N 3.16Å; I143-T146 PolarHBondContact O-N 2.67Å; I143-T146 PolarHBondContact O-OG1 2.9Å; I143-I147 HydrophobicContact CG2-CD1 3.77Å; I143-I147 VanDerWaalsContact O-CG1 3.3Å; I143-I147 WeakPolarHBondContact O-CG1 3.37Å; I143-I147 PolarHBondContact O-N 2.98Å
144I85.6Confident81.6Confident93 Ų9376.3 Ų76.348%0.47742%0.421SS..Hα-helixtrans-61.8-43.2179.6-64.7165.4000111.1M140 L141 V142 I147 S148M140-I144 HydrophobicContact CE-CD1 4Å; M140-I144 HydrophobicContact CE-CG1 4.18Å; M140-I144 HydrophobicContact CG-CD1 4.11Å; M140-I144 WeakPolarHBondContact O-CG1 3.3Å; M140-I144 PolarHBondContact O-N 3.47Å; M140-I144 VanDerWaalsContact O-N 3.11Å; L141-I144 PolarHBondContact O-N 3.42Å; V142-I144 PolarHBondContact O-N 3.47Å; I144-I147 PolarHBondContact O-N 2.84Å; I144-S148 WeakPolarHBondContact O-CB 3.32Å; I144-S148 PolarHBondContact O-N 3.19Å
145E83.7Confident82.2Confident58 Ų5874.7 Ų74.727%0.27141%0.414SS..Hα-helixtrans-66.8-40-179.5-16762.2-162.500111.7F128 L141 V142 I143 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.25Å; F128-E145 HydrophobicContact CD1-CG 3.82Å; L141-E145 PolarHBondContact O-N 3.22Å; V142-E145 PolarHBondContact O-N 3.42Å; I143-E145 VanDerWaalsContact C-N 3.34Å; I143-E145 PolarHBondContact O-N 3.16Å; E145-I147 VanDerWaalsContact C-N 3.32Å; E145-I147 PolarHBondContact O-N 3.14Å; E145-S148 WeakPolarHBondContact O-CB 3.18Å; E145-S148 PolarHBondContact O-N 3.3Å; E145-L149 WeakPolarHBondContact O-CB 3.07Å; E145-L149 PolarHBondContact O-N 2.85Å
146T81Confident82.4Confident52 Ų5269.3 Ų69.332%0.31938%0.381SS..Hα-helixtrans-62.5-38.5173.959.70000112.3F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.29Å; F128-T146 HydrophobicContact CE1-CG2 4.09Å; V142-T146 HydrophobicContact CG1-CG2 4.36Å; V142-T146 VanDerWaalsContact O-CG2 3.27Å; V142-T146 WeakPolarHBondContact O-CG2 3.07Å; V142-T146 PolarHBondContact O-N 3.47Å; V142-T146 PolarHBondContact O-OG1 3.29Å; I143-T146 PolarHBondContact O-N 2.67Å; I143-T146 PolarHBondContact O-OG1 2.9Å; T146-L150 WeakPolarHBondContact O-CG 3.01Å; T146-L150 PolarHBondContact O-N 3.08Å
147I85.3Confident82.5Confident84 Ų8464.4 Ų64.443%0.43135%0.349SS..Hα-helixtrans-68.3-43.4175.3-67.6167.2000110.6I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.77Å; I143-I147 VanDerWaalsContact O-CG1 3.3Å; I143-I147 WeakPolarHBondContact O-CG1 3.37Å; I143-I147 PolarHBondContact O-N 2.98Å; I144-I147 PolarHBondContact O-N 2.84Å; E145-I147 VanDerWaalsContact C-N 3.32Å; E145-I147 PolarHBondContact O-N 3.14Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 3.16Å; I147-L150 PolarHBondContact O-N 2.84Å; I147-L150 VanDerWaalsContact O-N 3.15Å; 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 3.49Å; I147-I151 PolarHBondContact O-N 3.34Å
148S83.6Confident82.8Confident53 Ų5362.4 Ų62.437%0.37134%0.341SS..Hα-helixtrans-57.2-46.1177.6-176.90000111.8I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.32Å; I144-S148 PolarHBondContact O-N 3.19Å; E145-S148 WeakPolarHBondContact O-CB 3.18Å; E145-S148 PolarHBondContact O-N 3.3Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.48Å; S148-I151 PolarHBondContact O-N 3.31Å; S148-Q152 PolarHBondContact O-N 3.05Å; S148-Q152 VanDerWaalsContact O-N 3.15Å
149L82.1Confident83.2Confident43 Ų4364.7 Ų64.723%0.22535%0.346CS..Hα-helixtrans-61.3-35.8177.5-174.9125.4000112.2W109 F128 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.13Å; W109-L149 HydrophobicContact CZ2-CD2 3.41Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.41Å; W109-L149 HydrophobicContact CZ2-CG 3.93Å; W109-L149 VanDerWaalsContact CZ2-O 3.3Å; W109-L149 WeakPolarHBondContact CZ2-O 3.39Å; W109-L149 PolarHBondContact NE1-O 3.49Å; W109-L149 VanDerWaalsContact NE1-O 3.17Å; F128-L149 HydrophobicContact CE1-CD1 4.39Å; E145-L149 WeakPolarHBondContact O-CB 3.07Å; E145-L149 PolarHBondContact O-N 2.85Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 3.16Å; L149-P153 WeakPolarHBondContact O-CD 3.36Å
150L81.9Confident83.3Confident108 Ų10860.7 Ų60.757%0.56532%0.32SS*.Hα-helixtrans-77.4-35.1176.5-72.1173.1000113.8W109 T146 I147 S148 P153W109-L150 HydrophobicContact CH2-CD2 3.7Å; W109-L150 HydrophobicContact CZ2-CD2 4.21Å; T146-L150 WeakPolarHBondContact O-CG 3.01Å; T146-L150 PolarHBondContact O-N 3.08Å; I147-L150 PolarHBondContact O-N 2.84Å; I147-L150 VanDerWaalsContact O-N 3.15Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.48Å; L150-P153 WeakPolarHBondContact O-CD 3.39Å; L150-P153 WeakPolarHBondContact O-CG 3.29Å
151I85.1Confident83.4Confident96 Ų9655.8 Ų55.849%0.49230%0.297SS..Hα-helixtrans-72.8-30.9-178.9-69.9173.3000111.3I147 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 3.49Å; I147-I151 PolarHBondContact O-N 3.34Å; S148-I151 PolarHBondContact O-N 3.31Å; I151-M154 WeakPolarHBondContact O-CB 3.32Å; I151-M154 PolarHBondContact O-N 3.37Å; I151-M154 VanDerWaalsContact O-N 3.13Å; I151-A155 HydrophobicContact CG2-CB 4.43Å; I151-A155 WeakPolarHBondContact O-CB 3.41Å; I151-A155 PolarHBondContact O-N 2.84Å
152Q82.8Confident83.4Confident69 Ų6955.4 Ų55.432%0.32230%0.301SS..Hα-helixtrans-51.5-53.4-177.7-103.8176.2-19.900116.1S148 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 3.05Å; S148-Q152 VanDerWaalsContact O-N 3.15Å; Q152-M154 VanDerWaalsContact C-N 3.26Å; Q152-M154 PolarHBondContact O-N 3.07Å; Q152-A155 PolarHBondContact O-N 2.82Å; Q152-L156 PolarHBondContact O-N 3.03Å; Q152-Y221 HydrophobicContact CG-CE1 4.42Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.37Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.31Å; Q152-Y221 PolarHBondContact NE2-OH 3.37Å; Q152-Y221 PolarHBondContact OE1-OH 3.45Å
153P78.9Confident83.8Confident9 Ų955.9 Ų55.96%0.05830%0.302CS..Hα-helixtrans-63.9-34178.423.9-34.5000112.1A105 W109 L149 L150 A157A105-P153 HydrophobicContact CB-CB 4.5Å; W109-P153 HydrophobicContact CB-CB 3.91Å; W109-P153 HydrophobicContact CB-CG 4.35Å; W109-P153 HydrophobicContact CD2-CB 4.35Å; W109-P153 HydrophobicContact CD2-CG 3.82Å; W109-P153 HydrophobicContact CE3-CG 4.35Å; W109-P153 HydrophobicContact CG-CB 3.87Å; W109-P153 HydrophobicContact CG-CG 3.79Å; L149-P153 WeakPolarHBondContact O-CD 3.36Å; L150-P153 WeakPolarHBondContact O-CD 3.39Å; L150-P153 WeakPolarHBondContact O-CG 3.29Å; P153-A157 PolarHBondContact O-N 3.29Å; P153-A157 VanDerWaalsContact O-N 3.16Å
