A0A068BKC1_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A068BKC1, 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
1M57Low74.2Confident198 Ų19898.4 Ų98.498%0.97553%0.531SS*.  0-39.30-74.5173.6105.200112.5E3 N4M1-E3 PolarHBondContact O-N 3Å; M1-N4 PolarHBondContact O-N 3.49Å
2N54Low75Confident139 Ų13993.5 Ų93.574%0.74351%0.508SS*.Hα-helixtrans-59-39.1-177.4-78.617.5000115.4
3E61.7Low75.9Confident162 Ų16293.9 Ų93.976%0.75752%0.516SS*.Hα-helixtrans-80.4-22.9-177.7-60.8-134.2153.300113.9M1 L5 F6 A7M1-E3 PolarHBondContact O-N 3Å; E3-L5 VanDerWaalsContact C-N 3.27Å; E3-L5 PolarHBondContact O-N 3.43Å; E3-F6 PolarHBondContact O-N 3.19Å; E3-A7 PolarHBondContact O-N 3.36Å; E3-A7 VanDerWaalsContact O-N 3.1Å
4N75.3Confident76.7Confident118 Ų11893.7 Ų93.763%0.63152%0.518SS*.Hα-helixtrans-69.1-28.4-176.6-65.66.2000112.1M1 F6M1-N4 PolarHBondContact O-N 3.49Å; N4-F6 VanDerWaalsContact C-N 3.34Å
5L75.5Confident77.3Confident45 Ų4599.1 Ų99.124%0.23655%0.545CS..Hα-helixtrans-67.9-35.5176.7-67.4177.9000112.1E3 H172 L173E3-L5 VanDerWaalsContact C-N 3.27Å; E3-L5 PolarHBondContact O-N 3.43Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.25Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.28Å; L5-L173 HydrophobicContact CD1-CD2 4.11Å; L5-L173 HydrophobicContact CD2-CD2 4.39Å
6F81.9Confident77.7Confident117 Ų11797.3 Ų97.351%0.51356%0.556SS.*Hα-helixtrans-93.2-9.8-177-67-75.6000113.6E3 N4 S8 F9 L169E3-F6 PolarHBondContact O-N 3.19Å; N4-F6 VanDerWaalsContact C-N 3.34Å; F6-S8 PolarHBondContact O-N 3.4Å; F6-S8 VanDerWaalsContact O-N 3.13Å; F6-F9 HydrophobicContact CD1-CD2 4.01Å; F6-F9 HydrophobicContact CD1-CE2 4.39Å; F6-F9 PolarHBondContact O-N 3.41Å; F6-L169 HydrophobicContact CD1-CD2 4.43Å; F6-L169 HydrophobicContact CE1-CD1 4.14Å; F6-L169 HydrophobicContact CE1-CD2 4.07Å
7A80.1Confident78.2Confident55 Ų5599.1 Ų99.146%0.45556%0.562SS.*G310 helixtrans-55.4-32.318000000113.1E3 F9 I10E3-A7 PolarHBondContact O-N 3.36Å; E3-A7 VanDerWaalsContact O-N 3.1Å; A7-F9 VanDerWaalsContact C-N 3.27Å; A7-F9 PolarHBondContact O-N 2.82Å; A7-I10 PolarHBondContact O-N 3.47Å
8S79.3Confident78.6Confident58 Ų5897.9 Ų97.941%0.40656%0.56SS.*G310 helixtrans-68.9-20.3176.656.70000114.2F6 F92F6-S8 PolarHBondContact O-N 3.4Å; F6-S8 VanDerWaalsContact O-N 3.13Å; S8-F92 WeakPolarHBondContact O-CD2 3.38Å
9F82.6Confident79Confident23 Ų2393.6 Ų93.610%0.10154%0.537CS..G310 helixtrans-94-9.8178.3-58.8-71000112.9F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 HydrophobicContact CD1-CD2 4.01Å; F6-F9 HydrophobicContact CD1-CE2 4.39Å; F6-F9 PolarHBondContact O-N 3.41Å; A7-F9 VanDerWaalsContact C-N 3.27Å; A7-F9 PolarHBondContact O-N 2.82Å; F9-A11 PolarHBondContact O-N 3.35Å; F9-T96 HydrophobicContact CD1-CG2 3.84Å; F9-T96 HydrophobicContact CE1-CG2 3.72Å; F9-Q97 PolarHBondContact O-NE2 3.41Å; F9-T165 HydrophobicContact CD1-CG2 4.42Å; F9-T165 HydrophobicContact CE1-CG2 4.12Å; F9-H168 HydrophobicContact CE1-CB 4.14Å; F9-H168 HydrophobicContact CZ-CB 3.85Å; F9-L169 HydrophobicContact CE2-CD1 4.44Å; F9-L169 HydrophobicContact CE2-CD2 3.67Å; F9-L169 HydrophobicContact CE2-CG 3.76Å; F9-L169 HydrophobicContact CZ-CD2 4.29Å; F9-L169 HydrophobicContact CZ-CG 3.91Å
10I84.7Confident79.3Confident114 Ų11489.9 Ų89.959%0.58552%0.518SS*.SBendtrans-70.1129.6178.1-59.8175.2000108.5A7 P12A7-I10 PolarHBondContact O-N 3.47Å; I10-P12 WeakPolarHBondContact O-CD 2.94Å
11A83.7Confident79.6Confident53 Ų5389.5 Ų89.544%0.43852%0.517SS..PPolyproline II helixtrans-59121.1179.800000110.2F9 T13 F92F9-A11 PolarHBondContact O-N 3.35Å; A11-T13 PolarHBondContact O-N 3.25Å; A11-F92 HydrophobicContact CB-CZ 4.47Å
12P84.1Confident81Confident40 Ų4086.4 Ų86.426%0.2650%0.504SS..PPolyproline II helixtrans-70.9129.2-174.126.6-33.1000110.1I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 2.94Å; P12-A19 HydrophobicContact CB-CB 4.24Å; P12-A19 HydrophobicContact CG-CB 4.34Å; P12-A19 WeakPolarHBondContact O-CB 3.28Å; P12-A19 PolarHBondContact O-N 3.49Å; P12-I23 HydrophobicContact CG-CD1 3.64Å; P12-F92 HydrophobicContact CG-CB 4.38Å; P12-F92 HydrophobicContact CG-CD1 4.15Å; P12-F92 HydrophobicContact CG-CG 4.1Å
13T86.9Confident82.6Confident99 Ų9982.1 Ų82.161%0.60748%0.48SS*.EExtended strand (participates in β ladder)trans-118.4127.7170.954.70000108.6A11 L17A11-T13 PolarHBondContact O-N 3.25Å; T13-L17 CarbonylContact C-O 3.57Å; T13-L17 VanDerWaalsContact CA-O 3.28Å; T13-L17 WeakPolarHBondContact CA-O 3.07Å
14V86.9Confident83.9Confident91 Ų9176.9 Ų76.955%0.55246%0.457SS*.EExtended strand (participates in β ladder)trans-114.6122.4176.2176.30000106.9G16 L17 A19V14-G16 PolarHBondContact O-N 3.41Å; V14-G16 VanDerWaalsContact O-N 3.14Å; V14-L17 PolarHBondContact N-O 3Å; V14-L17 PolarHBondContact O-N 2.85Å; V14-A19 HydrophobicContact CB-CB 4.45Å; V14-A19 HydrophobicContact CG2-CB 3.92Å
15L85.5Confident84.5Confident174 Ų17476.6 Ų76.691%0.91146%0.455SS*.THydrogen-bonded Turntrans5432-179.1-64.2162.4000113.6L17L15-L17 VanDerWaalsContact C-N 3.27Å; L15-L17 PolarHBondContact O-N 3Å
16G84.3Confident85.1Confident70 Ų7079 Ų7972%0.72246%0.463SS*.THydrogen-bonded Turntrans80.4-2.8-177.600000115.2V14V14-G16 PolarHBondContact O-N 3.41Å; V14-G16 VanDerWaalsContact O-N 3.14Å
17L85.3Confident85.4Confident128 Ų12873.5 Ų73.567%0.6744%0.44SS*.EExtended strand (participates in β ladder)trans-93140.8172.7-64.9169.8000110.9T13 V14 L15 A19T13-L17 CarbonylContact C-O 3.57Å; T13-L17 VanDerWaalsContact CA-O 3.28Å; T13-L17 WeakPolarHBondContact CA-O 3.07Å; V14-L17 PolarHBondContact N-O 3Å; V14-L17 PolarHBondContact O-N 2.85Å; L15-L17 VanDerWaalsContact C-N 3.27Å; L15-L17 PolarHBondContact O-N 3Å; L17-A19 PolarHBondContact O-N 3.31Å
18P85.3Confident85.7Confident79 Ų7974.3 Ų74.351%0.51344%0.44SS..EExtended strand (participates in β ladder)trans-70.4102.7177.628.7-33.4000110.5A20 V21P18-A20 PolarHBondContact O-N 3.36Å; P18-V21 HydrophobicContact CG-CG2 4.26Å; P18-V21 PolarHBondContact O-N 2.93Å
19A86.3Confident86.1Confident16 Ų1678.2 Ų78.213%0.13246%0.456CS..THydrogen-bonded Turntrans-69.6-16.117700000112.3P12 V14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.24Å; P12-A19 HydrophobicContact CG-CB 4.34Å; P12-A19 WeakPolarHBondContact O-CB 3.28Å; P12-A19 PolarHBondContact O-N 3.49Å; V14-A19 HydrophobicContact CB-CB 4.45Å; V14-A19 HydrophobicContact CG2-CB 3.92Å; L17-A19 PolarHBondContact O-N 3.31Å; A19-V21 PolarHBondContact O-N 3.13Å; A19-V21 VanDerWaalsContact O-N 3.16Å; A19-L22 PolarHBondContact O-N 3.43Å; A19-L22 VanDerWaalsContact O-N 3.13Å; A19-I23 PolarHBondContact O-N 3.41Å
20A85.8Confident86.4Confident19 Ų1980.8 Ų80.816%0.15747%0.47CS..Hα-helixtrans-53.2-33.1173.100000113.1P18 I23 I24 F92P18-A20 PolarHBondContact O-N 3.36Å; A20-I23 PolarHBondContact O-N 3.26Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.35Å; A20-I24 PolarHBondContact O-N 2.96Å; A20-F92 HydrophobicContact CB-CE1 4.36Å
21V85.6Confident86.5Confident82 Ų8278 Ų7850%0.49746%0.456SS..Hα-helixtrans-64.6-42.6179.4-1790000111.4P18 A19 I23 I24 L25P18-V21 HydrophobicContact CG-CG2 4.26Å; P18-V21 PolarHBondContact O-N 2.93Å; A19-V21 PolarHBondContact O-N 3.13Å; A19-V21 VanDerWaalsContact O-N 3.16Å; V21-I23 VanDerWaalsContact C-N 3.3Å; V21-I23 PolarHBondContact O-N 2.98Å; V21-I24 PolarHBondContact O-N 3.36Å; V21-L25 HydrophobicContact CG1-CD1 4.12Å; V21-L25 WeakPolarHBondContact O-CG 3.47Å; V21-L25 PolarHBondContact O-N 3.1Å; V21-L25 VanDerWaalsContact O-N 3.08Å
22L86.6Confident86.7Confident133 Ų13378.2 Ų78.270%0.69645%0.453SS*.Hα-helixtrans-62.4-40.4176.1-81.4160.5000111.4A19 L25 F26A19-L22 PolarHBondContact O-N 3.43Å; A19-L22 VanDerWaalsContact O-N 3.13Å; L22-L25 PolarHBondContact O-N 2.99Å; L22-F26 PolarHBondContact O-N 2.99Å
23I88Confident86.9Confident49 Ų4982.7 Ų82.725%0.25148%0.48SS..Hα-helixtrans-66.4-41179.5-59.5170.8000110.7P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.64Å; A19-I23 PolarHBondContact O-N 3.41Å; A20-I23 PolarHBondContact O-N 3.26Å; V21-I23 VanDerWaalsContact C-N 3.3Å; V21-I23 PolarHBondContact O-N 2.98Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.46Å; I23-F26 WeakPolarHBondContact O-CB 3.19Å; I23-F26 PolarHBondContact O-N 2.95Å; I23-P27 WeakPolarHBondContact O-CD 3.12Å; I23-F92 HydrophobicContact CD1-CB 4.03Å; I23-F92 HydrophobicContact CD1-CD1 3.91Å; I23-F92 HydrophobicContact CD1-CG 4.36Å; I23-F92 HydrophobicContact CG2-CD1 4.47Å; I23-F92 WeakPolarHBondContact CG2-O 3.2Å
24I88.6Confident86.9Confident51 Ų5179.8 Ų79.826%0.26246%0.464SS..Hα-helixtrans-65.4-32.6176.5-68.1163.7000111.8A20 V21 F26 P27 F78 P94 M100A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.35Å; A20-I24 PolarHBondContact O-N 2.96Å; V21-I24 PolarHBondContact O-N 3.36Å; I24-F26 VanDerWaalsContact C-N 3.34Å; I24-P27 WeakPolarHBondContact O-CD 3.41Å; I24-F78 HydrophobicContact CG2-CZ 4.33Å; I24-P94 HydrophobicContact CD1-CB 4.26Å; I24-P94 HydrophobicContact CG1-CB 3.68Å; I24-P94 HydrophobicContact CG1-CG 4.04Å; I24-M100 HydrophobicContact CD1-SD 4.45Å; I24-M100 HydrophobicContact CG2-CE 4.33Å
25L87.5Confident86.9Confident113 Ų11385.5 Ų85.559%0.59248%0.481SS*.Hα-helixtrans-81.6-10.4178.6-71.3172.2000114V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.12Å; V21-L25 WeakPolarHBondContact O-CG 3.47Å; V21-L25 PolarHBondContact O-N 3.1Å; V21-L25 VanDerWaalsContact O-N 3.08Å; L22-L25 PolarHBondContact O-N 2.99Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.46Å; L25-P28 WeakPolarHBondContact O-CD 3.3Å
26F88.7Confident86.9Confident94 Ų9486 Ų8641%0.41247%0.472SS..Hα-helixtrans-69.7-44.1-177.2-169.3-95.7000115L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 2.99Å; I23-F26 WeakPolarHBondContact O-CB 3.19Å; I23-F26 PolarHBondContact O-N 2.95Å; I24-F26 VanDerWaalsContact C-N 3.34Å; F26-L29 VanDerWaalsContact O-CB 3.29Å; F26-L29 WeakPolarHBondContact O-CB 3.42Å; F26-L29 PolarHBondContact O-N 3.28Å; F26-L30 HydrophobicContact CD1-CD1 4.23Å; F26-L30 HydrophobicContact CD1-CG 4.45Å; F26-L30 HydrophobicContact CE1-CD1 4.02Å; F26-L30 HydrophobicContact CE1-CD2 4.05Å; F26-L30 HydrophobicContact CE1-CG 4.14Å; F26-L30 HydrophobicContact CZ-CD2 4.42Å; F26-L85 HydrophobicContact CD1-CD1 4.26Å; F26-L85 HydrophobicContact CD1-CD2 3.45Å; F26-L85 VanDerWaalsContact CD1-CD2 3.45Å; F26-L85 HydrophobicContact CD1-CG 4.48Å; F26-L85 HydrophobicContact CE1-CD1 4.11Å; F26-L85 HydrophobicContact CE1-CD2 3.86Å; F26-L85 HydrophobicContact CG-CD2 4.46Å
27P88.8Confident86.7Confident2 Ų291 Ų911%0.01348%0.481CS..Hα-helixtrans-57.1-41.6-177.6-15.321.7000115.2I23 I24 L29 L30 T81 T82I23-P27 WeakPolarHBondContact O-CD 3.12Å; I24-P27 WeakPolarHBondContact O-CD 3.41Å; P27-L29 PolarHBondContact O-N 3.44Å; P27-L30 WeakPolarHBondContact O-CB 3.35Å; P27-L30 PolarHBondContact O-N 3.1Å; P27-L30 VanDerWaalsContact O-N 3.07Å; P27-T81 WeakPolarHBondContact CB-OG1 3.3Å; P27-T82 HydrophobicContact CB-CG2 4.24Å; P27-T82 HydrophobicContact CG-CG2 3.46Å; P27-T82 VanDerWaalsContact CG-CG2 3.46Å
28P85.2Confident86.7Confident73 Ų7392.4 Ų92.447%0.47449%0.488SS..Hα-helixtrans-55.5-32.8173.6-27.233.4000114.1L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.3Å; P28-L30 PolarHBondContact O-N 3.05Å; P28-I31 PolarHBondContact O-N 3.42Å
29L88.3Confident86.9Confident139 Ų13989.8 Ų89.873%0.72847%0.47SS*.Hα-helixtrans-67.9-24.5179.7-168.967.2000112.5F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.29Å; F26-L29 WeakPolarHBondContact O-CB 3.42Å; F26-L29 PolarHBondContact O-N 3.28Å; P27-L29 PolarHBondContact O-N 3.44Å; L29-I31 PolarHBondContact O-N 2.76Å
30L87.8Confident87.1Confident77 Ų7794.4 Ų94.440%0.40349%0.492SS..THydrogen-bonded Turntrans-75.4-6.8178.1-62.5171.5000113.4F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CD1-CD1 4.23Å; F26-L30 HydrophobicContact CD1-CG 4.45Å; F26-L30 HydrophobicContact CE1-CD1 4.02Å; F26-L30 HydrophobicContact CE1-CD2 4.05Å; F26-L30 HydrophobicContact CE1-CG 4.14Å; F26-L30 HydrophobicContact CZ-CD2 4.42Å; P27-L30 WeakPolarHBondContact O-CB 3.35Å; P27-L30 PolarHBondContact O-N 3.1Å; P27-L30 VanDerWaalsContact O-N 3.07Å; P28-L30 PolarHBondContact O-N 3.05Å; L30-P32 VanDerWaalsContact C-CD 3.44Å; L30-P32 WeakPolarHBondContact O-CD 3.27Å; L30-Q46 PolarHBondContact O-NE2 3.47Å; L30-L85 HydrophobicContact CD1-CD1 3.36Å
31I88.5Confident87.3Confident55 Ų55103.5 Ų103.528%0.28252%0.523SS..SBendtrans-108.683.2-178-52.6169.2000108.4P28 L29 T33 I77P28-I31 PolarHBondContact O-N 3.42Å; L29-I31 PolarHBondContact O-N 2.76Å; I31-T33 PolarHBondContact O-N 3.37Å; I31-I77 HydrophobicContact CD1-CG2 3.33Å
32P87.4Confident87.5Confident58 Ų58103.8 Ų103.838%0.37752%0.521SS..  trans-68.8135.2179.127.8-34.3000111.1L30 L42 I43L30-P32 VanDerWaalsContact C-CD 3.44Å; L30-P32 WeakPolarHBondContact O-CD 3.27Å; P32-L42 HydrophobicContact CG-CD2 3.56Å; P32-I43 HydrophobicContact CB-CD1 4.48Å; P32-I43 HydrophobicContact CB-CG1 4.44Å; P32-I43 HydrophobicContact CG-CD1 4.46Å; P32-I43 HydrophobicContact CG-CG1 3.96Å
33T87.3Confident87.7Confident135 Ų13598.3 Ų98.383%0.82849%0.492SS*.  trans-100.5134.3170.659.70000110.1I31I31-T33 PolarHBondContact O-N 3.37Å
34S87.4Confident87.9Confident38 Ų3899 Ų9927%0.26650%0.498SS..  trans-115.4145.1171169.60000111.1Y36 N39S34-Y36 PolarHBondContact OG-N 2.94Å; S34-Y36 VanDerWaalsContact OG-N 3.09Å; S34-N39 WeakPolarHBondContact CB-OD1 3.22Å; S34-N39 PolarHBondContact OG-OD1 3.23Å
35K85.9Confident88.1Confident211 Ų211100.2 Ų100.292%0.91751%0.508SS*.  trans-86.6-13.3174.9-62.2-178.6-178.5178.80112.9
36Y86.9Confident88.3Confident183 Ų18396.9 Ų96.972%0.71849%0.49SS*.SBendtrans-80.9153.5-175.4-60.6-73.7000112.1S34 N39S34-Y36 PolarHBondContact OG-N 2.94Å; S34-Y36 VanDerWaalsContact OG-N 3.09Å; Y36-N39 PolarHBondContact O-ND2 2.96Å; Y36-N39 PolarHBondContact O-OD1 3.27Å
37L79.3Confident88.4Confident176 Ų17697.1 Ų97.192%0.92149%0.492SS*.SBendtrans-71-40177.3-173.672.9000111.6
38I85.6Confident88.6Confident157 Ų157104.9 Ų104.981%0.80552%0.521SS*.SBendtrans-102.2113.9174.9-58.9169.3000107.1
39N89.6Confident88.9Confident24 Ų24106.1 Ų106.113%0.12852%0.523CS..  trans-108.1168-174.7-73.4-22.3000112.5S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.22Å; S34-N39 PolarHBondContact OG-OD1 3.23Å; Y36-N39 PolarHBondContact O-ND2 2.96Å; Y36-N39 PolarHBondContact O-OD1 3.27Å; N39-I43 HydrophobicContact CB-CB 3.89Å; N39-I43 HydrophobicContact CB-CD1 4.45Å; N39-I43 HydrophobicContact CB-CG2 3.73Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.48Å; N39-T44 HydrophobicContact CB-CG2 4.19Å; N39-Q47 PolarHBondContact ND2-NE2 2.99Å
40N90.2Very high89.1Confident114 Ų114102.4 Ų102.461%0.6150%0.504SS*.  trans-63.1154.1172.8-164.81.5000111.2L42 I43 T44N40-L42 PolarHBondContact O-N 2.85Å; N40-L42 VanDerWaalsContact O-N 3.13Å; N40-I43 HydrophobicContact CB-CD1 4.4Å; N40-I43 PolarHBondContact O-N 3.45Å; N40-T44 PolarHBondContact O-N 3.28Å
41R89.9Confident89.2Confident210 Ų210106.2 Ų106.279%0.79252%0.517SS*.Hα-helixtrans-52.8-36.5-178.1-63.8-177.9-179-178.20.5113.2T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.25Å; R41-T44 PolarHBondContact O-OG1 3.37Å; R41-T45 WeakPolarHBondContact O-CG2 3.34Å; R41-T45 PolarHBondContact O-N 3.47Å; R41-T45 PolarHBondContact O-OG1 3.24Å
