A0A059RR79_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB (D9MYY6), UniProt , Accession A0A059RR79, 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
1M44.3Very low72Confident219 Ų219101.6 Ų101.6100%1.07955%0.546SS*.  01260-70.7158.594.100106.1E3M1-E3 PolarHBondContact O-N 3.44Å
2N46.8Very low73Confident162 Ų16296.4 Ų96.487%0.86652%0.522SS*.  trans-67.187.5169.2-108.817.2000106.1N4N2-N4 PolarHBondContact O-N 3.02Å
3E58.2Low74Confident127 Ų12796.7 Ų96.759%0.59353%0.529SS*.  trans-56.9113.7166.9-71.7-92.3140.200105.5M1 L5M1-E3 PolarHBondContact O-N 3.44Å; E3-L5 PolarHBondContact O-N 3.19Å
4N74.7Confident75Confident124 Ų12497.8 Ų97.866%0.66353%0.532SS*.  trans-70.579.6178.1-76.8-24.6000108.3N2 F6 A7N2-N4 PolarHBondContact O-N 3.02Å; N4-F6 PolarHBondContact O-N 3.43Å; N4-A7 HydrophobicContact CB-CB 3.84Å; N4-A7 VanDerWaalsContact O-CB 3.23Å; N4-A7 WeakPolarHBondContact O-CB 2.93Å; N4-A7 PolarHBondContact O-N 3.28Å
5L75.9Confident75.6Confident46 Ų46103 Ų10324%0.24156%0.558CS.*THydrogen-bonded Turntrans-52.5-27.4176.1-64.2176000111.8E3 L169 H172 L173E3-L5 PolarHBondContact O-N 3.19Å; L5-L169 HydrophobicContact CB-CD2 4.26Å; L5-H172 VanDerWaalsContact CD2-CE1 3.43Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.38Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.43Å; L5-L173 HydrophobicContact CD1-CD2 3.88Å; L5-L173 HydrophobicContact CD2-CD2 4.43Å
6F81.4Confident76.2Confident136 Ų136101 Ų10160%0.59657%0.569SS**THydrogen-bonded Turntrans-89.7-4.4-179.9-63.6-77.7000114.8N4 S8 F9 L169N4-F6 PolarHBondContact O-N 3.43Å; F6-S8 PolarHBondContact O-N 3.3Å; F6-F9 HydrophobicContact CB-CD2 4.49Å; F6-F9 AromaticContact CD1-CD2 3.92Å; F6-F9 HydrophobicContact CD1-CD2 3.92Å; F6-F9 HydrophobicContact CD1-CE2 4.29Å; F6-F9 PolarHBondContact O-N 3.39Å; F6-L169 HydrophobicContact CD1-CD2 4.47Å; F6-L169 HydrophobicContact CE1-CD1 4.07Å; F6-L169 HydrophobicContact CE1-CD2 4.13Å; F6-L169 HydrophobicContact CZ-CD2 4.47Å
7A80.2Confident76.6Confident52 Ų52102.5 Ų102.543%0.4358%0.575SS.*G310 helixtrans-60.2-33.4-178.100000112.4N4 F9 I10N4-A7 HydrophobicContact CB-CB 3.84Å; N4-A7 VanDerWaalsContact O-CB 3.23Å; N4-A7 WeakPolarHBondContact O-CB 2.93Å; N4-A7 PolarHBondContact O-N 3.28Å; A7-F9 PolarHBondContact O-N 3.18Å; A7-I10 PolarHBondContact O-N 3.35Å
8S79.8Confident77.1Confident57 Ų57101.2 Ų101.240%0.39957%0.571SS.*G310 helixtrans-67-21.517756.30000113.8F6 F92F6-S8 PolarHBondContact O-N 3.3Å; S8-F92 WeakPolarHBondContact O-CD2 3.09Å
9F82.6Confident77.6Confident22 Ų2296.8 Ų96.810%0.09655%0.549CS..G310 helixtrans-91.9-10.3178.4-57.5-67.5000113.1F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 HydrophobicContact CB-CD2 4.49Å; F6-F9 AromaticContact CD1-CD2 3.92Å; F6-F9 HydrophobicContact CD1-CD2 3.92Å; F6-F9 HydrophobicContact CD1-CE2 4.29Å; F6-F9 PolarHBondContact O-N 3.39Å; A7-F9 PolarHBondContact O-N 3.18Å; F9-A11 PolarHBondContact O-N 3.36Å; F9-T96 HydrophobicContact CD1-CG2 3.85Å; F9-T96 HydrophobicContact CE1-CG2 3.74Å; F9-Q97 PolarHBondContact O-NE2 3.16Å; F9-T165 HydrophobicContact CD1-CG2 4.38Å; F9-T165 HydrophobicContact CE1-CG2 4.09Å; F9-H168 HydrophobicContact CE1-CB 4.09Å; F9-H168 HydrophobicContact CZ-CB 3.83Å; F9-L169 HydrophobicContact CE2-CD1 4.4Å; F9-L169 HydrophobicContact CE2-CD2 3.71Å; F9-L169 HydrophobicContact CE2-CG 3.76Å; F9-L169 HydrophobicContact CZ-CD2 4.35Å; F9-L169 HydrophobicContact CZ-CG 3.94Å
10I84.7Confident78Confident122 Ų12292.9 Ų92.963%0.62653%0.529SS*.SBendtrans-69.5128.2178.4-59.7173.9000108.4A7 P12A7-I10 PolarHBondContact O-N 3.35Å; I10-P12 WeakPolarHBondContact O-CD 3.44Å
11A83.5Confident78.4Confident51 Ų5192.4 Ų92.442%0.42153%0.528SS..PPolyproline II helixtrans-58.3120.9179.900000110.3F9 T13 F92F9-A11 PolarHBondContact O-N 3.36Å; A11-T13 PolarHBondContact O-N 3.09Å; A11-F92 HydrophobicContact CB-CZ 4.5Å
12P83.6Confident80.4Confident39 Ų3987.9 Ų87.925%0.25351%0.507SS..PPolyproline II helixtrans-71129.3-174.226.8-33.2000110.1I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.44Å; P12-A19 HydrophobicContact CB-CB 4.23Å; P12-A19 HydrophobicContact CG-CB 4.31Å; P12-A19 WeakPolarHBondContact O-CB 3.41Å; P12-A19 PolarHBondContact O-N 3.14Å; P12-I23 HydrophobicContact CG-CD1 3.68Å; P12-F92 HydrophobicContact CG-CB 4.39Å; P12-F92 HydrophobicContact CG-CD1 4.18Å; P12-F92 HydrophobicContact CG-CG 4.11Å
13T86.9Confident82.3Confident100 Ų10082.7 Ų82.761%0.61348%0.479SS*.EExtended strand (participates in β ladder)trans-117.8127.4170.553.50000108.7A11 L17A11-T13 PolarHBondContact O-N 3.09Å; T13-L17 CarbonylContact C-O 3.58Å; T13-L17 VanDerWaalsContact CA-O 3.26Å; T13-L17 WeakPolarHBondContact CA-O 3.39Å
14I86.9Confident83.8Confident112 Ų11279 Ų7957%0.57446%0.463SS*.EExtended strand (participates in β ladder)trans-111.7122175.6-64.6171.1000106.3G16 L17 A19I14-G16 PolarHBondContact O-N 3.42Å; I14-G16 VanDerWaalsContact O-N 3.12Å; I14-L17 PolarHBondContact N-O 2.99Å; I14-L17 PolarHBondContact O-N 3.31Å; I14-A19 HydrophobicContact CB-CB 4.43Å; I14-A19 HydrophobicContact CD1-CB 3.77Å; I14-A19 HydrophobicContact CG1-CB 3.87Å
15L85.1Confident84.4Confident176 Ų17678.8 Ų78.892%0.92146%0.461SS*.THydrogen-bonded Turntrans5431.9179-72.6147.5000113.6L17L15-L17 VanDerWaalsContact C-N 3.28Å; L15-L17 PolarHBondContact O-N 2.86Å
16G84Confident85Confident71 Ų7180.9 Ų80.973%0.73247%0.468SS*.THydrogen-bonded Turntrans80.8-3.1-177.400000115.3I14I14-G16 PolarHBondContact O-N 3.42Å; I14-G16 VanDerWaalsContact O-N 3.12Å
17L84.3Confident85.3Confident127 Ų12774.6 Ų74.667%0.66544%0.441SS*.EExtended strand (participates in β ladder)trans-93.1140.8173.1-66.5169.5000111T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.58Å; T13-L17 VanDerWaalsContact CA-O 3.26Å; T13-L17 WeakPolarHBondContact CA-O 3.39Å; I14-L17 PolarHBondContact N-O 2.99Å; I14-L17 PolarHBondContact O-N 3.31Å; L15-L17 VanDerWaalsContact C-N 3.28Å; L15-L17 PolarHBondContact O-N 2.86Å; L17-A19 PolarHBondContact O-N 3.37Å
18P85Confident85.6Confident78 Ų7875.5 Ų75.551%0.50644%0.443SS..EExtended strand (participates in β ladder)trans-70.7102.2177.728.9-33.3000110.5A20 V21P18-A20 PolarHBondContact O-N 2.94Å; P18-V21 HydrophobicContact CG-CG2 4.24Å; P18-V21 PolarHBondContact O-N 3.48Å
19A86.2Confident86Confident18 Ų1879.2 Ų79.215%0.14946%0.457CS..THydrogen-bonded Turntrans-68.1-17.4177.100000112.3P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.23Å; P12-A19 HydrophobicContact CG-CB 4.31Å; P12-A19 WeakPolarHBondContact O-CB 3.41Å; P12-A19 PolarHBondContact O-N 3.14Å; I14-A19 HydrophobicContact CB-CB 4.43Å; I14-A19 HydrophobicContact CD1-CB 3.77Å; I14-A19 HydrophobicContact CG1-CB 3.87Å; L17-A19 PolarHBondContact O-N 3.37Å; A19-V21 PolarHBondContact O-N 2.96Å; A19-V21 VanDerWaalsContact O-N 3.16Å; A19-L22 WeakPolarHBondContact O-CB 3.36Å; A19-L22 PolarHBondContact O-N 3.28Å; A19-I23 PolarHBondContact O-N 3.36Å
20A85.8Confident86.3Confident19 Ų1981.9 Ų81.916%0.15747%0.472CS..Hα-helixtrans-53.1-33.4173.900000113.2P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 2.94Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3.04Å; A20-I23 PolarHBondContact O-N 3.43Å; A20-I24 WeakPolarHBondContact O-CD1 3.29Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.46Å; A20-I24 PolarHBondContact O-N 3.43Å; A20-F92 HydrophobicContact CB-CE1 4.3Å
21V85.5Confident86.4Confident82 Ų8278.6 Ų78.650%0.49746%0.455SS..Hα-helixtrans-63.4-42178.6-179.60000111.2P18 A19 I23 I24 L25P18-V21 HydrophobicContact CG-CG2 4.24Å; P18-V21 PolarHBondContact O-N 3.48Å; A19-V21 PolarHBondContact O-N 2.96Å; A19-V21 VanDerWaalsContact O-N 3.16Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.46Å; V21-I24 PolarHBondContact O-N 2.97Å; V21-L25 HydrophobicContact CG1-CD1 4.14Å; V21-L25 WeakPolarHBondContact O-CG 3.31Å; V21-L25 PolarHBondContact O-N 2.97Å; V21-L25 VanDerWaalsContact O-N 3.08Å
22L86.3Confident86.6Confident125 Ų12579 Ų7965%0.65445%0.453SS*.Hα-helixtrans-66.1-38.4179-166.8147.7000111A19 A20 L25 F26A19-L22 WeakPolarHBondContact O-CB 3.36Å; A19-L22 PolarHBondContact O-N 3.28Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3.04Å; L22-L25 PolarHBondContact O-N 3.13Å; L22-F26 PolarHBondContact O-N 3Å
23I87.9Confident86.7Confident53 Ų5383.6 Ų83.627%0.27248%0.481SS..Hα-helixtrans-66.2-41.4177.2-58.5171.9000110.8P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.68Å; A19-I23 PolarHBondContact O-N 3.36Å; A20-I23 PolarHBondContact O-N 3.43Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.46Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.29Å; I23-F26 WeakPolarHBondContact O-CB 3.44Å; I23-F26 PolarHBondContact O-N 3.3Å; I23-P27 VanDerWaalsContact O-CD 3.32Å; I23-P27 WeakPolarHBondContact O-CD 3.12Å; I23-F92 HydrophobicContact CD1-CB 3.99Å; I23-F92 HydrophobicContact CD1-CD1 3.88Å; I23-F92 HydrophobicContact CD1-CG 4.32Å; I23-F92 HydrophobicContact CG2-CD1 4.44Å
24I88.4Confident86.7Confident50 Ų5080.6 Ų80.626%0.25646%0.464SS..Hα-helixtrans-64.8-32.5176.3-69.4162000112A20 V21 F26 P27 F78 P94 M100A20-I24 WeakPolarHBondContact O-CD1 3.29Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.46Å; A20-I24 PolarHBondContact O-N 3.43Å; V21-I24 PolarHBondContact O-N 2.97Å; I24-F26 VanDerWaalsContact C-N 3.33Å; I24-P27 WeakPolarHBondContact O-CD 3.31Å; I24-F78 HydrophobicContact CG2-CZ 4.35Å; I24-P94 HydrophobicContact CD1-CB 4.29Å; I24-P94 HydrophobicContact CG1-CB 3.71Å; I24-P94 HydrophobicContact CG1-CG 4.05Å; I24-M100 HydrophobicContact CD1-CE 3.97Å; I24-M100 HydrophobicContact CD1-SD 3.62Å; I24-M100 HydrophobicContact CG1-CE 3.91Å; I24-M100 HydrophobicContact CG1-SD 4.09Å; I24-M100 HydrophobicContact CG2-CE 3.84Å
25L87.4Confident86.7Confident119 Ų11985.4 Ų85.462%0.62348%0.481SS*.Hα-helixtrans-81.1-10.4178.6-71.9171.4000113.9V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.14Å; V21-L25 WeakPolarHBondContact O-CG 3.31Å; V21-L25 PolarHBondContact O-N 2.97Å; V21-L25 VanDerWaalsContact O-N 3.08Å; L22-L25 PolarHBondContact O-N 3.13Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.29Å; L25-P28 WeakPolarHBondContact O-CD 3.21Å