154M83.6Confident83.8Confident93 Ų9351.9 Ų51.946%0.45828%0.281SS..Hα-helixtrans-65.5-47.3174.9-163.4104.3-166.600110.9L102 I151 Q152 L156 A157 V158L102-M154 HydrophobicContact CD1-SD 4.02Å; I151-M154 WeakPolarHBondContact O-CB 3.32Å; I151-M154 PolarHBondContact O-N 3.37Å; I151-M154 VanDerWaalsContact O-N 3.13Å; Q152-M154 VanDerWaalsContact C-N 3.26Å; Q152-M154 PolarHBondContact O-N 3.07Å; M154-L156 VanDerWaalsContact C-N 3.28Å; M154-L156 PolarHBondContact O-N 3.22Å; M154-A157 PolarHBondContact O-N 3.15Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.42Å; M154-V158 PolarHBondContact O-N 3.01Å
155A84.9Confident83.9Confident42 Ų4249.2 Ų49.235%0.34727%0.269SS..Hα-helixtrans-62.1-36.8179.300000111.9I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.43Å; I151-A155 WeakPolarHBondContact O-CB 3.41Å; I151-A155 PolarHBondContact O-N 2.84Å; Q152-A155 PolarHBondContact O-N 2.82Å; A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.42Å; A155-R159 PolarHBondContact O-N 3.02Å
156L79.9Confident84Confident7 Ų749 Ų494%0.03728%0.278CS..Hα-helixtrans-63.3-48.2175.3-164.482.5000112Q152 M154 R159 L160 F214 L217 V218Q152-L156 PolarHBondContact O-N 3.03Å; M154-L156 VanDerWaalsContact C-N 3.28Å; M154-L156 PolarHBondContact O-N 3.22Å; L156-R159 PolarHBondContact O-N 3.1Å; L156-L160 PolarHBondContact O-N 3.08Å; L156-F214 HydrophobicContact CD1-CD2 4.32Å; L156-F214 HydrophobicContact CD2-CD1 3.91Å; L156-F214 HydrophobicContact CD2-CD2 3.32Å; L156-F214 HydrophobicContact CD2-CE1 3.76Å; L156-F214 HydrophobicContact CD2-CE2 3.21Å; L156-F214 HydrophobicContact CD2-CG 3.69Å; L156-F214 HydrophobicContact CD2-CZ 3.45Å; L156-F214 VanDerWaalsContact CD2-CZ 3.45Å; L156-F214 HydrophobicContact CG-CD2 3.51Å; L156-F214 HydrophobicContact CG-CE2 3.69Å; L156-F214 HydrophobicContact CG-CG 4.13Å; L156-F214 HydrophobicContact CG-CZ 4.41Å; L156-L217 HydrophobicContact CD1-CB 4.04Å; L156-L217 HydrophobicContact CD1-CD1 3.33Å; L156-L217 HydrophobicContact CD1-CG 4.31Å; L156-V218 HydrophobicContact CD2-CG2 4.37Å
157A83.5Confident84.3Confident0 Ų046.9 Ų46.90%027%0.266CS..Hα-helixtrans-63.3-44.7179.100000111.8L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.31Å; N101-A157 HydrophobicContact CB-CB 3.9Å; N101-A157 PolarHBondContact ND2-O 3.25Å; L102-A157 HydrophobicContact CB-CB 4.42Å; L102-A157 HydrophobicContact CD1-CB 4.05Å; A105-A157 HydrophobicContact CB-CB 4.26Å; P153-A157 PolarHBondContact O-N 3.29Å; P153-A157 VanDerWaalsContact O-N 3.16Å; M154-A157 PolarHBondContact O-N 3.15Å; A157-R159 VanDerWaalsContact C-N 3.35Å; A157-R159 PolarHBondContact O-N 3.32Å; A157-L160 PolarHBondContact O-N 3.27Å; A157-T161 PolarHBondContact O-N 3.41Å; A157-T161 VanDerWaalsContact O-N 3.11Å; A157-T161 PolarHBondContact O-OG1 2.94Å
158V86.6Confident84.4Confident64 Ų6444.5 Ų44.539%0.38825%0.253SS..Hα-helixtrans-63.6-39.5177.6172.50000111.4L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.89Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.42Å; M154-V158 PolarHBondContact O-N 3.01Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 3.16Å; V158-T161 WeakPolarHBondContact CA-OG1 3.32Å; V158-T161 PolarHBondContact O-N 3.24Å; V158-T161 PolarHBondContact O-OG1 3.41Å; V158-A162 WeakPolarHBondContact O-CB 3.45Å; V158-A162 PolarHBondContact O-N 3.44Å
159R86.8Confident84.6Confident98 Ų9844 Ų4437%0.3725%0.246SC..Hα-helixtrans-60.5-43.2177.7-168.8-172.8-60.9151.92.5111.7A155 L156 A157 N163 Q210A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.42Å; A155-R159 PolarHBondContact O-N 3.02Å; L156-R159 PolarHBondContact O-N 3.1Å; A157-R159 VanDerWaalsContact C-N 3.35Å; A157-R159 PolarHBondContact O-N 3.32Å; R159-N163 VanDerWaalsContact O-CG 3.29Å; R159-N163 PolarHBondContact O-N 2.74Å; R159-Q210 VanDerWaalsContact C-NE2 3.28Å; R159-Q210 VanDerWaalsContact CG-NE2 3.32Å
160L81.5Confident85Confident0 Ų045.7 Ų45.70%026%0.255CS..Hα-helixtrans-67.2-44.4179.6178.967.2000110.9I79 N83 T95 N101 L156 A157 V158 I164 Q210 F214I79-L160 HydrophobicContact CG2-CD1 4.11Å; I79-L160 HydrophobicContact CG2-CD2 4.16Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.39Å; T95-L160 HydrophobicContact CG2-CD2 4.47Å; N101-L160 HydrophobicContact CB-CD2 4.36Å; N101-L160 VanDerWaalsContact CG-CD2 3.46Å; N101-L160 WeakPolarHBondContact ND2-CB 3.36Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.31Å; N101-L160 VanDerWaalsContact ND2-CG 3.33Å; N101-L160 WeakPolarHBondContact ND2-CG 3.46Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.37Å; L156-L160 PolarHBondContact O-N 3.08Å; A157-L160 PolarHBondContact O-N 3.27Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 3.16Å; L160-I164 HydrophobicContact CD1-CD1 3.68Å; L160-I164 HydrophobicContact CG-CD1 4.21Å; L160-I164 WeakPolarHBondContact O-CG1 3.27Å; L160-I164 PolarHBondContact O-N 2.83Å; L160-Q210 VanDerWaalsContact CA-NE2 3.27Å; L160-Q210 HydrophobicContact CB-CG 4.22Å; L160-Q210 HydrophobicContact CD1-CB 4.33Å; L160-Q210 HydrophobicContact CD1-CG 3.39Å; L160-Q210 HydrophobicContact CG-CG 4.39Å; L160-F214 HydrophobicContact CD2-CD2 4.43Å
161T85Confident85.4Confident13 Ų1342 Ų428%0.0824%0.235CC..Hα-helixtrans-65.3-45.7177.247.40000112.3T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.49Å; L98-T161 VanDerWaalsContact CA-CG2 3.44Å; L98-T161 HydrophobicContact CB-CG2 4.03Å; L98-T161 HydrophobicContact CD1-CG2 4.03Å; N101-T161 HydrophobicContact CB-CG2 4.29Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.46Å; N101-T161 PolarHBondContact ND2-N 3.37Å; A157-T161 PolarHBondContact O-N 3.41Å; A157-T161 VanDerWaalsContact O-N 3.11Å; A157-T161 PolarHBondContact O-OG1 2.94Å; V158-T161 WeakPolarHBondContact CA-OG1 3.32Å; V158-T161 PolarHBondContact O-N 3.24Å; V158-T161 PolarHBondContact O-OG1 3.41Å; T161-N163 PolarHBondContact O-N 2.95Å; T161-I164 PolarHBondContact O-N 2.99Å; T161-T165 VanDerWaalsContact O-CB 3.3Å; T161-T165 WeakPolarHBondContact O-CB 3.36Å; T161-T165 WeakPolarHBondContact O-CG2 3.26Å; T161-T165 PolarHBondContact O-N 3.48Å; T161-T165 PolarHBondContact O-OG1 3.38Å
162A84.6Confident85.6Confident41 Ų4141 Ų4134%0.33923%0.228SC..Hα-helixtrans-64.3-44.1-172.500000110.9V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.45Å; V158-A162 PolarHBondContact O-N 3.44Å; A162-T165 PolarHBondContact O-OG1 3.02Å; A162-A166 WeakPolarHBondContact O-CB 3.28Å; A162-A166 PolarHBondContact O-N 2.95Å