42L90.1Very high89.4Confident87 Ų87106.6 Ų106.646%0.45552%0.519SS..Hα-helixtrans-65.6-44.4177.2-173155000111.3P32 N40 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.56Å; N40-L42 PolarHBondContact O-N 2.85Å; N40-L42 VanDerWaalsContact O-N 3.13Å; L42-T45 PolarHBondContact O-N 3.27Å; L42-T45 PolarHBondContact O-OG1 3.31Å; L42-Q46 HydrophobicContact CD2-CG 4.22Å; L42-Q46 VanDerWaalsContact CD2-NE2 3.33Å; L42-Q46 WeakPolarHBondContact O-CB 3.43Å; L42-Q46 VanDerWaalsContact O-CG 3.27Å; L42-Q46 WeakPolarHBondContact O-CG 3.46Å; L42-Q46 PolarHBondContact O-N 3.45Å
43I91.9Very high89.5Confident19 Ų19105.3 Ų105.310%0.09751%0.51CS..Hα-helixtrans-70.2-37.2179.9-62.6165.6000110.4P32 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.48Å; P32-I43 HydrophobicContact CB-CG1 4.44Å; P32-I43 HydrophobicContact CG-CD1 4.46Å; P32-I43 HydrophobicContact CG-CG1 3.96Å; N39-I43 HydrophobicContact CB-CB 3.89Å; N39-I43 HydrophobicContact CB-CD1 4.45Å; N39-I43 HydrophobicContact CB-CG2 3.73Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.48Å; N40-I43 HydrophobicContact CB-CD1 4.4Å; N40-I43 PolarHBondContact O-N 3.45Å; I43-Q46 PolarHBondContact O-N 3.1Å; I43-Q47 HydrophobicContact CG2-CG 4.27Å; I43-Q47 WeakPolarHBondContact O-CB 3.3Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.36Å; I43-Q47 PolarHBondContact O-N 3.06Å
44T91.8Very high89.6Confident62 Ų62100.2 Ų100.238%0.3848%0.481SS..Hα-helixtrans-66.9-40.8177.759.10000112.2N39 N40 R41 Q47 W48N39-T44 HydrophobicContact CB-CG2 4.19Å; N40-T44 PolarHBondContact O-N 3.28Å; R41-T44 WeakPolarHBondContact CA-OG1 3.25Å; R41-T44 PolarHBondContact O-OG1 3.37Å; T44-Q47 PolarHBondContact O-N 3.12Å; T44-W48 WeakPolarHBondContact O-CB 3.49Å; T44-W48 PolarHBondContact O-N 3.31Å
45T91.7Very high89.7Confident78 Ų78106.1 Ų106.148%0.47950%0.501SS..Hα-helixtrans-66.1-40.3174.450.90000112.1R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.34Å; R41-T45 PolarHBondContact O-N 3.47Å; R41-T45 PolarHBondContact O-OG1 3.24Å; L42-T45 PolarHBondContact O-N 3.27Å; L42-T45 PolarHBondContact O-OG1 3.31Å; T45-W48 PolarHBondContact O-N 3.01Å; T45-L49 PolarHBondContact O-N 2.91Å
46Q91.6Very high89.8Confident43 Ų43102.2 Ų102.220%0.20149%0.486CS..Hα-helixtrans-60.8-49.5172.5-76.1177.2-19.200112.1L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 3.47Å; L42-Q46 HydrophobicContact CD2-CG 4.22Å; L42-Q46 VanDerWaalsContact CD2-NE2 3.33Å; L42-Q46 WeakPolarHBondContact O-CB 3.43Å; L42-Q46 VanDerWaalsContact O-CG 3.27Å; L42-Q46 WeakPolarHBondContact O-CG 3.46Å; L42-Q46 PolarHBondContact O-N 3.45Å; I43-Q46 PolarHBondContact O-N 3.1Å; Q46-W48 VanDerWaalsContact C-N 3.28Å; Q46-W48 PolarHBondContact O-N 3.23Å; Q46-L49 WeakPolarHBondContact O-CB 3.41Å; Q46-L49 PolarHBondContact O-N 3.14Å; Q46-I50 VanDerWaalsContact O-CG1 3.27Å; Q46-I50 WeakPolarHBondContact O-CG1 3.5Å; Q46-I50 PolarHBondContact O-N 3.13Å
47Q90.9Very high89.8Confident98 Ų9894 Ų9446%0.45845%0.454SS..Hα-helixtrans-60.5-38.4177.7-74.7176.1-12.700112N39 I43 T44 I50 K51N39-Q47 PolarHBondContact ND2-NE2 2.99Å; I43-Q47 HydrophobicContact CG2-CG 4.27Å; I43-Q47 WeakPolarHBondContact O-CB 3.3Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.36Å; I43-Q47 PolarHBondContact O-N 3.06Å; T44-Q47 PolarHBondContact O-N 3.12Å; Q47-I50 PolarHBondContact O-N 3.26Å; Q47-K51 VanDerWaalsContact O-CB 3.32Å; Q47-K51 WeakPolarHBondContact O-CB 3.27Å; Q47-K51 PolarHBondContact O-N 3.44Å
48W93Very high90.1Very high165 Ų16586.5 Ų86.563%0.62542%0.415SS*.Hα-helixtrans-63.9-45.4175.3-178.783.3000112T44 T45 Q46 K51 L52T44-W48 WeakPolarHBondContact O-CB 3.49Å; T44-W48 PolarHBondContact O-N 3.31Å; T45-W48 PolarHBondContact O-N 3.01Å; Q46-W48 VanDerWaalsContact C-N 3.28Å; Q46-W48 PolarHBondContact O-N 3.23Å; W48-K51 PolarHBondContact O-N 3.44Å; W48-L52 HydrophobicContact CD2-CD1 3.71Å; W48-L52 HydrophobicContact CD2-CG 4.39Å; W48-L52 VanDerWaalsContact CE2-CD1 3.47Å; W48-L52 HydrophobicContact CE3-CD1 3.75Å; W48-L52 HydrophobicContact CH2-CD1 3.41Å; W48-L52 VanDerWaalsContact CH2-CD1 3.41Å; W48-L52 HydrophobicContact CZ2-CD1 3.36Å; W48-L52 HydrophobicContact CZ2-CG 4.44Å; W48-L52 HydrophobicContact CZ3-CD1 3.6Å; W48-L52 WeakPolarHBondContact O-CG 3.29Å; W48-L52 PolarHBondContact O-N 2.87Å
49L91.6Very high90.1Very high99 Ų9982.7 Ų82.752%0.51841%0.407SS..Hα-helixtrans-59.8-45.8174.7-103.9160000112.4T45 Q46 K51 L52 T53T45-L49 PolarHBondContact O-N 2.91Å; Q46-L49 WeakPolarHBondContact O-CB 3.41Å; Q46-L49 PolarHBondContact O-N 3.14Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 2.83Å; L49-L52 PolarHBondContact O-N 3.44Å; L49-T53 WeakPolarHBondContact O-CG2 3.46Å; L49-T53 PolarHBondContact O-N 3.01Å; L49-T53 PolarHBondContact O-OG1 3.15Å
50I92Very high89.6Confident62 Ų6286.5 Ų86.532%0.31843%0.426SS..Hα-helixtrans-62.6-41.3177.8-66.8170.4000110.8Q46 Q47 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.27Å; Q46-I50 WeakPolarHBondContact O-CG1 3.5Å; Q46-I50 PolarHBondContact O-N 3.13Å; Q47-I50 PolarHBondContact O-N 3.26Å; I50-T53 WeakPolarHBondContact CA-OG1 3.01Å; I50-T53 PolarHBondContact O-OG1 3.47Å; I50-T53 VanDerWaalsContact O-OG1 3.05Å; I50-S54 VanDerWaalsContact O-CB 3.25Å; I50-S54 WeakPolarHBondContact O-CB 3.24Å; I50-S54 PolarHBondContact O-N 3.34Å; I50-S54 PolarHBondContact O-OG 3.36Å; I50-V73 HydrophobicContact CG2-CG1 3.89Å; I50-I77 HydrophobicContact CD1-CD1 4.03Å; I50-I77 HydrophobicContact CG1-CD1 3.73Å
51K91.7Very high89.3Confident156 Ų15681.3 Ų81.368%0.67840%0.398SS*.Hα-helixtrans-66.1-40.4178.3-172.9176.6-178.3178.90112.1Q47 W48 L49 S54 K55Q47-K51 VanDerWaalsContact O-CB 3.32Å; Q47-K51 WeakPolarHBondContact O-CB 3.27Å; Q47-K51 PolarHBondContact O-N 3.44Å; W48-K51 PolarHBondContact O-N 3.44Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 2.83Å; K51-S54 WeakPolarHBondContact CA-OG 3.32Å; K51-S54 PolarHBondContact O-OG 3.1Å; K51-S54 VanDerWaalsContact O-OG 3.08Å; K51-K55 VanDerWaalsContact O-CB 3.23Å; K51-K55 WeakPolarHBondContact O-CB 3.19Å; K51-K55 PolarHBondContact O-N 3.46Å; K51-K55 VanDerWaalsContact O-N 3.07Å
52L92.3Very high88.9Confident63 Ų6376.4 Ų76.433%0.3339%0.387SS..Hα-helixtrans-66.4-50.8177.6-75.9176.8000112.2W48 L49 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.71Å; W48-L52 HydrophobicContact CD2-CG 4.39Å; W48-L52 VanDerWaalsContact CE2-CD1 3.47Å; W48-L52 HydrophobicContact CE3-CD1 3.75Å; W48-L52 HydrophobicContact CH2-CD1 3.41Å; W48-L52 VanDerWaalsContact CH2-CD1 3.41Å; W48-L52 HydrophobicContact CZ2-CD1 3.36Å; W48-L52 HydrophobicContact CZ2-CG 4.44Å; W48-L52 HydrophobicContact CZ3-CD1 3.6Å; W48-L52 WeakPolarHBondContact O-CG 3.29Å; W48-L52 PolarHBondContact O-N 2.87Å; L49-L52 PolarHBondContact O-N 3.44Å; L52-K55 PolarHBondContact O-N 3.2Å; L52-Q56 WeakPolarHBondContact O-CG 3.18Å; L52-Q56 PolarHBondContact O-N 2.72Å
53T89.3Confident88.5Confident31 Ų3177.9 Ų77.919%0.1940%0.4CS..Hα-helixtrans-61.2-48.4-179.148.60000111.2L49 I50 K55 Q56 M57L49-T53 WeakPolarHBondContact O-CG2 3.46Å; L49-T53 PolarHBondContact O-N 3.01Å; L49-T53 PolarHBondContact O-OG1 3.15Å; I50-T53 WeakPolarHBondContact CA-OG1 3.01Å; I50-T53 PolarHBondContact O-OG1 3.47Å; I50-T53 VanDerWaalsContact O-OG1 3.05Å; T53-K55 PolarHBondContact O-N 2.78Å; T53-Q56 PolarHBondContact O-N 3.08Å; T53-M57 WeakPolarHBondContact O-CB 3.42Å; T53-M57 VanDerWaalsContact O-CG 3.28Å; T53-M57 WeakPolarHBondContact O-CG 3.33Å; T53-M57 PolarHBondContact O-N 3.14Å
54S89.8Confident87.9Confident29 Ų2983 Ų8320%0.20342%0.421CS..Hα-helixtrans-60-42.5176.158.70000112.6I50 K51 Q56 M58I50-S54 VanDerWaalsContact O-CB 3.25Å; I50-S54 WeakPolarHBondContact O-CB 3.24Å; I50-S54 PolarHBondContact O-N 3.34Å; I50-S54 PolarHBondContact O-OG 3.36Å; K51-S54 WeakPolarHBondContact CA-OG 3.32Å; K51-S54 PolarHBondContact O-OG 3.1Å; K51-S54 VanDerWaalsContact O-OG 3.08Å; S54-Q56 PolarHBondContact O-N 3.17Å; S54-M58 WeakPolarHBondContact O-CB 3.43Å; S54-M58 WeakPolarHBondContact O-CG 3.42Å; S54-M58 PolarHBondContact O-N 2.79Å
55K89.7Confident87.3Confident162 Ų16280 Ų8070%0.70440%0.403SS*.Hα-helixtrans-62.2-44.6178-174.6-179.3178.6-174.10112K51 L52 T53 A59K51-K55 VanDerWaalsContact O-CB 3.23Å; K51-K55 WeakPolarHBondContact O-CB 3.19Å; K51-K55 PolarHBondContact O-N 3.46Å; K51-K55 VanDerWaalsContact O-N 3.07Å; L52-K55 PolarHBondContact O-N 3.2Å; T53-K55 PolarHBondContact O-N 2.78Å; K55-A59 WeakPolarHBondContact O-CB 3.32Å; K55-A59 PolarHBondContact O-N 2.96Å
56Q87.4Confident87Confident128 Ų12883 Ų8360%0.59841%0.406SS*.Hα-helixtrans-68.3-46.6-179.3-72.9178.8-19.500111.9L52 T53 S54 A59L52-Q56 WeakPolarHBondContact O-CG 3.18Å; L52-Q56 PolarHBondContact O-N 2.72Å; T53-Q56 PolarHBondContact O-N 3.08Å; S54-Q56 PolarHBondContact O-N 3.17Å; Q56-A59 PolarHBondContact O-N 3.09Å
57M85.7Confident86.8Confident10 Ų1085.8 Ų85.85%0.04943%0.426CS..Hα-helixtrans-67.5-40.4-178.9-63.9179.198.500112T53 A59 H61 T215T53-M57 WeakPolarHBondContact O-CB 3.42Å; T53-M57 VanDerWaalsContact O-CG 3.28Å; T53-M57 WeakPolarHBondContact O-CG 3.33Å; T53-M57 PolarHBondContact O-N 3.14Å; M57-A59 VanDerWaalsContact C-N 3.31Å; M57-A59 PolarHBondContact O-N 3.14Å; M57-H61 PolarHBondContact O-CE1 3.33Å; M57-H61 PolarHBondContact O-ND1 3.28Å; M57-T215 WeakPolarHBondContact CE-OG1 3.42Å
58M86.8Confident86.6Confident19 Ų1983.3 Ų83.39%0.09441%0.412CS..Hα-helixtrans-78.7-12.1-177.7-63.2-60.4117.200113.9S54 M60 H61 R66 L72S54-M58 WeakPolarHBondContact O-CB 3.43Å; S54-M58 WeakPolarHBondContact O-CG 3.42Å; S54-M58 PolarHBondContact O-N 2.79Å; M58-M60 PolarHBondContact O-N 3.3Å; M58-H61 PolarHBondContact O-N 2.92Å; M58-R66 HydrophobicContact CB-CG 4.45Å; M58-R66 HydrophobicContact SD-CB 4.42Å; M58-R66 HydrophobicContact SD-CG 4.15Å; M58-L72 HydrophobicContact CE-CB 4.49Å; M58-L72 HydrophobicContact CE-CD1 3.73Å
59A85.4Confident86.4Confident78 Ų7877.2 Ų77.265%0.64540%0.395SS*.THydrogen-bonded Turntrans-61-32.1177.200000112.3K55 Q56 M57 H61K55-A59 WeakPolarHBondContact O-CB 3.32Å; K55-A59 PolarHBondContact O-N 2.96Å; Q56-A59 PolarHBondContact O-N 3.09Å; M57-A59 VanDerWaalsContact C-N 3.31Å; M57-A59 PolarHBondContact O-N 3.14Å; A59-H61 VanDerWaalsContact C-N 3.35Å
60M79.3Confident86.4Confident104 Ų10479.4 Ų79.451%0.51241%0.406SS..THydrogen-bonded Turntrans-82.8-8.9-179.9-58.3-174.4-67.700113.6M58 H223M58-M60 PolarHBondContact O-N 3.3Å; M60-H223 PolarHBondContact O-CE1 3.17Å; M60-H223 PolarHBondContact O-ND1 3.35Å
61H83.4Confident86.4Confident5 Ų579.9 Ų79.92%0.02341%0.408CS..  trans-109.3140-167.3-68.879000113.8M57 M58 A59 R66 S219M57-H61 PolarHBondContact O-CE1 3.33Å; M57-H61 PolarHBondContact O-ND1 3.28Å; M58-H61 PolarHBondContact O-N 2.92Å; A59-H61 VanDerWaalsContact C-N 3.35Å; H61-R66 HydrophobicContact CB-CG 4.39Å; H61-R66 PolarHBondContact O-NE 3.04Å; H61-S219 PolarHBondContact NE2-O 2.96Å
62N81.6Confident86.3Confident107 Ų10772.6 Ų72.657%0.57238%0.377SS*.  trans-71170.3169-79.4-21.1000112.3K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.28Å; N62-K64 PolarHBondContact O-N 3.23Å; N62-G65 PolarHBondContact O-N 3.43Å; N62-R66 PolarHBondContact O-N 3.14Å
63T81.2Confident86.3Confident118 Ų11870.3 Ų70.372%0.72437%0.365SS*.THydrogen-bonded Turntrans-53.8-38.5-175.653.10000114R66T63-R66 PolarHBondContact O-N 3.4Å
64K80.3Confident86.4Confident126 Ų12672 Ų7255%0.54838%0.378SS..THydrogen-bonded Turntrans-66.9-44.8174.8-69.8-177-179.1176.60112.2N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.28Å; N62-K64 PolarHBondContact O-N 3.23Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 2.95Å; K64-T67 WeakPolarHBondContact O-CB 3.41Å; K64-T67 PolarHBondContact O-N 2.95Å; K64-T67 PolarHBondContact O-OG1 3.48Å
65G79.5Confident86.5Confident0 Ų071.4 Ų71.40%037%0.373CS..G310 helixtrans-63.8-32.1177.200000112.9N62 T67 W68N62-G65 PolarHBondContact O-N 3.43Å; G65-T67 PolarHBondContact O-N 3.4Å; G65-T67 VanDerWaalsContact O-N 3.14Å; G65-W68 PolarHBondContact O-N 3.35Å
66R84.6Confident86.6Confident140 Ų14064.6 Ų64.653%0.52834%0.344SS..G310 helixtrans-63-19.3176-70.3-179.3-173.6-174.60.6114.2M58 H61 N62 T63 K64 W68 S69M58-R66 HydrophobicContact CB-CG 4.45Å; M58-R66 HydrophobicContact SD-CB 4.42Å; M58-R66 HydrophobicContact SD-CG 4.15Å; H61-R66 HydrophobicContact CB-CG 4.39Å; H61-R66 PolarHBondContact O-NE 3.04Å; N62-R66 PolarHBondContact O-N 3.14Å; T63-R66 PolarHBondContact O-N 3.4Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 2.95Å; R66-W68 PolarHBondContact O-N 3.05Å; R66-S69 WeakPolarHBondContact O-CB 3.38Å; R66-S69 PolarHBondContact O-N 3.38Å; R66-S69 VanDerWaalsContact O-N 3.11Å
67T87.1Confident86.8Confident101 Ų10160.5 Ų60.562%0.6233%0.325SS*.G310 helixtrans-64-25.8173.962.70000112.5K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.41Å; K64-T67 PolarHBondContact O-N 2.95Å; K64-T67 PolarHBondContact O-OG1 3.48Å; G65-T67 PolarHBondContact O-N 3.4Å; G65-T67 VanDerWaalsContact O-N 3.14Å; T67-S69 VanDerWaalsContact C-N 3.28Å; T67-S69 PolarHBondContact O-N 3.27Å
68W87.3Confident87.1Confident46 Ų4662.4 Ų62.417%0.17433%0.333CS..G310 helixtrans-85.52.2176.7-73.559.3000113.7G65 R66 L70 M71 L72 M115 L222G65-W68 PolarHBondContact O-N 3.35Å; R66-W68 PolarHBondContact O-N 3.05Å; W68-L70 VanDerWaalsContact C-N 3.29Å; W68-L70 PolarHBondContact O-N 3.1Å; W68-M71 HydrophobicContact CD2-CE 4.01Å; W68-M71 HydrophobicContact CE3-CE 3.13Å; W68-M71 HydrophobicContact CH2-CE 3.64Å; W68-M71 HydrophobicContact CZ2-CE 4.43Å; W68-M71 HydrophobicContact CZ3-CE 2.93Å; W68-M71 PolarHBondContact O-N 2.93Å; W68-M71 VanDerWaalsContact O-N 3.09Å; W68-L72 PolarHBondContact O-N 3.37Å; W68-M115 HydrophobicContact CZ2-SD 3.94Å; W68-M115 PolarHBondContact NE1-SD 3.43Å; W68-L222 HydrophobicContact CB-CD2 3.52Å; W68-L222 HydrophobicContact CD2-CD1 3.64Å; W68-L222 HydrophobicContact CD2-CD2 4.2Å; W68-L222 HydrophobicContact CE3-CD1 3.92Å; W68-L222 HydrophobicContact CG-CD1 3.9Å; W68-L222 HydrophobicContact CG-CD2 3.69Å; W68-L222 HydrophobicContact CG-CG 4.47Å; W68-L222 HydrophobicContact CZ2-CD1 4.41Å; W68-L222 HydrophobicContact CZ3-CD1 4.4Å
69S88.3Confident87.3Confident38 Ų3861.5 Ų61.527%0.26633%0.329SS..Hα-helixtrans-47.6-50.9177.7165.60000112.5R66 T67 M71 L72 V73R66-S69 WeakPolarHBondContact O-CB 3.38Å; R66-S69 PolarHBondContact O-N 3.38Å; R66-S69 VanDerWaalsContact O-N 3.11Å; T67-S69 VanDerWaalsContact C-N 3.28Å; T67-S69 PolarHBondContact O-N 3.27Å; S69-M71 VanDerWaalsContact C-N 3.3Å; S69-M71 PolarHBondContact O-N 3.32Å; S69-L72 PolarHBondContact O-N 3.3Å; S69-V73 WeakPolarHBondContact O-CB 3.3Å; S69-V73 VanDerWaalsContact O-CG2 3.26Å; S69-V73 WeakPolarHBondContact O-CG2 3.21Å; S69-V73 PolarHBondContact O-N 3.47Å
70L91.3Very high87.5Confident144 Ų14459.1 Ų59.175%0.75431%0.31SS*.Hα-helixtrans-59.6-44-177.9-17473.4000111.2W68 S74W68-L70 VanDerWaalsContact C-N 3.29Å; W68-L70 PolarHBondContact O-N 3.1Å; L70-S74 WeakPolarHBondContact O-CB 3.4Å; L70-S74 PolarHBondContact O-N 3.14Å; L70-S74 PolarHBondContact O-OG 3.43Å