26F89.3Confident86.8Confident89 Ų8985.9 Ų85.939%0.3947%0.472SS..Hα-helixtrans-70.4-44.2-177.2-168.6-95000114.9L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 3Å; I23-F26 WeakPolarHBondContact O-CB 3.44Å; I23-F26 PolarHBondContact O-N 3.3Å; I24-F26 VanDerWaalsContact C-N 3.33Å; F26-L29 VanDerWaalsContact O-CB 3.28Å; F26-L29 WeakPolarHBondContact O-CB 3.2Å; F26-L29 PolarHBondContact O-N 3.07Å; F26-L30 HydrophobicContact CD1-CG 4.5Å; F26-L30 HydrophobicContact CE1-CD1 4.23Å; F26-L30 HydrophobicContact CE1-CD2 4.02Å; F26-L30 HydrophobicContact CE1-CG 4.16Å; F26-L30 HydrophobicContact CZ-CD2 4.39Å; F26-L85 HydrophobicContact CD1-CD2 3.44Å; F26-L85 VanDerWaalsContact CD1-CD2 3.44Å; F26-L85 HydrophobicContact CE1-CD2 3.59Å
27P88.9Confident86.6Confident4 Ų490.9 Ų90.93%0.02648%0.481CS..Hα-helixtrans-56.8-41.6-178.3-15.221.4000115.1I23 I24 L29 L30 T81 T82 L85I23-P27 VanDerWaalsContact O-CD 3.32Å; I23-P27 WeakPolarHBondContact O-CD 3.12Å; I24-P27 WeakPolarHBondContact O-CD 3.31Å; P27-L29 PolarHBondContact O-N 2.86Å; P27-L30 WeakPolarHBondContact O-CB 3.36Å; P27-L30 PolarHBondContact O-N 2.96Å; P27-T81 WeakPolarHBondContact CB-OG1 3.48Å; P27-T82 HydrophobicContact CB-CG2 4.3Å; P27-T82 HydrophobicContact CG-CG2 3.53Å; P27-L85 HydrophobicContact CB-CD1 4.07Å; P27-L85 HydrophobicContact CG-CD1 4.22Å
28P85.3Confident86.6Confident71 Ų7192.3 Ų92.346%0.46149%0.487SS..Hα-helixtrans-55.5-32.5173.4-27.333.5000114.2L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.21Å; P28-L30 PolarHBondContact O-N 3.47Å; P28-I31 PolarHBondContact O-N 2.84Å
29L88.5Confident86.8Confident135 Ų13589.8 Ų89.871%0.70747%0.47SS*.Hα-helixtrans-68.1-25.4179.4-171.764.9000112.5F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.28Å; F26-L29 WeakPolarHBondContact O-CB 3.2Å; F26-L29 PolarHBondContact O-N 3.07Å; P27-L29 PolarHBondContact O-N 2.86Å; L29-I31 PolarHBondContact O-N 2.91Å
30L87.9Confident87Confident78 Ų7894.5 Ų94.541%0.40849%0.492SS..THydrogen-bonded Turntrans-74.8-7177.9-63.1-179.1000113.7F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CD1-CG 4.5Å; F26-L30 HydrophobicContact CE1-CD1 4.23Å; F26-L30 HydrophobicContact CE1-CD2 4.02Å; F26-L30 HydrophobicContact CE1-CG 4.16Å; F26-L30 HydrophobicContact CZ-CD2 4.39Å; P27-L30 WeakPolarHBondContact O-CB 3.36Å; P27-L30 PolarHBondContact O-N 2.96Å; P28-L30 PolarHBondContact O-N 3.47Å; L30-P32 WeakPolarHBondContact O-CD 3.43Å; L30-Q46 PolarHBondContact O-NE2 3.28Å; L30-L85 HydrophobicContact CD1-CD1 3.47Å; L30-L85 VanDerWaalsContact CD1-CD1 3.47Å; L30-L85 HydrophobicContact CD1-CD2 4.13Å; L30-L85 HydrophobicContact CD1-CG 4.06Å
31I88Confident87.2Confident54 Ų54103.6 Ų103.628%0.27752%0.523SS..SBendtrans-109.779.6-177.8-53.5159.9000108.3P28 L29 I77P28-I31 PolarHBondContact O-N 2.84Å; L29-I31 PolarHBondContact O-N 2.91Å; I31-I77 HydrophobicContact CD1-CG2 3.35Å; I31-I77 HydrophobicContact CG1-CG2 4.41Å
32P86.6Confident87.4Confident58 Ų58103.8 Ų103.838%0.37752%0.52SS..  trans-67139.8178.827.8-34000110.6L30 L42 I43L30-P32 WeakPolarHBondContact O-CD 3.43Å; P32-L42 HydrophobicContact CG-CD2 3.57Å; P32-I43 HydrophobicContact CB-CD1 4.48Å; P32-I43 HydrophobicContact CG-CD1 4.43Å; P32-I43 HydrophobicContact CG-CG1 4.04Å
33T87Confident87.7Confident136 Ų13698.7 Ų98.783%0.83449%0.494SS*.  trans-105.2141170.158.70000109.4
34S87Confident87.8Confident37 Ų3799.2 Ų99.226%0.25950%0.499SS..  trans-124.3148.4173.856.40000110.6N39 I43S34-N39 WeakPolarHBondContact CB-OD1 3.45Å; S34-N39 PolarHBondContact OG-ND2 3.45Å; S34-N39 PolarHBondContact OG-OD1 3.25Å; S34-I43 WeakPolarHBondContact OG-CD1 3.49Å
35K86.3Confident88Confident213 Ų213100.8 Ų100.893%0.92651%0.512SS*.  trans-88.3-11178.7-61.8-179.3-178.7178.30113
36Y86.9Confident88.1Confident187 Ų18797.3 Ų97.373%0.73349%0.492SS*.SBendtrans-82152.7-175-60.7-69.8000111.7N39Y36-N39 PolarHBondContact O-ND2 2.9Å; Y36-N39 PolarHBondContact O-OD1 3.31Å
37L79.4Confident88.2Confident176 Ų17697.7 Ų97.792%0.92150%0.495SS*.SBendtrans-72.4-39.6176.4-171.673.4000111.4
38I85.3Confident88.4Confident156 Ų156105.6 Ų105.680%0.852%0.524SS*.SBendtrans-102115.9174.8-58.3169.7000107.4
39N89.6Confident88.7Confident26 Ų26106.7 Ų106.714%0.13953%0.526CS..  trans-111.5168.8-172-69.4-31.7000112.6S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.45Å; S34-N39 PolarHBondContact OG-ND2 3.45Å; S34-N39 PolarHBondContact OG-OD1 3.25Å; Y36-N39 PolarHBondContact O-ND2 2.9Å; Y36-N39 PolarHBondContact O-OD1 3.31Å; N39-I43 HydrophobicContact CB-CB 3.92Å; N39-I43 HydrophobicContact CB-CG2 3.8Å; N39-T44 HydrophobicContact CB-CG2 4.12Å; N39-Q47 PolarHBondContact ND2-NE2 2.87Å
40N89.8Confident88.8Confident116 Ų116103 Ų10362%0.6251%0.506SS*.  trans-63.7154172.3-165.30.5000111.1L42 I43 T44N40-L42 PolarHBondContact O-N 3.01Å; N40-L42 VanDerWaalsContact O-N 3.14Å; N40-I43 PolarHBondContact O-N 3.13Å; N40-T44 PolarHBondContact O-N 3.35Å
41R89.6Confident88.9Confident210 Ų210106.5 Ų106.579%0.79252%0.518SS*.Hα-helixtrans-53-36.3-178.5-64-177.2-179.4-178.10.4113.2T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.45Å; R41-T44 PolarHBondContact O-OG1 3.46Å; R41-T45 WeakPolarHBondContact O-CG2 3.23Å; R41-T45 PolarHBondContact O-N 3.11Å; R41-T45 PolarHBondContact O-OG1 3.29Å
42L90.1Very high89.1Confident86 Ų86107.1 Ų107.145%0.4552%0.522SS..Hα-helixtrans-66.4-43.4177.3-174.9150.1000111.5P32 N40 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.57Å; N40-L42 PolarHBondContact O-N 3.01Å; N40-L42 VanDerWaalsContact O-N 3.14Å; L42-T45 PolarHBondContact O-OG1 3.11Å; L42-Q46 VanDerWaalsContact CD2-CD 3.45Å; L42-Q46 HydrophobicContact CD2-CG 4.34Å; L42-Q46 VanDerWaalsContact CD2-NE2 3.34Å; L42-Q46 WeakPolarHBondContact O-CB 3.4Å; L42-Q46 VanDerWaalsContact O-CG 3.25Å; L42-Q46 WeakPolarHBondContact O-CG 3.25Å; L42-Q46 PolarHBondContact O-N 3.19Å
43I91.8Very high89.2Confident18 Ų18105.6 Ų105.69%0.09251%0.511CS..Hα-helixtrans-71-37.3179.5-60.7174.4000110.6P32 S34 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.48Å; P32-I43 HydrophobicContact CG-CD1 4.43Å; P32-I43 HydrophobicContact CG-CG1 4.04Å; S34-I43 WeakPolarHBondContact OG-CD1 3.49Å; N39-I43 HydrophobicContact CB-CB 3.92Å; N39-I43 HydrophobicContact CB-CG2 3.8Å; N40-I43 PolarHBondContact O-N 3.13Å; I43-Q46 PolarHBondContact O-N 3.07Å; I43-Q47 HydrophobicContact CG2-CG 4.25Å; I43-Q47 WeakPolarHBondContact O-CB 3.45Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.48Å; I43-Q47 PolarHBondContact O-N 3.46Å
44T91.6Very high89.3Confident64 Ų64100.3 Ų100.339%0.39348%0.48SS..Hα-helixtrans-66.6-40.8177.658.40000112.1N39 N40 R41 Q47 W48N39-T44 HydrophobicContact CB-CG2 4.12Å; N40-T44 PolarHBondContact O-N 3.35Å; R41-T44 WeakPolarHBondContact CA-OG1 3.45Å; R41-T44 PolarHBondContact O-OG1 3.46Å; T44-Q47 PolarHBondContact O-N 3.43Å; T44-W48 WeakPolarHBondContact O-CB 3.28Å; T44-W48 PolarHBondContact O-N 3.15Å
45T91.3Very high89.4Confident84 Ų84105.8 Ų105.852%0.51550%0.5SS..Hα-helixtrans-66.4-40.4174.6510000112R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.23Å; R41-T45 PolarHBondContact O-N 3.11Å; R41-T45 PolarHBondContact O-OG1 3.29Å; L42-T45 PolarHBondContact O-OG1 3.11Å; T45-W48 PolarHBondContact O-N 3Å; T45-L49 WeakPolarHBondContact O-CB 3.43Å; T45-L49 PolarHBondContact O-N 3.3Å
46Q91.1Very high89.4Confident45 Ų45101.6 Ų101.621%0.2148%0.483CS..Hα-helixtrans-60.5-49.7172.6-75.5176-17.400112L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 3.28Å; L42-Q46 VanDerWaalsContact CD2-CD 3.45Å; L42-Q46 HydrophobicContact CD2-CG 4.34Å; L42-Q46 VanDerWaalsContact CD2-NE2 3.34Å; L42-Q46 WeakPolarHBondContact O-CB 3.4Å; L42-Q46 VanDerWaalsContact O-CG 3.25Å; L42-Q46 WeakPolarHBondContact O-CG 3.25Å; L42-Q46 PolarHBondContact O-N 3.19Å; I43-Q46 PolarHBondContact O-N 3.07Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 2.84Å; Q46-L49 PolarHBondContact O-N 3.43Å; Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.18Å; Q46-I50 PolarHBondContact O-N 3.02Å
47Q90.6Very high89.2Confident98 Ų9893.4 Ų93.446%0.45845%0.452SS..Hα-helixtrans-60.8-38.9178-74.6175.2-12.500112N39 I43 T44 K51N39-Q47 PolarHBondContact ND2-NE2 2.87Å; I43-Q47 HydrophobicContact CG2-CG 4.25Å; I43-Q47 WeakPolarHBondContact O-CB 3.45Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.48Å; I43-Q47 PolarHBondContact O-N 3.46Å; T44-Q47 PolarHBondContact O-N 3.43Å; Q47-K51 VanDerWaalsContact O-CB 3.31Å; Q47-K51 WeakPolarHBondContact O-CB 3.36Å; Q47-K51 PolarHBondContact O-N 3.48Å
48W92.4Very high89.5Confident169 Ų16986.3 Ų86.364%0.6441%0.414SS*.Hα-helixtrans-64-44.8175.4-177.882.8000112T44 T45 Q46 K51 L52T44-W48 WeakPolarHBondContact O-CB 3.28Å; T44-W48 PolarHBondContact O-N 3.15Å; T45-W48 PolarHBondContact O-N 3Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 2.84Å; W48-K51 PolarHBondContact O-N 3.46Å; W48-L52 HydrophobicContact CD2-CD1 3.73Å; W48-L52 HydrophobicContact CD2-CG 4.4Å; W48-L52 HydrophobicContact CE3-CD1 3.75Å; W48-L52 HydrophobicContact CH2-CD1 3.46Å; W48-L52 VanDerWaalsContact CH2-CD1 3.46Å; W48-L52 HydrophobicContact CZ2-CD1 3.42Å; W48-L52 VanDerWaalsContact CZ2-CD1 3.42Å; W48-L52 HydrophobicContact CZ2-CG 4.49Å; W48-L52 HydrophobicContact CZ3-CD1 3.62Å; W48-L52 WeakPolarHBondContact O-CG 3.47Å; W48-L52 PolarHBondContact O-N 2.78Å
49L91.1Very high89.4Confident94 Ų9483.6 Ų83.649%0.49241%0.405SS..Hα-helixtrans-64-42.9177.4-168148.2000111.8T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.43Å; T45-L49 PolarHBondContact O-N 3.3Å; Q46-L49 PolarHBondContact O-N 3.43Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 2.96Å; L49-L52 PolarHBondContact O-N 3.1Å; L49-T53 HydrophobicContact CD2-CG2 4.11Å; L49-T53 WeakPolarHBondContact O-CG2 3.02Å; L49-T53 PolarHBondContact O-N 3.08Å; L49-T53 PolarHBondContact O-OG1 3.27Å
50I91.4Very high88.9Confident58 Ų5888.7 Ų88.730%0.29743%0.429SS..Hα-helixtrans-61.4-42.7175-67.3169.2000110.8Q46 L52 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.18Å; Q46-I50 PolarHBondContact O-N 3.02Å; I50-L52 PolarHBondContact O-N 3.14Å; I50-T53 WeakPolarHBondContact CA-OG1 3.2Å; I50-T53 PolarHBondContact O-OG1 2.93Å; I50-T53 VanDerWaalsContact O-OG1 3.06Å; I50-S54 WeakPolarHBondContact O-CB 3.32Å; I50-S54 PolarHBondContact O-N 3.34Å; I50-S54 PolarHBondContact O-OG 3.15Å; I50-V73 HydrophobicContact CG2-CG1 3.88Å; I50-I77 HydrophobicContact CD1-CD1 4.03Å; I50-I77 HydrophobicContact CG1-CD1 3.7Å