163N88Confident85.9Confident61 Ų6142 Ų4233%0.32624%0.235SC..Hα-helixtrans-63.8-48.8-179.7-69.5-6.5000111.3R159 T161 G167 V206R159-N163 VanDerWaalsContact O-CG 3.29Å; R159-N163 PolarHBondContact O-N 2.74Å; T161-N163 PolarHBondContact O-N 2.95Å; N163-G167 PolarHBondContact O-N 3.27Å; N163-V206 HydrophobicContact CB-CG1 4.07Å
164I85.1Confident86.5Confident6 Ų643.1 Ų43.13%0.03124%0.24CC..Hα-helixtrans-70-40.2-176.9-59.7173.4000111.5N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.27Å; N83-I164 VanDerWaalsContact CG-CD1 3.43Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.31Å; T93-I164 HydrophobicContact CG2-CG2 4.26Å; T95-I164 VanDerWaalsContact OG1-CD1 3.29Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.45Å; T96-I164 HydrophobicContact CG2-CB 4.37Å; T96-I164 HydrophobicContact CG2-CG2 3.65Å; L160-I164 HydrophobicContact CD1-CD1 3.68Å; L160-I164 HydrophobicContact CG-CD1 4.21Å; L160-I164 WeakPolarHBondContact O-CG1 3.27Å; L160-I164 PolarHBondContact O-N 2.83Å; T161-I164 PolarHBondContact O-N 2.99Å; I164-H168 PolarHBondContact O-CD2 2.9Å; I164-H168 PolarHBondContact O-N 3.08Å; I164-H168 VanDerWaalsContact O-N 3.09Å
165T87.2Confident86.8Confident36 Ų3639.8 Ų39.822%0.22123%0.23CC..Hα-helixtrans-67.2-45.9177.253.10000111.9F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.36Å; F9-T165 HydrophobicContact CE1-CG2 4.06Å; T96-T165 HydrophobicContact CG2-CG2 3.74Å; T161-T165 VanDerWaalsContact O-CB 3.3Å; T161-T165 WeakPolarHBondContact O-CB 3.36Å; T161-T165 WeakPolarHBondContact O-CG2 3.26Å; T161-T165 PolarHBondContact O-N 3.48Å; T161-T165 PolarHBondContact O-OG1 3.38Å; A162-T165 PolarHBondContact O-OG1 3.02Å; T165-H168 PolarHBondContact O-N 3.5Å; T165-L169 WeakPolarHBondContact O-CB 3.36Å; T165-L169 WeakPolarHBondContact O-CG 3.36Å; T165-L169 PolarHBondContact O-N 3.35Å
166A87.1Confident86.9Confident55 Ų5540.4 Ų40.446%0.45523%0.231SC..Hα-helixtrans-64.2-42.8178.200000111.4A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.28Å; A162-A166 PolarHBondContact O-N 2.95Å; A166-L169 PolarHBondContact O-N 3.38Å; A166-L170 VanDerWaalsContact O-CB 3.26Å; A166-L170 WeakPolarHBondContact O-CB 3.11Å; A166-L170 PolarHBondContact O-N 3.31Å
167G87.7Confident87.3Confident6 Ų641.9 Ų41.96%0.06224%0.244CC..Hα-helixtrans-58.4-48.717600000112.5N163 L170 M171 E203N163-G167 PolarHBondContact O-N 3.27Å; G167-L170 PolarHBondContact O-N 2.86Å; G167-M171 WeakPolarHBondContact O-CB 3.3Å; G167-M171 WeakPolarHBondContact O-CG 3.25Å; G167-M171 PolarHBondContact O-N 3.19Å; G167-E203 WeakPolarHBondContact CA-OE2 3.45Å
168H87.6Confident87.6Confident34 Ų3442.8 Ų42.816%0.15725%0.25CC..Hα-helixtrans-62.5-43.1176-92.2-89.1000113.4F9 G86 I164 T165 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.1Å; F9-H168 HydrophobicContact CZ-CB 3.84Å; G86-H168 PolarHBondContact O-CE1 3.02Å; G86-H168 PolarHBondContact O-NE2 2.94Å; I164-H168 PolarHBondContact O-CD2 2.9Å; I164-H168 PolarHBondContact O-N 3.08Å; I164-H168 VanDerWaalsContact O-N 3.09Å; T165-H168 PolarHBondContact O-N 3.5Å; H168-L170 VanDerWaalsContact C-N 3.33Å; H168-L170 PolarHBondContact O-N 2.73Å; H168-M171 PolarHBondContact O-N 3.06Å; H168-H172 WeakPolarHBondContact O-CB 3.29Å; H168-H172 PolarHBondContact O-N 2.98Å
169L87.8Confident87.7Confident43 Ų4345.8 Ų45.823%0.22526%0.263CS..Hα-helixtrans-61.9-42.9175.8-78170.2000111.3L5 F6 F9 T165 A166 H172 L173L5-L169 HydrophobicContact CB-CD2 4.3Å; F6-L169 HydrophobicContact CD1-CD2 4.49Å; F6-L169 HydrophobicContact CE1-CD1 4.13Å; F6-L169 HydrophobicContact CE1-CD2 4.13Å; F6-L169 HydrophobicContact CZ-CD2 4.47Å; F9-L169 HydrophobicContact CE2-CD1 4.4Å; F9-L169 HydrophobicContact CE2-CD2 3.72Å; F9-L169 HydrophobicContact CE2-CG 3.76Å; F9-L169 HydrophobicContact CZ-CD2 4.36Å; F9-L169 HydrophobicContact CZ-CG 3.95Å; T165-L169 WeakPolarHBondContact O-CB 3.36Å; T165-L169 WeakPolarHBondContact O-CG 3.36Å; T165-L169 PolarHBondContact O-N 3.35Å; A166-L169 PolarHBondContact O-N 3.38Å; L169-H172 PolarHBondContact O-N 3.27Å; L169-L173 WeakPolarHBondContact O-CB 3.21Å; L169-L173 WeakPolarHBondContact O-CG 3.27Å; L169-L173 PolarHBondContact O-N 2.89Å
170L89.9Confident87.7Confident79 Ų7943.5 Ų43.541%0.41427%0.265SS..Hα-helixtrans-68.8-40.6-178.6-157151.2000111.1A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.26Å; A166-L170 WeakPolarHBondContact O-CB 3.11Å; A166-L170 PolarHBondContact O-N 3.31Å; G167-L170 PolarHBondContact O-N 2.86Å; H168-L170 VanDerWaalsContact C-N 3.33Å; H168-L170 PolarHBondContact O-N 2.73Å; L170-H172 VanDerWaalsContact C-N 3.34Å; L170-H172 PolarHBondContact O-N 3.34Å; L170-L173 PolarHBondContact O-N 2.85Å; L170-I174 HydrophobicContact CD2-CD1 3.49Å; L170-I174 VanDerWaalsContact CD2-CD1 3.49Å; L170-I174 HydrophobicContact CD2-CG1 4.11Å; L170-I174 WeakPolarHBondContact O-CG1 3.49Å; L170-I174 PolarHBondContact O-N 3.45Å; L170-L199 HydrophobicContact CB-CD2 4.41Å; L170-L199 HydrophobicContact CD2-CD1 3.62Å; L170-L199 HydrophobicContact CD2-CD2 3.21Å; L170-L199 HydrophobicContact CD2-CG 4.02Å; L170-L199 HydrophobicContact CG-CD2 4.4Å
171M90.3Very high87.9Confident30 Ų3046.5 Ų46.515%0.14828%0.28CS..Hα-helixtrans-59.3-43171.1-75.4-172.3-68.800111.9L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 3.96Å; G167-M171 WeakPolarHBondContact O-CB 3.3Å; G167-M171 WeakPolarHBondContact O-CG 3.25Å; G167-M171 PolarHBondContact O-N 3.19Å; H168-M171 PolarHBondContact O-N 3.06Å; M171-G175 PolarHBondContact O-N 2.87Å; M171-L199 HydrophobicContact CB-CD2 4.32Å; M171-L199 HydrophobicContact CG-CD2 3.55Å; M171-L199 HydrophobicContact CG-CG 4.2Å; M171-T200 HydrophobicContact SD-CG2 3.92Å; M171-E203 HydrophobicContact CE-CG 4.17Å
172H88.9Confident88Confident74 Ų7448.9 Ų48.934%0.34330%0.297SS..Hα-helixtrans-67.6-41.5178.6-166.5-58.2000112.3L5 H168 L169 L170 G175 S176L5-H172 WeakPolarHBondContact CD2-CE1 3.46Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.1Å; H168-H172 WeakPolarHBondContact O-CB 3.29Å; H168-H172 PolarHBondContact O-N 2.98Å; L169-H172 PolarHBondContact O-N 3.27Å; L170-H172 VanDerWaalsContact C-N 3.34Å; L170-H172 PolarHBondContact O-N 3.34Å; H172-G175 PolarHBondContact O-N 2.9Å; H172-S176 PolarHBondContact O-N 3.36Å; H172-S176 PolarHBondContact O-OG 3.09Å
173L89.6Confident88.1Confident90 Ų9052.7 Ų52.747%0.47132%0.316SS..Hα-helixtrans-63.8-48.1178.1-74.7171000111.1L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 3.86Å; L169-L173 WeakPolarHBondContact O-CB 3.21Å; L169-L173 WeakPolarHBondContact O-CG 3.27Å; L169-L173 PolarHBondContact O-N 2.89Å; L170-L173 PolarHBondContact O-N 2.85Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.37Å; L173-S176 PolarHBondContact O-N 3.31Å; L173-S176 PolarHBondContact O-OG 3.15Å; L173-A177 WeakPolarHBondContact O-CB 3.49Å; L173-A177 PolarHBondContact O-N 3.19Å