71M91.5Very high88.1Confident73 Ų7355.8 Ų55.836%0.3630%0.295SS..Hα-helixtrans-66-48.4-178.5-172.9147.274.400111.2W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 4.01Å; W68-M71 HydrophobicContact CE3-CE 3.13Å; W68-M71 HydrophobicContact CH2-CE 3.64Å; W68-M71 HydrophobicContact CZ2-CE 4.43Å; W68-M71 HydrophobicContact CZ3-CE 2.93Å; W68-M71 PolarHBondContact O-N 2.93Å; W68-M71 VanDerWaalsContact O-N 3.09Å; S69-M71 VanDerWaalsContact C-N 3.3Å; S69-M71 PolarHBondContact O-N 3.32Å; M71-V73 VanDerWaalsContact C-N 3.34Å; M71-V73 PolarHBondContact O-N 2.63Å; M71-S74 PolarHBondContact O-N 3.19Å; M71-S74 PolarHBondContact O-OG 3.49Å; M71-L75 VanDerWaalsContact O-CB 3.25Å; M71-L75 WeakPolarHBondContact O-CB 3.47Å; M71-L75 PolarHBondContact O-N 2.92Å; M71-L108 HydrophobicContact CE-CD2 3.53Å; M71-L108 HydrophobicContact CG-CD2 3.98Å; M71-L108 HydrophobicContact SD-CD2 3.65Å
72L90.9Very high88.5Confident3 Ų355.7 Ų55.72%0.01630%0.295CS..Hα-helixtrans-61.6-41.1179.8-71.2169.1000112.5M58 W68 S69 L75 I76 V218M58-L72 HydrophobicContact CE-CB 4.49Å; M58-L72 HydrophobicContact CE-CD1 3.73Å; W68-L72 PolarHBondContact O-N 3.37Å; S69-L72 PolarHBondContact O-N 3.3Å; L72-L75 PolarHBondContact O-N 3.36Å; L72-I76 PolarHBondContact O-N 3.06Å; L72-I76 VanDerWaalsContact O-N 3.08Å; L72-V218 HydrophobicContact CD2-CB 4.17Å; L72-V218 HydrophobicContact CD2-CG1 3.86Å
73V91.9Very high88.9Confident15 Ų1550.7 Ų50.79%0.09127%0.268CS..Hα-helixtrans-69-42.3177.3173.40000111.2I50 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.89Å; S69-V73 WeakPolarHBondContact O-CB 3.3Å; S69-V73 VanDerWaalsContact O-CG2 3.26Å; S69-V73 WeakPolarHBondContact O-CG2 3.21Å; S69-V73 PolarHBondContact O-N 3.47Å; M71-V73 VanDerWaalsContact C-N 3.34Å; M71-V73 PolarHBondContact O-N 2.63Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 2.87Å; V73-I76 VanDerWaalsContact O-CG2 3.29Å; V73-I76 WeakPolarHBondContact O-CG2 3.41Å; V73-I77 HydrophobicContact CG1-CD1 3.77Å; V73-I77 VanDerWaalsContact O-CD1 3.29Å; V73-I77 WeakPolarHBondContact O-CD1 3.28Å; V73-I77 WeakPolarHBondContact O-CG1 3.34Å; V73-I77 PolarHBondContact O-N 3.01Å
74S91.8Very high89.3Confident66 Ų6649.8 Ų49.846%0.46226%0.258SS..Hα-helixtrans-62.9-38176.369.50000112L70 M71 F78L70-S74 WeakPolarHBondContact O-CB 3.4Å; L70-S74 PolarHBondContact O-N 3.14Å; L70-S74 PolarHBondContact O-OG 3.43Å; M71-S74 PolarHBondContact O-N 3.19Å; M71-S74 PolarHBondContact O-OG 3.49Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.47Å; S74-F78 PolarHBondContact O-N 3.19Å
75L91.2Very high89.8Confident17 Ų1745.6 Ų45.69%0.08924%0.242CC..Hα-helixtrans-66.6-48.2-179.4-174.684.9000112.1M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 VanDerWaalsContact O-CB 3.25Å; M71-L75 WeakPolarHBondContact O-CB 3.47Å; M71-L75 PolarHBondContact O-N 2.92Å; L72-L75 PolarHBondContact O-N 3.36Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 2.87Å; L75-I77 VanDerWaalsContact C-N 3.29Å; L75-I77 PolarHBondContact O-N 3.38Å; L75-F78 PolarHBondContact O-N 2.99Å; L75-I79 HydrophobicContact CD1-CD1 4.17Å; L75-I79 HydrophobicContact CD2-CD1 4.5Å; L75-I79 HydrophobicContact CG-CD1 3.88Å; L75-I79 WeakPolarHBondContact O-CG1 3.46Å; L75-I79 PolarHBondContact O-N 3.49Å; L75-L108 HydrophobicContact CD1-CD1 3.42Å; L75-L108 VanDerWaalsContact CD1-CD1 3.42Å; L75-L108 HydrophobicContact CD2-CD1 3.9Å; L75-L108 HydrophobicContact CG-CD1 4.31Å; L75-F214 HydrophobicContact CD1-CE1 4.22Å; L75-F214 HydrophobicContact CD2-CD1 3.81Å; L75-F214 HydrophobicContact CD2-CE1 3.75Å; L75-F214 HydrophobicContact CG-CD1 4.42Å; L75-F214 HydrophobicContact CG-CE1 4.28Å; L75-T215 HydrophobicContact CB-CG2 4.24Å; L75-T215 HydrophobicContact CD2-CG2 3.5Å; L75-T215 VanDerWaalsContact CD2-CG2 3.5Å; L75-T215 HydrophobicContact CG-CG2 3.9Å
76I91.8Very high90.1Very high18 Ų1845.7 Ų45.79%0.09224%0.242CC..Hα-helixtrans-63.2-40.4-179.3-166.9172.2000110.7L72 V73 A80 A211 Y212 T215L72-I76 PolarHBondContact O-N 3.06Å; L72-I76 VanDerWaalsContact O-N 3.08Å; V73-I76 VanDerWaalsContact O-CG2 3.29Å; V73-I76 WeakPolarHBondContact O-CG2 3.41Å; I76-A80 WeakPolarHBondContact O-CB 3.44Å; I76-A80 PolarHBondContact O-N 2.94Å; I76-A211 HydrophobicContact CG1-CB 4.46Å; I76-Y212 HydrophobicContact CD1-CD2 4.24Å; I76-T215 VanDerWaalsContact CA-CG2 3.46Å; I76-T215 HydrophobicContact CB-CG2 3.48Å; I76-T215 VanDerWaalsContact CB-CG2 3.48Å; I76-T215 HydrophobicContact CG1-CG2 4Å
77I91.9Very high90.2Very high42 Ų4240.8 Ų40.822%0.21523%0.227CC..Hα-helixtrans-67.1-43.4178.3-64.2166.2000110.4I31 I50 V73 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.33Å; I50-I77 HydrophobicContact CD1-CD1 4.03Å; I50-I77 HydrophobicContact CG1-CD1 3.73Å; V73-I77 HydrophobicContact CG1-CD1 3.77Å; V73-I77 VanDerWaalsContact O-CD1 3.29Å; V73-I77 WeakPolarHBondContact O-CD1 3.28Å; V73-I77 WeakPolarHBondContact O-CG1 3.34Å; V73-I77 PolarHBondContact O-N 3.01Å; L75-I77 VanDerWaalsContact C-N 3.29Å; L75-I77 PolarHBondContact O-N 3.38Å; I77-T81 HydrophobicContact CG2-CG2 4.31Å; I77-T81 WeakPolarHBondContact O-CB 3.28Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.23Å; I77-T81 PolarHBondContact O-N 3.23Å; I77-T81 PolarHBondContact O-OG1 3.18Å
78F91.3Very high90.2Very high50 Ų5040.5 Ų40.522%0.21922%0.221CC..Hα-helixtrans-62.3-48.7178.5179.2-102.6000112.3I24 S74 L75 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.33Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.47Å; S74-F78 PolarHBondContact O-N 3.19Å; L75-F78 PolarHBondContact O-N 2.99Å; F78-T81 PolarHBondContact O-OG1 2.99Å; F78-T81 VanDerWaalsContact O-OG1 3.09Å; F78-T82 HydrophobicContact CD2-CG2 4.32Å; F78-T82 HydrophobicContact CE1-CG2 4.22Å; F78-T82 HydrophobicContact CE2-CG2 3.93Å; F78-T82 HydrophobicContact CZ-CG2 3.87Å; F78-T82 WeakPolarHBondContact O-CB 3.44Å; F78-T82 WeakPolarHBondContact O-CG2 3.3Å; F78-T82 PolarHBondContact O-N 3.05Å; F78-T82 PolarHBondContact O-OG1 3.2Å; F78-M100 HydrophobicContact CE1-CE 3.92Å; F78-M100 HydrophobicContact CZ-CE 3.89Å; F78-M104 HydrophobicContact CD1-SD 3.98Å; F78-M104 HydrophobicContact CE1-SD 3.62Å
79I91.2Very high90Very high0 Ų043.8 Ų43.80%025%0.248CC..Hα-helixtrans-67.8-42.7-179.6-61.6171000110.7L75 T81 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 4.17Å; L75-I79 HydrophobicContact CD2-CD1 4.5Å; L75-I79 HydrophobicContact CG-CD1 3.88Å; L75-I79 WeakPolarHBondContact O-CG1 3.46Å; L75-I79 PolarHBondContact O-N 3.49Å; I79-T81 PolarHBondContact O-N 3.38Å; I79-T82 WeakPolarHBondContact CA-OG1 3.41Å; I79-T82 PolarHBondContact O-OG1 3.42Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.48Å; I79-N83 WeakPolarHBondContact O-CB 3.39Å; I79-N83 PolarHBondContact O-N 2.97Å; I79-N83 PolarHBondContact O-ND2 3.18Å; I79-L160 HydrophobicContact CG2-CD1 3.61Å; I79-A211 HydrophobicContact CB-CB 4.04Å; I79-A211 HydrophobicContact CG2-CB 3.72Å; I79-F214 HydrophobicContact CD1-CB 4.27Å; I79-F214 HydrophobicContact CD1-CD1 3.41Å; I79-F214 VanDerWaalsContact CD1-CD1 3.41Å; I79-F214 HydrophobicContact CD1-CD2 4.32Å; I79-F214 HydrophobicContact CD1-CE1 3.75Å; I79-F214 HydrophobicContact CD1-CG 3.75Å; I79-F214 HydrophobicContact CD1-CZ 4.32Å
80A90.9Very high89.7Confident29 Ų2951.7 Ų51.724%0.2428%0.28CS..Hα-helixtrans-63.6-43.8179.200000111.9I76 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.44Å; I76-A80 PolarHBondContact O-N 2.94Å; A80-L84 VanDerWaalsContact O-CB 3.26Å; A80-L84 WeakPolarHBondContact O-CB 3.36Å; A80-L84 PolarHBondContact O-N 3.19Å; A80-A211 HydrophobicContact CB-CB 3.91Å
81T91.4Very high89.4Confident33 Ų3346.3 Ų46.320%0.20226%0.255CS..Hα-helixtrans-69.2-43.7-179.951.60000112.2P27 I77 F78 I79 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.3Å; I77-T81 HydrophobicContact CG2-CG2 4.31Å; I77-T81 WeakPolarHBondContact O-CB 3.28Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.23Å; I77-T81 PolarHBondContact O-N 3.23Å; I77-T81 PolarHBondContact O-OG1 3.18Å; F78-T81 PolarHBondContact O-OG1 2.99Å; F78-T81 VanDerWaalsContact O-OG1 3.09Å; I79-T81 PolarHBondContact O-N 3.38Å; T81-L84 PolarHBondContact O-N 3.38Å; T81-L85 WeakPolarHBondContact O-CB 3.02Å; T81-L85 PolarHBondContact O-N 2.9Å
82T90.9Very high89Confident4 Ų444.2 Ų44.23%0.02524%0.244CC..Hα-helixtrans-61.8-43.8176.447.10000112.5P27 F78 I79 G86P27-T82 HydrophobicContact CB-CG2 4.24Å; P27-T82 HydrophobicContact CG-CG2 3.46Å; P27-T82 VanDerWaalsContact CG-CG2 3.46Å; F78-T82 HydrophobicContact CD2-CG2 4.32Å; F78-T82 HydrophobicContact CE1-CG2 4.22Å; F78-T82 HydrophobicContact CE2-CG2 3.93Å; F78-T82 HydrophobicContact CZ-CG2 3.87Å; F78-T82 WeakPolarHBondContact O-CB 3.44Å; F78-T82 WeakPolarHBondContact O-CG2 3.3Å; F78-T82 PolarHBondContact O-N 3.05Å; F78-T82 PolarHBondContact O-OG1 3.2Å; I79-T82 WeakPolarHBondContact CA-OG1 3.41Å; I79-T82 PolarHBondContact O-OG1 3.42Å; T82-G86 PolarHBondContact O-N 3.36Å; T82-G86 VanDerWaalsContact O-N 3.08Å
83N91.1Very high88.6Confident2 Ų244.2 Ų44.21%0.01124%0.244CC..Hα-helixtrans-67.2-41.9178.9-67.6-11.3000111.8I79 G86 L87 T95 I164 A207I79-N83 WeakPolarHBondContact CG2-ND2 3.48Å; I79-N83 WeakPolarHBondContact O-CB 3.39Å; I79-N83 PolarHBondContact O-N 2.97Å; I79-N83 PolarHBondContact O-ND2 3.18Å; N83-G86 WeakPolarHBondContact O-CA 3.31Å; N83-G86 PolarHBondContact O-N 3.02Å; N83-G86 VanDerWaalsContact O-N 3.11Å; N83-L87 PolarHBondContact O-N 3.26Å; N83-T95 WeakPolarHBondContact OD1-CB 3.26Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.33Å; N83-T95 PolarHBondContact OD1-OG1 3.42Å; N83-I164 HydrophobicContact CB-CD1 4.31Å; N83-I164 VanDerWaalsContact CG-CD1 3.42Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.37Å; N83-A207 HydrophobicContact CB-CB 3.92Å
84L89.9Confident88.2Confident98 Ų9844 Ų4451%0.51324%0.243SC..Hα-helixtrans-70.2-38.6-179.2-167131000112.2A80 T81 G86 L87A80-L84 VanDerWaalsContact O-CB 3.26Å; A80-L84 WeakPolarHBondContact O-CB 3.36Å; A80-L84 PolarHBondContact O-N 3.19Å; T81-L84 PolarHBondContact O-N 3.38Å; L84-G86 PolarHBondContact O-N 3.14Å; L84-L87 PolarHBondContact O-N 3.28Å
85L89.8Confident87.9Confident39 Ų3940.9 Ų40.920%0.20422%0.221CC..Hα-helixtrans-61.4-29.7170.7-140.990.4000112F26 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD1 4.26Å; F26-L85 HydrophobicContact CD1-CD2 3.45Å; F26-L85 VanDerWaalsContact CD1-CD2 3.45Å; F26-L85 HydrophobicContact CD1-CG 4.48Å; F26-L85 HydrophobicContact CE1-CD1 4.11Å; F26-L85 HydrophobicContact CE1-CD2 3.86Å; F26-L85 HydrophobicContact CG-CD2 4.46Å; L30-L85 HydrophobicContact CD1-CD1 3.36Å; T81-L85 WeakPolarHBondContact O-CB 3.02Å; T81-L85 PolarHBondContact O-N 2.9Å; L85-L87 VanDerWaalsContact C-N 3.31Å; L85-L87 PolarHBondContact O-N 3.09Å; L85-L88 HydrophobicContact CG-CD1 4.12Å; L85-L88 WeakPolarHBondContact O-CB 3.37Å; L85-L88 WeakPolarHBondContact O-CG 3.41Å; L85-L88 PolarHBondContact O-N 3.34Å; L85-S91 PolarHBondContact O-OG 3.33Å
86G85.8Confident87.7Confident1 Ų140.5 Ų40.51%0.0122%0.22CC..Hα-helixtrans-63-32.4178.600000116.1T82 N83 L84 L88 S91 H168T82-G86 PolarHBondContact O-N 3.36Å; T82-G86 VanDerWaalsContact O-N 3.08Å; N83-G86 WeakPolarHBondContact O-CA 3.31Å; N83-G86 PolarHBondContact O-N 3.02Å; N83-G86 VanDerWaalsContact O-N 3.11Å; L84-G86 PolarHBondContact O-N 3.14Å; G86-L88 PolarHBondContact O-N 2.93Å; G86-S91 WeakPolarHBondContact CA-OG 3.09Å; G86-S91 PolarHBondContact O-OG 3.27Å; G86-H168 PolarHBondContact O-CE1 3.33Å; G86-H168 PolarHBondContact O-NE2 2.94Å
87L86.7Confident87.6Confident38 Ų3843 Ų4320%0.19923%0.23CC..THydrogen-bonded Turntrans-77.1-5.6-179.3-59.6176.1000113N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 3.26Å; L84-L87 PolarHBondContact O-N 3.28Å; L85-L87 VanDerWaalsContact C-N 3.31Å; L85-L87 PolarHBondContact O-N 3.09Å; L87-M171 HydrophobicContact CD2-CE 4Å; L87-E203 HydrophobicContact CD1-CG 4.37Å; L87-E203 HydrophobicContact CD2-CB 4.19Å; L87-E203 HydrophobicContact CD2-CG 3.37Å; L87-I204 HydrophobicContact CD1-CB 4.21Å; L87-I204 HydrophobicContact CD1-CG1 3.62Å; L87-A207 HydrophobicContact CD1-CB 4.11Å
88L87.4Confident87.3Confident95 Ų9544.3 Ų44.350%0.49724%0.238SC..SBendtrans-65.7146174.4-65175.5000110.8L85 G86 H90 S91L85-L88 HydrophobicContact CG-CD1 4.12Å; L85-L88 WeakPolarHBondContact O-CB 3.37Å; L85-L88 WeakPolarHBondContact O-CG 3.41Å; L85-L88 PolarHBondContact O-N 3.34Å; G86-L88 PolarHBondContact O-N 2.93Å; L88-H90 PolarHBondContact O-N 2.91Å; L88-S91 PolarHBondContact O-N 3.36Å; L88-S91 PolarHBondContact O-OG 3.44Å; L88-S91 VanDerWaalsContact O-OG 3.05Å
89P82.5Confident87.2Confident115 Ų11545.9 Ų45.975%0.74726%0.255SS*.THydrogen-bonded Turntrans-59.9132.7179.125-33.7000110.5S91P89-S91 PolarHBondContact O-N 2.91Å; P89-S91 VanDerWaalsContact O-N 3.16Å
90H82.6Confident87Confident204 Ų20447.8 Ų47.894%0.94426%0.264SS*.THydrogen-bonded Turntrans58.916.9-179.9-56.6-68.2000116L88L88-H90 PolarHBondContact O-N 2.91Å
91S84.4Confident86.9Confident31 Ų3146.4 Ų46.422%0.21725%0.253CS..  trans-81.4142.8170.8700000111.1L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 3.33Å; G86-S91 WeakPolarHBondContact CA-OG 3.09Å; G86-S91 PolarHBondContact O-OG 3.27Å; L88-S91 PolarHBondContact O-N 3.36Å; L88-S91 PolarHBondContact O-OG 3.44Å; L88-S91 VanDerWaalsContact O-OG 3.05Å; P89-S91 PolarHBondContact O-N 2.91Å; P89-S91 VanDerWaalsContact O-N 3.16Å
92F82.8Confident86.7Confident28 Ų2846.7 Ų46.712%0.12325%0.253CS..  trans-88124.6171.4171.3-94.8000109.1S8 A11 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.38Å; A11-F92 HydrophobicContact CB-CZ 4.47Å; P12-F92 HydrophobicContact CG-CB 4.38Å; P12-F92 HydrophobicContact CG-CD1 4.15Å; P12-F92 HydrophobicContact CG-CG 4.1Å; A20-F92 HydrophobicContact CB-CE1 4.36Å; I23-F92 HydrophobicContact CD1-CB 4.03Å; I23-F92 HydrophobicContact CD1-CD1 3.91Å; I23-F92 HydrophobicContact CD1-CG 4.36Å; I23-F92 HydrophobicContact CG2-CD1 4.47Å; I23-F92 WeakPolarHBondContact CG2-O 3.2Å; F92-P94 HydrophobicContact CE1-CB 4.43Å; F92-P94 WeakPolarHBondContact O-CD 3.42Å; F92-Q97 HydrophobicContact CZ-CG 4.18Å
93T84.2Confident86.6Confident3 Ų349.6 Ų49.62%0.01828%0.278CS..  trans-93.1111.4177.8290000111.1T95 T96 I164T93-T95 PolarHBondContact O-N 3.13Å; T93-T95 VanDerWaalsContact O-N 3.16Å; T93-T96 PolarHBondContact O-N 3.16Å; T93-T96 PolarHBondContact O-OG1 3.17Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.43Å; T93-I164 HydrophobicContact CG2-CG2 4.29Å
94P83.1Confident86.4Confident11 Ų1150.8 Ų50.87%0.07128%0.283CS..G310 helixtrans-63.7-23.2176.726.2-33.6000112.6I24 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.26Å; I24-P94 HydrophobicContact CG1-CB 3.68Å; I24-P94 HydrophobicContact CG1-CG 4.04Å; F92-P94 HydrophobicContact CE1-CB 4.43Å; F92-P94 WeakPolarHBondContact O-CD 3.42Å; P94-T96 VanDerWaalsContact C-N 3.28Å; P94-T96 PolarHBondContact O-N 3.28Å; P94-Q97 PolarHBondContact O-N 3.08Å; P94-M100 WeakPolarHBondContact O-CB 3.46Å
95T85.6Confident86.3Confident1 Ų146.2 Ų46.21%0.00626%0.26CS..G310 helixtrans-76.3-8.1179.7500000114.6N83 T93 Q97 N101 L160 I164N83-T95 WeakPolarHBondContact OD1-CB 3.26Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.33Å; N83-T95 PolarHBondContact OD1-OG1 3.42Å; T93-T95 PolarHBondContact O-N 3.13Å; T93-T95 VanDerWaalsContact O-N 3.16Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; T95-N101 PolarHBondContact O-ND2 3.16Å; T95-L160 HydrophobicContact CG2-CD2 3.98Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.32Å