51K91.1Very high88.5Confident151 Ų15183.5 Ų83.566%0.65740%0.402SS*.Hα-helixtrans-65.1-39178.2-174176.8180178.80112.3Q47 W48 L49 S54 K55Q47-K51 VanDerWaalsContact O-CB 3.31Å; Q47-K51 WeakPolarHBondContact O-CB 3.36Å; Q47-K51 PolarHBondContact O-N 3.48Å; W48-K51 PolarHBondContact O-N 3.46Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 2.96Å; K51-S54 WeakPolarHBondContact CA-OG 3.34Å; K51-S54 PolarHBondContact O-OG 3.43Å; K51-K55 VanDerWaalsContact O-CB 3.24Å; K51-K55 WeakPolarHBondContact O-CB 3.4Å; K51-K55 PolarHBondContact O-N 3.21Å; K51-K55 VanDerWaalsContact O-N 3.07Å
52L91.2Very high88Confident68 Ų6879.3 Ų79.336%0.35640%0.395SS..Hα-helixtrans-68.7-50178.2-74.4176.6000112.2W48 L49 I50 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.73Å; W48-L52 HydrophobicContact CD2-CG 4.4Å; W48-L52 HydrophobicContact CE3-CD1 3.75Å; W48-L52 HydrophobicContact CH2-CD1 3.46Å; W48-L52 VanDerWaalsContact CH2-CD1 3.46Å; W48-L52 HydrophobicContact CZ2-CD1 3.42Å; W48-L52 VanDerWaalsContact CZ2-CD1 3.42Å; W48-L52 HydrophobicContact CZ2-CG 4.49Å; W48-L52 HydrophobicContact CZ3-CD1 3.62Å; W48-L52 WeakPolarHBondContact O-CG 3.47Å; W48-L52 PolarHBondContact O-N 2.78Å; L49-L52 PolarHBondContact O-N 3.1Å; I50-L52 PolarHBondContact O-N 3.14Å; L52-K55 PolarHBondContact O-N 2.99Å; L52-Q56 WeakPolarHBondContact O-CG 3.45Å; L52-Q56 PolarHBondContact O-N 3.23Å
53T88.4Confident87.5Confident25 Ų2580.5 Ų80.515%0.15341%0.406CS..Hα-helixtrans-61.7-46.7-179.549.10000111.4L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 4.11Å; L49-T53 WeakPolarHBondContact O-CG2 3.02Å; L49-T53 PolarHBondContact O-N 3.08Å; L49-T53 PolarHBondContact O-OG1 3.27Å; I50-T53 WeakPolarHBondContact CA-OG1 3.2Å; I50-T53 PolarHBondContact O-OG1 2.93Å; I50-T53 VanDerWaalsContact O-OG1 3.06Å; T53-K55 PolarHBondContact O-N 2.76Å; T53-Q56 PolarHBondContact O-N 3.16Å; T53-M57 WeakPolarHBondContact O-CG 3.43Å; T53-M57 PolarHBondContact O-N 3.32Å
54S88.8Confident86.9Confident26 Ų2685.6 Ų85.618%0.18243%0.427CS..Hα-helixtrans-58-48.917458.40000111.9I50 K51 Q56 M57 M58I50-S54 WeakPolarHBondContact O-CB 3.32Å; I50-S54 PolarHBondContact O-N 3.34Å; I50-S54 PolarHBondContact O-OG 3.15Å; K51-S54 WeakPolarHBondContact CA-OG 3.34Å; K51-S54 PolarHBondContact O-OG 3.43Å; S54-Q56 VanDerWaalsContact C-N 3.32Å; S54-Q56 PolarHBondContact O-N 3.35Å; S54-M57 PolarHBondContact O-N 3.41Å; S54-M58 VanDerWaalsContact CA-CE 3.46Å; S54-M58 WeakPolarHBondContact O-CB 3.38Å; S54-M58 WeakPolarHBondContact O-CE 3.41Å; S54-M58 PolarHBondContact O-N 3.12Å; S54-M58 VanDerWaalsContact O-SD 3.39Å
55K89Confident86.2Confident152 Ų15282.6 Ų82.666%0.66141%0.409SS*.Hα-helixtrans-58.5-43.3178.8-174.1179.6178.5-174.80112.1K51 L52 T53 T59K51-K55 VanDerWaalsContact O-CB 3.24Å; K51-K55 WeakPolarHBondContact O-CB 3.4Å; K51-K55 PolarHBondContact O-N 3.21Å; K51-K55 VanDerWaalsContact O-N 3.07Å; L52-K55 PolarHBondContact O-N 2.99Å; T53-K55 PolarHBondContact O-N 2.76Å; K55-T59 WeakPolarHBondContact O-CG2 3.42Å; K55-T59 PolarHBondContact O-N 2.96Å
56Q86.5Confident85.8Confident125 Ų12585.1 Ų85.158%0.58441%0.409SS*.Hα-helixtrans-70-38.5-179.3-73.9178.9-25.900113.1L52 T53 S54 T59L52-Q56 WeakPolarHBondContact O-CG 3.45Å; L52-Q56 PolarHBondContact O-N 3.23Å; T53-Q56 PolarHBondContact O-N 3.16Å; S54-Q56 VanDerWaalsContact C-N 3.32Å; S54-Q56 PolarHBondContact O-N 3.35Å; Q56-T59 PolarHBondContact O-OG1 2.91Å
57M84.2Confident85.6Confident14 Ų1487.9 Ų87.97%0.06943%0.429CS..Hα-helixtrans-74.4-37.3179.1-71.5-172.3166.600112.6T53 S54 T59 H61 L72 I76 Y212 T215T53-M57 WeakPolarHBondContact O-CG 3.43Å; T53-M57 PolarHBondContact O-N 3.32Å; S54-M57 PolarHBondContact O-N 3.41Å; M57-T59 PolarHBondContact O-N 2.92Å; M57-H61 PolarHBondContact O-ND1 3.11Å; M57-L72 HydrophobicContact SD-CB 4.35Å; M57-I76 HydrophobicContact CE-CD1 3.81Å; M57-Y212 HydrophobicContact CE-CD2 4.47Å; M57-T215 WeakPolarHBondContact CE-OG1 3.21Å
58M84.2Confident85.4Confident28 Ų2885.4 Ų85.414%0.13842%0.416CS..Hα-helixtrans-82.1-9.3-175.8-86.475.883.600114.9S54 M60 H61 R66 S69S54-M58 VanDerWaalsContact CA-CE 3.46Å; S54-M58 WeakPolarHBondContact O-CB 3.38Å; S54-M58 WeakPolarHBondContact O-CE 3.41Å; S54-M58 PolarHBondContact O-N 3.12Å; S54-M58 VanDerWaalsContact O-SD 3.39Å; M58-M60 PolarHBondContact O-N 3.19Å; M58-H61 PolarHBondContact O-N 3.49Å; M58-R66 HydrophobicContact CB-CG 4.37Å; M58-R66 HydrophobicContact CG-CG 3.97Å; M58-S69 VanDerWaalsContact CE-CB 3.49Å; M58-S69 WeakPolarHBondContact CE-OG 3.42Å
59T84.3Confident85.1Confident99 Ų9978.9 Ų78.961%0.60740%0.396SS*.THydrogen-bonded Turntrans-63.1-32.6172.851.60000111.8K55 Q56 M57 H61K55-T59 WeakPolarHBondContact O-CG2 3.42Å; K55-T59 PolarHBondContact O-N 2.96Å; Q56-T59 PolarHBondContact O-OG1 2.91Å; M57-T59 PolarHBondContact O-N 2.92Å; T59-H61 VanDerWaalsContact C-N 3.34Å
60M77.8Confident85.1Confident132 Ų13281.3 Ų81.365%0.6541%0.408SS*.THydrogen-bonded Turntrans-81.4-12.7-179.9-53-15983.400113.4M58 H223M58-M60 PolarHBondContact O-N 3.19Å; M60-H223 PolarHBondContact O-CE1 3.38Å; M60-H223 PolarHBondContact O-ND1 3.48Å
61H81.6Confident85.1Confident8 Ų881.6 Ų81.64%0.03741%0.409CS..  trans-105.6139.2-169.3-71.877.6000113.6M57 M58 T59 R66 S219M57-H61 PolarHBondContact O-ND1 3.11Å; M58-H61 PolarHBondContact O-N 3.49Å; T59-H61 VanDerWaalsContact C-N 3.34Å; H61-R66 HydrophobicContact CB-CG 4.35Å; H61-R66 PolarHBondContact O-NE 3.3Å; H61-S219 PolarHBondContact CE1-O 3.3Å; H61-S219 PolarHBondContact NE2-O 2.99Å
62N79.5Confident85Confident121 Ų12174.5 Ų74.565%0.64738%0.379SS*.  trans-74.6172.1171-126.7-10.5000111.7K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.29Å; N62-K64 PolarHBondContact O-N 3.37Å; N62-K64 VanDerWaalsContact O-N 3.17Å; N62-G65 PolarHBondContact O-N 2.95Å; N62-R66 PolarHBondContact O-N 3.09Å
63T80Confident85Confident111 Ų11172 Ų7268%0.68137%0.366SS*.THydrogen-bonded Turntrans-54.2-38.5-173.554.30000114.3
64K78.4Confident85.2Confident125 Ų12573.9 Ų73.954%0.54338%0.381SS..THydrogen-bonded Turntrans-67.5-44.8175.1-69.7-177.1-178.1176.30112.3N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.29Å; N62-K64 PolarHBondContact O-N 3.37Å; N62-K64 VanDerWaalsContact O-N 3.17Å; K64-R66 VanDerWaalsContact C-N 3.27Å; K64-R66 PolarHBondContact O-N 3.4Å; K64-T67 WeakPolarHBondContact O-CB 3.27Å; K64-T67 PolarHBondContact O-N 3.35Å; K64-T67 PolarHBondContact O-OG1 3.08Å
65G77.6Confident85.3Confident1 Ų173.4 Ų73.41%0.0138%0.376CS..G310 helixtrans-63.9-30.6177.600000113.1N62 T67 W68N62-G65 PolarHBondContact O-N 2.95Å; G65-T67 PolarHBondContact O-N 3.25Å; G65-T67 VanDerWaalsContact O-N 3.17Å; G65-W68 PolarHBondContact O-N 2.64Å; G65-W68 VanDerWaalsContact O-N 3.08Å
66R83.1Confident85.4Confident138 Ų13867 Ų6752%0.52135%0.349SS..G310 helixtrans-62.8-20.9175.6-70.8-178.6-176.7-176.40.6114M58 H61 N62 K64 W68 S69M58-R66 HydrophobicContact CB-CG 4.37Å; M58-R66 HydrophobicContact CG-CG 3.97Å; H61-R66 HydrophobicContact CB-CG 4.35Å; H61-R66 PolarHBondContact O-NE 3.3Å; N62-R66 PolarHBondContact O-N 3.09Å; K64-R66 VanDerWaalsContact C-N 3.27Å; K64-R66 PolarHBondContact O-N 3.4Å; R66-W68 PolarHBondContact O-N 3.49Å; R66-S69 WeakPolarHBondContact O-CB 3.31Å; R66-S69 PolarHBondContact O-N 3.18Å; R66-S69 VanDerWaalsContact O-N 3.08Å
67T85.9Confident85.6Confident102 Ų10262.6 Ų62.663%0.62633%0.329SS*.G310 helixtrans-63.2-25.7174.662.30000112.5K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.27Å; K64-T67 PolarHBondContact O-N 3.35Å; K64-T67 PolarHBondContact O-OG1 3.08Å; G65-T67 PolarHBondContact O-N 3.25Å; G65-T67 VanDerWaalsContact O-N 3.17Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 3.26Å
68W86.2Confident86Confident46 Ų4664.3 Ų64.317%0.17434%0.336CS..G310 helixtrans-85.50.1177.3-74.350.6000113.6G65 R66 L70 M71 L72 M115 L222G65-W68 PolarHBondContact O-N 2.64Å; G65-W68 VanDerWaalsContact O-N 3.08Å; R66-W68 PolarHBondContact O-N 3.49Å; W68-L70 VanDerWaalsContact C-N 3.27Å; W68-L70 PolarHBondContact O-N 2.93Å; W68-M71 HydrophobicContact CD2-CE 3.82Å; W68-M71 HydrophobicContact CE3-CE 3.01Å; W68-M71 HydrophobicContact CH2-CE 3.84Å; W68-M71 HydrophobicContact CZ3-CE 3.04Å; W68-M71 PolarHBondContact O-N 3.02Å; W68-L72 PolarHBondContact O-N 2.95Å; W68-M115 HydrophobicContact CZ2-SD 3.96Å; W68-M115 PolarHBondContact NE1-SD 3.17Å; W68-L222 HydrophobicContact CB-CD2 3.46Å; W68-L222 VanDerWaalsContact CB-CD2 3.46Å; W68-L222 HydrophobicContact CD2-CD1 3.7Å; W68-L222 HydrophobicContact CD2-CD2 3.97Å; W68-L222 HydrophobicContact CD2-CG 4.5Å; W68-L222 HydrophobicContact CE3-CD1 3.83Å; W68-L222 HydrophobicContact CE3-CD2 4.15Å; W68-L222 HydrophobicContact CG-CD1 4.06Å; W68-L222 HydrophobicContact CG-CD2 3.62Å; W68-L222 HydrophobicContact CZ3-CD1 4.3Å
69S87.3Confident86.3Confident32 Ų3263.1 Ų63.122%0.22433%0.33CS..Hα-helixtrans-47.3-49.5177.9161.80000112.4M58 R66 T67 M71 L72 V73M58-S69 VanDerWaalsContact CE-CB 3.49Å; M58-S69 WeakPolarHBondContact CE-OG 3.42Å; R66-S69 WeakPolarHBondContact O-CB 3.31Å; R66-S69 PolarHBondContact O-N 3.18Å; R66-S69 VanDerWaalsContact O-N 3.08Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 3.26Å; S69-M71 VanDerWaalsContact C-N 3.27Å; S69-M71 PolarHBondContact O-N 3.36Å; S69-L72 PolarHBondContact O-N 2.8Å; S69-V73 WeakPolarHBondContact O-CB 3.33Å; S69-V73 VanDerWaalsContact O-CG2 3.25Å; S69-V73 WeakPolarHBondContact O-CG2 3.35Å; S69-V73 PolarHBondContact O-N 3.43Å
70L90.6Very high86.6Confident145 Ų14559.8 Ų59.876%0.75931%0.312SS*.Hα-helixtrans-59.6-43.7-176.2-171.399000110.5W68 S74W68-L70 VanDerWaalsContact C-N 3.27Å; W68-L70 PolarHBondContact O-N 2.93Å; L70-S74 WeakPolarHBondContact O-CB 3.19Å; L70-S74 PolarHBondContact O-N 2.88Å; L70-S74 PolarHBondContact O-OG 3.22Å
71M90.9Very high87.2Confident64 Ų6455 Ų5532%0.31529%0.291SS..Hα-helixtrans-66.7-48.2-178.5-169.1168.167.500111.4W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 3.82Å; W68-M71 HydrophobicContact CE3-CE 3.01Å; W68-M71 HydrophobicContact CH2-CE 3.84Å; W68-M71 HydrophobicContact CZ3-CE 3.04Å; W68-M71 PolarHBondContact O-N 3.02Å; S69-M71 VanDerWaalsContact C-N 3.27Å; S69-M71 PolarHBondContact O-N 3.36Å; M71-V73 VanDerWaalsContact C-N 3.32Å; M71-V73 PolarHBondContact O-N 3.01Å; M71-S74 WeakPolarHBondContact CA-OG 3.31Å; M71-S74 PolarHBondContact O-N 3.17Å; M71-S74 PolarHBondContact O-OG 3.36Å; M71-L75 VanDerWaalsContact O-CB 3.26Å; M71-L75 WeakPolarHBondContact O-CB 3.26Å; M71-L75 PolarHBondContact O-N 3.17Å; M71-L108 HydrophobicContact CE-CD2 3.37Å; M71-L108 HydrophobicContact CG-CD2 4.12Å; M71-L108 HydrophobicContact SD-CD2 3.52Å; M71-L108 VanDerWaalsContact SD-CD2 3.52Å