174I90.6Very high88Confident34 Ų3454.8 Ų54.817%0.17433%0.326CS..Hα-helixtrans-65.4-38.4177.3-64.5-173.9000110.9L170 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.49Å; L170-I174 VanDerWaalsContact CD2-CD1 3.49Å; L170-I174 HydrophobicContact CD2-CG1 4.11Å; L170-I174 WeakPolarHBondContact O-CG1 3.49Å; L170-I174 PolarHBondContact O-N 3.45Å; I174-A177 PolarHBondContact O-N 3Å; I174-T178 HydrophobicContact CG2-CG2 4.24Å; I174-T178 WeakPolarHBondContact O-CG2 3.26Å; I174-T178 PolarHBondContact O-N 3.47Å; I174-I192 HydrophobicContact CG2-CG2 3.79Å; I174-I195 HydrophobicContact CD1-CG2 4.1Å; I174-L196 HydrophobicContact CB-CD1 4.24Å; I174-L196 HydrophobicContact CG2-CB 3.94Å; I174-L196 HydrophobicContact CG2-CD1 4.02Å; I174-L199 HydrophobicContact CD1-CD2 4.14Å
175G89.4Confident88.1Confident23 Ų2359 Ų5924%0.23735%0.349CS..Hα-helixtrans-62.4-39.9174.200000113.4M171 H172 L173 A177 T178 L179M171-G175 PolarHBondContact O-N 2.87Å; H172-G175 PolarHBondContact O-N 2.9Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.37Å; G175-A177 VanDerWaalsContact C-N 3.34Å; G175-T178 PolarHBondContact O-N 3.38Å; G175-T178 PolarHBondContact O-OG1 2.98Å; G175-L179 PolarHBondContact O-N 2.99Å; G175-L179 VanDerWaalsContact O-N 3.14Å
176S88.3Confident88Confident54 Ų5464.3 Ų64.338%0.37838%0.375SS..Hα-helixtrans-67.8-36.7174.370.90000111.9H172 L173 L179 A180H172-S176 PolarHBondContact O-N 3.36Å; H172-S176 PolarHBondContact O-OG 3.09Å; L173-S176 PolarHBondContact O-N 3.31Å; L173-S176 PolarHBondContact O-OG 3.15Å; S176-L179 PolarHBondContact O-N 3.46Å; S176-A180 WeakPolarHBondContact O-CB 3.33Å; S176-A180 PolarHBondContact O-N 3.34Å
177A87.8Confident88.1Confident38 Ų3866.2 Ų66.231%0.31438%0.383SS..Hα-helixtrans-67.8-39.5175.800000112.1L173 I174 G175 L179 A180 M181L173-A177 WeakPolarHBondContact O-CB 3.49Å; L173-A177 PolarHBondContact O-N 3.19Å; I174-A177 PolarHBondContact O-N 3Å; G175-A177 VanDerWaalsContact C-N 3.34Å; A177-L179 VanDerWaalsContact C-N 3.32Å; A177-L179 PolarHBondContact O-N 3.24Å; A177-A180 PolarHBondContact O-N 2.88Å; A177-M181 WeakPolarHBondContact O-CB 3.49Å; A177-M181 WeakPolarHBondContact O-CG 3.47Å; A177-M181 PolarHBondContact O-N 2.57Å
178T89.5Confident88Confident19 Ų1967.8 Ų67.812%0.11739%0.393CS..Hα-helixtrans-63.4-42175.763.90000110.7I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.24Å; I174-T178 WeakPolarHBondContact O-CG2 3.26Å; I174-T178 PolarHBondContact O-N 3.47Å; G175-T178 PolarHBondContact O-N 3.38Å; G175-T178 PolarHBondContact O-OG1 2.98Å; T178-M181 PolarHBondContact O-N 3.12Å; T178-S182 WeakPolarHBondContact O-CB 3.3Å; T178-S182 PolarHBondContact O-N 3.3Å; T178-I192 HydrophobicContact CG2-CB 3.95Å; T178-I192 HydrophobicContact CG2-CG2 3.5Å; T178-I192 VanDerWaalsContact CG2-CG2 3.5Å
179L88.6Confident88.2Confident128 Ų12867.2 Ų67.267%0.6739%0.392SS*.Hα-helixtrans-65.6-43178.5-161.8142.2000111.4G175 S176 A177 S182G175-L179 PolarHBondContact O-N 2.99Å; G175-L179 VanDerWaalsContact O-N 3.14Å; S176-L179 PolarHBondContact O-N 3.46Å; A177-L179 VanDerWaalsContact C-N 3.32Å; A177-L179 PolarHBondContact O-N 3.24Å; L179-S182 WeakPolarHBondContact O-CB 3.38Å; L179-S182 PolarHBondContact O-N 3.43Å; L179-S182 PolarHBondContact O-OG 3.38Å
180A87.7Confident88.3Confident49 Ų4970.9 Ų70.941%0.40541%0.411SS..Hα-helixtrans-66.7-35.3175.700000113.3S176 A177 T183S176-A180 WeakPolarHBondContact O-CB 3.33Å; S176-A180 PolarHBondContact O-N 3.34Å; A177-A180 PolarHBondContact O-N 2.88Å; A180-T183 PolarHBondContact O-OG1 3.3Å
181M86.1Confident88.4Confident63 Ų6372 Ų7231%0.3142%0.417SS..Hα-helixtrans-76.9-24.6178.2-69.6-66.4112.300112.8A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.49Å; A177-M181 WeakPolarHBondContact O-CG 3.47Å; A177-M181 PolarHBondContact O-N 2.57Å; T178-M181 PolarHBondContact O-N 3.12Å; M181-T183 PolarHBondContact O-N 3.33Å; M181-I184 HydrophobicContact CE-CD1 3.59Å; M181-I184 PolarHBondContact O-N 3.14Å; M181-I184 HydrophobicContact SD-CD1 4.26Å; M181-N185 PolarHBondContact O-N 3.37Å; M181-N185 VanDerWaalsContact O-N 3.1Å; M181-T189 PolarHBondContact O-OG1 2.77Å; M181-T189 VanDerWaalsContact O-OG1 3.11Å; M181-I192 HydrophobicContact CB-CD1 4.17Å; M181-I192 HydrophobicContact CG-CD1 3.66Å
182S86.4Confident88.5Confident63 Ų6372.6 Ų72.644%0.44142%0.42SS..Hα-helixtrans-59.1-30178.976.90000113T178 L179 T189T178-S182 WeakPolarHBondContact O-CB 3.3Å; T178-S182 PolarHBondContact O-N 3.3Å; L179-S182 WeakPolarHBondContact O-CB 3.38Å; L179-S182 PolarHBondContact O-N 3.43Å; L179-S182 PolarHBondContact O-OG 3.38Å; S182-T189 WeakPolarHBondContact CA-OG1 3.14Å; S182-T189 PolarHBondContact N-OG1 2.95Å
183T86.1Confident88.6Confident121 Ų12174.1 Ų74.174%0.74243%0.426SS*.THydrogen-bonded Turntrans-81.3-15.6178.259.60000113.5A180 M181A180-T183 PolarHBondContact O-OG1 3.3Å; M181-T183 PolarHBondContact O-N 3.33Å
184I86.3Confident88.8Confident105 Ų10573.5 Ų73.554%0.53843%0.426SS..THydrogen-bonded Turntrans-100.2-61-174-58.7169.5000110.2M181M181-I184 HydrophobicContact CE-CD1 3.59Å; M181-I184 PolarHBondContact O-N 3.14Å; M181-I184 HydrophobicContact SD-CD1 4.26Å
185N86.9Confident89Confident96 Ų9675.8 Ų75.851%0.51344%0.437SS..  trans-146126.2-172.9-83-22.4000111.4M181 S188 T189M181-N185 PolarHBondContact O-N 3.37Å; M181-N185 VanDerWaalsContact O-N 3.1Å; N185-S188 VanDerWaalsContact CB-OG 3.27Å; N185-S188 WeakPolarHBondContact CB-OG 3.45Å; N185-S188 PolarHBondContact O-OG 3.24Å; N185-T189 PolarHBondContact O-N 2.92Å; N185-T189 PolarHBondContact O-OG1 2.96Å
186L86.1Confident89.1Confident147 Ų14776.2 Ų76.277%0.7743%0.434SS*.Hα-helixtrans-63.8-45.1177.8-15881.6000114.4S188 T189 L190L186-S188 PolarHBondContact O-N 3.21Å; L186-T189 WeakPolarHBondContact O-CB 3.48Å; L186-T189 PolarHBondContact O-N 3.39Å; L186-L190 PolarHBondContact O-N 2.85Å
187P88.3Confident89.3Confident95 Ų9577.3 Ų77.362%0.61744%0.435SS*.Hα-helixtrans-69-36.7-175.125.1-33.2000113.1T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.33Å; P187-L190 PolarHBondContact O-N 3.48Å; P187-I191 PolarHBondContact O-N 3.28Å