96T85.9Confident86.2Confident9 Ų948.2 Ų48.26%0.05527%0.27CS..G310 helixtrans-74.1-26.8169.856.20000112.4F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.84Å; F9-T96 HydrophobicContact CE1-CG2 3.72Å; T93-T96 PolarHBondContact O-N 3.16Å; T93-T96 PolarHBondContact O-OG1 3.17Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.43Å; P94-T96 VanDerWaalsContact C-N 3.28Å; P94-T96 PolarHBondContact O-N 3.28Å; T96-L98 PolarHBondContact O-N 2.95Å; T96-T161 WeakPolarHBondContact O-CG2 3.5Å; T96-I164 HydrophobicContact CG2-CB 4.35Å; T96-I164 HydrophobicContact CG2-CG2 3.65Å; T96-T165 HydrophobicContact CG2-CG2 3.77Å
97Q89.2Confident86.4Confident69 Ų6952 Ų5232%0.32229%0.294SS..SBendtrans-78.2120.2178.8-65.6-63.6-30.200109.8F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 3.41Å; F92-Q97 HydrophobicContact CZ-CG 4.18Å; P94-Q97 PolarHBondContact O-N 3.08Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; Q97-S99 PolarHBondContact O-N 3.36Å; Q97-M100 PolarHBondContact O-N 3.13Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; Q97-N101 PolarHBondContact O-N 3.34Å
98L87.2Confident86.5Confident70 Ų7051 Ų5137%0.36629%0.289SS..Hα-helixtrans-57.8-33.3178.7-177.464.3000112.1T96 M100 N101 L102 A157 V158 T161T96-L98 PolarHBondContact O-N 2.95Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 2.79Å; L98-N101 PolarHBondContact O-N 3.19Å; L98-L102 VanDerWaalsContact O-CB 3.24Å; L98-L102 WeakPolarHBondContact O-CB 3.36Å; L98-L102 PolarHBondContact O-N 2.95Å; L98-A157 HydrophobicContact CD1-CB 4.32Å; 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 4.02Å
99S88.5Confident86.4Confident83 Ų8348.4 Ų48.458%0.5827%0.273SS*.Hα-helixtrans-56.3-44.2176.755.80000112.5Q97 A103Q97-S99 PolarHBondContact O-N 3.36Å; S99-A103 WeakPolarHBondContact O-CB 3.43Å; S99-A103 PolarHBondContact O-N 2.92Å
100M87.7Confident86.6Confident40 Ų4044.2 Ų44.220%0.19725%0.248CC..Hα-helixtrans-67-46.3-179.1-175.459-172.700111.2I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-SD 4.45Å; I24-M100 HydrophobicContact CG2-CE 4.33Å; F78-M100 HydrophobicContact CE1-CE 3.92Å; F78-M100 HydrophobicContact CZ-CE 3.89Å; P94-M100 WeakPolarHBondContact O-CB 3.46Å; Q97-M100 PolarHBondContact O-N 3.13Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 2.79Å; M100-L102 PolarHBondContact O-N 2.7Å; M100-A103 PolarHBondContact O-N 3.33Å; M100-M104 HydrophobicContact CE-CE 4.27Å; M100-M104 HydrophobicContact CE-CG 4.34Å; M100-M104 HydrophobicContact CE-SD 4.02Å; M100-M104 HydrophobicContact CG-CE 4.01Å; M100-M104 WeakPolarHBondContact O-CG 3.32Å; M100-M104 PolarHBondContact O-N 3.4Å
101N88.4Confident86.7Confident0 Ų035.6 Ų35.60%021%0.214CC..Hα-helixtrans-68.1-37.8-178.9-66-10000112.1T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.16Å; Q97-N101 PolarHBondContact O-N 3.34Å; L98-N101 PolarHBondContact O-N 3.19Å; N101-M104 PolarHBondContact O-N 3.45Å; N101-M104 WeakPolarHBondContact OD1-CE 3.26Å; N101-A105 VanDerWaalsContact O-CB 3.28Å; N101-A105 WeakPolarHBondContact O-CB 3.42Å; N101-A105 PolarHBondContact O-N 2.93Å; N101-A157 HydrophobicContact CB-CB 3.88Å; N101-A157 PolarHBondContact ND2-O 3.28Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.28Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.49Å; N101-T161 HydrophobicContact CB-CG2 4.34Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.37Å; N101-T161 PolarHBondContact ND2-N 3.4Å
102L86.7Confident86.7Confident40 Ų4034.1 Ų34.121%0.20920%0.204CC..Hα-helixtrans-69.6-38.5177.1-155.773.3000111.2L98 M100 M104 A105 I106 M154 A157L98-L102 VanDerWaalsContact O-CB 3.24Å; L98-L102 WeakPolarHBondContact O-CB 3.36Å; L98-L102 PolarHBondContact O-N 2.95Å; M100-L102 PolarHBondContact O-N 2.7Å; L102-M104 VanDerWaalsContact C-N 3.26Å; L102-M104 PolarHBondContact O-N 2.93Å; L102-A105 PolarHBondContact O-N 3.4Å; L102-I106 HydrophobicContact CD1-CD1 4.15Å; L102-I106 HydrophobicContact CD1-CG1 4.28Å; L102-I106 HydrophobicContact CD2-CD1 3.92Å; L102-I106 HydrophobicContact CG-CD1 3.56Å; L102-I106 HydrophobicContact CG-CG1 4.03Å; L102-I106 WeakPolarHBondContact O-CG1 3.17Å; L102-I106 PolarHBondContact O-N 2.77Å; L102-M154 HydrophobicContact CD1-CE 4.19Å; L102-M154 HydrophobicContact CD1-CG 4.3Å; L102-M154 HydrophobicContact CD1-SD 4.3Å; L102-M154 HydrophobicContact CD2-CE 4.26Å; L102-A157 HydrophobicContact CB-CB 4.44Å; L102-A157 HydrophobicContact CD1-CB 3.86Å
103A89.3Confident86.7Confident65 Ų6533.5 Ų33.554%0.53720%0.202SC..Hα-helixtrans-63.4-29.2173.400000112.9S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.43Å; S99-A103 PolarHBondContact O-N 2.92Å; M100-A103 PolarHBondContact O-N 3.33Å; A103-P107 WeakPolarHBondContact O-CD 3.34Å; A103-P107 WeakPolarHBondContact O-CG 3.44Å
104M86.4Confident86.8Confident26 Ų2638 Ų3813%0.12823%0.225CC..Hα-helixtrans-79.9-44.7171.2-69.3-175.5-72.200112.4F78 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.98Å; F78-M104 HydrophobicContact CE1-SD 3.62Å; M100-M104 HydrophobicContact CE-CE 4.27Å; M100-M104 HydrophobicContact CE-CG 4.34Å; M100-M104 HydrophobicContact CE-SD 4.02Å; M100-M104 HydrophobicContact CG-CE 4.01Å; M100-M104 WeakPolarHBondContact O-CG 3.32Å; M100-M104 PolarHBondContact O-N 3.4Å; N101-M104 PolarHBondContact O-N 3.45Å; N101-M104 WeakPolarHBondContact OD1-CE 3.26Å; L102-M104 VanDerWaalsContact C-N 3.26Å; L102-M104 PolarHBondContact O-N 2.93Å; M104-L108 VanDerWaalsContact O-CD1 3.23Å; M104-L108 WeakPolarHBondContact O-CD1 3.25Å; M104-L108 VanDerWaalsContact O-CG 3.3Å; M104-L108 WeakPolarHBondContact O-CG 3.28Å
105A87.3Confident86.7Confident2 Ų239.9 Ų39.92%0.01723%0.233CC..Hα-helixtrans-71.5-44.9-171.600000113.4N101 L102 L108 W109 L156 A157 F214N101-A105 VanDerWaalsContact O-CB 3.28Å; N101-A105 WeakPolarHBondContact O-CB 3.42Å; N101-A105 PolarHBondContact O-N 2.93Å; L102-A105 PolarHBondContact O-N 3.4Å; A105-L108 PolarHBondContact O-N 3.27Å; A105-W109 VanDerWaalsContact O-CB 3.32Å; A105-W109 WeakPolarHBondContact O-CB 3.03Å; A105-W109 PolarHBondContact O-N 3.4Å; A105-L156 HydrophobicContact CB-CD2 4.34Å; A105-A157 HydrophobicContact CB-CB 4.26Å; A105-F214 HydrophobicContact CB-CE2 4.38Å; A105-F214 HydrophobicContact CB-CZ 4.15Å
106I88.5Confident86.3Confident82 Ų8239.9 Ų39.942%0.42123%0.233SC..Hα-helixtrans-61.9-49.9-175.4-66.5174.9000111.8L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 4.15Å; L102-I106 HydrophobicContact CD1-CG1 4.28Å; L102-I106 HydrophobicContact CD2-CD1 3.92Å; L102-I106 HydrophobicContact CG-CD1 3.56Å; L102-I106 HydrophobicContact CG-CG1 4.03Å; L102-I106 WeakPolarHBondContact O-CG1 3.17Å; L102-I106 PolarHBondContact O-N 2.77Å; I106-L108 PolarHBondContact O-N 2.91Å; I106-W109 PolarHBondContact O-N 2.99Å; I106-A110 WeakPolarHBondContact O-CB 3.49Å; I106-A110 PolarHBondContact O-N 3.36Å
107P89.8Confident85.9Confident81 Ų8143.2 Ų43.253%0.52625%0.247SC..Hα-helixtrans-65-37.7-178.7-24.136.5000113.3A103 G111A103-P107 WeakPolarHBondContact O-CD 3.34Å; A103-P107 WeakPolarHBondContact O-CG 3.44Å; P107-G111 PolarHBondContact O-N 3.21Å
108L88.3Confident85.4Confident17 Ų1750.1 Ų50.19%0.08927%0.27CS..Hα-helixtrans-65.7-46.4178.3-71.3168.4000111.6M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.53Å; M71-L108 HydrophobicContact CG-CD2 3.98Å; M71-L108 HydrophobicContact SD-CD2 3.65Å; L75-L108 HydrophobicContact CD1-CD1 3.42Å; L75-L108 VanDerWaalsContact CD1-CD1 3.42Å; L75-L108 HydrophobicContact CD2-CD1 3.9Å; L75-L108 HydrophobicContact CG-CD1 4.31Å; M104-L108 VanDerWaalsContact O-CD1 3.23Å; M104-L108 WeakPolarHBondContact O-CD1 3.25Å; M104-L108 VanDerWaalsContact O-CG 3.3Å; M104-L108 WeakPolarHBondContact O-CG 3.28Å; A105-L108 PolarHBondContact O-N 3.27Å; I106-L108 PolarHBondContact O-N 2.91Å; L108-G111 PolarHBondContact O-N 3.09Å; L108-A112 PolarHBondContact O-N 3.11Å; L108-A112 VanDerWaalsContact O-N 3.08Å; L108-F214 HydrophobicContact CD1-CE1 4.18Å; L108-V218 HydrophobicContact CB-CG1 4.36Å
109W86.7Confident84.5Confident40 Ų4049.2 Ų49.215%0.15227%0.27CS..Hα-helixtrans-63.8-47.9175.8171.989.3000111.3A105 I106 G111 A112 V113 L149 L150 P153A105-W109 VanDerWaalsContact O-CB 3.32Å; A105-W109 WeakPolarHBondContact O-CB 3.03Å; A105-W109 PolarHBondContact O-N 3.4Å; I106-W109 PolarHBondContact O-N 2.99Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.27Å; W109-A112 PolarHBondContact O-N 2.91Å; 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 3.95Å; W109-V113 WeakPolarHBondContact O-CG2 3.28Å; W109-V113 PolarHBondContact O-N 3.29Å; W109-L149 HydrophobicContact CH2-CD2 4.15Å; W109-L149 HydrophobicContact CZ2-CD2 3.46Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.46Å; W109-L149 HydrophobicContact CZ2-CG 3.92Å; W109-L149 VanDerWaalsContact CZ2-O 3.27Å; W109-L149 WeakPolarHBondContact CZ2-O 3.09Å; W109-L149 PolarHBondContact NE1-O 3.08Å; W109-L150 HydrophobicContact CH2-CD2 3.75Å; W109-L150 HydrophobicContact CZ2-CD2 4.27Å; W109-P153 HydrophobicContact CB-CB 3.88Å; W109-P153 HydrophobicContact CB-CG 4.37Å; W109-P153 HydrophobicContact CD2-CB 4.28Å; W109-P153 HydrophobicContact CD2-CG 3.79Å; W109-P153 HydrophobicContact CE3-CG 4.28Å; W109-P153 HydrophobicContact CG-CB 3.84Å; W109-P153 HydrophobicContact CG-CG 3.8Å
110A85.8Confident83.7Confident27 Ų2749.9 Ų49.922%0.22326%0.262CS..Hα-helixtrans-60.4-41179.100000110.9I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.49Å; I106-A110 PolarHBondContact O-N 3.36Å; A110-V113 PolarHBondContact O-N 3.04Å; A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.15Å; A110-I114 WeakPolarHBondContact O-CD1 3.16Å; A110-I114 WeakPolarHBondContact O-CG1 3.49Å; A110-I114 PolarHBondContact O-N 3.35Å
111G86Confident82.6Confident22 Ų2253.1 Ų53.123%0.22728%0.28CS..Hα-helixtrans-60.4-44.4175.100000113.2P107 L108 W109 M115P107-G111 PolarHBondContact O-N 3.21Å; L108-G111 PolarHBondContact O-N 3.09Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.27Å; G111-M115 VanDerWaalsContact O-CB 3.32Å; G111-M115 WeakPolarHBondContact O-CB 3.16Å; G111-M115 PolarHBondContact O-N 2.67Å
112A83.8Confident81.5Confident1 Ų162.1 Ų62.11%0.00832%0.319CS..Hα-helixtrans-63.8-45.8176.900000111.8L108 W109 M115 G116 L222L108-A112 PolarHBondContact O-N 3.11Å; L108-A112 VanDerWaalsContact O-N 3.08Å; W109-A112 PolarHBondContact O-N 2.91Å; W109-A112 VanDerWaalsContact O-N 3.15Å; A112-M115 PolarHBondContact O-N 3.11Å; A112-G116 PolarHBondContact O-N 3.45Å; A112-L222 HydrophobicContact CB-CD1 4.49Å
113V83.3Confident80.5Confident14 Ų1464.9 Ų64.99%0.08533%0.334CS..Hα-helixtrans-64.4-46.7178.9172.80000111.4W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.1Å; W109-V113 HydrophobicContact CH2-CG2 4.47Å; W109-V113 HydrophobicContact CZ2-CG2 3.95Å; W109-V113 WeakPolarHBondContact O-CG2 3.28Å; W109-V113 PolarHBondContact O-N 3.29Å; A110-V113 PolarHBondContact O-N 3.04Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 2.84Å; V113-G116 PolarHBondContact O-N 3.42Å; V113-G116 VanDerWaalsContact O-N 3.13Å; V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.38Å; V113-F117 VanDerWaalsContact O-CD2 3.22Å; V113-F117 WeakPolarHBondContact O-CD2 3.44Å; V113-F117 PolarHBondContact O-N 3.31Å
114I84.6Confident79.4Confident99 Ų9962.6 Ų62.651%0.50832%0.315SS..Hα-helixtrans-60.9-39.1177-68.5163.7000110.6A110 F117 R118A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.15Å; A110-I114 WeakPolarHBondContact O-CD1 3.16Å; A110-I114 WeakPolarHBondContact O-CG1 3.49Å; A110-I114 PolarHBondContact O-N 3.35Å; I114-F117 PolarHBondContact O-N 3.17Å; I114-R118 HydrophobicContact CG2-CG 4.39Å; I114-R118 WeakPolarHBondContact O-CB 3.5Å; I114-R118 VanDerWaalsContact O-CG 3.28Å; I114-R118 WeakPolarHBondContact O-CG 3.47Å; I114-R118 PolarHBondContact O-N 3.27Å
115M81.9Confident78.3Confident49 Ų4965.9 Ų65.924%0.24133%0.332CS..Hα-helixtrans-66-37.4176.3-171.2166.6-179.500112.3W68 G111 A112 V113 R118 S119 L222W68-M115 HydrophobicContact CZ2-SD 3.94Å; W68-M115 PolarHBondContact NE1-SD 3.43Å; G111-M115 VanDerWaalsContact O-CB 3.32Å; G111-M115 WeakPolarHBondContact O-CB 3.16Å; G111-M115 PolarHBondContact O-N 2.67Å; A112-M115 PolarHBondContact O-N 3.11Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 2.84Å; M115-R118 PolarHBondContact O-N 3.29Å; M115-S119 WeakPolarHBondContact O-CB 3.28Å; M115-S119 PolarHBondContact O-N 2.91Å; M115-S119 PolarHBondContact O-OG 3.4Å; M115-S119 VanDerWaalsContact O-OG 3.1Å; M115-L222 HydrophobicContact SD-CD1 4.39Å
116G77Confident77.1Confident1 Ų168.3 Ų68.31%0.0135%0.352CS..Hα-helixtrans-61.6-51.3172.700000112.8A112 V113 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 3.45Å; V113-G116 PolarHBondContact O-N 3.42Å; V113-G116 VanDerWaalsContact O-N 3.13Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 3.3Å; G116-S119 PolarHBondContact O-N 3.4Å; G116-S119 PolarHBondContact O-OG 3.13Å; G116-K120 PolarHBondContact O-N 3.36Å; G116-N225 VanDerWaalsContact CA-O 3.25Å; G116-N225 WeakPolarHBondContact CA-O 3.48Å
117F78.5Confident75.9Confident79 Ų7969.9 Ų69.935%0.34636%0.358SS..Hα-helixtrans-59.9-40.6175.8-78-66.9000112.2V113 I114 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.38Å; V113-F117 VanDerWaalsContact O-CD2 3.22Å; V113-F117 WeakPolarHBondContact O-CD2 3.44Å; V113-F117 PolarHBondContact O-N 3.31Å; I114-F117 PolarHBondContact O-N 3.17Å; F117-I121 WeakPolarHBondContact O-CG1 3.3Å; F117-A124 HydrophobicContact CD1-CB 4.26Å; F117-A124 HydrophobicContact CE1-CB 4.35Å; F117-L125 HydrophobicContact CD1-CD1 4.19Å; F117-L125 HydrophobicContact CE1-CD1 3.78Å; F117-F128 HydrophobicContact CZ-CE2 4.44Å
118R77.4Confident74.6Confident214 Ų21467.9 Ų67.981%0.80834%0.341SS*.Hα-helixtrans-69.8-34.2179.1-73.8179.869.9-167.42.1113.6I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.39Å; I114-R118 WeakPolarHBondContact O-CB 3.5Å; I114-R118 VanDerWaalsContact O-CG 3.28Å; I114-R118 WeakPolarHBondContact O-CG 3.47Å; I114-R118 PolarHBondContact O-N 3.27Å; M115-R118 PolarHBondContact O-N 3.29Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 3.3Å
119S69.1Low73.4Confident51 Ų5170 Ų7036%0.35735%0.352SS..Hα-helixtrans-88.2-39.8-173.271.80000113.3M115 G116 N225M115-S119 WeakPolarHBondContact O-CB 3.28Å; M115-S119 PolarHBondContact O-N 2.91Å; M115-S119 PolarHBondContact O-OG 3.4Å; M115-S119 VanDerWaalsContact O-OG 3.1Å; G116-S119 PolarHBondContact O-N 3.4Å; G116-S119 PolarHBondContact O-OG 3.13Å; S119-N225 PolarHBondContact OG-O 3.46Å
120K71.1Confident72.2Confident97 Ų9771.5 Ų71.542%0.42237%0.367SS..  trans-147.373-176.6-67.7175.7-179.3158.80111.4G116 K122 N123 A124 T226G116-K120 PolarHBondContact O-N 3.36Å; K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 3.48Å; K120-N123 HydrophobicContact CB-CB 3.89Å; K120-N123 HydrophobicContact CD-CB 4.25Å; K120-N123 PolarHBondContact O-N 3.07Å; K120-N123 VanDerWaalsContact O-N 3.1Å; K120-A124 WeakPolarHBondContact O-CB 3.42Å; K120-A124 PolarHBondContact O-N 3.21Å; K120-T226 WeakPolarHBondContact CE-O 3.48Å; K120-T226 PolarHBondContact NZ-O 3.39Å
121I65.6Low71Confident109 Ų10979.9 Ų79.956%0.55940%0.401SS*.Hα-helixtrans-47.7-49.2177.2-59.7170.3000111.6F117 N123 A124 L125F117-I121 WeakPolarHBondContact O-CG1 3.3Å; I121-N123 PolarHBondContact O-N 3.22Å; I121-A124 PolarHBondContact O-N 2.95Å; I121-L125 HydrophobicContact CG2-CD1 3.81Å; I121-L125 WeakPolarHBondContact O-CD1 3.43Å; I121-L125 PolarHBondContact O-N 3.42Å
122K63.5Low69.9Low188 Ų18882.8 Ų82.882%0.81743%0.431SS*.Hα-helixtrans-66-36.7-176.4-64.5-175.6-179.6-177.50113.4K120 A126K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 3.48Å; K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.29Å; K122-A126 PolarHBondContact O-N 3.26Å