72L90.4Very high87.7Confident2 Ų254.8 Ų54.81%0.0129%0.29CS..Hα-helixtrans-59.5-42.6178.6-67.9174.1000112.2M57 W68 S69 L75 I76 V218M57-L72 HydrophobicContact SD-CB 4.35Å; W68-L72 PolarHBondContact O-N 2.95Å; S69-L72 PolarHBondContact O-N 2.8Å; L72-L75 PolarHBondContact O-N 2.99Å; L72-I76 PolarHBondContact O-N 3.13Å; L72-V218 HydrophobicContact CD2-CB 4.3Å; L72-V218 HydrophobicContact CD2-CG1 3.88Å
73V91.3Very high88.2Confident15 Ų1549.1 Ų49.19%0.09126%0.26CS..Hα-helixtrans-67.5-42.6177.5172.40000111.2I50 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.88Å; S69-V73 WeakPolarHBondContact O-CB 3.33Å; S69-V73 VanDerWaalsContact O-CG2 3.25Å; S69-V73 WeakPolarHBondContact O-CG2 3.35Å; S69-V73 PolarHBondContact O-N 3.43Å; M71-V73 VanDerWaalsContact C-N 3.32Å; M71-V73 PolarHBondContact O-N 3.01Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 3.39Å; V73-I76 VanDerWaalsContact O-CG2 3.28Å; V73-I76 WeakPolarHBondContact O-CG2 3.21Å; V73-I77 HydrophobicContact CG1-CD1 3.77Å; V73-I77 VanDerWaalsContact O-CD1 3.29Å; V73-I77 WeakPolarHBondContact O-CD1 3.42Å; V73-I77 VanDerWaalsContact O-CG1 3.22Å; V73-I77 WeakPolarHBondContact O-CG1 3.31Å; V73-I77 PolarHBondContact O-N 3.06Å
74S91.4Very high88.7Confident66 Ų6648.5 Ų48.546%0.46225%0.252SS..Hα-helixtrans-63.2-37.7176.669.50000112.1L70 M71 F78L70-S74 WeakPolarHBondContact O-CB 3.19Å; L70-S74 PolarHBondContact O-N 2.88Å; L70-S74 PolarHBondContact O-OG 3.22Å; M71-S74 WeakPolarHBondContact CA-OG 3.31Å; M71-S74 PolarHBondContact O-N 3.17Å; M71-S74 PolarHBondContact O-OG 3.36Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.32Å; S74-F78 PolarHBondContact O-N 3.29Å
75L90.8Very high89.2Confident16 Ų1644.3 Ų44.38%0.08424%0.235CC..Hα-helixtrans-67.3-47.9-179.1-176.980.5000112M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 VanDerWaalsContact O-CB 3.26Å; M71-L75 WeakPolarHBondContact O-CB 3.26Å; M71-L75 PolarHBondContact O-N 3.17Å; L72-L75 PolarHBondContact O-N 2.99Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 3.39Å; L75-I77 VanDerWaalsContact C-N 3.3Å; L75-I77 PolarHBondContact O-N 3.2Å; L75-F78 PolarHBondContact O-N 3.12Å; L75-I79 HydrophobicContact CD1-CD1 4.03Å; L75-I79 HydrophobicContact CG-CD1 3.88Å; L75-I79 WeakPolarHBondContact O-CG1 3.46Å; L75-I79 PolarHBondContact O-N 2.96Å; L75-L108 HydrophobicContact CD1-CD1 3.55Å; L75-L108 HydrophobicContact CD2-CD1 3.82Å; L75-L108 HydrophobicContact CG-CD1 4.33Å; L75-F214 HydrophobicContact CD1-CE1 4.12Å; L75-F214 HydrophobicContact CD2-CD1 3.85Å; L75-F214 HydrophobicContact CD2-CE1 3.71Å; L75-F214 HydrophobicContact CG-CD1 4.38Å; L75-F214 HydrophobicContact CG-CE1 4.2Å; L75-T215 HydrophobicContact CB-CG2 4.14Å; L75-T215 HydrophobicContact CD2-CG2 3.46Å; L75-T215 VanDerWaalsContact CD2-CG2 3.46Å; L75-T215 HydrophobicContact CG-CG2 3.79Å
76I91.4Very high89.6Confident17 Ų1744.4 Ų44.49%0.08724%0.236CC..Hα-helixtrans-62.9-41.1179.8-168.7170000111M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CD1 3.81Å; L72-I76 PolarHBondContact O-N 3.13Å; V73-I76 VanDerWaalsContact O-CG2 3.28Å; V73-I76 WeakPolarHBondContact O-CG2 3.21Å; I76-A80 WeakPolarHBondContact O-CB 3.46Å; I76-A80 PolarHBondContact O-N 3.42Å; I76-A211 HydrophobicContact CG1-CB 4.45Å; I76-Y212 HydrophobicContact CD1-CD2 4.21Å; I76-T215 VanDerWaalsContact CA-CG2 3.5Å; I76-T215 HydrophobicContact CB-CG2 3.51Å; I76-T215 HydrophobicContact CG1-CG2 4.14Å
77I91.5Very high89.8Confident33 Ų3339.7 Ų39.717%0.16922%0.221CC..Hα-helixtrans-67.1-43178.7-63.5165.3000110.4I31 I50 V73 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.35Å; I31-I77 HydrophobicContact CG1-CG2 4.41Å; I50-I77 HydrophobicContact CD1-CD1 4.03Å; I50-I77 HydrophobicContact CG1-CD1 3.7Å; V73-I77 HydrophobicContact CG1-CD1 3.77Å; V73-I77 VanDerWaalsContact O-CD1 3.29Å; V73-I77 WeakPolarHBondContact O-CD1 3.42Å; V73-I77 VanDerWaalsContact O-CG1 3.22Å; V73-I77 WeakPolarHBondContact O-CG1 3.31Å; V73-I77 PolarHBondContact O-N 3.06Å; L75-I77 VanDerWaalsContact C-N 3.3Å; L75-I77 PolarHBondContact O-N 3.2Å; I77-T81 HydrophobicContact CG2-CG2 4.32Å; I77-T81 WeakPolarHBondContact O-CB 3.37Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.02Å; I77-T81 PolarHBondContact O-N 3.34Å; I77-T81 PolarHBondContact O-OG1 2.98Å
78F91.1Very high89.9Confident50 Ų5039.5 Ų39.522%0.21922%0.215CC..Hα-helixtrans-60.5-53.4178.2179.8-105.4000111.7I24 S74 L75 A80 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.35Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.32Å; S74-F78 PolarHBondContact O-N 3.29Å; L75-F78 PolarHBondContact O-N 3.12Å; F78-A80 PolarHBondContact O-N 2.81Å; F78-T81 PolarHBondContact O-N 3.42Å; F78-T81 PolarHBondContact O-OG1 2.9Å; F78-T82 HydrophobicContact CD2-CG2 4.31Å; F78-T82 HydrophobicContact CE1-CG2 4.22Å; F78-T82 HydrophobicContact CE2-CG2 3.92Å; F78-T82 HydrophobicContact CZ-CG2 3.88Å; F78-T82 WeakPolarHBondContact O-CG2 3.2Å; F78-T82 PolarHBondContact O-N 2.94Å; F78-T82 PolarHBondContact O-OG1 3.03Å; F78-T82 VanDerWaalsContact O-OG1 3.08Å; F78-M100 HydrophobicContact CE1-CE 4.06Å; F78-M100 HydrophobicContact CZ-CE 3.82Å; F78-M104 HydrophobicContact CD1-SD 3.95Å; F78-M104 HydrophobicContact CE1-CE 3.79Å; F78-M104 HydrophobicContact CE1-SD 3.68Å
79I91.1Very high89.7Confident2 Ų242.6 Ų42.61%0.0124%0.242CC..Hα-helixtrans-65.1-42.5-178-61.5170.4000111.1L75 T81 T82 N83 M104 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 4.03Å; L75-I79 HydrophobicContact CG-CD1 3.88Å; L75-I79 WeakPolarHBondContact O-CG1 3.46Å; L75-I79 PolarHBondContact O-N 2.96Å; I79-T81 PolarHBondContact O-N 2.9Å; I79-T82 WeakPolarHBondContact CA-OG1 3.39Å; I79-T82 PolarHBondContact O-OG1 2.92Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.43Å; I79-N83 WeakPolarHBondContact O-CB 3.3Å; I79-N83 PolarHBondContact O-N 3.24Å; I79-N83 PolarHBondContact O-ND2 3.06Å; I79-N83 PolarHBondContact O-OD1 3.38Å; I79-M104 HydrophobicContact CG1-SD 4.47Å; I79-L160 HydrophobicContact CG2-CD1 3.62Å; I79-A211 HydrophobicContact CB-CB 4.05Å; I79-A211 HydrophobicContact CG2-CB 3.74Å; I79-F214 HydrophobicContact CD1-CB 4.33Å; I79-F214 HydrophobicContact CD1-CD1 3.39Å; I79-F214 HydrophobicContact CD1-CD2 4.35Å; I79-F214 HydrophobicContact CD1-CE1 3.71Å; I79-F214 HydrophobicContact CD1-CG 3.78Å; I79-F214 HydrophobicContact CD1-CZ 4.31Å
80A90.7Very high89.5Confident29 Ų2950.8 Ų50.824%0.2428%0.276CS..Hα-helixtrans-62.9-43.9179.300000111.5I76 F78 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.46Å; I76-A80 PolarHBondContact O-N 3.42Å; F78-A80 PolarHBondContact O-N 2.81Å; A80-L84 VanDerWaalsContact O-CB 3.26Å; A80-L84 WeakPolarHBondContact O-CB 3.09Å; A80-L84 PolarHBondContact O-N 3.46Å; A80-A211 HydrophobicContact CB-CB 3.91Å
81T91.2Very high89.3Confident32 Ų3245.4 Ų45.420%0.19625%0.251CS..Hα-helixtrans-68-46.7178.852.60000111.5P27 I77 F78 I79 N83 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.48Å; I77-T81 HydrophobicContact CG2-CG2 4.32Å; I77-T81 WeakPolarHBondContact O-CB 3.37Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.02Å; I77-T81 PolarHBondContact O-N 3.34Å; I77-T81 PolarHBondContact O-OG1 2.98Å; F78-T81 PolarHBondContact O-N 3.42Å; F78-T81 PolarHBondContact O-OG1 2.9Å; I79-T81 PolarHBondContact O-N 2.9Å; T81-N83 VanDerWaalsContact C-N 3.31Å; T81-N83 PolarHBondContact O-N 3.3Å; T81-L84 PolarHBondContact O-N 3.4Å; T81-L85 WeakPolarHBondContact O-CB 3.18Å; T81-L85 WeakPolarHBondContact O-CD1 3.42Å; T81-L85 PolarHBondContact O-N 3.07Å
82T91Very high88.9Confident4 Ų443.7 Ų43.73%0.02524%0.241CC..Hα-helixtrans-59.7-40.5177.852.40000112.7P27 F78 I79 G86 T95P27-T82 HydrophobicContact CB-CG2 4.3Å; P27-T82 HydrophobicContact CG-CG2 3.53Å; F78-T82 HydrophobicContact CD2-CG2 4.31Å; F78-T82 HydrophobicContact CE1-CG2 4.22Å; F78-T82 HydrophobicContact CE2-CG2 3.92Å; F78-T82 HydrophobicContact CZ-CG2 3.88Å; F78-T82 WeakPolarHBondContact O-CG2 3.2Å; F78-T82 PolarHBondContact O-N 2.94Å; F78-T82 PolarHBondContact O-OG1 3.03Å; F78-T82 VanDerWaalsContact O-OG1 3.08Å; I79-T82 WeakPolarHBondContact CA-OG1 3.39Å; I79-T82 PolarHBondContact O-OG1 2.92Å; T82-G86 PolarHBondContact O-N 3.16Å; T82-G86 VanDerWaalsContact O-N 3.09Å; T82-T95 WeakPolarHBondContact OG1-CG2 3.34Å
83N91.1Very high88.6Confident2 Ų243.8 Ų43.81%0.01124%0.242CC..Hα-helixtrans-71.1-41-179.4-67.3-8.7000111.3I79 T81 G86 L87 T95 I164 A207I79-N83 WeakPolarHBondContact CG2-ND2 3.43Å; I79-N83 WeakPolarHBondContact O-CB 3.3Å; I79-N83 PolarHBondContact O-N 3.24Å; I79-N83 PolarHBondContact O-ND2 3.06Å; I79-N83 PolarHBondContact O-OD1 3.38Å; T81-N83 VanDerWaalsContact C-N 3.31Å; T81-N83 PolarHBondContact O-N 3.3Å; N83-G86 WeakPolarHBondContact O-CA 3.5Å; N83-G86 PolarHBondContact O-N 3.33Å; N83-G86 VanDerWaalsContact O-N 3.15Å; N83-L87 PolarHBondContact O-N 3.47Å; N83-T95 WeakPolarHBondContact OD1-CB 3.26Å; N83-T95 VanDerWaalsContact OD1-CG2 3.31Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.49Å; N83-T95 PolarHBondContact OD1-OG1 2.8Å; N83-I164 HydrophobicContact CB-CD1 4.27Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.43Å; N83-A207 HydrophobicContact CB-CB 3.94Å
84L89.9Confident88.2Confident98 Ų9843.4 Ų43.451%0.51324%0.24SC..Hα-helixtrans-71-42.6-178.9-165.2122.9000112.3A80 T81 G86 L87 I204A80-L84 VanDerWaalsContact O-CB 3.26Å; A80-L84 WeakPolarHBondContact O-CB 3.09Å; A80-L84 PolarHBondContact O-N 3.46Å; T81-L84 PolarHBondContact O-N 3.4Å; L84-G86 PolarHBondContact O-N 2.95Å; L84-L87 PolarHBondContact O-N 3.08Å; L84-I204 HydrophobicContact CD1-CG2 4.5Å
85L89.9Confident87.9Confident37 Ų3740.3 Ų40.319%0.19422%0.218CC..Hα-helixtrans-55.5-35.1168.3-90.9122.2000111.8F26 P27 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD2 3.44Å; F26-L85 VanDerWaalsContact CD1-CD2 3.44Å; F26-L85 HydrophobicContact CE1-CD2 3.59Å; P27-L85 HydrophobicContact CB-CD1 4.07Å; P27-L85 HydrophobicContact CG-CD1 4.22Å; L30-L85 HydrophobicContact CD1-CD1 3.47Å; L30-L85 VanDerWaalsContact CD1-CD1 3.47Å; L30-L85 HydrophobicContact CD1-CD2 4.13Å; L30-L85 HydrophobicContact CD1-CG 4.06Å; T81-L85 WeakPolarHBondContact O-CB 3.18Å; T81-L85 WeakPolarHBondContact O-CD1 3.42Å; T81-L85 PolarHBondContact O-N 3.07Å; L85-L87 PolarHBondContact O-N 3.37Å; L85-L88 VanDerWaalsContact O-CB 3.28Å; L85-L88 WeakPolarHBondContact O-CB 3.35Å; L85-L88 VanDerWaalsContact O-CG 3.3Å; L85-L88 WeakPolarHBondContact O-CG 3.26Å; L85-L88 PolarHBondContact O-N 3.31Å; L85-S91 PolarHBondContact O-OG 3.37Å; L85-S91 VanDerWaalsContact O-OG 3.08Å