188S86.6Confident89.7Confident38 Ų3881.2 Ų81.227%0.26645%0.45SS..Hα-helixtrans-66.8-35.7174.4510000112.1N185 L186 L190 I191 I192N185-S188 VanDerWaalsContact CB-OG 3.27Å; N185-S188 WeakPolarHBondContact CB-OG 3.45Å; N185-S188 PolarHBondContact O-OG 3.24Å; L186-S188 PolarHBondContact O-N 3.21Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 2.88Å; S188-I191 PolarHBondContact O-N 3.02Å; S188-I192 WeakPolarHBondContact O-CG1 3.39Å; S188-I192 PolarHBondContact O-N 3.41Å; S188-I192 VanDerWaalsContact O-N 3.13Å
189T90.8Very high89.8Confident23 Ų2381.5 Ų81.514%0.14145%0.45CS..Hα-helixtrans-61.6-41.2175.8-58.90000111.5M181 S182 N185 L186 P187 I191 I192 F193M181-T189 PolarHBondContact O-OG1 2.77Å; M181-T189 VanDerWaalsContact O-OG1 3.11Å; S182-T189 WeakPolarHBondContact CA-OG1 3.14Å; S182-T189 PolarHBondContact N-OG1 2.95Å; N185-T189 PolarHBondContact O-N 2.92Å; N185-T189 PolarHBondContact O-OG1 2.96Å; L186-T189 WeakPolarHBondContact O-CB 3.48Å; L186-T189 PolarHBondContact O-N 3.39Å; P187-T189 VanDerWaalsContact C-N 3.33Å; T189-I191 VanDerWaalsContact C-N 3.32Å; T189-I191 PolarHBondContact O-N 2.94Å; T189-I192 PolarHBondContact O-N 3.4Å; T189-F193 VanDerWaalsContact O-CB 3.28Å; T189-F193 WeakPolarHBondContact O-CB 3.01Å; T189-F193 PolarHBondContact O-N 3Å
190L90.3Very high90Very high119 Ų11977.8 Ų77.862%0.62343%0.433SS*.Hα-helixtrans-59.9-42.9177.2-162.381.4000111.5L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 2.85Å; P187-L190 PolarHBondContact O-N 3.48Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 2.88Å; L190-F193 PolarHBondContact O-N 3.39Å; L190-T194 WeakPolarHBondContact O-CG2 3.34Å; L190-T194 PolarHBondContact O-N 3.24Å
191I92.3Very high90.2Very high104 Ų10480.3 Ų80.353%0.53344%0.439SS..Hα-helixtrans-63.6-45.2178.9-63.1165.9000111.2P187 S188 T189 F193 T194 I195P187-I191 PolarHBondContact O-N 3.28Å; S188-I191 PolarHBondContact O-N 3.02Å; T189-I191 VanDerWaalsContact C-N 3.32Å; T189-I191 PolarHBondContact O-N 2.94Å; I191-F193 VanDerWaalsContact C-N 3.29Å; I191-F193 PolarHBondContact O-N 3.27Å; I191-T194 PolarHBondContact O-N 2.98Å; I191-T194 PolarHBondContact O-OG1 3.4Å; I191-I195 HydrophobicContact CG2-CD1 4.34Å; I191-I195 WeakPolarHBondContact O-CG1 3.26Å; I191-I195 PolarHBondContact O-N 2.76Å
192I92.3Very high90.5Very high42 Ų4282.2 Ų82.222%0.21545%0.45CS..Hα-helixtrans-70.8-32.7-179.7-53.4166.2000110.3I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.79Å; T178-I192 HydrophobicContact CG2-CB 3.95Å; T178-I192 HydrophobicContact CG2-CG2 3.5Å; T178-I192 VanDerWaalsContact CG2-CG2 3.5Å; M181-I192 HydrophobicContact CB-CD1 4.17Å; M181-I192 HydrophobicContact CG-CD1 3.66Å; S188-I192 WeakPolarHBondContact O-CG1 3.39Å; S188-I192 PolarHBondContact O-N 3.41Å; S188-I192 VanDerWaalsContact O-N 3.13Å; T189-I192 PolarHBondContact O-N 3.4Å; I192-I195 WeakPolarHBondContact O-CB 3.49Å; I192-I195 PolarHBondContact O-N 3.45Å; I192-L196 PolarHBondContact O-N 3.21Å
193F91.8Very high90.7Very high106 Ų10679.8 Ų79.847%0.46543%0.432SS..Hα-helixtrans-65.7-39.1174.6-173.3-105.1000112.6T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.28Å; T189-F193 WeakPolarHBondContact O-CB 3.01Å; T189-F193 PolarHBondContact O-N 3Å; L190-F193 PolarHBondContact O-N 3.39Å; I191-F193 VanDerWaalsContact C-N 3.29Å; I191-F193 PolarHBondContact O-N 3.27Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 2.97Å; F193-L196 HydrophobicContact CD2-CD2 4.46Å; F193-L196 WeakPolarHBondContact O-CB 3.45Å; F193-L196 PolarHBondContact O-N 2.89Å; F193-I197 HydrophobicContact CD1-CD1 3.79Å; F193-I197 HydrophobicContact CE1-CD1 3.47Å; F193-I197 VanDerWaalsContact CE1-CD1 3.47Å; F193-I197 HydrophobicContact CE1-CG1 4.24Å; F193-I197 HydrophobicContact CZ-CD1 4.13Å; F193-I197 HydrophobicContact CZ-CG1 4.47Å; F193-I197 PolarHBondContact O-N 3.17Å
194T93.1Very high90.9Very high76 Ų7678 Ų7847%0.46642%0.417SS..Hα-helixtrans-65-37173.359.90000111.9L190 I191 L196 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.34Å; L190-T194 PolarHBondContact O-N 3.24Å; I191-T194 PolarHBondContact O-N 2.98Å; I191-T194 PolarHBondContact O-OG1 3.4Å; T194-L196 VanDerWaalsContact C-N 3.34Å; T194-I197 PolarHBondContact O-N 2.88Å; T194-L198 PolarHBondContact O-N 3.42Å
195I93.8Very high91.2Very high83 Ų8375.1 Ų75.143%0.42641%0.409SS..Hα-helixtrans-62.1-42.2173-65.5167.2000110.9I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.1Å; I191-I195 HydrophobicContact CG2-CD1 4.34Å; I191-I195 WeakPolarHBondContact O-CG1 3.26Å; I191-I195 PolarHBondContact O-N 2.76Å; I192-I195 WeakPolarHBondContact O-CB 3.49Å; I192-I195 PolarHBondContact O-N 3.45Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 2.97Å; I195-I197 PolarHBondContact O-N 3.31Å; I195-L198 PolarHBondContact O-N 2.97Å; I195-L199 WeakPolarHBondContact O-CB 3.36Å; I195-L199 PolarHBondContact O-N 3.47Å
196L93.1Very high91.4Very high32 Ų3272.4 Ų72.417%0.16840%0.395CS..Hα-helixtrans-59.8-45.6176.1-17865.2000111.4I174 I192 F193 T194 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.24Å; I174-L196 HydrophobicContact CG2-CB 3.94Å; I174-L196 HydrophobicContact CG2-CD1 4.02Å; I192-L196 PolarHBondContact O-N 3.21Å; F193-L196 HydrophobicContact CD2-CD2 4.46Å; F193-L196 WeakPolarHBondContact O-CB 3.45Å; F193-L196 PolarHBondContact O-N 2.89Å; T194-L196 VanDerWaalsContact C-N 3.34Å; L196-L198 PolarHBondContact O-N 2.99Å; L196-L199 WeakPolarHBondContact O-CB 3.43Å; L196-L199 PolarHBondContact O-N 3.46Å; L196-T200 WeakPolarHBondContact O-CG2 3.25Å; L196-T200 PolarHBondContact O-N 3.37Å
197I92.4Very high91.6Very high76 Ų7665.6 Ų65.639%0.3936%0.36SS..Hα-helixtrans-60-47.6176.2-67.9162.3000110.5F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.79Å; F193-I197 HydrophobicContact CE1-CD1 3.47Å; F193-I197 VanDerWaalsContact CE1-CD1 3.47Å; F193-I197 HydrophobicContact CE1-CG1 4.24Å; F193-I197 HydrophobicContact CZ-CD1 4.13Å; F193-I197 HydrophobicContact CZ-CG1 4.47Å; F193-I197 PolarHBondContact O-N 3.17Å; T194-I197 PolarHBondContact O-N 2.88Å; I195-I197 PolarHBondContact O-N 3.31Å; I197-L199 VanDerWaalsContact C-N 3.27Å; I197-L199 PolarHBondContact O-N 2.87Å; I197-T200 PolarHBondContact O-N 3.04Å; I197-T200 VanDerWaalsContact O-N 3.14Å; I197-T200 PolarHBondContact O-OG1 3.46Å; I197-I201 HydrophobicContact CG2-CD1 4.13Å; I197-I201 WeakPolarHBondContact O-CG1 3.31Å; I197-I201 PolarHBondContact O-N 3.49Å; I197-I201 VanDerWaalsContact O-N 3.14Å