123N67.7Low69.3Low99 Ų9984.5 Ų84.553%0.52944%0.442SS..Hα-helixtrans-79.2-36.4-178.5-15159.7000111.3K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.89Å; K120-N123 HydrophobicContact CD-CB 4.25Å; K120-N123 PolarHBondContact O-N 3.07Å; K120-N123 VanDerWaalsContact O-N 3.1Å; I121-N123 PolarHBondContact O-N 3.22Å; N123-A126 PolarHBondContact O-N 3.34Å; N123-H127 PolarHBondContact O-N 2.84Å; N123-H127 VanDerWaalsContact O-N 3.1Å
124A64.2Low68.9Low17 Ų1787.3 Ų87.314%0.1446%0.46CS..Hα-helixtrans-62.8-42.4172.900000111.4F117 K120 I121 H127F117-A124 HydrophobicContact CD1-CB 4.26Å; F117-A124 HydrophobicContact CE1-CB 4.35Å; K120-A124 WeakPolarHBondContact O-CB 3.42Å; K120-A124 PolarHBondContact O-N 3.21Å; I121-A124 PolarHBondContact O-N 2.95Å; A124-H127 PolarHBondContact O-N 2.68Å
125L63.4Low68.5Low95 Ų9588.2 Ų88.250%0.49747%0.47SS..Hα-helixtrans-70.6-32.5174.5-87.582000112.8F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.19Å; F117-L125 HydrophobicContact CE1-CD1 3.78Å; I121-L125 HydrophobicContact CG2-CD1 3.81Å; I121-L125 WeakPolarHBondContact O-CD1 3.43Å; I121-L125 PolarHBondContact O-N 3.42Å; L125-H127 VanDerWaalsContact C-N 3.28Å; L125-H127 PolarHBondContact O-N 3.13Å; L125-F128 PolarHBondContact O-N 3.49Å
126A62Low68.6Low52 Ų5290.7 Ų90.743%0.4349%0.49SS..Hα-helixtrans-67.6-27.7176.700000112.7K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.29Å; K122-A126 PolarHBondContact O-N 3.26Å; N123-A126 PolarHBondContact O-N 3.34Å; A126-F128 PolarHBondContact O-N 3.44Å; A126-L129 CarbonylContact O-C 3.57Å; A126-L129 PolarHBondContact O-N 2.98Å
127H64.1Low68.7Low116 Ų11695.3 Ų95.354%0.53751%0.514SS..THydrogen-bonded Turntrans-64.1-21.7175.2-162.3-67.1000112.8N123 A124 L125 L129N123-H127 PolarHBondContact O-N 2.84Å; N123-H127 VanDerWaalsContact O-N 3.1Å; A124-H127 PolarHBondContact O-N 2.68Å; L125-H127 VanDerWaalsContact C-N 3.28Å; L125-H127 PolarHBondContact O-N 3.13Å; H127-L129 PolarHBondContact O-N 2.93Å
128F62.7Low68.8Low38 Ų3893.9 Ų93.917%0.16751%0.509CS..THydrogen-bonded Turntrans-70.1-15.5174-67.2-59.2000113.5F117 L125 A126 L141 E145 T146 L149F117-F128 HydrophobicContact CZ-CE2 4.44Å; L125-F128 PolarHBondContact O-N 3.49Å; A126-F128 PolarHBondContact O-N 3.44Å; F128-L141 VanDerWaalsContact O-CD2 3.29Å; F128-L141 WeakPolarHBondContact O-CD2 3.44Å; F128-E145 HydrophobicContact CD1-CB 4.17Å; F128-E145 HydrophobicContact CD1-CG 3.78Å; F128-E145 HydrophobicContact CE1-CG 4.45Å; F128-T146 HydrophobicContact CD1-CG2 4.25Å; F128-T146 HydrophobicContact CE1-CG2 4.02Å; F128-L149 HydrophobicContact CE1-CD1 4.45Å
129L62.8Low68.9Low63 Ų6387.6 Ų87.633%0.3350%0.496SS..SBendtrans-124.5113.6176.7-10279000111.2A126 H127 Q131 I138 V142A126-L129 CarbonylContact O-C 3.57Å; A126-L129 PolarHBondContact O-N 2.98Å; H127-L129 PolarHBondContact O-N 2.93Å; L129-Q131 PolarHBondContact O-N 2.86Å; L129-I138 HydrophobicContact CD1-CG2 4.04Å; L129-I138 HydrophobicContact CD2-CD1 4.17Å; L129-I138 HydrophobicContact CD2-CG1 4.22Å; L129-I138 HydrophobicContact CD2-CG2 3.84Å; L129-I138 HydrophobicContact CG-CG2 4.26Å; L129-V142 HydrophobicContact CD1-CG2 3.32Å
130P61.1Low69.5Low71 Ų7188.9 Ų88.946%0.46150%0.502SS..  trans-63138.8164.719.4-20.1000109.8G132 T133 L141P130-G132 PolarHBondContact O-N 3.48Å; P130-T133 HydrophobicContact CB-CG2 4.47Å; P130-T133 HydrophobicContact CG-CG2 3.74Å; P130-T133 WeakPolarHBondContact O-CG2 3.38Å; P130-T133 PolarHBondContact O-OG1 2.88Å; P130-L141 HydrophobicContact CG-CD1 3.92Å; P130-L141 HydrophobicContact CG-CD2 4.09Å
131Q62Low70.2Confident203 Ų20386.5 Ų86.595%0.94949%0.494SS*.THydrogen-bonded Turntrans-63.6132.1-179.5-63.1-167.21.500110.3L129L129-Q131 PolarHBondContact O-N 2.86Å
132G62.5Low70.9Confident82 Ų8283.5 Ų83.585%0.84548%0.48SS*.THydrogen-bonded Turntrans92.815.8177.400000115.7P130P130-G132 PolarHBondContact O-N 3.48Å
133T71.4Confident72Confident38 Ų3879.3 Ų79.323%0.23347%0.466CS..  trans-73.9134.6174.843.20000112.1P130 L141P130-T133 HydrophobicContact CB-CG2 4.47Å; P130-T133 HydrophobicContact CG-CG2 3.74Å; P130-T133 WeakPolarHBondContact O-CG2 3.38Å; P130-T133 PolarHBondContact O-OG1 2.88Å; T133-L141 HydrophobicContact CG2-CD1 3.93Å
134P75.2Confident72.8Confident73 Ų7379.9 Ų79.947%0.47447%0.468SS..  trans-67.4138.7177.928.2-34.2000110.6P136 L137P134-P136 VanDerWaalsContact C-N 3.33Å; P134-P136 WeakPolarHBondContact O-CD 3.4Å; P134-P136 VanDerWaalsContact O-N 3.09Å; P134-L137 HydrophobicContact CG-CB 4.35Å; P134-L137 HydrophobicContact CG-CD1 3.71Å; P134-L137 HydrophobicContact CG-CG 4.15Å; P134-L137 PolarHBondContact O-N 3.13Å
135T75.9Confident73.8Confident118 Ų11881.9 Ų81.972%0.72447%0.474SS*.G310 helixtrans-47.8-35.9-173.149.40000116.7I138T135-I138 HydrophobicContact CG2-CD1 4.48Å
136P82.6Confident74.6Confident100 Ų10079.9 Ų79.965%0.64947%0.466SS*.G310 helixtrans-74.2-23.4178.525.7-33.8000114.8P134P134-P136 VanDerWaalsContact C-N 3.33Å; P134-P136 WeakPolarHBondContact O-CD 3.4Å; P134-P136 VanDerWaalsContact O-N 3.09Å
137L80.1Confident75.7Confident99 Ų9981.4 Ų81.452%0.51847%0.466SS..G310 helixtrans-89.3-7.7-177.3-64.7178.3000113.4P134 T140 L141P134-L137 HydrophobicContact CG-CB 4.35Å; P134-L137 HydrophobicContact CG-CD1 3.71Å; P134-L137 HydrophobicContact CG-CG 4.15Å; P134-L137 PolarHBondContact O-N 3.13Å; L137-T140 PolarHBondContact O-N 3.28Å; L137-T140 PolarHBondContact O-OG1 3.03Å; L137-L141 WeakPolarHBondContact O-CB 3.49Å; L137-L141 PolarHBondContact O-N 3.07Å; L137-L141 VanDerWaalsContact O-N 3.12Å
138I79.3Confident76.7Confident48 Ų4878.3 Ų78.325%0.24646%0.458CS..Hα-helixtrans-58.2-49.9-176.8-66.1176.4000112.2L129 T135 T140 L141 V142L129-I138 HydrophobicContact CD1-CG2 4.04Å; L129-I138 HydrophobicContact CD2-CD1 4.17Å; L129-I138 HydrophobicContact CD2-CG1 4.22Å; L129-I138 HydrophobicContact CD2-CG2 3.84Å; L129-I138 HydrophobicContact CG-CG2 4.26Å; T135-I138 HydrophobicContact CG2-CD1 4.48Å; I138-T140 VanDerWaalsContact C-N 3.33Å; I138-T140 PolarHBondContact O-N 3.22Å; I138-L141 PolarHBondContact O-N 2.91Å; I138-V142 HydrophobicContact CG2-CG2 4.47Å; I138-V142 WeakPolarHBondContact O-CG2 3.32Å; I138-V142 PolarHBondContact O-N 3.23Å; I138-V142 VanDerWaalsContact O-N 3.13Å
139P79.7Confident77.6Confident82 Ų8278.5 Ų78.553%0.53246%0.46SS..Hα-helixtrans-63.8-38.7-175.3-21.634.1000112.7I143P139-I143 WeakPolarHBondContact O-CG1 3.33Å; P139-I143 PolarHBondContact O-N 2.7Å
140T82.9Confident78.6Confident78 Ų7880.8 Ų80.848%0.47947%0.472SS..Hα-helixtrans-68.1-38.3178.443.70000112.3L137 I138 I143 I144L137-T140 PolarHBondContact O-N 3.28Å; L137-T140 PolarHBondContact O-OG1 3.03Å; I138-T140 VanDerWaalsContact C-N 3.33Å; I138-T140 PolarHBondContact O-N 3.22Å; T140-I143 PolarHBondContact O-N 3.33Å; T140-I144 WeakPolarHBondContact O-CG1 3.34Å; T140-I144 PolarHBondContact O-N 3.02Å; T140-I144 VanDerWaalsContact O-N 3.14Å
141L84.8Confident79.7Confident47 Ų4782 Ų8225%0.24647%0.474CS..Hα-helixtrans-70-40.4-178.3-169.8148000111.7F128 P130 T133 L137 I138 I143 I144 E145F128-L141 VanDerWaalsContact O-CD2 3.29Å; F128-L141 WeakPolarHBondContact O-CD2 3.44Å; P130-L141 HydrophobicContact CG-CD1 3.92Å; P130-L141 HydrophobicContact CG-CD2 4.09Å; T133-L141 HydrophobicContact CG2-CD1 3.93Å; L137-L141 WeakPolarHBondContact O-CB 3.49Å; L137-L141 PolarHBondContact O-N 3.07Å; L137-L141 VanDerWaalsContact O-N 3.12Å; I138-L141 PolarHBondContact O-N 2.91Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 3.23Å; L141-I144 PolarHBondContact O-N 3.08Å; L141-E145 WeakPolarHBondContact O-CB 3.29Å; L141-E145 PolarHBondContact O-N 2.77Å
142V81.9Confident80.7Confident47 Ų4775.6 Ų75.629%0.28544%0.444SS..Hα-helixtrans-58.6-44.4174.9174.50000110.8L129 I138 I144 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.32Å; I138-V142 HydrophobicContact CG2-CG2 4.47Å; I138-V142 WeakPolarHBondContact O-CG2 3.32Å; I138-V142 PolarHBondContact O-N 3.23Å; I138-V142 VanDerWaalsContact O-N 3.13Å; V142-I144 PolarHBondContact O-N 3.34Å; V142-E145 PolarHBondContact O-N 3.09Å; V142-T146 HydrophobicContact CG1-CG2 4.34Å; V142-T146 VanDerWaalsContact O-CG2 3.28Å; V142-T146 WeakPolarHBondContact O-CG2 3.34Å; V142-T146 PolarHBondContact O-N 2.95Å; V142-T146 PolarHBondContact O-OG1 2.94Å
143I84.7Confident81.6Confident99 Ų9972.1 Ų72.151%0.50841%0.406SS..Hα-helixtrans-60.4-47.5178.1-66.4167.1000110.4P139 T140 L141 E145 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.33Å; P139-I143 PolarHBondContact O-N 2.7Å; T140-I143 PolarHBondContact O-N 3.33Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 3.23Å; I143-E145 PolarHBondContact O-N 3.1Å; I143-T146 PolarHBondContact O-N 3.38Å; I143-T146 PolarHBondContact O-OG1 2.87Å; I143-I147 HydrophobicContact CG2-CD1 3.79Å; I143-I147 VanDerWaalsContact O-CG1 3.3Å; I143-I147 WeakPolarHBondContact O-CG1 3.43Å; I143-I147 PolarHBondContact O-N 3.36Å
144I85.9Confident82.2Confident112 Ų11274.7 Ų74.757%0.57442%0.417SS*.Hα-helixtrans-62.8-42.8-179.8-65.8164.1000111.2T140 L141 V142 I147 S148T140-I144 WeakPolarHBondContact O-CG1 3.34Å; T140-I144 PolarHBondContact O-N 3.02Å; T140-I144 VanDerWaalsContact O-N 3.14Å; L141-I144 PolarHBondContact O-N 3.08Å; V142-I144 PolarHBondContact O-N 3.34Å; I144-I147 PolarHBondContact O-N 3.28Å; I144-S148 WeakPolarHBondContact O-CB 3.42Å; I144-S148 PolarHBondContact O-N 3.01Å
145E84.2Confident82.6Confident58 Ų5873.2 Ų73.227%0.27141%0.411SS..Hα-helixtrans-67.3-39.6-179.8-167.361.5-160.600111.8F128 L141 V142 I143 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.17Å; F128-E145 HydrophobicContact CD1-CG 3.78Å; F128-E145 HydrophobicContact CE1-CG 4.45Å; L141-E145 WeakPolarHBondContact O-CB 3.29Å; L141-E145 PolarHBondContact O-N 2.77Å; V142-E145 PolarHBondContact O-N 3.09Å; I143-E145 PolarHBondContact O-N 3.1Å; E145-I147 VanDerWaalsContact C-N 3.32Å; E145-I147 PolarHBondContact O-N 3.08Å; E145-S148 WeakPolarHBondContact O-CB 2.98Å; E145-S148 PolarHBondContact O-N 3Å; E145-L149 WeakPolarHBondContact O-CB 3.4Å; E145-L149 PolarHBondContact O-N 3.49Å
146T81.4Confident82.8Confident53 Ų5367.9 Ų67.933%0.32538%0.378SS..Hα-helixtrans-62.6-38.5173.959.10000112.4F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.25Å; F128-T146 HydrophobicContact CE1-CG2 4.02Å; V142-T146 HydrophobicContact CG1-CG2 4.34Å; V142-T146 VanDerWaalsContact O-CG2 3.28Å; V142-T146 WeakPolarHBondContact O-CG2 3.34Å; V142-T146 PolarHBondContact O-N 2.95Å; V142-T146 PolarHBondContact O-OG1 2.94Å; I143-T146 PolarHBondContact O-N 3.38Å; I143-T146 PolarHBondContact O-OG1 2.87Å; T146-L150 WeakPolarHBondContact O-CG 3.33Å; T146-L150 PolarHBondContact O-N 3Å
147I85.4Confident82.9Confident85 Ų8563.1 Ų63.144%0.43635%0.347SS..Hα-helixtrans-68.1-43.8175.3-67.5166.6000110.5I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.79Å; I143-I147 VanDerWaalsContact O-CG1 3.3Å; I143-I147 WeakPolarHBondContact O-CG1 3.43Å; I143-I147 PolarHBondContact O-N 3.36Å; I144-I147 PolarHBondContact O-N 3.28Å; E145-I147 VanDerWaalsContact C-N 3.32Å; E145-I147 PolarHBondContact O-N 3.08Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 2.71Å; I147-L150 PolarHBondContact O-N 3.34Å; I147-L150 VanDerWaalsContact O-N 3.17Å; I147-I151 HydrophobicContact CG2-CD1 3.46Å; I147-I151 VanDerWaalsContact CG2-CD1 3.46Å; I147-I151 HydrophobicContact CG2-CG1 4.12Å; I147-I151 WeakPolarHBondContact O-CG1 3.22Å; I147-I151 PolarHBondContact O-N 2.89Å
148S83.8Confident83.2Confident51 Ų5161.4 Ų61.436%0.35734%0.34SS..Hα-helixtrans-57.1-46.6177.7-176.80000111.8I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.42Å; I144-S148 PolarHBondContact O-N 3.01Å; E145-S148 WeakPolarHBondContact O-CB 2.98Å; E145-S148 PolarHBondContact O-N 3Å; S148-L150 VanDerWaalsContact C-N 3.3Å; S148-L150 PolarHBondContact O-N 3.36Å; S148-I151 PolarHBondContact O-N 3.38Å; S148-Q152 PolarHBondContact O-N 3.41Å; S148-Q152 VanDerWaalsContact O-N 3.14Å
149L82.8Confident83.6Confident42 Ų4264 Ų6422%0.2235%0.347CS..Hα-helixtrans-60.9-36.3177.9-174.8124.1000112.2W109 F128 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.15Å; W109-L149 HydrophobicContact CZ2-CD2 3.46Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.46Å; W109-L149 HydrophobicContact CZ2-CG 3.92Å; W109-L149 VanDerWaalsContact CZ2-O 3.27Å; W109-L149 WeakPolarHBondContact CZ2-O 3.09Å; W109-L149 PolarHBondContact NE1-O 3.08Å; F128-L149 HydrophobicContact CE1-CD1 4.45Å; E145-L149 WeakPolarHBondContact O-CB 3.4Å; E145-L149 PolarHBondContact O-N 3.49Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 2.71Å; L149-P153 WeakPolarHBondContact O-CD 3.48Å
150L82.5Confident83.6Confident110 Ų11060.1 Ų60.158%0.57632%0.322SS*.Hα-helixtrans-78.1-35.4177.3-71.8173.5000113.7W109 T146 I147 S148 Q152 P153W109-L150 HydrophobicContact CH2-CD2 3.75Å; W109-L150 HydrophobicContact CZ2-CD2 4.27Å; T146-L150 WeakPolarHBondContact O-CG 3.33Å; T146-L150 PolarHBondContact O-N 3Å; I147-L150 PolarHBondContact O-N 3.34Å; I147-L150 VanDerWaalsContact O-N 3.17Å; S148-L150 VanDerWaalsContact C-N 3.3Å; S148-L150 PolarHBondContact O-N 3.36Å; L150-Q152 VanDerWaalsContact C-N 3.34Å; L150-P153 WeakPolarHBondContact O-CD 3.25Å; L150-P153 WeakPolarHBondContact O-CG 3.29Å
151I85.1Confident83.8Confident98 Ų9857 Ų5750%0.50330%0.303SS..Hα-helixtrans-72.4-31.1-179-69.9174.1000111.2I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.46Å; I147-I151 VanDerWaalsContact CG2-CD1 3.46Å; I147-I151 HydrophobicContact CG2-CG1 4.12Å; I147-I151 WeakPolarHBondContact O-CG1 3.22Å; I147-I151 PolarHBondContact O-N 2.89Å; S148-I151 PolarHBondContact O-N 3.38Å; I151-M154 CarbonylContact O-C 3.59Å; I151-M154 WeakPolarHBondContact O-CB 3.48Å; I151-M154 PolarHBondContact O-N 3.47Å; I151-M154 VanDerWaalsContact O-N 3.1Å; I151-A155 HydrophobicContact CG2-CB 4.4Å; I151-A155 WeakPolarHBondContact O-CB 3.13Å; I151-A155 PolarHBondContact O-N 3.07Å
152Q83.1Confident83.8Confident67 Ų6756.7 Ų56.731%0.31331%0.307SS..Hα-helixtrans-50.4-54.2-177.6-109.7175.2-10.500116.2S148 L150 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 3.41Å; S148-Q152 VanDerWaalsContact O-N 3.14Å; L150-Q152 VanDerWaalsContact C-N 3.34Å; Q152-M154 PolarHBondContact O-N 3.24Å; Q152-A155 PolarHBondContact O-N 3.19Å; Q152-L156 WeakPolarHBondContact O-CB 3.49Å; Q152-L156 PolarHBondContact O-N 3.18Å; Q152-Y221 HydrophobicContact CG-CE1 4.35Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.43Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.26Å; Q152-Y221 PolarHBondContact NE2-OH 3.42Å; Q152-Y221 VanDerWaalsContact OE1-CZ 3.32Å; Q152-Y221 PolarHBondContact OE1-OH 3.31Å
153P80.1Confident84.1Confident9 Ų957.4 Ų57.46%0.05831%0.309CS..Hα-helixtrans-63.4-33.2178.623.8-34.6000112.1W109 L149 L150 A157W109-P153 HydrophobicContact CB-CB 3.88Å; W109-P153 HydrophobicContact CB-CG 4.37Å; W109-P153 HydrophobicContact CD2-CB 4.28Å; W109-P153 HydrophobicContact CD2-CG 3.79Å; W109-P153 HydrophobicContact CE3-CG 4.28Å; W109-P153 HydrophobicContact CG-CB 3.84Å; W109-P153 HydrophobicContact CG-CG 3.8Å; L149-P153 WeakPolarHBondContact O-CD 3.48Å; L150-P153 WeakPolarHBondContact O-CD 3.25Å; L150-P153 WeakPolarHBondContact O-CG 3.29Å; P153-A157 PolarHBondContact O-N 2.97Å