86G85.9Confident87.7Confident2 Ų240 Ų402%0.02122%0.217CC..THydrogen-bonded Turntrans-63.4-22.4179.300000117T82 N83 L84 S91 H168T82-G86 PolarHBondContact O-N 3.16Å; T82-G86 VanDerWaalsContact O-N 3.09Å; N83-G86 WeakPolarHBondContact O-CA 3.5Å; N83-G86 PolarHBondContact O-N 3.33Å; N83-G86 VanDerWaalsContact O-N 3.15Å; L84-G86 PolarHBondContact O-N 2.95Å; G86-S91 VanDerWaalsContact C-OG 3.29Å; G86-S91 WeakPolarHBondContact CA-OG 3.44Å; G86-S91 PolarHBondContact O-OG 3.3Å; G86-H168 PolarHBondContact O-CE1 3.19Å; G86-H168 PolarHBondContact O-NE2 2.92Å
87L86.9Confident87.6Confident39 Ų3942.3 Ų42.320%0.20423%0.227CC..THydrogen-bonded Turntrans-83.9-5178.5-61.5175.6000112.2N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 3.47Å; L84-L87 PolarHBondContact O-N 3.08Å; L85-L87 PolarHBondContact O-N 3.37Å; L87-M171 HydrophobicContact CD2-CE 4Å; L87-E203 HydrophobicContact CD1-CG 4.38Å; L87-E203 HydrophobicContact CD2-CB 4.25Å; L87-E203 HydrophobicContact CD2-CG 3.42Å; L87-E203 VanDerWaalsContact CD2-CG 3.42Å; L87-I204 HydrophobicContact CD1-CB 4.21Å; L87-I204 HydrophobicContact CD1-CG1 3.61Å; L87-A207 HydrophobicContact CD1-CB 4.11Å
88L87.5Confident87.4Confident98 Ų9844 Ų4451%0.51324%0.236SC..SBendtrans-67.3143.6175-65.2172.7000110.4L85 H90 S91L85-L88 VanDerWaalsContact O-CB 3.28Å; L85-L88 WeakPolarHBondContact O-CB 3.35Å; L85-L88 VanDerWaalsContact O-CG 3.3Å; L85-L88 WeakPolarHBondContact O-CG 3.26Å; L85-L88 PolarHBondContact O-N 3.31Å; L88-H90 PolarHBondContact O-N 3.29Å; L88-S91 WeakPolarHBondContact O-CB 3.39Å; L88-S91 PolarHBondContact O-N 3.41Å; L88-S91 VanDerWaalsContact O-N 3.15Å; L88-S91 PolarHBondContact O-OG 2.76Å
89P82.6Confident87.2Confident112 Ų11245.7 Ų45.773%0.72725%0.254SS*.THydrogen-bonded Turntrans-58.7135.2179.924.9-33.8000110.6S91P89-S91 PolarHBondContact O-N 3.3Å; P89-S91 VanDerWaalsContact O-N 3.12Å
90H83.1Confident87Confident203 Ų20347.3 Ų47.394%0.9426%0.262SS*.THydrogen-bonded Turntrans57.617.6-178.5-55.7-64.8000115.8L88L88-H90 PolarHBondContact O-N 3.29Å
91S84.9Confident86.9Confident33 Ų3346.1 Ų46.123%0.23125%0.252CS..  trans-81.3139.7171.968.90000111.2L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 3.37Å; L85-S91 VanDerWaalsContact O-OG 3.08Å; G86-S91 VanDerWaalsContact C-OG 3.29Å; G86-S91 WeakPolarHBondContact CA-OG 3.44Å; G86-S91 PolarHBondContact O-OG 3.3Å; L88-S91 WeakPolarHBondContact O-CB 3.39Å; L88-S91 PolarHBondContact O-N 3.41Å; L88-S91 VanDerWaalsContact O-N 3.15Å; L88-S91 PolarHBondContact O-OG 2.76Å; P89-S91 PolarHBondContact O-N 3.3Å; P89-S91 VanDerWaalsContact O-N 3.12Å
92F83.1Confident86.7Confident28 Ų2846.7 Ų46.712%0.12325%0.253CS..  trans-87.2124.6170.1171.8-95.5000109.4S8 A11 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.09Å; A11-F92 HydrophobicContact CB-CZ 4.5Å; P12-F92 HydrophobicContact CG-CB 4.39Å; P12-F92 HydrophobicContact CG-CD1 4.18Å; P12-F92 HydrophobicContact CG-CG 4.11Å; A20-F92 HydrophobicContact CB-CE1 4.3Å; I23-F92 HydrophobicContact CD1-CB 3.99Å; I23-F92 HydrophobicContact CD1-CD1 3.88Å; I23-F92 HydrophobicContact CD1-CG 4.32Å; I23-F92 HydrophobicContact CG2-CD1 4.44Å; F92-P94 HydrophobicContact CE1-CB 4.38Å; F92-P94 WeakPolarHBondContact O-CD 3.45Å; F92-Q97 HydrophobicContact CZ-CG 4.16Å
93T84.7Confident86.6Confident3 Ų349.7 Ų49.72%0.01828%0.279CS..  trans-93.9110.6177.829.30000111T95 T96 I164T93-T95 PolarHBondContact O-N 3.27Å; T93-T95 VanDerWaalsContact O-N 3.16Å; T93-T96 PolarHBondContact O-N 3.29Å; T93-T96 PolarHBondContact O-OG1 3.18Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.5Å; T93-I164 HydrophobicContact CG2-CG2 4.27Å
94P83.3Confident86.3Confident8 Ų851 Ų515%0.05229%0.285CS..G310 helixtrans-63.2-24.3177.125.7-33.3000112.5I24 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.29Å; I24-P94 HydrophobicContact CG1-CB 3.71Å; I24-P94 HydrophobicContact CG1-CG 4.05Å; F92-P94 HydrophobicContact CE1-CB 4.38Å; F92-P94 WeakPolarHBondContact O-CD 3.45Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 2.69Å; P94-Q97 PolarHBondContact O-N 3.36Å; P94-M100 HydrophobicContact CB-CG 4.45Å; P94-M100 HydrophobicContact CB-SD 4.13Å; P94-M100 VanDerWaalsContact O-CB 3.31Å; P94-M100 WeakPolarHBondContact O-CB 3.31Å
95T85.4Confident86.2Confident1 Ų146.5 Ų46.51%0.00626%0.262CS..G310 helixtrans-75.5-7.6179.750.30000114.7T82 N83 T93 Q97 N101 L160 I164T82-T95 WeakPolarHBondContact OG1-CG2 3.34Å; N83-T95 WeakPolarHBondContact OD1-CB 3.26Å; N83-T95 VanDerWaalsContact OD1-CG2 3.31Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.49Å; N83-T95 PolarHBondContact OD1-OG1 2.8Å; T93-T95 PolarHBondContact O-N 3.27Å; T93-T95 VanDerWaalsContact O-N 3.16Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; T95-N101 PolarHBondContact O-ND2 3.22Å; T95-L160 HydrophobicContact CG2-CD2 3.97Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.36Å
96T85.6Confident86.1Confident9 Ų948.6 Ų48.66%0.05527%0.273CS..G310 helixtrans-74.3-26.7169.5560000112.4F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.85Å; F9-T96 HydrophobicContact CE1-CG2 3.74Å; T93-T96 PolarHBondContact O-N 3.29Å; T93-T96 PolarHBondContact O-OG1 3.18Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.5Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 2.69Å; T96-L98 PolarHBondContact O-N 2.91Å; T96-T161 WeakPolarHBondContact O-CG2 3.37Å; T96-I164 HydrophobicContact CG2-CB 4.35Å; T96-I164 HydrophobicContact CG2-CG2 3.66Å; T96-T165 HydrophobicContact CG2-CG2 3.71Å
97Q88.9Confident86.2Confident66 Ų6652.3 Ų52.331%0.30830%0.296SS..SBendtrans-78.2120.4178.5-65.3-63.2-30.600109.7F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 3.16Å; F92-Q97 HydrophobicContact CZ-CG 4.16Å; P94-Q97 PolarHBondContact O-N 3.36Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; Q97-S99 PolarHBondContact O-N 3.41Å; Q97-M100 WeakPolarHBondContact O-CB 3.35Å; Q97-M100 PolarHBondContact O-N 3.41Å; Q97-M100 VanDerWaalsContact O-N 3.09Å; Q97-N101 PolarHBondContact O-N 3.37Å
98L86.6Confident86.3Confident68 Ų6851.2 Ų51.236%0.35629%0.291SS..Hα-helixtrans-58-33.1178.8-177.364000112.1T96 M100 N101 L102 M154 A157 V158 T161T96-L98 PolarHBondContact O-N 2.91Å; L98-M100 VanDerWaalsContact C-N 3.33Å; L98-M100 PolarHBondContact O-N 3.05Å; L98-N101 PolarHBondContact O-N 3.06Å; L98-L102 WeakPolarHBondContact O-CB 2.86Å; L98-L102 PolarHBondContact O-N 3.01Å; L98-M154 HydrophobicContact CD2-CE 4.08Å; L98-A157 HydrophobicContact CD1-CB 4.33Å; L98-V158 HydrophobicContact CD1-CG2 3.9Å; L98-T161 VanDerWaalsContact CA-CG2 3.44Å; L98-T161 HydrophobicContact CB-CG2 4.02Å; L98-T161 HydrophobicContact CD1-CG2 4.01Å
99S87.9Confident86.2Confident85 Ų8548.4 Ų48.459%0.59427%0.273SS*.Hα-helixtrans-56.8-43.9176.2560000112.6Q97 A103Q97-S99 PolarHBondContact O-N 3.41Å; S99-A103 WeakPolarHBondContact O-CB 3.48Å; S99-A103 PolarHBondContact O-N 3.41Å
100M87.5Confident86.4Confident37 Ų3744.3 Ų44.318%0.18225%0.249CC..Hα-helixtrans-64.9-48.6-179.9-174.292.8-174.400111.1I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-CE 3.97Å; I24-M100 HydrophobicContact CD1-SD 3.62Å; I24-M100 HydrophobicContact CG1-CE 3.91Å; I24-M100 HydrophobicContact CG1-SD 4.09Å; I24-M100 HydrophobicContact CG2-CE 3.84Å; F78-M100 HydrophobicContact CE1-CE 4.06Å; F78-M100 HydrophobicContact CZ-CE 3.82Å; P94-M100 HydrophobicContact CB-CG 4.45Å; P94-M100 HydrophobicContact CB-SD 4.13Å; P94-M100 VanDerWaalsContact O-CB 3.31Å; P94-M100 WeakPolarHBondContact O-CB 3.31Å; Q97-M100 WeakPolarHBondContact O-CB 3.35Å; Q97-M100 PolarHBondContact O-N 3.41Å; Q97-M100 VanDerWaalsContact O-N 3.09Å; L98-M100 VanDerWaalsContact C-N 3.33Å; L98-M100 PolarHBondContact O-N 3.05Å; M100-L102 VanDerWaalsContact C-N 3.35Å; M100-L102 PolarHBondContact O-N 3.24Å; M100-A103 PolarHBondContact O-N 3.38Å; M100-M104 HydrophobicContact CE-CE 3.75Å; M100-M104 HydrophobicContact CG-CE 3.46Å; M100-M104 VanDerWaalsContact CG-CE 3.46Å; M100-M104 PolarHBondContact O-N 2.91Å; M100-M104 VanDerWaalsContact O-N 3.11Å; M100-M104 HydrophobicContact SD-CE 4.44Å
101N88Confident86.5Confident3 Ų335.8 Ų35.82%0.01622%0.215CC..Hα-helixtrans-68.8-37.3-177.2-65.9-9.7000111.7T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.22Å; Q97-N101 PolarHBondContact O-N 3.37Å; L98-N101 PolarHBondContact O-N 3.06Å; N101-M104 PolarHBondContact O-N 2.88Å; N101-A105 VanDerWaalsContact O-CB 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.06Å; N101-A105 PolarHBondContact O-N 3.13Å; N101-A157 HydrophobicContact CB-CB 3.92Å; N101-A157 PolarHBondContact ND2-O 2.98Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.17Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.26Å; N101-T161 HydrophobicContact CB-CG2 4.36Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.27Å; N101-T161 PolarHBondContact ND2-N 3.47Å
102L86.1Confident86.4Confident44 Ų4434.2 Ų34.223%0.2321%0.205CC..Hα-helixtrans-69.5-38.4177.4-162.466.8000111.5L98 M100 M104 A105 I106 M154 A157L98-L102 WeakPolarHBondContact O-CB 2.86Å; L98-L102 PolarHBondContact O-N 3.01Å; M100-L102 VanDerWaalsContact C-N 3.35Å; M100-L102 PolarHBondContact O-N 3.24Å; L102-M104 PolarHBondContact O-N 3.38Å; L102-A105 PolarHBondContact O-N 3.08Å; L102-I106 HydrophobicContact CD1-CD1 3.81Å; L102-I106 HydrophobicContact CD1-CG1 3.89Å; L102-I106 HydrophobicContact CD2-CD1 3.98Å; L102-I106 HydrophobicContact CG-CD1 3.51Å; L102-I106 HydrophobicContact CG-CG1 3.97Å; L102-I106 WeakPolarHBondContact O-CG1 3.39Å; L102-I106 PolarHBondContact O-N 3.28Å; L102-M154 HydrophobicContact CD1-SD 3.4Å; L102-M154 WeakPolarHBondContact CD1-SD 3.25Å; L102-M154 HydrophobicContact CD2-SD 4.15Å; L102-M154 HydrophobicContact CG-SD 4.43Å; L102-A157 HydrophobicContact CB-CB 4.42Å; L102-A157 HydrophobicContact CD1-CB 4.02Å