198L94.6Very high91.6Very high121 Ų12166.4 Ų66.463%0.63436%0.359SS*.Hα-helixtrans-60.1-40.2179.6-17663.2000111.9T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 3.42Å; I195-L198 PolarHBondContact O-N 2.97Å; L196-L198 PolarHBondContact O-N 2.99Å; L198-I201 PolarHBondContact O-N 3.34Å; L198-L202 PolarHBondContact O-N 3.02Å
199L93.2Very high91.8Very high24 Ų2469.2 Ų69.213%0.12637%0.37CS..Hα-helixtrans-62.9-42.8175.5-177.673.8000112.1L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.41Å; L170-L199 HydrophobicContact CD2-CD1 3.62Å; L170-L199 HydrophobicContact CD2-CD2 3.21Å; L170-L199 HydrophobicContact CD2-CG 4.02Å; L170-L199 HydrophobicContact CG-CD2 4.4Å; M171-L199 HydrophobicContact CB-CD2 4.32Å; M171-L199 HydrophobicContact CG-CD2 3.55Å; M171-L199 HydrophobicContact CG-CG 4.2Å; I174-L199 HydrophobicContact CD1-CD2 4.14Å; I195-L199 WeakPolarHBondContact O-CB 3.36Å; I195-L199 PolarHBondContact O-N 3.47Å; L196-L199 WeakPolarHBondContact O-CB 3.43Å; L196-L199 PolarHBondContact O-N 3.46Å; I197-L199 VanDerWaalsContact C-N 3.27Å; I197-L199 PolarHBondContact O-N 2.87Å; L199-I201 VanDerWaalsContact C-N 3.28Å; L199-I201 PolarHBondContact O-N 3.14Å; L199-L202 HydrophobicContact CD1-CD2 4.45Å; L199-L202 WeakPolarHBondContact O-CB 3.28Å; L199-L202 PolarHBondContact O-N 3.12Å; L199-L202 VanDerWaalsContact O-N 3.17Å; L199-E203 PolarHBondContact O-N 3.45Å
200T91.1Very high91.7Very high51 Ų5168.7 Ų68.731%0.31337%0.366SS..Hα-helixtrans-61.6-38.5177.761.20000111.8M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.92Å; L196-T200 WeakPolarHBondContact O-CG2 3.25Å; L196-T200 PolarHBondContact O-N 3.37Å; I197-T200 PolarHBondContact O-N 3.04Å; I197-T200 VanDerWaalsContact O-N 3.14Å; I197-T200 PolarHBondContact O-OG1 3.46Å; T200-E203 PolarHBondContact O-N 2.99Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.5Å; T200-I204 PolarHBondContact O-N 2.95Å
201I92.8Very high91.7Very high102 Ų10263 Ų6352%0.52334%0.336SS..Hα-helixtrans-64.6-43.3175.4-64.3167.3000110.6I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.13Å; I197-I201 WeakPolarHBondContact O-CG1 3.31Å; I197-I201 PolarHBondContact O-N 3.49Å; I197-I201 VanDerWaalsContact O-N 3.14Å; L198-I201 PolarHBondContact O-N 3.34Å; L199-I201 VanDerWaalsContact C-N 3.28Å; L199-I201 PolarHBondContact O-N 3.14Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.17Å; I201-I204 PolarHBondContact O-N 2.95Å; I201-A205 PolarHBondContact O-N 3.48Å; I201-A205 VanDerWaalsContact O-N 3.14Å
202L91.9Very high91.5Very high102 Ų10262.8 Ų62.853%0.53433%0.329SS..Hα-helixtrans-59.4-45.8175.6-179.867.9000111L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 3.02Å; L199-L202 HydrophobicContact CD1-CD2 4.45Å; L199-L202 WeakPolarHBondContact O-CB 3.28Å; L199-L202 PolarHBondContact O-N 3.12Å; L199-L202 VanDerWaalsContact O-N 3.17Å; L202-I204 PolarHBondContact O-N 3.31Å; L202-A205 WeakPolarHBondContact O-CB 3.44Å; L202-A205 PolarHBondContact O-N 2.95Å; L202-A205 VanDerWaalsContact O-N 3.12Å; L202-V206 HydrophobicContact CD1-CG2 4.39Å; L202-V206 HydrophobicContact CG-CG2 4.33Å; L202-V206 WeakPolarHBondContact O-CG2 3.41Å; L202-V206 PolarHBondContact O-N 2.99Å
203E90.8Very high91.4Very high13 Ų1362.8 Ų62.86%0.06133%0.331CS..Hα-helixtrans-67-37.4-177-16364.6-160.500112.1L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.37Å; L87-E203 HydrophobicContact CD2-CB 4.2Å; L87-E203 HydrophobicContact CD2-CG 3.38Å; G167-E203 WeakPolarHBondContact CA-OE2 3.45Å; M171-E203 HydrophobicContact CE-CG 4.17Å; L199-E203 PolarHBondContact O-N 3.45Å; T200-E203 PolarHBondContact O-N 2.99Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.17Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.31Å; E203-V206 PolarHBondContact O-N 2.65Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.27Å; E203-A207 PolarHBondContact O-N 3.38Å
204I90.8Very high91.2Very high83 Ų8357.7 Ų57.743%0.42631%0.309SS..Hα-helixtrans-59.3-43.1171.6-67.4164.6000110.6L84 L87 T200 I201 L202 L208L84-I204 HydrophobicContact CD1-CG2 4.39Å; L87-I204 HydrophobicContact CD1-CB 4.22Å; L87-I204 HydrophobicContact CD1-CG1 3.63Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.5Å; T200-I204 PolarHBondContact O-N 2.95Å; I201-I204 PolarHBondContact O-N 2.95Å; L202-I204 PolarHBondContact O-N 3.31Å; I204-L208 PolarHBondContact O-N 3.43Å
205A91.8Very high91Very high45 Ų4554.1 Ų54.137%0.37229%0.287SS..Hα-helixtrans-65.6-45.7177.300000111.7I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 3.48Å; I201-A205 VanDerWaalsContact O-N 3.14Å; L202-A205 WeakPolarHBondContact O-CB 3.44Å; L202-A205 PolarHBondContact O-N 2.95Å; L202-A205 VanDerWaalsContact O-N 3.12Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.31Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.49Å; A205-L208 PolarHBondContact O-N 3.14Å; A205-I209 WeakPolarHBondContact O-CB 3.44Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.4Å; A205-I209 PolarHBondContact O-N 3.46Å
206V91.7Very high90.7Very high38 Ų3853.1 Ų53.123%0.2328%0.282CS..Hα-helixtrans-61.1-42.2177.9172.60000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.07Å; L202-V206 HydrophobicContact CD1-CG2 4.39Å; L202-V206 HydrophobicContact CG-CG2 4.33Å; L202-V206 WeakPolarHBondContact O-CG2 3.41Å; L202-V206 PolarHBondContact O-N 2.99Å; E203-V206 PolarHBondContact O-N 2.65Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 2.83Å; V206-I209 PolarHBondContact O-N 3.37Å; V206-Q210 WeakPolarHBondContact O-CB 3.49Å; V206-Q210 PolarHBondContact O-N 2.91Å
207A89.3Confident90.4Very high4 Ų453.2 Ų53.23%0.03328%0.283CS..Hα-helixtrans-57.8-41.9178.100000112.9N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.9Å; N83-A207 PolarHBondContact ND2-O 3.3Å; L87-A207 HydrophobicContact CD1-CB 4.08Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.27Å; E203-A207 PolarHBondContact O-N 3.38Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.49Å; A207-A211 PolarHBondContact O-N 2.84Å
208L89.1Confident90Very high112 Ų11250 Ų5059%0.58627%0.266SS*.Hα-helixtrans-75-45.3178.8-167.3154.4000111.8I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 3.43Å; A205-L208 PolarHBondContact O-N 3.14Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 2.83Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.42Å; L208-A211 PolarHBondContact O-N 3.28Å; L208-Y212 PolarHBondContact O-N 3.05Å; L208-Y212 VanDerWaalsContact O-N 3.15Å