154M84.2Confident84.1Confident93 Ų9352.9 Ų52.946%0.45829%0.286SS..Hα-helixtrans-69.5-44.7176.2-164.6128.9-15700111.4L102 I151 Q152 L156 A157 V158L102-M154 HydrophobicContact CD1-CE 4.19Å; L102-M154 HydrophobicContact CD1-CG 4.3Å; L102-M154 HydrophobicContact CD1-SD 4.3Å; L102-M154 HydrophobicContact CD2-CE 4.26Å; I151-M154 CarbonylContact O-C 3.59Å; I151-M154 WeakPolarHBondContact O-CB 3.48Å; I151-M154 PolarHBondContact O-N 3.47Å; I151-M154 VanDerWaalsContact O-N 3.1Å; Q152-M154 PolarHBondContact O-N 3.24Å; M154-L156 VanDerWaalsContact C-N 3.29Å; M154-L156 PolarHBondContact O-N 2.98Å; M154-A157 PolarHBondContact O-N 3.14Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.5Å; M154-V158 PolarHBondContact O-N 2.96Å
155A84.9Confident84.2Confident42 Ų4249.3 Ų49.335%0.34727%0.269SS..Hα-helixtrans-61.7-37.6177.300000112I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.4Å; I151-A155 WeakPolarHBondContact O-CB 3.13Å; I151-A155 PolarHBondContact O-N 3.07Å; Q152-A155 PolarHBondContact O-N 3.19Å; A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.04Å; A155-R159 PolarHBondContact O-N 3.4Å
156L80.1Confident84.4Confident5 Ų549.1 Ų49.13%0.02628%0.278CS..Hα-helixtrans-61.6-48.4174.7-165.688.2000111.8A105 Q152 M154 R159 L160 F214 L217 V218A105-L156 HydrophobicContact CB-CD2 4.34Å; Q152-L156 WeakPolarHBondContact O-CB 3.49Å; Q152-L156 PolarHBondContact O-N 3.18Å; M154-L156 VanDerWaalsContact C-N 3.29Å; M154-L156 PolarHBondContact O-N 2.98Å; L156-R159 PolarHBondContact O-N 3.28Å; L156-L160 PolarHBondContact O-N 3.23Å; L156-F214 HydrophobicContact CD1-CD2 4.21Å; L156-F214 HydrophobicContact CD1-CG 4.47Å; L156-F214 HydrophobicContact CD2-CD1 4.09Å; L156-F214 HydrophobicContact CD2-CD2 3.33Å; L156-F214 HydrophobicContact CD2-CE1 3.91Å; L156-F214 HydrophobicContact CD2-CE2 3.13Å; L156-F214 HydrophobicContact CD2-CG 3.82Å; L156-F214 HydrophobicContact CD2-CZ 3.44Å; L156-F214 VanDerWaalsContact CD2-CZ 3.44Å; L156-F214 HydrophobicContact CG-CD2 3.45Å; L156-F214 VanDerWaalsContact CG-CD2 3.45Å; L156-F214 HydrophobicContact CG-CE2 3.63Å; L156-F214 HydrophobicContact CG-CG 4.12Å; L156-F214 HydrophobicContact CG-CZ 4.4Å; L156-L217 HydrophobicContact CD1-CB 3.89Å; L156-L217 HydrophobicContact CD1-CD1 3.38Å; L156-L217 HydrophobicContact CD1-CG 4.26Å; L156-V218 HydrophobicContact CD2-CG2 4.36Å
157A83.4Confident84.7Confident0 Ų046.9 Ų46.90%027%0.265CS..Hα-helixtrans-64.4-44.8179.800000111.9L98 N101 L102 A105 P153 M154 L160 T161L98-A157 HydrophobicContact CD1-CB 4.32Å; N101-A157 HydrophobicContact CB-CB 3.88Å; N101-A157 PolarHBondContact ND2-O 3.28Å; L102-A157 HydrophobicContact CB-CB 4.44Å; L102-A157 HydrophobicContact CD1-CB 3.86Å; A105-A157 HydrophobicContact CB-CB 4.26Å; P153-A157 PolarHBondContact O-N 2.97Å; M154-A157 PolarHBondContact O-N 3.14Å; A157-L160 PolarHBondContact O-N 2.92Å; A157-T161 PolarHBondContact O-N 2.92Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 3.45Å
158V87.1Confident84.8Confident64 Ų6444.3 Ų44.339%0.38825%0.251SS..Hα-helixtrans-64.2-39.2177.8172.50000111.4L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.89Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.5Å; M154-V158 PolarHBondContact O-N 2.96Å; V158-L160 VanDerWaalsContact C-N 3.27Å; V158-L160 PolarHBondContact O-N 3.43Å; V158-T161 WeakPolarHBondContact CA-OG1 3.34Å; V158-T161 PolarHBondContact O-N 2.86Å; V158-T161 PolarHBondContact O-OG1 3.5Å; V158-A162 WeakPolarHBondContact O-CB 3.44Å; V158-A162 PolarHBondContact O-N 3.09Å
159R87Confident85Confident102 Ų10244 Ų4439%0.38525%0.245SC..Hα-helixtrans-59.5-41.4177.2-169.5-173.8-60.9158.22.1111.4A155 L156 N163 Q210A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.04Å; A155-R159 PolarHBondContact O-N 3.4Å; L156-R159 PolarHBondContact O-N 3.28Å; R159-N163 WeakPolarHBondContact O-CB 3.21Å; R159-N163 VanDerWaalsContact O-CG 3.25Å; R159-N163 PolarHBondContact O-N 3.49Å; R159-N163 PolarHBondContact O-ND2 3.3Å; R159-Q210 VanDerWaalsContact C-NE2 3.3Å; R159-Q210 VanDerWaalsContact CG-NE2 3.34Å
160L81.4Confident85.4Confident0 Ų045.7 Ų45.70%025%0.254CS..Hα-helixtrans-71.9-42-178-161139.6000111.6I79 T95 N101 L156 A157 V158 I164 Q210 F214I79-L160 HydrophobicContact CG2-CD1 3.61Å; T95-L160 HydrophobicContact CG2-CD2 3.98Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.28Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.49Å; L156-L160 PolarHBondContact O-N 3.23Å; A157-L160 PolarHBondContact O-N 2.92Å; V158-L160 VanDerWaalsContact C-N 3.27Å; V158-L160 PolarHBondContact O-N 3.43Å; L160-I164 HydrophobicContact CD2-CD1 3.66Å; L160-I164 HydrophobicContact CG-CD1 4.2Å; L160-I164 WeakPolarHBondContact O-CD1 3.34Å; L160-I164 WeakPolarHBondContact O-CG1 3.17Å; L160-I164 PolarHBondContact O-N 3.32Å; L160-Q210 HydrophobicContact CB-CG 4.14Å; L160-Q210 HydrophobicContact CD1-CG 3.76Å; L160-Q210 HydrophobicContact CG-CG 3.75Å; L160-Q210 VanDerWaalsContact N-NE2 3.11Å; L160-F214 HydrophobicContact CD1-CD2 4Å
161T85.6Confident85.8Confident13 Ų1342 Ų428%0.0823%0.234CC..Hα-helixtrans-65.4-46.8174.749.80000112T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.5Å; L98-T161 VanDerWaalsContact CA-CG2 3.44Å; L98-T161 HydrophobicContact CB-CG2 4.03Å; L98-T161 HydrophobicContact CD1-CG2 4.02Å; N101-T161 HydrophobicContact CB-CG2 4.34Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.37Å; N101-T161 PolarHBondContact ND2-N 3.4Å; A157-T161 PolarHBondContact O-N 2.92Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 3.45Å; V158-T161 WeakPolarHBondContact CA-OG1 3.34Å; V158-T161 PolarHBondContact O-N 2.86Å; V158-T161 PolarHBondContact O-OG1 3.5Å; T161-N163 PolarHBondContact O-N 2.84Å; T161-I164 PolarHBondContact O-N 3.43Å; T161-T165 VanDerWaalsContact O-CB 3.28Å; T161-T165 WeakPolarHBondContact O-CB 3.19Å; T161-T165 WeakPolarHBondContact O-CG2 3.46Å; T161-T165 PolarHBondContact O-N 3.16Å; T161-T165 PolarHBondContact O-OG1 3.23Å
162A85Confident86Confident41 Ų4141.6 Ų41.634%0.33923%0.23SC..Hα-helixtrans-62.4-45.5-173.200000111.2V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.44Å; V158-A162 PolarHBondContact O-N 3.09Å; A162-T165 WeakPolarHBondContact CA-OG1 3.32Å; A162-T165 PolarHBondContact O-OG1 3.31Å; A162-T165 VanDerWaalsContact O-OG1 3.11Å; A162-A166 WeakPolarHBondContact O-CB 3.11Å; A162-A166 PolarHBondContact O-N 2.83Å
163N88.3Confident86.3Confident61 Ų6142.7 Ų42.733%0.32624%0.238SC..Hα-helixtrans-62.9-48.5-179.6-69.4-6.5000111.6R159 T161 G167 V206R159-N163 WeakPolarHBondContact O-CB 3.21Å; R159-N163 VanDerWaalsContact O-CG 3.25Å; R159-N163 PolarHBondContact O-N 3.49Å; R159-N163 PolarHBondContact O-ND2 3.3Å; T161-N163 PolarHBondContact O-N 2.84Å; N163-G167 PolarHBondContact O-N 2.6Å; N163-V206 HydrophobicContact CB-CG1 4.07Å
164I85.4Confident86.9Confident5 Ų544 Ų443%0.02624%0.244CC..Hα-helixtrans-70.9-41.1-176.3-59.3172.2000111.4N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.31Å; N83-I164 VanDerWaalsContact CG-CD1 3.42Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.37Å; T93-I164 HydrophobicContact CG2-CG2 4.29Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.32Å; T96-I164 HydrophobicContact CG2-CB 4.35Å; T96-I164 HydrophobicContact CG2-CG2 3.65Å; L160-I164 HydrophobicContact CD2-CD1 3.66Å; L160-I164 HydrophobicContact CG-CD1 4.2Å; L160-I164 WeakPolarHBondContact O-CD1 3.34Å; L160-I164 WeakPolarHBondContact O-CG1 3.17Å; L160-I164 PolarHBondContact O-N 3.32Å; T161-I164 PolarHBondContact O-N 3.43Å; I164-H168 WeakPolarHBondContact O-CB 3.07Å; I164-H168 PolarHBondContact O-CD2 3.32Å; I164-H168 PolarHBondContact O-N 3.32Å
165T88.1Confident87.1Confident36 Ų3640.7 Ų40.722%0.22123%0.234CC..Hα-helixtrans-65.1-46.7176.953.50000111.7F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.42Å; F9-T165 HydrophobicContact CE1-CG2 4.12Å; T96-T165 HydrophobicContact CG2-CG2 3.77Å; T161-T165 VanDerWaalsContact O-CB 3.28Å; T161-T165 WeakPolarHBondContact O-CB 3.19Å; T161-T165 WeakPolarHBondContact O-CG2 3.46Å; T161-T165 PolarHBondContact O-N 3.16Å; T161-T165 PolarHBondContact O-OG1 3.23Å; A162-T165 WeakPolarHBondContact CA-OG1 3.32Å; A162-T165 PolarHBondContact O-OG1 3.31Å; A162-T165 VanDerWaalsContact O-OG1 3.11Å; T165-H168 PolarHBondContact O-N 3.05Å; T165-L169 WeakPolarHBondContact O-CB 3.03Å; T165-L169 WeakPolarHBondContact O-CG 3.24Å; T165-L169 PolarHBondContact O-N 3.46Å
166A87.5Confident87.3Confident54 Ų5441.5 Ų41.545%0.44624%0.237SC..Hα-helixtrans-64-43.8178.600000111.5A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.11Å; A162-A166 PolarHBondContact O-N 2.83Å; A166-L169 PolarHBondContact O-N 3.46Å; A166-L170 VanDerWaalsContact O-CB 3.26Å; A166-L170 WeakPolarHBondContact O-CB 3.48Å; A166-L170 PolarHBondContact O-N 3.2Å
167G88.2Confident87.7Confident6 Ų643.1 Ų43.16%0.06225%0.251CS..Hα-helixtrans-58.4-48.4176.100000112.6N163 L170 M171 E203N163-G167 PolarHBondContact O-N 2.6Å; G167-L170 PolarHBondContact O-N 2.93Å; G167-M171 WeakPolarHBondContact O-CB 3.39Å; G167-M171 WeakPolarHBondContact O-CG 3.35Å; G167-M171 PolarHBondContact O-N 3.35Å; G167-E203 WeakPolarHBondContact CA-OE2 3.49Å
168H87.9Confident88.1Confident32 Ų3244 Ų4415%0.14826%0.257CS..Hα-helixtrans-62.7-43.3176.2-92.7-89.8000113.4F9 G86 I164 T165 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.14Å; F9-H168 HydrophobicContact CZ-CB 3.85Å; G86-H168 PolarHBondContact O-CE1 3.33Å; G86-H168 PolarHBondContact O-NE2 2.94Å; I164-H168 WeakPolarHBondContact O-CB 3.07Å; I164-H168 PolarHBondContact O-CD2 3.32Å; I164-H168 PolarHBondContact O-N 3.32Å; T165-H168 PolarHBondContact O-N 3.05Å; H168-L170 VanDerWaalsContact C-N 3.33Å; H168-M171 PolarHBondContact O-N 2.92Å; H168-H172 WeakPolarHBondContact O-CB 3.36Å; H168-H172 PolarHBondContact O-N 2.94Å
169L88.4Confident88.2Confident43 Ų4347.1 Ų47.123%0.22527%0.27CS..Hα-helixtrans-61.9-42.9175.8-77.8170.6000111.2F6 F9 T165 A166 H172 L173F6-L169 HydrophobicContact CD1-CD2 4.43Å; F6-L169 HydrophobicContact CE1-CD1 4.14Å; F6-L169 HydrophobicContact CE1-CD2 4.07Å; F9-L169 HydrophobicContact CE2-CD1 4.44Å; F9-L169 HydrophobicContact CE2-CD2 3.67Å; F9-L169 HydrophobicContact CE2-CG 3.76Å; F9-L169 HydrophobicContact CZ-CD2 4.29Å; F9-L169 HydrophobicContact CZ-CG 3.91Å; T165-L169 WeakPolarHBondContact O-CB 3.03Å; T165-L169 WeakPolarHBondContact O-CG 3.24Å; T165-L169 PolarHBondContact O-N 3.46Å; A166-L169 PolarHBondContact O-N 3.46Å; L169-H172 PolarHBondContact O-N 3.49Å; L169-L173 WeakPolarHBondContact O-CB 3.27Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.49Å; L169-L173 PolarHBondContact O-N 3.31Å
170L90.3Very high88.3Confident79 Ų7944.5 Ų44.541%0.41427%0.271SS..Hα-helixtrans-67.7-41.8-179-155.5153.8000111.1A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.26Å; A166-L170 WeakPolarHBondContact O-CB 3.48Å; A166-L170 PolarHBondContact O-N 3.2Å; G167-L170 PolarHBondContact O-N 2.93Å; H168-L170 VanDerWaalsContact C-N 3.33Å; L170-H172 VanDerWaalsContact C-N 3.34Å; L170-H172 PolarHBondContact O-N 2.98Å; L170-L173 PolarHBondContact O-N 3.41Å; L170-I174 HydrophobicContact CD2-CD1 3.47Å; L170-I174 VanDerWaalsContact CD2-CD1 3.47Å; L170-I174 HydrophobicContact CD2-CG1 4.06Å; L170-I174 WeakPolarHBondContact O-CG1 3.37Å; L170-I174 PolarHBondContact O-N 3.02Å; L170-L199 HydrophobicContact CB-CD2 4.35Å; L170-L199 HydrophobicContact CD2-CD1 3.66Å; L170-L199 HydrophobicContact CD2-CD2 3.22Å; L170-L199 HydrophobicContact CD2-CG 4.05Å; L170-L199 HydrophobicContact CG-CD2 4.36Å
171M90.6Very high88.6Confident32 Ų3247.5 Ų47.516%0.15829%0.285CS..Hα-helixtrans-59.1-43.5171.9-75.6-172.3-68.800111.8L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 4Å; G167-M171 WeakPolarHBondContact O-CB 3.39Å; G167-M171 WeakPolarHBondContact O-CG 3.35Å; G167-M171 PolarHBondContact O-N 3.35Å; H168-M171 PolarHBondContact O-N 2.92Å; M171-G175 PolarHBondContact O-N 3.11Å; M171-L199 HydrophobicContact CB-CD2 4.28Å; M171-L199 HydrophobicContact CG-CD2 3.53Å; M171-L199 HydrophobicContact CG-CG 4.14Å; M171-T200 HydrophobicContact SD-CG2 3.98Å; M171-E203 HydrophobicContact CE-CG 4.13Å
172H89.3Confident88.7Confident90 Ų9050 Ų5042%0.41730%0.303SS..Hα-helixtrans-67.6-41.3178.6-169.5-61.4000112.3L5 H168 L169 L170 G175 S176L5-H172 WeakPolarHBondContact CD2-CE1 3.25Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.28Å; H168-H172 WeakPolarHBondContact O-CB 3.36Å; H168-H172 PolarHBondContact O-N 2.94Å; L169-H172 PolarHBondContact O-N 3.49Å; L170-H172 VanDerWaalsContact C-N 3.34Å; L170-H172 PolarHBondContact O-N 2.98Å; H172-G175 PolarHBondContact O-N 2.94Å; H172-S176 WeakPolarHBondContact O-CB 3.45Å; H172-S176 PolarHBondContact O-N 3.05Å; H172-S176 PolarHBondContact O-OG 3.29Å
173L90.1Very high88.8Confident90 Ų9053.7 Ų53.747%0.47132%0.322SS..Hα-helixtrans-63.8-48.6178.4-74.3171.6000111.2L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 4.11Å; L5-L173 HydrophobicContact CD2-CD2 4.39Å; L169-L173 WeakPolarHBondContact O-CB 3.27Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.49Å; L169-L173 PolarHBondContact O-N 3.31Å; L170-L173 PolarHBondContact O-N 3.41Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.44Å; L173-S176 PolarHBondContact O-N 3Å; L173-S176 PolarHBondContact O-OG 3.07Å; L173-A177 PolarHBondContact O-N 3.29Å
174I91.4Very high88.8Confident35 Ų3555.7 Ų55.718%0.17933%0.332CS..Hα-helixtrans-64.1-40.6176.6-64.5-173.1000110.6L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.47Å; L170-I174 VanDerWaalsContact CD2-CD1 3.47Å; L170-I174 HydrophobicContact CD2-CG1 4.06Å; L170-I174 WeakPolarHBondContact O-CG1 3.37Å; L170-I174 PolarHBondContact O-N 3.02Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.34Å; I174-A177 WeakPolarHBondContact O-CB 3.23Å; I174-A177 PolarHBondContact O-N 3.28Å; I174-A177 VanDerWaalsContact O-N 3.14Å; I174-T178 HydrophobicContact CG2-CG2 4.37Å; I174-T178 WeakPolarHBondContact O-CG2 3.32Å; I174-T178 PolarHBondContact O-N 3.28Å; I174-T178 PolarHBondContact O-OG1 3.35Å; I174-I192 HydrophobicContact CG2-CG2 3.77Å; I174-I195 HydrophobicContact CD1-CG2 4Å; I174-L196 HydrophobicContact CB-CD1 4.24Å; I174-L196 HydrophobicContact CG2-CB 3.95Å; I174-L196 HydrophobicContact CG2-CD1 4.02Å; I174-L199 HydrophobicContact CD1-CD2 4.16Å
175G90.1Very high88.9Confident25 Ų2560 Ų6026%0.25835%0.354SS..Hα-helixtrans-61.3-37174.800000113.7M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 3.11Å; H172-G175 PolarHBondContact O-N 2.94Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.44Å; G175-T178 WeakPolarHBondContact CA-OG1 3.26Å; G175-T178 PolarHBondContact O-OG1 3.03Å; G175-L179 PolarHBondContact O-N 2.85Å
176S89Confident88.9Confident58 Ų5865 Ų6541%0.40638%0.379SS..Hα-helixtrans-70.3-35.4173.671.80000112.2H172 L173 I174 L179 A180H172-S176 WeakPolarHBondContact O-CB 3.45Å; H172-S176 PolarHBondContact O-N 3.05Å; H172-S176 PolarHBondContact O-OG 3.29Å; L173-S176 PolarHBondContact O-N 3Å; L173-S176 PolarHBondContact O-OG 3.07Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.34Å; S176-L179 PolarHBondContact O-N 3.45Å; S176-A180 WeakPolarHBondContact O-CB 3.39Å; S176-A180 PolarHBondContact O-N 2.98Å