103A88.9Confident86.4Confident68 Ų6833.5 Ų33.556%0.56220%0.203SC*.Hα-helixtrans-63-28.8173.200000112.9S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.48Å; S99-A103 PolarHBondContact O-N 3.41Å; M100-A103 PolarHBondContact O-N 3.38Å; A103-P107 WeakPolarHBondContact O-CD 3.1Å; A103-P107 WeakPolarHBondContact O-CG 3.43Å
104M85.7Confident86.4Confident30 Ų3038.1 Ų38.115%0.14823%0.226CC..Hα-helixtrans-79.9-45.7170.8-70.6-174.7-111.300112.4F78 I79 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.95Å; F78-M104 HydrophobicContact CE1-CE 3.79Å; F78-M104 HydrophobicContact CE1-SD 3.68Å; I79-M104 HydrophobicContact CG1-SD 4.47Å; M100-M104 HydrophobicContact CE-CE 3.75Å; M100-M104 HydrophobicContact CG-CE 3.46Å; M100-M104 VanDerWaalsContact CG-CE 3.46Å; M100-M104 PolarHBondContact O-N 2.91Å; M100-M104 VanDerWaalsContact O-N 3.11Å; M100-M104 HydrophobicContact SD-CE 4.44Å; N101-M104 PolarHBondContact O-N 2.88Å; L102-M104 PolarHBondContact O-N 3.38Å; M104-L108 VanDerWaalsContact O-CD1 3.26Å; M104-L108 WeakPolarHBondContact O-CD1 3.42Å; M104-L108 VanDerWaalsContact O-CG 3.31Å; M104-L108 WeakPolarHBondContact O-CG 3.18Å
105A86.9Confident86.3Confident2 Ų240 Ų402%0.01724%0.235CC..Hα-helixtrans-70.5-44.6-171.300000113.4N101 L102 L108 W109 L156 A157 F214N101-A105 VanDerWaalsContact O-CB 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.06Å; N101-A105 PolarHBondContact O-N 3.13Å; L102-A105 PolarHBondContact O-N 3.08Å; A105-L108 PolarHBondContact O-N 3.43Å; A105-W109 VanDerWaalsContact O-CB 3.32Å; A105-W109 WeakPolarHBondContact O-CB 3.23Å; A105-W109 PolarHBondContact O-N 3.49Å; A105-L156 HydrophobicContact CB-CD2 4.34Å; A105-A157 HydrophobicContact CB-CB 4.26Å; A105-F214 HydrophobicContact CB-CE2 4.32Å; A105-F214 HydrophobicContact CB-CZ 4.18Å
106I88.1Confident85.9Confident82 Ų8240 Ų4042%0.42124%0.235SC..Hα-helixtrans-62.3-50.2-175.4-66.2176.8000111.8L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.81Å; L102-I106 HydrophobicContact CD1-CG1 3.89Å; L102-I106 HydrophobicContact CD2-CD1 3.98Å; L102-I106 HydrophobicContact CG-CD1 3.51Å; L102-I106 HydrophobicContact CG-CG1 3.97Å; L102-I106 WeakPolarHBondContact O-CG1 3.39Å; L102-I106 PolarHBondContact O-N 3.28Å; I106-L108 PolarHBondContact O-N 3.28Å; I106-W109 PolarHBondContact O-N 2.89Å; I106-A110 WeakPolarHBondContact O-CB 3.31Å; I106-A110 PolarHBondContact O-N 3.35Å
107P89.6Confident85.6Confident79 Ų7943.3 Ų43.351%0.51325%0.249SC..Hα-helixtrans-64.8-37.7-178.5-24.236.5000113.2A103 G111A103-P107 WeakPolarHBondContact O-CD 3.1Å; A103-P107 WeakPolarHBondContact O-CG 3.43Å; P107-G111 PolarHBondContact O-N 3.38Å
108L87.8Confident85Confident17 Ų1750.5 Ų50.59%0.08927%0.273CS..Hα-helixtrans-65.4-46.8178.2-72.4168.9000111.7M71 L75 M104 A105 I106 G111 X112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.37Å; M71-L108 HydrophobicContact CG-CD2 4.12Å; M71-L108 HydrophobicContact SD-CD2 3.52Å; M71-L108 VanDerWaalsContact SD-CD2 3.52Å; L75-L108 HydrophobicContact CD1-CD1 3.55Å; L75-L108 HydrophobicContact CD2-CD1 3.82Å; L75-L108 HydrophobicContact CG-CD1 4.33Å; M104-L108 VanDerWaalsContact O-CD1 3.26Å; M104-L108 WeakPolarHBondContact O-CD1 3.42Å; M104-L108 VanDerWaalsContact O-CG 3.31Å; M104-L108 WeakPolarHBondContact O-CG 3.18Å; A105-L108 PolarHBondContact O-N 3.43Å; I106-L108 PolarHBondContact O-N 3.28Å; L108-G111 PolarHBondContact O-N 3.35Å; L108-A112 PolarHBondContact O-N 2.97Å; L108-A112 VanDerWaalsContact O-N 3.08Å; L108-F214 HydrophobicContact CD1-CE1 4.14Å; L108-V218 HydrophobicContact CB-CG1 4.37Å
109W86.3Confident84.2Confident39 Ų3949.6 Ų49.615%0.14827%0.272CS..Hα-helixtrans-63.7-47.6176.1172.489.6000111.3A105 I106 G111 X112 V113 L149 L150 P153A105-W109 VanDerWaalsContact O-CB 3.32Å; A105-W109 WeakPolarHBondContact O-CB 3.23Å; A105-W109 PolarHBondContact O-N 3.49Å; I106-W109 PolarHBondContact O-N 2.89Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.31Å; W109-A112 PolarHBondContact O-N 3.43Å; W109-A112 VanDerWaalsContact O-N 3.15Å; W109-V113 HydrophobicContact CD2-CG2 4.09Å; W109-V113 HydrophobicContact CH2-CG2 4.4Å; W109-V113 HydrophobicContact CZ2-CG2 3.92Å; W109-V113 WeakPolarHBondContact O-CG2 3.29Å; W109-V113 PolarHBondContact O-N 3.21Å; W109-L149 HydrophobicContact CH2-CD2 4.12Å; W109-L149 HydrophobicContact CZ2-CD2 3.46Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.46Å; W109-L149 HydrophobicContact CZ2-CG 3.87Å; W109-L149 VanDerWaalsContact CZ2-O 3.27Å; W109-L149 WeakPolarHBondContact CZ2-O 3.17Å; W109-L149 PolarHBondContact NE1-O 3.31Å; W109-L150 HydrophobicContact CH2-CD2 3.74Å; W109-L150 HydrophobicContact CZ2-CD2 4.27Å; W109-P153 HydrophobicContact CB-CB 3.88Å; W109-P153 HydrophobicContact CB-CG 4.36Å; W109-P153 HydrophobicContact CD2-CB 4.3Å; W109-P153 HydrophobicContact CD2-CG 3.79Å; W109-P153 HydrophobicContact CE3-CG 4.29Å; W109-P153 HydrophobicContact CG-CB 3.84Å; W109-P153 HydrophobicContact CG-CG 3.79Å
110A85.4Confident83.4Confident26 Ų2649.8 Ų49.822%0.21526%0.263CS..Hα-helixtrans-60.4-41.217900000111I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.31Å; I106-A110 PolarHBondContact O-N 3.35Å; A110-V113 PolarHBondContact O-N 2.84Å; A110-I114 VanDerWaalsContact O-CB 3.31Å; A110-I114 WeakPolarHBondContact O-CB 3.45Å; A110-I114 WeakPolarHBondContact O-CD1 3.43Å; A110-I114 WeakPolarHBondContact O-CG1 3.4Å; A110-I114 PolarHBondContact O-N 3.23Å
111G85.7Confident82.3Confident23 Ų2353.2 Ų53.224%0.23728%0.281CS..Hα-helixtrans-60.6-44.3175.200000113.1P107 L108 W109 M115P107-G111 PolarHBondContact O-N 3.38Å; L108-G111 PolarHBondContact O-N 3.35Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.41Å; G111-M115 PolarHBondContact O-N 2.69Å
112X83.6Confident81.2Confident1 Ų162.1 Ų62.11%0.00832%0.319CS..Hα-helixtrans-63.5-45.7177.100000111.8L108 W109 M115 G116L108-A112 PolarHBondContact O-N 2.97Å; L108-A112 VanDerWaalsContact O-N 3.08Å; W109-A112 PolarHBondContact O-N 3.43Å; W109-A112 VanDerWaalsContact O-N 3.15Å; A112-M115 PolarHBondContact O-N 3.38Å; A112-G116 PolarHBondContact O-N 3.41Å
113V83.1Confident80.3Confident13 Ų1364.9 Ų64.98%0.07933%0.334CS..Hα-helixtrans-64.2-46.5178.5172.60000111.5W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.09Å; W109-V113 HydrophobicContact CH2-CG2 4.4Å; W109-V113 HydrophobicContact CZ2-CG2 3.92Å; W109-V113 WeakPolarHBondContact O-CG2 3.29Å; W109-V113 PolarHBondContact O-N 3.21Å; A110-V113 PolarHBondContact O-N 2.84Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.14Å; V113-G116 PolarHBondContact O-N 3.49Å; V113-G116 VanDerWaalsContact O-N 3.14Å; V113-F117 HydrophobicContact CG1-CD2 3.63Å; V113-F117 HydrophobicContact CG1-CE2 3.36Å; V113-F117 WeakPolarHBondContact O-CD2 3.23Å; V113-F117 PolarHBondContact O-N 3.07Å
114I84.4Confident79.1Confident99 Ų9962.5 Ų62.551%0.50831%0.314SS..Hα-helixtrans-61.1-39.1177-68.7164000110.7A110 G116 F117 R118A110-I114 VanDerWaalsContact O-CB 3.31Å; A110-I114 WeakPolarHBondContact O-CB 3.45Å; A110-I114 WeakPolarHBondContact O-CD1 3.43Å; A110-I114 WeakPolarHBondContact O-CG1 3.4Å; A110-I114 PolarHBondContact O-N 3.23Å; I114-G116 VanDerWaalsContact C-N 3.35Å; I114-F117 PolarHBondContact O-N 3.19Å; I114-R118 HydrophobicContact CG2-CG 4.43Å; I114-R118 WeakPolarHBondContact O-CB 3.46Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.44Å; I114-R118 PolarHBondContact O-N 2.83Å
115M81.6Confident78.1Confident48 Ų4865.6 Ų65.624%0.23633%0.331CS..Hα-helixtrans-65.7-37.5176.2-171.5168.5-178.300112.3W68 G111 X112 V113 R118 S119 L222 T226W68-M115 HydrophobicContact CZ2-SD 3.96Å; W68-M115 PolarHBondContact NE1-SD 3.17Å; G111-M115 WeakPolarHBondContact O-CB 3.41Å; G111-M115 PolarHBondContact O-N 2.69Å; A112-M115 PolarHBondContact O-N 3.38Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.14Å; M115-R118 PolarHBondContact O-N 2.96Å; M115-S119 WeakPolarHBondContact O-CB 3.32Å; M115-S119 PolarHBondContact O-N 2.92Å; M115-S119 PolarHBondContact O-OG 3.49Å; M115-L222 HydrophobicContact SD-CD1 4.19Å; M115-T226 HydrophobicContact CE-CG2 4.49Å
116G76.4Confident76.9Confident1 Ų168 Ų681%0.0135%0.351CS..Hα-helixtrans-62.2-50.317300000112.8X112 V113 I114 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 3.41Å; V113-G116 PolarHBondContact O-N 3.49Å; V113-G116 VanDerWaalsContact O-N 3.14Å; I114-G116 VanDerWaalsContact C-N 3.35Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 3.29Å; G116-S119 PolarHBondContact O-N 2.86Å; G116-S119 PolarHBondContact O-OG 2.91Å; G116-K120 CarbonylContact O-C 3.58Å; G116-K120 PolarHBondContact O-N 3.45Å; G116-N225 WeakPolarHBondContact CA-O 3.38Å
117F78.6Confident75.8Confident79 Ų7969.5 Ų69.535%0.34636%0.356SS..Hα-helixtrans-60.3-40175.6-77.1-65.2000112.2V113 I114 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.63Å; V113-F117 HydrophobicContact CG1-CE2 3.36Å; V113-F117 WeakPolarHBondContact O-CD2 3.23Å; V113-F117 PolarHBondContact O-N 3.07Å; I114-F117 PolarHBondContact O-N 3.19Å; F117-I121 WeakPolarHBondContact O-CG1 3.4Å; F117-A124 HydrophobicContact CD1-CB 4.29Å; F117-A124 HydrophobicContact CE1-CB 4.35Å; F117-L125 HydrophobicContact CD1-CD1 4.18Å; F117-L125 HydrophobicContact CE1-CD1 3.78Å; F117-F128 HydrophobicContact CZ-CE2 4.48Å
118R77.5Confident74.5Confident216 Ų21667.5 Ų67.582%0.81534%0.339SS*.Hα-helixtrans-70.1-34.8178.9-74.218069.7-166.72.2113.6I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.43Å; I114-R118 WeakPolarHBondContact O-CB 3.46Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.44Å; I114-R118 PolarHBondContact O-N 2.83Å; M115-R118 PolarHBondContact O-N 2.96Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 3.29Å
119S69.1Low73.4Confident49 Ų4969.7 Ų69.734%0.34335%0.351SS..Hα-helixtrans-89.3-38.6-17369.90000113.4M115 G116M115-S119 WeakPolarHBondContact O-CB 3.32Å; M115-S119 PolarHBondContact O-N 2.92Å; M115-S119 PolarHBondContact O-OG 3.49Å; G116-S119 PolarHBondContact O-N 2.86Å; G116-S119 PolarHBondContact O-OG 2.91Å
120K70.1Confident72.2Confident90 Ų9071.1 Ų71.139%0.39137%0.365SS..  trans-146.970.7-175.5-67.3175.8-178.9162.50111.6G116 K122 N123 A124 T226G116-K120 CarbonylContact O-C 3.58Å; G116-K120 PolarHBondContact O-N 3.45Å; K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 3.26Å; K120-N123 HydrophobicContact CB-CB 3.95Å; K120-N123 HydrophobicContact CD-CB 4.3Å; K120-N123 PolarHBondContact O-N 3.22Å; K120-N123 VanDerWaalsContact O-N 3.13Å; K120-A124 WeakPolarHBondContact O-CB 3.37Å; K120-A124 PolarHBondContact O-N 3.02Å; K120-T226 WeakPolarHBondContact CE-O 3.37Å; K120-T226 PolarHBondContact NZ-O 2.81Å; K120-T226 PolarHBondContact NZ-OXT 3.46Å