209I90.9Very high89.6Confident98 Ų9844.7 Ų44.750%0.50324%0.24SC..Hα-helixtrans-60-41.1178.1-69.1166.5000110.4A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.44Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.4Å; A205-I209 PolarHBondContact O-N 3.46Å; V206-I209 PolarHBondContact O-N 3.37Å; I209-A211 PolarHBondContact O-N 2.94Å; I209-Y212 WeakPolarHBondContact O-CB 3.41Å; I209-Y212 PolarHBondContact O-N 3.33Å; I209-V213 HydrophobicContact CG2-CG2 4.04Å; I209-V213 WeakPolarHBondContact O-CG2 3.34Å; I209-V213 PolarHBondContact O-N 3.29Å
210Q89.1Confident89.1Confident11 Ų1147.1 Ų47.15%0.05125%0.252CS..Hα-helixtrans-66.6-38-178.1-173.564.46.800112.1R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.28Å; R159-Q210 VanDerWaalsContact CG-NE2 3.32Å; L160-Q210 VanDerWaalsContact CA-NE2 3.27Å; L160-Q210 HydrophobicContact CB-CG 4.22Å; L160-Q210 HydrophobicContact CD1-CB 4.33Å; L160-Q210 HydrophobicContact CD1-CG 3.39Å; L160-Q210 HydrophobicContact CG-CG 4.39Å; V206-Q210 WeakPolarHBondContact O-CB 3.49Å; V206-Q210 PolarHBondContact O-N 2.91Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.42Å; Q210-Y212 VanDerWaalsContact C-N 3.34Å; Q210-F214 VanDerWaalsContact O-CB 3.32Å; Q210-F214 WeakPolarHBondContact O-CB 3.44Å; Q210-F214 PolarHBondContact O-N 2.96Å
211A89.5Confident88.6Confident1 Ų145.7 Ų45.71%0.00824%0.241CC..Hα-helixtrans-61.4-43.7172.400000111.4I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.48Å; I79-A211 HydrophobicContact CB-CB 4.05Å; I79-A211 HydrophobicContact CG2-CB 3.77Å; A80-A211 HydrophobicContact CB-CB 3.91Å; A207-A211 PolarHBondContact O-N 2.84Å; L208-A211 PolarHBondContact O-N 3.28Å; I209-A211 PolarHBondContact O-N 2.94Å; A211-T215 PolarHBondContact O-N 3.34Å; A211-T215 PolarHBondContact O-OG1 3.34Å; A211-T215 VanDerWaalsContact O-OG1 3.14Å
212Y89.5Confident88Confident98 Ų9840.9 Ų40.938%0.38422%0.217SC..Hα-helixtrans-62.7-52.9176.9176.5-101.4000112.2M57 I76 L208 I209 Q210 F214 T215 L216M57-Y212 HydrophobicContact CE-CD2 4.48Å; I76-Y212 HydrophobicContact CD1-CD2 4.19Å; L208-Y212 PolarHBondContact O-N 3.05Å; L208-Y212 VanDerWaalsContact O-N 3.15Å; I209-Y212 WeakPolarHBondContact O-CB 3.41Å; I209-Y212 PolarHBondContact O-N 3.33Å; Q210-Y212 VanDerWaalsContact C-N 3.34Å; Y212-F214 VanDerWaalsContact C-N 3.26Å; Y212-F214 PolarHBondContact O-N 3.48Å; Y212-T215 PolarHBondContact O-N 2.67Å; Y212-T215 VanDerWaalsContact O-N 3.16Å; Y212-T215 PolarHBondContact O-OG1 2.9Å; Y212-L216 HydrophobicContact CE1-CD1 3.64Å; Y212-L216 WeakPolarHBondContact O-CB 3.45Å; Y212-L216 PolarHBondContact O-N 3.48Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.2Å
213V89.8Confident87.5Confident42 Ų4240.3 Ų40.326%0.25521%0.211SC..Hα-helixtrans-59.4-38.4-180172.10000111.3I209 L216 L217I209-V213 HydrophobicContact CG2-CG2 4.04Å; I209-V213 WeakPolarHBondContact O-CG2 3.34Å; I209-V213 PolarHBondContact O-N 3.29Å; V213-L216 PolarHBondContact O-N 3.27Å; V213-L217 HydrophobicContact CG1-CD1 3.89Å; V213-L217 WeakPolarHBondContact O-CG 3.35Å; V213-L217 PolarHBondContact O-N 3.18Å
214F87.3Confident86.9Confident0 Ų043.3 Ų43.30%023%0.227CC..Hα-helixtrans-56.9-55.3174.5-169.9-70.9000111.2L75 I79 A105 L108 L156 L160 Q210 Y212 L216 L217 V218L75-F214 HydrophobicContact CD2-CD1 3.47Å; L75-F214 VanDerWaalsContact CD2-CD1 3.47Å; L75-F214 HydrophobicContact CD2-CE1 3.42Å; L75-F214 VanDerWaalsContact CD2-CE1 3.42Å; I79-F214 HydrophobicContact CD1-CB 4.21Å; I79-F214 HydrophobicContact CD1-CD1 3.57Å; I79-F214 HydrophobicContact CD1-CD2 4.24Å; I79-F214 HydrophobicContact CD1-CE1 3.98Å; I79-F214 HydrophobicContact CD1-CG 3.73Å; I79-F214 HydrophobicContact CD1-CZ 4.43Å; A105-F214 HydrophobicContact CB-CE2 4.39Å; A105-F214 HydrophobicContact CB-CZ 4.08Å; L108-F214 HydrophobicContact CD1-CE1 4.1Å; L156-F214 HydrophobicContact CD1-CD2 4.32Å; L156-F214 HydrophobicContact CD2-CD1 3.91Å; L156-F214 HydrophobicContact CD2-CD2 3.32Å; L156-F214 HydrophobicContact CD2-CE1 3.76Å; L156-F214 HydrophobicContact CD2-CE2 3.21Å; L156-F214 HydrophobicContact CD2-CG 3.69Å; L156-F214 HydrophobicContact CD2-CZ 3.45Å; L156-F214 VanDerWaalsContact CD2-CZ 3.45Å; L156-F214 HydrophobicContact CG-CD2 3.51Å; L156-F214 HydrophobicContact CG-CE2 3.69Å; L156-F214 HydrophobicContact CG-CG 4.13Å; L156-F214 HydrophobicContact CG-CZ 4.41Å; L160-F214 HydrophobicContact CD2-CD2 4.43Å; Q210-F214 VanDerWaalsContact O-CB 3.32Å; Q210-F214 WeakPolarHBondContact O-CB 3.44Å; Q210-F214 PolarHBondContact O-N 2.96Å; Y212-F214 VanDerWaalsContact C-N 3.26Å; Y212-F214 PolarHBondContact O-N 3.48Å; F214-L216 PolarHBondContact O-N 2.99Å; F214-L217 PolarHBondContact O-N 3.24Å; F214-V218 HydrophobicContact CD1-CG2 4.15Å; F214-V218 HydrophobicContact CE1-CG2 3.91Å; F214-V218 WeakPolarHBondContact O-CG2 3.47Å; F214-V218 PolarHBondContact O-N 3.14Å
215T88.6Confident86Confident0 Ų040.8 Ų40.80%022%0.215CC..Hα-helixtrans-67.2-35.6-178.849.70000114M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.48Å; L75-T215 HydrophobicContact CB-CG2 4.05Å; L75-T215 HydrophobicContact CD2-CG2 3.63Å; L75-T215 HydrophobicContact CG-CG2 4.27Å; I76-T215 HydrophobicContact CB-CG2 3.54Å; I76-T215 HydrophobicContact CG1-CG2 4.3Å; A211-T215 PolarHBondContact O-N 3.34Å; A211-T215 PolarHBondContact O-OG1 3.34Å; A211-T215 VanDerWaalsContact O-OG1 3.14Å; Y212-T215 PolarHBondContact O-N 2.67Å; Y212-T215 VanDerWaalsContact O-N 3.16Å; Y212-T215 PolarHBondContact O-OG1 2.9Å; T215-V218 PolarHBondContact O-N 3.14Å; T215-S219 WeakPolarHBondContact O-CB 3.15Å; T215-S219 PolarHBondContact O-N 3.1Å
216L87.7Confident84.9Confident62 Ų6240.4 Ų40.433%0.32521%0.208SC..Hα-helixtrans-63.1-45.1177.7-174.9148.4000110.9Y212 V213 F214 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.64Å; Y212-L216 WeakPolarHBondContact O-CB 3.45Å; Y212-L216 PolarHBondContact O-N 3.48Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.2Å; V213-L216 PolarHBondContact O-N 3.27Å; F214-L216 PolarHBondContact O-N 2.99Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.48Å; L216-S219 PolarHBondContact O-N 3Å; L216-S219 PolarHBondContact O-OG 3.24Å; L216-L220 WeakPolarHBondContact O-CB 3.39Å; L216-L220 PolarHBondContact O-N 3.32Å