177A88.6Confident89Confident40 Ų4066.9 Ų66.933%0.33139%0.387SS..Hα-helixtrans-69.3-40.9176.400000111.9L173 I174 L179 A180 M181L173-A177 PolarHBondContact O-N 3.29Å; I174-A177 WeakPolarHBondContact O-CB 3.23Å; I174-A177 PolarHBondContact O-N 3.28Å; I174-A177 VanDerWaalsContact O-N 3.14Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 2.97Å; A177-A180 PolarHBondContact O-N 2.85Å; A177-M181 WeakPolarHBondContact O-CB 3.12Å; A177-M181 WeakPolarHBondContact O-CG 3.47Å; A177-M181 PolarHBondContact O-N 3.45Å
178T90.8Very high88.9Confident18 Ų1868.3 Ų68.311%0.1140%0.396CS..Hα-helixtrans-61-42.4174.156.10000110.9I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.37Å; I174-T178 WeakPolarHBondContact O-CG2 3.32Å; I174-T178 PolarHBondContact O-N 3.28Å; I174-T178 PolarHBondContact O-OG1 3.35Å; G175-T178 WeakPolarHBondContact CA-OG1 3.26Å; G175-T178 PolarHBondContact O-OG1 3.03Å; T178-M181 PolarHBondContact O-N 3.45Å; T178-S182 WeakPolarHBondContact O-CB 3.38Å; T178-S182 PolarHBondContact O-N 2.98Å; T178-I192 HydrophobicContact CG2-CB 3.85Å; T178-I192 HydrophobicContact CG2-CG2 3.36Å
179L89.9Confident89.1Confident129 Ų12967.9 Ų67.968%0.67540%0.396SS*.Hα-helixtrans-66.4-41.5179.2-163.1136.9000111.7G175 S176 A177 S182G175-L179 PolarHBondContact O-N 2.85Å; S176-L179 PolarHBondContact O-N 3.45Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 2.97Å; L179-S182 PolarHBondContact O-N 3.48Å; L179-S182 PolarHBondContact O-OG 3.45Å
180A88.8Confident89.2Confident48 Ų4871.5 Ų71.540%0.39742%0.415SS..Hα-helixtrans-64.3-45.9174.500000112.2S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.39Å; S176-A180 PolarHBondContact O-N 2.98Å; A177-A180 PolarHBondContact O-N 2.85Å; A180-S182 VanDerWaalsContact C-N 3.27Å; A180-S182 PolarHBondContact O-N 3.31Å; A180-T183 PolarHBondContact O-N 3.36Å; A180-T183 PolarHBondContact O-OG1 3.37Å
181M87.3Confident89.4Confident62 Ų6272.7 Ų72.731%0.30542%0.42SS..Hα-helixtrans-69-24.5-179-67.9-64.6115.500113.3A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.12Å; A177-M181 WeakPolarHBondContact O-CG 3.47Å; A177-M181 PolarHBondContact O-N 3.45Å; T178-M181 PolarHBondContact O-N 3.45Å; M181-T183 PolarHBondContact O-N 3.32Å; M181-T183 VanDerWaalsContact O-N 3.17Å; M181-I184 HydrophobicContact CE-CD1 3.61Å; M181-I184 PolarHBondContact O-N 3Å; M181-I184 HydrophobicContact SD-CD1 4.16Å; M181-N185 PolarHBondContact O-N 2.88Å; M181-T189 PolarHBondContact O-OG1 3.44Å; M181-T189 VanDerWaalsContact O-OG1 3.09Å; M181-I192 HydrophobicContact CB-CD1 4.24Å; M181-I192 HydrophobicContact CG-CD1 3.7Å
182S87.8Confident89.5Confident65 Ų6573.1 Ų73.146%0.45542%0.423SS..Hα-helixtrans-57.3-30176.577.10000112.9T178 L179 A180 T189T178-S182 WeakPolarHBondContact O-CB 3.38Å; T178-S182 PolarHBondContact O-N 2.98Å; L179-S182 PolarHBondContact O-N 3.48Å; L179-S182 PolarHBondContact O-OG 3.45Å; A180-S182 VanDerWaalsContact C-N 3.27Å; A180-S182 PolarHBondContact O-N 3.31Å; S182-T189 VanDerWaalsContact CA-OG1 3.29Å; S182-T189 WeakPolarHBondContact CA-OG1 3.31Å; S182-T189 PolarHBondContact N-OG1 3.35Å
183T87.6Confident89.6Confident119 Ų11974 Ų7473%0.7343%0.426SS*.THydrogen-bonded Turntrans-81.9-19.2178.766.60000113.6A180 M181A180-T183 PolarHBondContact O-N 3.36Å; A180-T183 PolarHBondContact O-OG1 3.37Å; M181-T183 PolarHBondContact O-N 3.32Å; M181-T183 VanDerWaalsContact O-N 3.17Å
184I87.9Confident89.8Confident104 Ų10473.2 Ų73.253%0.53343%0.425SS..THydrogen-bonded Turntrans-98.7-60.9-173-56.7173.4000110.1M181M181-I184 HydrophobicContact CE-CD1 3.61Å; M181-I184 PolarHBondContact O-N 3Å; M181-I184 HydrophobicContact SD-CD1 4.16Å
185N88.3Confident89.9Confident94 Ų9475.6 Ų75.650%0.50344%0.437SS..  trans-147.1116.2-172-82.8-24.6000111.8M181 S188 T189M181-N185 PolarHBondContact O-N 2.88Å; N185-S188 WeakPolarHBondContact CB-OG 3.47Å; N185-S188 PolarHBondContact O-N 3.36Å; N185-S188 PolarHBondContact O-OG 2.9Å; N185-T189 PolarHBondContact O-N 2.86Å; N185-T189 PolarHBondContact O-OG1 2.98Å
186L86.9Confident90.1Very high141 Ų14176 Ų7674%0.73843%0.433SS*.Hα-helixtrans-56.4-46.4178-157.390.6000114.7S188 T189 L190L186-S188 PolarHBondContact O-N 3.3Å; L186-T189 WeakPolarHBondContact O-CB 3.48Å; L186-T189 PolarHBondContact O-N 2.87Å; L186-L190 PolarHBondContact O-N 2.83Å
187P88.8Confident90.3Very high94 Ų9476.9 Ų76.961%0.6143%0.432SS*.Hα-helixtrans-67.5-36.5-176.624.8-33.1000112.5T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.32Å; P187-T189 PolarHBondContact O-N 3.38Å; P187-L190 PolarHBondContact O-N 3.39Å; P187-I191 PolarHBondContact O-N 2.87Å
188S87.4Confident90.6Very high37 Ų3780.7 Ų80.726%0.25945%0.447SS..Hα-helixtrans-66.3-35.3175.770.30000112.4N185 L186 L190 I191 I192N185-S188 WeakPolarHBondContact CB-OG 3.47Å; N185-S188 PolarHBondContact O-N 3.36Å; N185-S188 PolarHBondContact O-OG 2.9Å; L186-S188 PolarHBondContact O-N 3.3Å; S188-L190 VanDerWaalsContact C-N 3.31Å; S188-L190 PolarHBondContact O-N 2.99Å; S188-I191 PolarHBondContact O-N 2.94Å; S188-I192 WeakPolarHBondContact O-CG1 3.31Å; S188-I192 PolarHBondContact O-N 2.87Å; S188-I192 VanDerWaalsContact O-N 3.17Å
189T91.9Very high90.7Very high23 Ų2381 Ų8114%0.14145%0.448CS..Hα-helixtrans-62.8-40.4176.4-57.70000111.2M181 S182 N185 L186 P187 I191 I192 F193M181-T189 PolarHBondContact O-OG1 3.44Å; M181-T189 VanDerWaalsContact O-OG1 3.09Å; S182-T189 VanDerWaalsContact CA-OG1 3.29Å; S182-T189 WeakPolarHBondContact CA-OG1 3.31Å; S182-T189 PolarHBondContact N-OG1 3.35Å; N185-T189 PolarHBondContact O-N 2.86Å; N185-T189 PolarHBondContact O-OG1 2.98Å; L186-T189 WeakPolarHBondContact O-CB 3.48Å; L186-T189 PolarHBondContact O-N 2.87Å; P187-T189 VanDerWaalsContact C-N 3.32Å; P187-T189 PolarHBondContact O-N 3.38Å; T189-I191 VanDerWaalsContact C-N 3.3Å; T189-I191 PolarHBondContact O-N 2.99Å; T189-I192 PolarHBondContact O-N 3.49Å; T189-F193 VanDerWaalsContact O-CB 3.27Å; T189-F193 WeakPolarHBondContact O-CB 3.34Å; T189-F193 PolarHBondContact O-N 3.38Å
190L91.1Very high90.8Very high118 Ų11877.2 Ų77.262%0.61843%0.43SS*.Hα-helixtrans-62.8-38.7179.3-156.6120.1000111.7L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 2.83Å; P187-L190 PolarHBondContact O-N 3.39Å; S188-L190 VanDerWaalsContact C-N 3.31Å; S188-L190 PolarHBondContact O-N 2.99Å; L190-F193 PolarHBondContact O-N 2.95Å; L190-T194 WeakPolarHBondContact O-CG2 3.26Å; L190-T194 PolarHBondContact O-N 3.42Å
191I92.6Very high91Very high104 Ų10479.8 Ų79.853%0.53344%0.436SS..Hα-helixtrans-65.9-45.1176.6-61.6166000111.1P187 S188 T189 F193 T194 I195P187-I191 PolarHBondContact O-N 2.87Å; S188-I191 PolarHBondContact O-N 2.94Å; T189-I191 VanDerWaalsContact C-N 3.3Å; T189-I191 PolarHBondContact O-N 2.99Å; I191-F193 VanDerWaalsContact C-N 3.29Å; I191-F193 PolarHBondContact O-N 2.99Å; I191-T194 PolarHBondContact O-N 3.45Å; I191-T194 PolarHBondContact O-OG1 3.41Å; I191-I195 HydrophobicContact CG2-CD1 4.4Å; I191-I195 WeakPolarHBondContact O-CG1 3.27Å; I191-I195 PolarHBondContact O-N 3.24Å
192I92.9Very high91.2Very high42 Ų4281.7 Ų81.722%0.21545%0.447CS..Hα-helixtrans-69.8-33.4179.5-56.7170.1000110.3I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.77Å; T178-I192 HydrophobicContact CG2-CB 3.85Å; T178-I192 HydrophobicContact CG2-CG2 3.36Å; M181-I192 HydrophobicContact CB-CD1 4.24Å; M181-I192 HydrophobicContact CG-CD1 3.7Å; S188-I192 WeakPolarHBondContact O-CG1 3.31Å; S188-I192 PolarHBondContact O-N 2.87Å; S188-I192 VanDerWaalsContact O-N 3.17Å; T189-I192 PolarHBondContact O-N 3.49Å; I192-I195 WeakPolarHBondContact O-CB 3.45Å; I192-I195 PolarHBondContact O-N 3.13Å; I192-L196 PolarHBondContact O-N 2.98Å
193F92.6Very high91.3Very high107 Ų10779.2 Ų79.247%0.46943%0.428SS..Hα-helixtrans-66.1-38.8175.7-173.4-106.1000112.6T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.27Å; T189-F193 WeakPolarHBondContact O-CB 3.34Å; T189-F193 PolarHBondContact O-N 3.38Å; L190-F193 PolarHBondContact O-N 2.95Å; I191-F193 VanDerWaalsContact C-N 3.29Å; I191-F193 PolarHBondContact O-N 2.99Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 2.87Å; F193-L196 HydrophobicContact CD2-CD2 4.41Å; F193-L196 WeakPolarHBondContact O-CB 3.49Å; F193-L196 PolarHBondContact O-N 3.4Å; F193-I197 HydrophobicContact CD1-CD1 3.87Å; F193-I197 HydrophobicContact CE1-CD1 3.54Å; F193-I197 HydrophobicContact CE1-CG1 4.27Å; F193-I197 HydrophobicContact CZ-CD1 4.16Å; F193-I197 HydrophobicContact CZ-CG1 4.48Å; F193-I197 PolarHBondContact O-N 3.46Å
194T93.5Very high91.5Very high75 Ų7577.7 Ų77.746%0.4641%0.414SS..Hα-helixtrans-65-36.9173.356.70000111.8L190 I191 L196 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.26Å; L190-T194 PolarHBondContact O-N 3.42Å; I191-T194 PolarHBondContact O-N 3.45Å; I191-T194 PolarHBondContact O-OG1 3.41Å; T194-L196 VanDerWaalsContact C-N 3.35Å; T194-I197 PolarHBondContact O-N 3.05Å; T194-L198 PolarHBondContact O-N 3.43Å
195I94.4Very high91.7Very high84 Ų8474.9 Ų74.943%0.43141%0.407SS..Hα-helixtrans-62-42.4172.8-65.1167.3000110.9I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4Å; I191-I195 HydrophobicContact CG2-CD1 4.4Å; I191-I195 WeakPolarHBondContact O-CG1 3.27Å; I191-I195 PolarHBondContact O-N 3.24Å; I192-I195 WeakPolarHBondContact O-CB 3.45Å; I192-I195 PolarHBondContact O-N 3.13Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 2.87Å; I195-I197 PolarHBondContact O-N 3.45Å; I195-L198 PolarHBondContact O-N 3.19Å; I195-L199 WeakPolarHBondContact O-CB 3.43Å; I195-L199 PolarHBondContact O-N 2.82Å
196L93.5Very high91.8Very high33 Ų3372.2 Ų72.217%0.17339%0.394CS..Hα-helixtrans-59.2-46.2176.2-177.666.6000111.4I174 I192 F193 T194 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.24Å; I174-L196 HydrophobicContact CG2-CB 3.95Å; I174-L196 HydrophobicContact CG2-CD1 4.02Å; I192-L196 PolarHBondContact O-N 2.98Å; F193-L196 HydrophobicContact CD2-CD2 4.41Å; F193-L196 WeakPolarHBondContact O-CB 3.49Å; F193-L196 PolarHBondContact O-N 3.4Å; T194-L196 VanDerWaalsContact C-N 3.35Å; L196-L198 PolarHBondContact O-N 2.88Å; L196-L199 WeakPolarHBondContact O-CB 3.38Å; L196-L199 PolarHBondContact O-N 3.47Å; L196-T200 VanDerWaalsContact O-CG2 3.32Å; L196-T200 WeakPolarHBondContact O-CG2 3.44Å; L196-T200 PolarHBondContact O-N 2.74Å
197I93.1Very high92Very high77 Ų7765.7 Ų65.740%0.39536%0.361SS..Hα-helixtrans-59.6-47.6176.8-67.3165.8000110.5F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.87Å; F193-I197 HydrophobicContact CE1-CD1 3.54Å; F193-I197 HydrophobicContact CE1-CG1 4.27Å; F193-I197 HydrophobicContact CZ-CD1 4.16Å; F193-I197 HydrophobicContact CZ-CG1 4.48Å; F193-I197 PolarHBondContact O-N 3.46Å; T194-I197 PolarHBondContact O-N 3.05Å; I195-I197 PolarHBondContact O-N 3.45Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.33Å; I197-T200 PolarHBondContact O-N 2.83Å; I197-T200 VanDerWaalsContact O-N 3.14Å; I197-T200 PolarHBondContact O-OG1 3.14Å; I197-I201 HydrophobicContact CG2-CD1 4.14Å; I197-I201 WeakPolarHBondContact O-CG1 3.35Å; I197-I201 PolarHBondContact O-N 2.98Å; I197-I201 VanDerWaalsContact O-N 3.14Å
198L94.8Very high92Very high121 Ų12166.5 Ų66.563%0.63436%0.359SS*.Hα-helixtrans-60-40.7179.5-175.864.4000111.7T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 3.43Å; I195-L198 PolarHBondContact O-N 3.19Å; L196-L198 PolarHBondContact O-N 2.88Å; L198-I201 PolarHBondContact O-N 2.89Å; L198-L202 PolarHBondContact O-N 3.12Å
199L93.3Very high92.2Very high24 Ų2469.2 Ų69.213%0.12637%0.37CS..Hα-helixtrans-62.9-42175.6-177.472.9000112.1L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.35Å; L170-L199 HydrophobicContact CD2-CD1 3.66Å; L170-L199 HydrophobicContact CD2-CD2 3.22Å; L170-L199 HydrophobicContact CD2-CG 4.05Å; L170-L199 HydrophobicContact CG-CD2 4.36Å; M171-L199 HydrophobicContact CB-CD2 4.28Å; M171-L199 HydrophobicContact CG-CD2 3.53Å; M171-L199 HydrophobicContact CG-CG 4.14Å; I174-L199 HydrophobicContact CD1-CD2 4.16Å; I195-L199 WeakPolarHBondContact O-CB 3.43Å; I195-L199 PolarHBondContact O-N 2.82Å; L196-L199 WeakPolarHBondContact O-CB 3.38Å; L196-L199 PolarHBondContact O-N 3.47Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.33Å; L199-I201 VanDerWaalsContact C-N 3.29Å; L199-I201 PolarHBondContact O-N 3.19Å; L199-L202 HydrophobicContact CD1-CD2 4.45Å; L199-L202 WeakPolarHBondContact O-CB 3.27Å; L199-L202 PolarHBondContact O-N 3.14Å; L199-E203 PolarHBondContact O-N 2.97Å
200T91.4Very high92Very high50 Ų5068.6 Ų68.631%0.30737%0.365SS..Hα-helixtrans-62.1-38.6177.664.90000112.1M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.98Å; L196-T200 VanDerWaalsContact O-CG2 3.32Å; L196-T200 WeakPolarHBondContact O-CG2 3.44Å; L196-T200 PolarHBondContact O-N 2.74Å; I197-T200 PolarHBondContact O-N 2.83Å; I197-T200 VanDerWaalsContact O-N 3.14Å; I197-T200 PolarHBondContact O-OG1 3.14Å; T200-E203 PolarHBondContact O-N 2.99Å; T200-I204 VanDerWaalsContact O-CG1 3.29Å; T200-I204 WeakPolarHBondContact O-CG1 3.49Å; T200-I204 PolarHBondContact O-N 2.92Å
201I92.9Very high92Very high102 Ų10263 Ų6352%0.52334%0.336SS..Hα-helixtrans-64.7-43.3175.6-64.6167.6000110.5I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.14Å; I197-I201 WeakPolarHBondContact O-CG1 3.35Å; I197-I201 PolarHBondContact O-N 2.98Å; I197-I201 VanDerWaalsContact O-N 3.14Å; L198-I201 PolarHBondContact O-N 2.89Å; L199-I201 VanDerWaalsContact C-N 3.29Å; L199-I201 PolarHBondContact O-N 3.19Å; I201-E203 VanDerWaalsContact C-N 3.32Å; I201-E203 PolarHBondContact O-N 3.16Å; I201-I204 PolarHBondContact O-N 3.06Å; I201-A205 PolarHBondContact O-N 2.77Å; I201-A205 VanDerWaalsContact O-N 3.16Å
202L91.9Very high91.8Very high101 Ų10163 Ų6353%0.52933%0.33SS..Hα-helixtrans-59.3-45.6175.7179.967.5000110.9L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 3.12Å; L199-L202 HydrophobicContact CD1-CD2 4.45Å; L199-L202 WeakPolarHBondContact O-CB 3.27Å; L199-L202 PolarHBondContact O-N 3.14Å; L202-I204 PolarHBondContact O-N 2.95Å; L202-A205 WeakPolarHBondContact O-CB 3.44Å; L202-A205 PolarHBondContact O-N 2.65Å; L202-A205 VanDerWaalsContact O-N 3.12Å; L202-V206 HydrophobicContact CD1-CG2 4.36Å; L202-V206 HydrophobicContact CG-CG2 4.31Å; L202-V206 WeakPolarHBondContact O-CG2 3.49Å; L202-V206 PolarHBondContact O-N 3.48Å
203E90.9Very high91.7Very high13 Ų1363 Ų636%0.06133%0.332CS..Hα-helixtrans-67.2-36.7-176.7-162.164.6-161.200112.2L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.37Å; L87-E203 HydrophobicContact CD2-CB 4.19Å; L87-E203 HydrophobicContact CD2-CG 3.37Å; G167-E203 WeakPolarHBondContact CA-OE2 3.49Å; M171-E203 HydrophobicContact CE-CG 4.13Å; L199-E203 PolarHBondContact O-N 2.97Å; T200-E203 PolarHBondContact O-N 2.99Å; I201-E203 VanDerWaalsContact C-N 3.32Å; I201-E203 PolarHBondContact O-N 3.16Å; E203-A205 VanDerWaalsContact C-N 3.31Å; E203-A205 PolarHBondContact O-N 3.48Å; E203-V206 PolarHBondContact O-N 3.02Å; E203-A207 VanDerWaalsContact O-CB 3.31Å; E203-A207 WeakPolarHBondContact O-CB 3.39Å; E203-A207 PolarHBondContact O-N 3.38Å
204I91.1Very high91.4Very high87 Ų8758 Ų5845%0.44631%0.31SS..Hα-helixtrans-59.7-43.4171.6-67.2164.6000110.6L87 T200 I201 L202 L208L87-I204 HydrophobicContact CD1-CB 4.21Å; L87-I204 HydrophobicContact CD1-CG1 3.62Å; T200-I204 VanDerWaalsContact O-CG1 3.29Å; T200-I204 WeakPolarHBondContact O-CG1 3.49Å; T200-I204 PolarHBondContact O-N 2.92Å; I201-I204 PolarHBondContact O-N 3.06Å; L202-I204 PolarHBondContact O-N 2.95Å; I204-L208 PolarHBondContact O-N 2.96Å