121I66.1Low71Confident109 Ų10979.6 Ų79.656%0.55940%0.4SS*.Hα-helixtrans-47.9-49.1177.1-60.1171.3000111.7F117 N123 L125F117-I121 WeakPolarHBondContact O-CG1 3.4Å; I121-N123 PolarHBondContact O-N 3.13Å; I121-L125 HydrophobicContact CG2-CD1 3.85Å; I121-L125 WeakPolarHBondContact O-CD1 3.28Å; I121-L125 PolarHBondContact O-N 2.86Å
122K63.8Low69.9Low189 Ų18982.3 Ų82.382%0.82243%0.428SS*.Hα-helixtrans-65.6-38.1-176.1-64.6-175.6179.1-178.10113.4K120 A126K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 3.26Å; K122-A126 VanDerWaalsContact O-CB 3.28Å; K122-A126 WeakPolarHBondContact O-CB 3.29Å; K122-A126 PolarHBondContact O-N 3.26Å
123N67.6Low69.3Low103 Ų10383.9 Ų83.955%0.55144%0.438SS*.Hα-helixtrans-79-36.2-177.7-144.859.7000111.3K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.95Å; K120-N123 HydrophobicContact CD-CB 4.3Å; K120-N123 PolarHBondContact O-N 3.22Å; K120-N123 VanDerWaalsContact O-N 3.13Å; I121-N123 PolarHBondContact O-N 3.13Å; N123-A126 PolarHBondContact O-N 3.36Å; N123-H127 PolarHBondContact O-N 3.24Å; N123-H127 VanDerWaalsContact O-N 3.11Å
124A64.4Low68.9Low18 Ų1886.9 Ų86.915%0.14946%0.458CS..Hα-helixtrans-63-42.9172.900000111.6F117 K120 H127F117-A124 HydrophobicContact CD1-CB 4.29Å; F117-A124 HydrophobicContact CE1-CB 4.35Å; K120-A124 WeakPolarHBondContact O-CB 3.37Å; K120-A124 PolarHBondContact O-N 3.02Å; A124-H127 PolarHBondContact O-N 3.21Å
125L63.6Low68.5Low94 Ų9487.8 Ų87.849%0.49247%0.468SS..Hα-helixtrans-70.2-32.3174.7-88.180.4000112.7F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.18Å; F117-L125 HydrophobicContact CE1-CD1 3.78Å; I121-L125 HydrophobicContact CG2-CD1 3.85Å; I121-L125 WeakPolarHBondContact O-CD1 3.28Å; I121-L125 PolarHBondContact O-N 2.86Å; L125-H127 VanDerWaalsContact C-N 3.29Å; L125-H127 PolarHBondContact O-N 3.34Å; L125-F128 PolarHBondContact O-N 2.97Å
126A62.1Low68.5Low53 Ų5390.6 Ų90.644%0.43849%0.489SS..Hα-helixtrans-67.7-28.3176.700000112.6K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.28Å; K122-A126 WeakPolarHBondContact O-CB 3.29Å; K122-A126 PolarHBondContact O-N 3.26Å; N123-A126 PolarHBondContact O-N 3.36Å; A126-F128 PolarHBondContact O-N 2.74Å; A126-L129 CarbonylContact O-C 3.55Å; A126-L129 PolarHBondContact O-N 2.92Å
127H65.4Low68.7Low114 Ų11495.6 Ų95.653%0.52852%0.516SS..THydrogen-bonded Turntrans-65.9-19.9176.5-157.9-64.1000113N123 A124 L125 L129N123-H127 PolarHBondContact O-N 3.24Å; N123-H127 VanDerWaalsContact O-N 3.11Å; A124-H127 PolarHBondContact O-N 3.21Å; L125-H127 VanDerWaalsContact C-N 3.29Å; L125-H127 PolarHBondContact O-N 3.34Å; H127-L129 PolarHBondContact O-N 2.95Å
128F62.5Low68.7Low37 Ų3794.2 Ų94.216%0.16251%0.511CS..THydrogen-bonded Turntrans-69.7-16.4173.1-68.1-57.4000113.3F117 L125 A126 L141 E145 T146F117-F128 HydrophobicContact CZ-CE2 4.48Å; L125-F128 PolarHBondContact O-N 2.97Å; A126-F128 PolarHBondContact O-N 2.74Å; F128-L141 WeakPolarHBondContact O-CD2 3.37Å; F128-E145 HydrophobicContact CD1-CB 4.24Å; F128-E145 HydrophobicContact CD1-CG 3.85Å; F128-T146 HydrophobicContact CD1-CG2 4.15Å; F128-T146 HydrophobicContact CE1-CG2 3.9Å; F128-T146 HydrophobicContact CZ-CG2 4.39Å
129L63.5Low68.8Low63 Ų6388 Ų8833%0.3350%0.499SS..SBendtrans-123.1113.5176.7-105.573.2000111.1A126 H127 Q131 I138 V142A126-L129 CarbonylContact O-C 3.55Å; A126-L129 PolarHBondContact O-N 2.92Å; H127-L129 PolarHBondContact O-N 2.95Å; L129-Q131 PolarHBondContact O-N 3.06Å; L129-I138 HydrophobicContact CD1-CG2 4.02Å; L129-I138 HydrophobicContact CD2-CD1 4.23Å; L129-I138 HydrophobicContact CD2-CG1 4.3Å; L129-I138 HydrophobicContact CD2-CG2 3.86Å; L129-I138 HydrophobicContact CG-CG2 4.29Å; L129-V142 HydrophobicContact CD1-CG2 3.27Å
130P60.7Low69.5Low69 Ų6991.1 Ų91.145%0.44851%0.509SS..  trans-62.4137.9165.419.5-20.6000109.7G132 T133 L141P130-G132 PolarHBondContact O-N 2.75Å; P130-T133 HydrophobicContact CB-CG2 4.45Å; P130-T133 HydrophobicContact CG-CG2 3.7Å; P130-T133 WeakPolarHBondContact O-CG2 2.98Å; P130-L141 HydrophobicContact CG-CD1 3.88Å; P130-L141 HydrophobicContact CG-CD2 4.06Å
131Q61.3Low70.2Confident204 Ų20489.1 Ų89.195%0.95350%0.503SS*.THydrogen-bonded Turntrans-65.1128.8-179.1-64-167.7-5.100110.3L129L129-Q131 PolarHBondContact O-N 3.06Å
132G62.6Low70.9Confident80 Ų8086.2 Ų86.283%0.82549%0.49SS*.THydrogen-bonded Turntrans99.611.8176.500000116.1P130P130-G132 PolarHBondContact O-N 2.75Å
133T72Confident72Confident34 Ų3481.5 Ų81.521%0.20947%0.473CS..  trans-71.9134.9175.453.80000112.2P130 L141P130-T133 HydrophobicContact CB-CG2 4.45Å; P130-T133 HydrophobicContact CG-CG2 3.7Å; P130-T133 WeakPolarHBondContact O-CG2 2.98Å; T133-L141 HydrophobicContact CG2-CD1 3.91Å
134P74.3Confident72.8Confident76 Ų7681.1 Ų81.149%0.49447%0.47SS..  trans-65.3140.4176.129.2-35.4000110.9P136 L137P134-P136 VanDerWaalsContact C-N 3.32Å; P134-P136 VanDerWaalsContact O-CD 3.29Å; P134-P136 WeakPolarHBondContact O-CD 3.33Å; P134-P136 VanDerWaalsContact O-N 3.08Å; P134-L137 HydrophobicContact CG-CB 4.45Å; P134-L137 HydrophobicContact CG-CD1 3.81Å; P134-L137 HydrophobicContact CG-CG 4.34Å; P134-L137 PolarHBondContact O-N 2.89Å; P134-L137 VanDerWaalsContact O-N 3.09Å
135T75.7Confident73.8Confident118 Ų11883.1 Ų83.172%0.72448%0.476SS*.THydrogen-bonded Turntrans-50.4-30.7-172.348.10000117.1I138T135-I138 HydrophobicContact CG2-CD1 4.44Å
136P82.3Confident74.6Confident106 Ų10681 Ų8169%0.68847%0.467SS*.THydrogen-bonded Turntrans-76-27.1179.7-10.626.5000113.8P134 P139P134-P136 VanDerWaalsContact C-N 3.32Å; P134-P136 VanDerWaalsContact O-CD 3.29Å; P134-P136 WeakPolarHBondContact O-CD 3.33Å; P134-P136 VanDerWaalsContact O-N 3.08Å; P136-P139 WeakPolarHBondContact O-CD 3.49Å
137L80.3Confident75.7Confident107 Ų10782.5 Ų82.556%0.5647%0.467SS*.THydrogen-bonded Turntrans-87.7-10.4-174.2-69.5174.8000113.2P134 M140 L141P134-L137 HydrophobicContact CG-CB 4.45Å; P134-L137 HydrophobicContact CG-CD1 3.81Å; P134-L137 HydrophobicContact CG-CG 4.34Å; P134-L137 PolarHBondContact O-N 2.89Å; P134-L137 VanDerWaalsContact O-N 3.09Å; L137-M140 PolarHBondContact O-N 3.44Å; L137-L141 PolarHBondContact O-N 3.01Å; L137-L141 VanDerWaalsContact O-N 3.13Å
138I79.1Confident76.6Confident49 Ų4979.5 Ų79.525%0.25146%0.458SS..Hα-helixtrans-55.1-49.6-176.7-66.6176.9000112.6L129 T135 M140 L141 V142L129-I138 HydrophobicContact CD1-CG2 4.02Å; L129-I138 HydrophobicContact CD2-CD1 4.23Å; L129-I138 HydrophobicContact CD2-CG1 4.3Å; L129-I138 HydrophobicContact CD2-CG2 3.86Å; L129-I138 HydrophobicContact CG-CG2 4.29Å; T135-I138 HydrophobicContact CG2-CD1 4.44Å; I138-M140 VanDerWaalsContact C-N 3.32Å; I138-M140 PolarHBondContact O-N 3.03Å; I138-L141 PolarHBondContact O-N 3.02Å; I138-V142 WeakPolarHBondContact O-CG2 3.31Å; I138-V142 PolarHBondContact O-N 2.86Å
139P79.4Confident77.5Confident86 Ų8679.9 Ų79.956%0.55846%0.462SS*.Hα-helixtrans-64.6-36.9-175.3-20.833.6000112.8P136 I143P136-P139 WeakPolarHBondContact O-CD 3.49Å; P139-I143 WeakPolarHBondContact O-CG1 3.44Å; P139-I143 PolarHBondContact O-N 2.98Å
140M83.3Confident78.4Confident115 Ų11582 Ų8257%0.56747%0.473SS*.Hα-helixtrans-69.6-40.9179.1-173.763.7-174.600111.5L137 I138 I143 I144L137-M140 PolarHBondContact O-N 3.44Å; I138-M140 VanDerWaalsContact C-N 3.32Å; I138-M140 PolarHBondContact O-N 3.03Å; M140-I143 PolarHBondContact O-N 3.08Å; M140-I144 HydrophobicContact CE-CD1 4.01Å; M140-I144 HydrophobicContact CE-CG1 4.23Å; M140-I144 HydrophobicContact CG-CD1 4.12Å; M140-I144 WeakPolarHBondContact O-CG1 3.11Å; M140-I144 PolarHBondContact O-N 3.49Å; M140-I144 VanDerWaalsContact O-N 3.11Å
141L84.6Confident79.6Confident48 Ų4883.4 Ų83.425%0.25148%0.476SS..Hα-helixtrans-66.1-40.1-178.5-167.8149.8000111.9F128 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 3.37Å; P130-L141 HydrophobicContact CG-CD1 3.88Å; P130-L141 HydrophobicContact CG-CD2 4.06Å; T133-L141 HydrophobicContact CG2-CD1 3.91Å; L137-L141 PolarHBondContact O-N 3.01Å; L137-L141 VanDerWaalsContact O-N 3.13Å; I138-L141 PolarHBondContact O-N 3.02Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 3.46Å; L141-I144 PolarHBondContact O-N 3.37Å; L141-E145 WeakPolarHBondContact O-CB 3.22Å; L141-E145 PolarHBondContact O-N 2.97Å
142V81.6Confident80.6Confident47 Ų4777 Ų7729%0.28545%0.446SS..Hα-helixtrans-59.7-41.5175.3175.20000111.4L129 I138 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.27Å; I138-V142 WeakPolarHBondContact O-CG2 3.31Å; I138-V142 PolarHBondContact O-N 2.86Å; V142-E145 PolarHBondContact O-N 3.3Å; V142-T146 HydrophobicContact CG1-CG2 4.34Å; V142-T146 WeakPolarHBondContact O-CB 3.21Å; V142-T146 VanDerWaalsContact O-CG2 3.25Å; V142-T146 WeakPolarHBondContact O-CG2 3.4Å; V142-T146 PolarHBondContact O-N 3.42Å; V142-T146 PolarHBondContact O-OG1 3.07Å
143I85.1Confident81.4Confident91 Ų9173.6 Ų73.647%0.46741%0.41SS..Hα-helixtrans-63.5-44177.4-65.8167.1000110.6P139 M140 L141 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.44Å; P139-I143 PolarHBondContact O-N 2.98Å; M140-I143 PolarHBondContact O-N 3.08Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 3.46Å; I143-T146 WeakPolarHBondContact CA-OG1 3.1Å; I143-T146 PolarHBondContact O-OG1 2.96Å; I143-I147 HydrophobicContact CG2-CD1 3.78Å; I143-I147 WeakPolarHBondContact O-CD1 3.3Å; I143-I147 VanDerWaalsContact O-CG1 3.23Å; I143-I147 WeakPolarHBondContact O-CG1 3.47Å; I143-I147 PolarHBondContact O-N 2.98Å
144I86.1Confident82Confident94 Ų9475.7 Ų75.748%0.48242%0.418SS..Hα-helixtrans-65.2-43.7179.2-64.3165.9000111M140 L141 I147 S148M140-I144 HydrophobicContact CE-CD1 4.01Å; M140-I144 HydrophobicContact CE-CG1 4.23Å; M140-I144 HydrophobicContact CG-CD1 4.12Å; M140-I144 WeakPolarHBondContact O-CG1 3.11Å; M140-I144 PolarHBondContact O-N 3.49Å; M140-I144 VanDerWaalsContact O-N 3.11Å; L141-I144 PolarHBondContact O-N 3.37Å; I144-I147 PolarHBondContact O-N 3.45Å; I144-S148 WeakPolarHBondContact O-CB 3.32Å; I144-S148 PolarHBondContact O-N 3.37Å