217L86Confident84.6Confident35 Ų3540.5 Ų40.518%0.18321%0.207CC..Hα-helixtrans-63.2-43.6177.4-76.2166.7000111.7L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 4.04Å; L156-L217 HydrophobicContact CD1-CD1 3.33Å; L156-L217 HydrophobicContact CD1-CG 4.31Å; V213-L217 HydrophobicContact CG1-CD1 3.89Å; V213-L217 WeakPolarHBondContact O-CG 3.35Å; V213-L217 PolarHBondContact O-N 3.18Å; F214-L217 PolarHBondContact O-N 3.24Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.11Å; L217-L220 PolarHBondContact O-N 3.03Å; L217-L220 VanDerWaalsContact O-N 3.16Å; L217-Y221 HydrophobicContact CB-CE2 4.11Å; L217-Y221 WeakPolarHBondContact O-CD2 3.5Å; L217-Y221 WeakPolarHBondContact O-CE2 3.41Å; L217-Y221 PolarHBondContact O-N 3.33Å
218V85Confident84.3Confident8 Ų842.4 Ų42.45%0.04822%0.216CC..Hα-helixtrans-59-41.3173.5177.30000111.5L72 L108 L156 F214 T215 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.25Å; L72-V218 HydrophobicContact CD2-CG1 3.83Å; L108-V218 HydrophobicContact CB-CG1 4.37Å; L156-V218 HydrophobicContact CD2-CG2 4.37Å; F214-V218 HydrophobicContact CD1-CG2 4.15Å; F214-V218 HydrophobicContact CE1-CG2 3.91Å; F214-V218 WeakPolarHBondContact O-CG2 3.47Å; F214-V218 PolarHBondContact O-N 3.14Å; T215-V218 PolarHBondContact O-N 3.14Å; V218-Y221 PolarHBondContact O-N 2.99Å; V218-L222 PolarHBondContact O-N 3.2Å
219S85.8Confident84Confident10 Ų1038.6 Ų38.67%0.0720%0.195CC..Hα-helixtrans-65.9-38.3176.887.70000112.3H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact NE2-O 2.8Å; T215-S219 WeakPolarHBondContact O-CB 3.15Å; T215-S219 PolarHBondContact O-N 3.1Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.48Å; L216-S219 PolarHBondContact O-N 3Å; L216-S219 PolarHBondContact O-OG 3.24Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.11Å; S219-L222 WeakPolarHBondContact O-CB 3.48Å; S219-L222 PolarHBondContact O-N 3.32Å; S219-H223 PolarHBondContact O-N 2.96Å
220L83.9Confident83.6Confident74 Ų7435.1 Ų35.139%0.38718%0.177SC..Hα-helixtrans-66.6-41.2177.5-173149000110.7L216 L217 L222 H223 D224L216-L220 WeakPolarHBondContact O-CB 3.39Å; L216-L220 PolarHBondContact O-N 3.32Å; L217-L220 PolarHBondContact O-N 3.03Å; L217-L220 VanDerWaalsContact O-N 3.16Å; L220-L222 VanDerWaalsContact C-N 3.28Å; L220-L222 PolarHBondContact O-N 3.41Å; L220-H223 WeakPolarHBondContact O-CB 3.44Å; L220-H223 PolarHBondContact O-N 2.89Å; L220-H223 VanDerWaalsContact O-N 3.11Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.44Å; L220-D224 PolarHBondContact O-N 3.47Å
221Y79.6Confident83.3Confident21 Ų2136.6 Ų36.68%0.08219%0.185CC..Hα-helixtrans-60.4-39.7172-62.9-48000112.4Q152 L217 V218 H223 N225Q152-Y221 HydrophobicContact CG-CE1 4.42Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.37Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.31Å; Q152-Y221 PolarHBondContact NE2-OH 3.37Å; Q152-Y221 PolarHBondContact OE1-OH 3.45Å; L217-Y221 HydrophobicContact CB-CE2 4.11Å; L217-Y221 WeakPolarHBondContact O-CD2 3.5Å; L217-Y221 WeakPolarHBondContact O-CE2 3.41Å; L217-Y221 PolarHBondContact O-N 3.33Å; V218-Y221 PolarHBondContact O-N 2.99Å; Y221-H223 VanDerWaalsContact C-N 3.32Å; Y221-N225 VanDerWaalsContact O-CB 3.3Å; Y221-N225 WeakPolarHBondContact O-CB 3.28Å; Y221-N225 PolarHBondContact O-N 3.17Å; Y221-N225 VanDerWaalsContact O-N 3.12Å; Y221-N225 PolarHBondContact O-ND2 3.39Å
222L80.9Confident82.9Confident2 Ų238.9 Ų38.91%0.0120%0.197CC..Hα-helixtrans-64.6-41.7176-168.175.4000110.8W68 A112 M115 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.47Å; W68-L222 VanDerWaalsContact CB-CD2 3.47Å; W68-L222 HydrophobicContact CD2-CD1 3.74Å; W68-L222 HydrophobicContact CD2-CD2 4.15Å; W68-L222 HydrophobicContact CE3-CD1 3.98Å; W68-L222 HydrophobicContact CE3-CD2 4.5Å; W68-L222 HydrophobicContact CG-CD1 3.98Å; W68-L222 HydrophobicContact CG-CD2 3.63Å; W68-L222 HydrophobicContact CG-CG 4.48Å; A112-L222 HydrophobicContact CB-CD1 4.42Å; M115-L222 HydrophobicContact SD-CD1 4.21Å; V218-L222 PolarHBondContact O-N 3.2Å; S219-L222 WeakPolarHBondContact O-CB 3.48Å; S219-L222 PolarHBondContact O-N 3.32Å; L220-L222 VanDerWaalsContact C-N 3.28Å; L220-L222 PolarHBondContact O-N 3.41Å; L222-N225 PolarHBondContact O-N 3.26Å; L222-T226 HydrophobicContact CD1-CG2 4.44Å; L222-T226 HydrophobicContact CG-CG2 4.27Å; L222-T226 WeakPolarHBondContact O-CB 3.32Å; L222-T226 WeakPolarHBondContact O-CG2 3.4Å; L222-T226 PolarHBondContact O-N 3.27Å; L222-T226 VanDerWaalsContact O-N 3.12Å; L222-T226 PolarHBondContact O-OG1 3.38Å
223H80.9Confident82.4Confident90 Ų9034.7 Ų34.742%0.41718%0.183SC..Hα-helixtrans-59.2-52.1176.2-174.885.6000111.6M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 3.34Å; M60-H223 PolarHBondContact O-ND1 3.13Å; S219-H223 PolarHBondContact O-N 2.96Å; L220-H223 WeakPolarHBondContact O-CB 3.44Å; L220-H223 PolarHBondContact O-N 2.89Å; L220-H223 VanDerWaalsContact O-N 3.11Å; Y221-H223 VanDerWaalsContact C-N 3.32Å; H223-N225 PolarHBondContact O-N 2.81Å; H223-T226 PolarHBondContact O-N 3.48Å; H223-T226 VanDerWaalsContact O-N 3.1Å; H223-T226 PolarHBondContact O-OG1 3.48Å
224D77Confident81.8Confident75 Ų7534.2 Ų34.240%0.40118%0.178SC..Hα-helixtrans-60.7-31.2-179.3-65.4-15.3000112.6L220L220-D224 WeakPolarHBondContact CD2-OD2 3.44Å; L220-D224 PolarHBondContact O-N 3.47Å
225N73Confident81.4Confident31 Ų3137 Ų3717%0.16619%0.193CC..THydrogen-bonded Turntrans-90.8-1.9179.9-74.6-72.4000114.4G116 Y221 L222 H223G116-N225 WeakPolarHBondContact CA-O 3.27Å; Y221-N225 VanDerWaalsContact O-CB 3.3Å; Y221-N225 WeakPolarHBondContact O-CB 3.28Å; Y221-N225 PolarHBondContact O-N 3.17Å; Y221-N225 VanDerWaalsContact O-N 3.12Å; Y221-N225 PolarHBondContact O-ND2 3.39Å; L222-N225 PolarHBondContact O-N 3.26Å; H223-N225 PolarHBondContact O-N 2.81Å
226T68.3Low80.7Confident36 Ų3640.4 Ų40.422%0.22121%0.21CC..  trans-107.60-178.154.30000115M115 K120 L222 H223M115-T226 HydrophobicContact CE-CG2 4.44Å; K120-T226 WeakPolarHBondContact CE-O 3.46Å; K120-T226 VanDerWaalsContact NZ-C 3.32Å; K120-T226 PolarHBondContact NZ-O 3.35Å; K120-T226 PolarHBondContact NZ-OXT 3.44Å; K120-T226 VanDerWaalsContact NZ-OXT 3.15Å; L222-T226 HydrophobicContact CD1-CG2 4.44Å; L222-T226 HydrophobicContact CG-CG2 4.27Å; L222-T226 WeakPolarHBondContact O-CB 3.32Å; L222-T226 WeakPolarHBondContact O-CG2 3.4Å; L222-T226 PolarHBondContact O-N 3.27Å; L222-T226 VanDerWaalsContact O-N 3.12Å; L222-T226 PolarHBondContact O-OG1 3.38Å; H223-T226 PolarHBondContact O-N 3.48Å; H223-T226 VanDerWaalsContact O-N 3.1Å; H223-T226 PolarHBondContact O-OG1 3.48Å

Retrieved 226 of 226 residues in 41.4 ms (Link to these results)

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