205A91.9Very high91.2Very high46 Ų4654.4 Ų54.438%0.3829%0.288SS..Hα-helixtrans-65.4-45.5177.100000111.7I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 2.77Å; I201-A205 VanDerWaalsContact O-N 3.16Å; L202-A205 WeakPolarHBondContact O-CB 3.44Å; L202-A205 PolarHBondContact O-N 2.65Å; L202-A205 VanDerWaalsContact O-N 3.12Å; E203-A205 VanDerWaalsContact C-N 3.31Å; E203-A205 PolarHBondContact O-N 3.48Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.46Å; A205-L208 PolarHBondContact O-N 3.43Å; A205-I209 WeakPolarHBondContact O-CB 3.49Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.32Å; A205-I209 PolarHBondContact O-N 3.14Å
206V91.8Very high90.9Very high38 Ų3852.7 Ų52.723%0.2328%0.279CS..Hα-helixtrans-61-42.5178172.50000111N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.07Å; L202-V206 HydrophobicContact CD1-CG2 4.36Å; L202-V206 HydrophobicContact CG-CG2 4.31Å; L202-V206 WeakPolarHBondContact O-CG2 3.49Å; L202-V206 PolarHBondContact O-N 3.48Å; E203-V206 PolarHBondContact O-N 3.02Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.47Å; V206-I209 PolarHBondContact O-N 3.39Å; V206-Q210 WeakPolarHBondContact O-CB 3.29Å; V206-Q210 PolarHBondContact O-N 2.69Å
207A89.3Confident90.6Very high4 Ų452.8 Ų52.83%0.03328%0.28CS..Hα-helixtrans-57.7-42.2178.300000112.9N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.92Å; L87-A207 HydrophobicContact CD1-CB 4.11Å; E203-A207 VanDerWaalsContact O-CB 3.31Å; E203-A207 WeakPolarHBondContact O-CB 3.39Å; E203-A207 PolarHBondContact O-N 3.38Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.46Å; A207-A211 PolarHBondContact O-N 2.91Å
208L89.3Confident90.2Very high111 Ų11149.4 Ų49.458%0.58126%0.263SS*.Hα-helixtrans-74.8-45.2179-168.8152.6000111.8I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 2.96Å; A205-L208 PolarHBondContact O-N 3.43Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.47Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 3.33Å; L208-A211 PolarHBondContact O-N 2.95Å; L208-Y212 PolarHBondContact O-N 3.34Å; L208-Y212 VanDerWaalsContact O-N 3.14Å
209I90.9Very high89.8Confident94 Ų9443.7 Ų43.748%0.48223%0.233SC..Hα-helixtrans-60.5-40.4178-68.9166.9000110.3A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.49Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.32Å; A205-I209 PolarHBondContact O-N 3.14Å; V206-I209 PolarHBondContact O-N 3.39Å; I209-A211 PolarHBondContact O-N 3.27Å; I209-Y212 WeakPolarHBondContact O-CB 3.48Å; I209-Y212 PolarHBondContact O-N 3.06Å; I209-V213 HydrophobicContact CG2-CG2 4.03Å; I209-V213 WeakPolarHBondContact O-CG2 3.43Å; I209-V213 PolarHBondContact O-N 3.27Å
210Q89.3Confident89.4Confident10 Ų1046.2 Ų46.25%0.04725%0.246CC..Hα-helixtrans-66-38.8-178.3-173.462.38.900112.2R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.3Å; R159-Q210 VanDerWaalsContact CG-NE2 3.34Å; L160-Q210 HydrophobicContact CB-CG 4.14Å; L160-Q210 HydrophobicContact CD1-CG 3.76Å; L160-Q210 HydrophobicContact CG-CG 3.75Å; L160-Q210 VanDerWaalsContact N-NE2 3.11Å; V206-Q210 WeakPolarHBondContact O-CB 3.29Å; V206-Q210 PolarHBondContact O-N 2.69Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 3.33Å; Q210-Y212 VanDerWaalsContact C-N 3.34Å; Q210-F214 VanDerWaalsContact O-CB 3.3Å; Q210-F214 WeakPolarHBondContact O-CB 3.46Å; Q210-F214 PolarHBondContact O-N 3.47Å
211A89.8Confident88.9Confident1 Ų144.8 Ų44.81%0.00824%0.236CC..Hα-helixtrans-61.6-44172.400000111.3I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.46Å; I79-A211 HydrophobicContact CB-CB 4.04Å; I79-A211 HydrophobicContact CG2-CB 3.72Å; A80-A211 HydrophobicContact CB-CB 3.91Å; A207-A211 PolarHBondContact O-N 2.91Å; L208-A211 PolarHBondContact O-N 2.95Å; I209-A211 PolarHBondContact O-N 3.27Å; A211-T215 VanDerWaalsContact O-CG2 3.28Å; A211-T215 WeakPolarHBondContact O-CG2 3.44Å; A211-T215 PolarHBondContact O-N 3.47Å; A211-T215 PolarHBondContact O-OG1 3.48Å
212Y89.9Confident88.4Confident104 Ų10440 Ų4041%0.40821%0.211SC..Hα-helixtrans-62.3-52.4177.1176-102.4000112.2I76 L208 I209 Q210 F214 T215 L216I76-Y212 HydrophobicContact CD1-CD2 4.24Å; L208-Y212 PolarHBondContact O-N 3.34Å; L208-Y212 VanDerWaalsContact O-N 3.14Å; I209-Y212 WeakPolarHBondContact O-CB 3.48Å; I209-Y212 PolarHBondContact O-N 3.06Å; Q210-Y212 VanDerWaalsContact C-N 3.34Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 3.23Å; Y212-T215 PolarHBondContact O-N 3.28Å; Y212-T215 PolarHBondContact O-OG1 3.2Å; Y212-L216 HydrophobicContact CE1-CD1 3.66Å; Y212-L216 HydrophobicContact CE2-CD1 4.39Å; Y212-L216 WeakPolarHBondContact O-CB 3.42Å; Y212-L216 PolarHBondContact O-N 3.35Å; Y212-L216 VanDerWaalsContact OH-CD1 3.32Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.34Å
213V89.9Confident87.9Confident42 Ų4239 Ų3926%0.25520%0.203SC..Hα-helixtrans-60.7-39.1-179.8172.60000111.4I209 L217I209-V213 HydrophobicContact CG2-CG2 4.03Å; I209-V213 WeakPolarHBondContact O-CG2 3.43Å; I209-V213 PolarHBondContact O-N 3.27Å; V213-L217 HydrophobicContact CG1-CD1 3.93Å; V213-L217 WeakPolarHBondContact O-CG 3.41Å; V213-L217 PolarHBondContact O-N 3Å; V213-L217 VanDerWaalsContact O-N 3.07Å
214F87.1Confident87.3Confident1 Ų141.9 Ų41.90%0.00422%0.219CC..Hα-helixtrans-57.4-52.8176.4-173.6-77000110.9L75 I79 A105 L108 L156 L160 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.22Å; L75-F214 HydrophobicContact CD2-CD1 3.81Å; L75-F214 HydrophobicContact CD2-CE1 3.75Å; L75-F214 HydrophobicContact CG-CD1 4.42Å; L75-F214 HydrophobicContact CG-CE1 4.28Å; I79-F214 HydrophobicContact CD1-CB 4.27Å; I79-F214 HydrophobicContact CD1-CD1 3.41Å; I79-F214 VanDerWaalsContact CD1-CD1 3.41Å; I79-F214 HydrophobicContact CD1-CD2 4.32Å; I79-F214 HydrophobicContact CD1-CE1 3.75Å; I79-F214 HydrophobicContact CD1-CG 3.75Å; I79-F214 HydrophobicContact CD1-CZ 4.32Å; A105-F214 HydrophobicContact CB-CE2 4.38Å; A105-F214 HydrophobicContact CB-CZ 4.15Å; L108-F214 HydrophobicContact CD1-CE1 4.18Å; L156-F214 HydrophobicContact CD1-CD2 4.21Å; L156-F214 HydrophobicContact CD1-CG 4.47Å; L156-F214 HydrophobicContact CD2-CD1 4.09Å; L156-F214 HydrophobicContact CD2-CD2 3.33Å; L156-F214 HydrophobicContact CD2-CE1 3.91Å; L156-F214 HydrophobicContact CD2-CE2 3.13Å; L156-F214 HydrophobicContact CD2-CG 3.82Å; L156-F214 HydrophobicContact CD2-CZ 3.44Å; L156-F214 VanDerWaalsContact CD2-CZ 3.44Å; L156-F214 HydrophobicContact CG-CD2 3.45Å; L156-F214 VanDerWaalsContact CG-CD2 3.45Å; L156-F214 HydrophobicContact CG-CE2 3.63Å; L156-F214 HydrophobicContact CG-CG 4.12Å; L156-F214 HydrophobicContact CG-CZ 4.4Å; L160-F214 HydrophobicContact CD1-CD2 4Å; Q210-F214 VanDerWaalsContact O-CB 3.3Å; Q210-F214 WeakPolarHBondContact O-CB 3.46Å; Q210-F214 PolarHBondContact O-N 3.47Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 3.23Å; F214-L217 PolarHBondContact O-N 3.17Å; F214-V218 HydrophobicContact CD1-CG2 4.35Å; F214-V218 HydrophobicContact CE1-CG2 4.15Å; F214-V218 WeakPolarHBondContact O-CG2 3.4Å; F214-V218 PolarHBondContact O-N 2.91Å
215T88.9Confident86.5Confident0 Ų039.3 Ų39.30%021%0.206CC..Hα-helixtrans-72.6-32.8-175.963.90000113M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.42Å; L75-T215 HydrophobicContact CB-CG2 4.24Å; L75-T215 HydrophobicContact CD2-CG2 3.5Å; L75-T215 VanDerWaalsContact CD2-CG2 3.5Å; L75-T215 HydrophobicContact CG-CG2 3.9Å; I76-T215 VanDerWaalsContact CA-CG2 3.46Å; I76-T215 HydrophobicContact CB-CG2 3.48Å; I76-T215 VanDerWaalsContact CB-CG2 3.48Å; I76-T215 HydrophobicContact CG1-CG2 4Å; A211-T215 VanDerWaalsContact O-CG2 3.28Å; A211-T215 WeakPolarHBondContact O-CG2 3.44Å; A211-T215 PolarHBondContact O-N 3.47Å; A211-T215 PolarHBondContact O-OG1 3.48Å; Y212-T215 PolarHBondContact O-N 3.28Å; Y212-T215 PolarHBondContact O-OG1 3.2Å; T215-V218 PolarHBondContact O-N 3.36Å; T215-S219 WeakPolarHBondContact O-CB 3.47Å; T215-S219 PolarHBondContact O-N 2.98Å
216L88.3Confident85.4Confident47 Ų4738.5 Ų38.525%0.24620%0.197CC..Hα-helixtrans-63.7-44.7175-175.9149.5000111.2Y212 V218 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.66Å; Y212-L216 HydrophobicContact CE2-CD1 4.39Å; Y212-L216 WeakPolarHBondContact O-CB 3.42Å; Y212-L216 PolarHBondContact O-N 3.35Å; Y212-L216 VanDerWaalsContact OH-CD1 3.32Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.34Å; L216-V218 PolarHBondContact O-N 3.04Å; L216-S219 WeakPolarHBondContact CA-OG 3.21Å; L216-S219 CarbonylContact O-C 3.58Å; L216-S219 WeakPolarHBondContact O-CB 3.5Å; L216-S219 PolarHBondContact O-N 3.09Å; L216-S219 VanDerWaalsContact O-N 3.13Å; L216-S219 PolarHBondContact O-OG 3.19Å; L216-L220 PolarHBondContact O-N 3.24Å
217L86.3Confident85.1Confident35 Ų3538.6 Ų38.618%0.18320%0.195CC..Hα-helixtrans-63-43177.7-76.1166.7000111.6L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 3.89Å; L156-L217 HydrophobicContact CD1-CD1 3.38Å; L156-L217 HydrophobicContact CD1-CG 4.26Å; V213-L217 HydrophobicContact CG1-CD1 3.93Å; V213-L217 WeakPolarHBondContact O-CG 3.41Å; V213-L217 PolarHBondContact O-N 3Å; V213-L217 VanDerWaalsContact O-N 3.07Å; F214-L217 PolarHBondContact O-N 3.17Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.35Å; L217-L220 PolarHBondContact O-N 3.21Å; L217-Y221 HydrophobicContact CB-CE2 4.13Å; L217-Y221 WeakPolarHBondContact O-CD2 3.36Å; L217-Y221 WeakPolarHBondContact O-CE2 3.45Å; L217-Y221 PolarHBondContact O-N 3.48Å
218V85.7Confident84.8Confident7 Ų740.4 Ų40.44%0.04220%0.204CC..Hα-helixtrans-59.6-40.6173178.60000111.3L72 L108 L156 F214 T215 L216 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.17Å; L72-V218 HydrophobicContact CD2-CG1 3.86Å; L108-V218 HydrophobicContact CB-CG1 4.36Å; L156-V218 HydrophobicContact CD2-CG2 4.36Å; F214-V218 HydrophobicContact CD1-CG2 4.35Å; F214-V218 HydrophobicContact CE1-CG2 4.15Å; F214-V218 WeakPolarHBondContact O-CG2 3.4Å; F214-V218 PolarHBondContact O-N 2.91Å; T215-V218 PolarHBondContact O-N 3.36Å; L216-V218 PolarHBondContact O-N 3.04Å; V218-Y221 PolarHBondContact O-N 3.43Å; V218-L222 PolarHBondContact O-N 2.86Å
219S86.7Confident84.6Confident1 Ų136.4 Ų36.41%0.00718%0.183CC..Hα-helixtrans-66.5-38.1177.184.30000112.4H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact NE2-O 2.96Å; T215-S219 WeakPolarHBondContact O-CB 3.47Å; T215-S219 PolarHBondContact O-N 2.98Å; L216-S219 WeakPolarHBondContact CA-OG 3.21Å; L216-S219 CarbonylContact O-C 3.58Å; L216-S219 WeakPolarHBondContact O-CB 3.5Å; L216-S219 PolarHBondContact O-N 3.09Å; L216-S219 VanDerWaalsContact O-N 3.13Å; L216-S219 PolarHBondContact O-OG 3.19Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.35Å; S219-L222 WeakPolarHBondContact O-CB 3.38Å; S219-L222 PolarHBondContact O-N 3.46Å; S219-H223 PolarHBondContact O-N 3.28Å
220L84.6Confident84.2Confident76 Ų7633.1 Ų33.140%0.39817%0.165SC..Hα-helixtrans-65.6-41.9176.3-169.9150000110.9L216 L217 L222 H223 D224L216-L220 PolarHBondContact O-N 3.24Å; L217-L220 PolarHBondContact O-N 3.21Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.3Å; L220-H223 WeakPolarHBondContact O-CB 3.29Å; L220-H223 PolarHBondContact O-N 3.43Å; L220-H223 VanDerWaalsContact O-N 3.09Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.41Å; L220-D224 PolarHBondContact O-N 3Å
221Y80.1Confident83.9Confident21 Ų2134.5 Ų34.58%0.08217%0.173CC..Hα-helixtrans-61.6-38.1172.9-60.5-46.4000112.6Q152 L217 V218 H223 N225Q152-Y221 HydrophobicContact CG-CE1 4.35Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.43Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.26Å; Q152-Y221 PolarHBondContact NE2-OH 3.42Å; Q152-Y221 VanDerWaalsContact OE1-CZ 3.32Å; Q152-Y221 PolarHBondContact OE1-OH 3.31Å; L217-Y221 HydrophobicContact CB-CE2 4.13Å; L217-Y221 WeakPolarHBondContact O-CD2 3.36Å; L217-Y221 WeakPolarHBondContact O-CE2 3.45Å; L217-Y221 PolarHBondContact O-N 3.48Å; V218-Y221 PolarHBondContact O-N 3.43Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; Y221-N225 VanDerWaalsContact O-CB 3.3Å; Y221-N225 WeakPolarHBondContact O-CB 3.27Å; Y221-N225 PolarHBondContact O-N 2.82Å; Y221-N225 VanDerWaalsContact O-N 3.14Å; Y221-N225 PolarHBondContact O-ND2 3.33Å
222L82Confident83.5Confident2 Ų236.7 Ų36.71%0.0118%0.184CC..Hα-helixtrans-64-42.7175.1-167.877.5000110.4W68 A112 M115 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.52Å; W68-L222 HydrophobicContact CD2-CD1 3.64Å; W68-L222 HydrophobicContact CD2-CD2 4.2Å; W68-L222 HydrophobicContact CE3-CD1 3.92Å; W68-L222 HydrophobicContact CG-CD1 3.9Å; W68-L222 HydrophobicContact CG-CD2 3.69Å; W68-L222 HydrophobicContact CG-CG 4.47Å; W68-L222 HydrophobicContact CZ2-CD1 4.41Å; W68-L222 HydrophobicContact CZ3-CD1 4.4Å; A112-L222 HydrophobicContact CB-CD1 4.49Å; M115-L222 HydrophobicContact SD-CD1 4.39Å; V218-L222 PolarHBondContact O-N 2.86Å; S219-L222 WeakPolarHBondContact O-CB 3.38Å; S219-L222 PolarHBondContact O-N 3.46Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.3Å; L222-N225 PolarHBondContact O-N 3.17Å; L222-T226 HydrophobicContact CD1-CG2 4.49Å; L222-T226 HydrophobicContact CG-CG2 4.26Å; L222-T226 WeakPolarHBondContact O-CB 3.39Å; L222-T226 WeakPolarHBondContact O-CG2 3.39Å; L222-T226 PolarHBondContact O-N 3.22Å; L222-T226 VanDerWaalsContact O-N 3.09Å; L222-T226 PolarHBondContact O-OG1 3.4Å
223H81.9Confident83.1Confident78 Ų7831.9 Ų31.936%0.36117%0.168SC..Hα-helixtrans-59.4-51177.3-174.585.4000111.8M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 3.17Å; M60-H223 PolarHBondContact O-ND1 3.35Å; S219-H223 PolarHBondContact O-N 3.28Å; L220-H223 WeakPolarHBondContact O-CB 3.29Å; L220-H223 PolarHBondContact O-N 3.43Å; L220-H223 VanDerWaalsContact O-N 3.09Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; H223-N225 PolarHBondContact O-N 3.44Å; H223-T226 PolarHBondContact O-N 2.79Å; H223-T226 VanDerWaalsContact O-N 3.14Å; H223-T226 PolarHBondContact O-OG1 3.42Å
224D78.2Confident82.5Confident75 Ų7531.2 Ų31.240%0.40116%0.161SC..Hα-helixtrans-61.1-31.3-179.6-65.5-15.5000112.5L220L220-D224 WeakPolarHBondContact CD2-OD2 3.41Å; L220-D224 PolarHBondContact O-N 3Å
225N74.1Confident82.2Confident32 Ų3233.7 Ų33.717%0.17117%0.174CC..Hα-helixtrans-91.4-2.2-179.5-74.2-65.9000114.4G116 S119 Y221 L222 H223G116-N225 VanDerWaalsContact CA-O 3.25Å; G116-N225 WeakPolarHBondContact CA-O 3.48Å; S119-N225 PolarHBondContact OG-O 3.46Å; Y221-N225 VanDerWaalsContact O-CB 3.3Å; Y221-N225 WeakPolarHBondContact O-CB 3.27Å; Y221-N225 PolarHBondContact O-N 2.82Å; Y221-N225 VanDerWaalsContact O-N 3.14Å; Y221-N225 PolarHBondContact O-ND2 3.33Å; L222-N225 PolarHBondContact O-N 3.17Å; H223-N225 PolarHBondContact O-N 3.44Å
226T69.1Low81.5Confident30 Ų3036.7 Ų36.718%0.18419%0.19CC..  trans-1100-179.656.60000114.4K120 L222 H223K120-T226 WeakPolarHBondContact CE-O 3.48Å; K120-T226 PolarHBondContact NZ-O 3.39Å; L222-T226 HydrophobicContact CD1-CG2 4.49Å; L222-T226 HydrophobicContact CG-CG2 4.26Å; L222-T226 WeakPolarHBondContact O-CB 3.39Å; L222-T226 WeakPolarHBondContact O-CG2 3.39Å; L222-T226 PolarHBondContact O-N 3.22Å; L222-T226 VanDerWaalsContact O-N 3.09Å; L222-T226 PolarHBondContact O-OG1 3.4Å; H223-T226 PolarHBondContact O-N 2.79Å; H223-T226 VanDerWaalsContact O-N 3.14Å; H223-T226 PolarHBondContact O-OG1 3.42Å

Retrieved 226 of 226 residues in 183.9 ms (Link to these results)

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