145E83.8Confident82.5Confident60 Ų6074 Ų7428%0.2841%0.41SS..Hα-helixtrans-67.5-39.5-178.6-16761.3-159.500111.8F128 L141 V142 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.24Å; F128-E145 HydrophobicContact CD1-CG 3.85Å; L141-E145 WeakPolarHBondContact O-CB 3.22Å; L141-E145 PolarHBondContact O-N 2.97Å; V142-E145 PolarHBondContact O-N 3.3Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 2.68Å; E145-S148 WeakPolarHBondContact O-CB 3.28Å; E145-S148 PolarHBondContact O-N 2.96Å; E145-L149 WeakPolarHBondContact O-CB 3.49Å; E145-L149 PolarHBondContact O-N 2.9Å
146T81Confident82.7Confident51 Ų5168.6 Ų68.631%0.31338%0.377SS..Hα-helixtrans-63.5-39173.952.40000112.3F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.15Å; F128-T146 HydrophobicContact CE1-CG2 3.9Å; F128-T146 HydrophobicContact CZ-CG2 4.39Å; V142-T146 HydrophobicContact CG1-CG2 4.34Å; V142-T146 WeakPolarHBondContact O-CB 3.21Å; V142-T146 VanDerWaalsContact O-CG2 3.25Å; V142-T146 WeakPolarHBondContact O-CG2 3.4Å; V142-T146 PolarHBondContact O-N 3.42Å; V142-T146 PolarHBondContact O-OG1 3.07Å; I143-T146 WeakPolarHBondContact CA-OG1 3.1Å; I143-T146 PolarHBondContact O-OG1 2.96Å; T146-L150 WeakPolarHBondContact O-CG 3.35Å; T146-L150 PolarHBondContact O-N 3.28Å
147I85.6Confident82.7Confident84 Ų8463.6 Ų63.643%0.43134%0.344SS..Hα-helixtrans-67-43.6173.7-68.1166.8000110.9I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.78Å; I143-I147 WeakPolarHBondContact O-CD1 3.3Å; I143-I147 VanDerWaalsContact O-CG1 3.23Å; I143-I147 WeakPolarHBondContact O-CG1 3.47Å; I143-I147 PolarHBondContact O-N 2.98Å; I144-I147 PolarHBondContact O-N 3.45Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 2.68Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.14Å; I147-L150 PolarHBondContact O-N 3.12Å; I147-L150 VanDerWaalsContact O-N 3.15Å; I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.13Å; I147-I151 WeakPolarHBondContact O-CG1 3.49Å; I147-I151 PolarHBondContact O-N 3.45Å
148S83.6Confident83Confident50 Ų5061.4 Ų61.435%0.3534%0.335SS..Hα-helixtrans-57.5-46.1178.2-176.90000111.8I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.32Å; I144-S148 PolarHBondContact O-N 3.37Å; E145-S148 WeakPolarHBondContact O-CB 3.28Å; E145-S148 PolarHBondContact O-N 2.96Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.45Å; S148-I151 PolarHBondContact O-N 3.44Å; S148-Q152 PolarHBondContact O-N 3.45Å; S148-Q152 VanDerWaalsContact O-N 3.16Å
149L82.6Confident83.3Confident45 Ų4563.8 Ų63.824%0.23634%0.341CS..Hα-helixtrans-60.1-37177.2-173.7119.8000112.2W109 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.12Å; W109-L149 HydrophobicContact CZ2-CD2 3.46Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.46Å; W109-L149 HydrophobicContact CZ2-CG 3.87Å; W109-L149 VanDerWaalsContact CZ2-O 3.27Å; W109-L149 WeakPolarHBondContact CZ2-O 3.17Å; W109-L149 PolarHBondContact NE1-O 3.31Å; E145-L149 WeakPolarHBondContact O-CB 3.49Å; E145-L149 PolarHBondContact O-N 2.9Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.14Å; L149-P153 WeakPolarHBondContact O-CD 3.39Å
150L82.6Confident83.4Confident107 Ų10759.8 Ų59.856%0.5632%0.315SS*.Hα-helixtrans-77.5-34.4177.5-71.2173.4000113.7W109 T146 I147 S148 P153W109-L150 HydrophobicContact CH2-CD2 3.74Å; W109-L150 HydrophobicContact CZ2-CD2 4.27Å; T146-L150 WeakPolarHBondContact O-CG 3.35Å; T146-L150 PolarHBondContact O-N 3.28Å; I147-L150 PolarHBondContact O-N 3.12Å; I147-L150 VanDerWaalsContact O-N 3.15Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.45Å; L150-P153 WeakPolarHBondContact O-CD 3.48Å; L150-P153 WeakPolarHBondContact O-CG 3.2Å
151I85Confident83.5Confident99 Ų9955 Ų5551%0.50829%0.292SS..Hα-helixtrans-72.8-31-179.2-70173.7000111.3I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.13Å; I147-I151 WeakPolarHBondContact O-CG1 3.49Å; I147-I151 PolarHBondContact O-N 3.45Å; S148-I151 PolarHBondContact O-N 3.44Å; I151-M154 WeakPolarHBondContact O-CB 3.11Å; I151-M154 PolarHBondContact O-N 3.29Å; I151-M154 VanDerWaalsContact O-N 3.13Å; I151-A155 HydrophobicContact CG2-CB 4.4Å; I151-A155 WeakPolarHBondContact O-CB 3.45Å; I151-A155 PolarHBondContact O-N 3.17Å
152Q82.9Confident83.5Confident69 Ų6954.6 Ų54.632%0.32230%0.296SS..Hα-helixtrans-50.4-53.9-178-106175.7-1400116.2S148 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 3.45Å; S148-Q152 VanDerWaalsContact O-N 3.16Å; Q152-M154 VanDerWaalsContact C-N 3.26Å; Q152-M154 PolarHBondContact O-N 3.46Å; Q152-A155 PolarHBondContact O-N 3.17Å; Q152-L156 WeakPolarHBondContact O-CB 3.08Å; Q152-L156 PolarHBondContact O-N 2.99Å; Q152-Y221 HydrophobicContact CG-CE1 4.31Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.44Å; Q152-Y221 PolarHBondContact NE2-OH 3.46Å; Q152-Y221 PolarHBondContact OE1-OH 3.19Å
153P79.1Confident83.8Confident10 Ų1055.2 Ų55.27%0.06530%0.298CS..Hα-helixtrans-63.9-34178.923.9-34.6000112.1W109 L149 L150 A157W109-P153 HydrophobicContact CB-CB 3.88Å; W109-P153 HydrophobicContact CB-CG 4.36Å; W109-P153 HydrophobicContact CD2-CB 4.3Å; W109-P153 HydrophobicContact CD2-CG 3.79Å; W109-P153 HydrophobicContact CE3-CG 4.29Å; W109-P153 HydrophobicContact CG-CB 3.84Å; W109-P153 HydrophobicContact CG-CG 3.79Å; L149-P153 WeakPolarHBondContact O-CD 3.39Å; L150-P153 WeakPolarHBondContact O-CD 3.48Å; L150-P153 WeakPolarHBondContact O-CG 3.2Å; P153-A157 PolarHBondContact O-N 3.35Å
154M83.6Confident83.8Confident78 Ų7851.1 Ų51.138%0.38428%0.277SS..Hα-helixtrans-66.9-46.5175.3-167.669.5-168.700111L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD2-CE 4.08Å; L102-M154 HydrophobicContact CD1-SD 3.4Å; L102-M154 WeakPolarHBondContact CD1-SD 3.25Å; L102-M154 HydrophobicContact CD2-SD 4.15Å; L102-M154 HydrophobicContact CG-SD 4.43Å; I151-M154 WeakPolarHBondContact O-CB 3.11Å; I151-M154 PolarHBondContact O-N 3.29Å; I151-M154 VanDerWaalsContact O-N 3.13Å; Q152-M154 VanDerWaalsContact C-N 3.26Å; Q152-M154 PolarHBondContact O-N 3.46Å; M154-L156 VanDerWaalsContact C-N 3.29Å; M154-L156 PolarHBondContact O-N 2.85Å; M154-A157 PolarHBondContact O-N 2.95Å; M154-V158 HydrophobicContact CE-CG2 4.11Å; M154-V158 HydrophobicContact CG-CG2 4.48Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.07Å; M154-V158 PolarHBondContact O-N 3.48Å
155A84.8Confident83.9Confident40 Ų4048.3 Ų48.333%0.33126%0.264SS..Hα-helixtrans-61.8-37.6178.900000112I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.4Å; I151-A155 WeakPolarHBondContact O-CB 3.45Å; I151-A155 PolarHBondContact O-N 3.17Å; Q152-A155 PolarHBondContact O-N 3.17Å; A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.49Å; A155-R159 PolarHBondContact O-N 3.41Å
156L79.5Confident84.1Confident5 Ų548 Ų483%0.02627%0.272CS..Hα-helixtrans-61.6-48.5174.8-165.187.3000111.8A105 Q152 M154 R159 L160 F214 L217 V218A105-L156 HydrophobicContact CB-CD2 4.34Å; Q152-L156 WeakPolarHBondContact O-CB 3.08Å; Q152-L156 PolarHBondContact O-N 2.99Å; M154-L156 VanDerWaalsContact C-N 3.29Å; M154-L156 PolarHBondContact O-N 2.85Å; L156-R159 PolarHBondContact O-N 2.92Å; L156-L160 PolarHBondContact O-N 2.91Å; L156-F214 HydrophobicContact CD1-CD2 4.19Å; L156-F214 HydrophobicContact CD1-CG 4.48Å; L156-F214 HydrophobicContact CD2-CD1 4.15Å; L156-F214 HydrophobicContact CD2-CD2 3.3Å; L156-F214 HydrophobicContact CD2-CE1 3.98Å; L156-F214 HydrophobicContact CD2-CE2 3.12Å; L156-F214 HydrophobicContact CD2-CG 3.82Å; L156-F214 HydrophobicContact CD2-CZ 3.48Å; L156-F214 VanDerWaalsContact CD2-CZ 3.48Å; L156-F214 HydrophobicContact CG-CD2 3.42Å; L156-F214 VanDerWaalsContact CG-CD2 3.42Å; L156-F214 HydrophobicContact CG-CE2 3.63Å; L156-F214 HydrophobicContact CG-CG 4.12Å; L156-F214 HydrophobicContact CG-CZ 4.45Å; L156-L217 HydrophobicContact CD1-CB 3.88Å; L156-L217 HydrophobicContact CD1-CD1 3.4Å; L156-L217 HydrophobicContact CD1-CG 4.27Å; L156-V218 HydrophobicContact CD2-CG2 4.31Å
157A82.9Confident84.4Confident0 Ų045.9 Ų45.90%026%0.26CS..Hα-helixtrans-64.5-44.918000000111.9L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.33Å; N101-A157 HydrophobicContact CB-CB 3.92Å; N101-A157 PolarHBondContact ND2-O 2.98Å; L102-A157 HydrophobicContact CB-CB 4.42Å; L102-A157 HydrophobicContact CD1-CB 4.02Å; A105-A157 HydrophobicContact CB-CB 4.26Å; P153-A157 PolarHBondContact O-N 3.35Å; M154-A157 PolarHBondContact O-N 2.95Å; A157-R159 PolarHBondContact O-N 3.34Å; A157-L160 PolarHBondContact O-N 3.32Å; A157-T161 PolarHBondContact O-N 2.99Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 3.48Å
158V86.4Confident84.5Confident62 Ų6243.3 Ų43.338%0.37625%0.246SC..Hα-helixtrans-63.8-39.7177.9172.90000111.4L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.9Å; M154-V158 HydrophobicContact CE-CG2 4.11Å; M154-V158 HydrophobicContact CG-CG2 4.48Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.07Å; M154-V158 PolarHBondContact O-N 3.48Å; V158-L160 VanDerWaalsContact C-N 3.27Å; V158-L160 PolarHBondContact O-N 3.22Å; V158-T161 WeakPolarHBondContact CA-OG1 3.46Å; V158-T161 PolarHBondContact O-N 3.38Å; V158-T161 PolarHBondContact O-OG1 2.86Å; V158-A162 WeakPolarHBondContact O-CB 3.28Å; V158-A162 PolarHBondContact O-N 3.4Å
159R86.9Confident84.7Confident98 Ų9842.9 Ų42.937%0.3724%0.239SC..Hα-helixtrans-59.2-41.4177.6-169.4-173.7-61.2153.32.6111.5A155 L156 A157 N163 Q210A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.49Å; A155-R159 PolarHBondContact O-N 3.41Å; L156-R159 PolarHBondContact O-N 2.92Å; A157-R159 PolarHBondContact O-N 3.34Å; R159-N163 WeakPolarHBondContact O-CB 3.43Å; R159-N163 VanDerWaalsContact O-CG 3.27Å; R159-N163 PolarHBondContact O-N 3.31Å; R159-N163 PolarHBondContact O-ND2 3.07Å; R159-Q210 VanDerWaalsContact C-NE2 3.29Å; R159-Q210 VanDerWaalsContact CG-NE2 3.34Å
160L81Confident85.1Confident2 Ų244.4 Ų44.41%0.0125%0.248CC..Hα-helixtrans-72.1-41.5-177.8-159.9138.4000111.6I79 T95 N101 L156 A157 V158 I164 Q210 F214I79-L160 HydrophobicContact CG2-CD1 3.62Å; T95-L160 HydrophobicContact CG2-CD2 3.97Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.17Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.26Å; L156-L160 PolarHBondContact O-N 2.91Å; A157-L160 PolarHBondContact O-N 3.32Å; V158-L160 VanDerWaalsContact C-N 3.27Å; V158-L160 PolarHBondContact O-N 3.22Å; L160-I164 HydrophobicContact CD2-CD1 3.69Å; L160-I164 HydrophobicContact CG-CD1 4.22Å; L160-I164 WeakPolarHBondContact O-CG1 3.49Å; L160-I164 PolarHBondContact O-N 3.29Å; L160-Q210 HydrophobicContact CB-CG 4.13Å; L160-Q210 HydrophobicContact CD1-CG 3.71Å; L160-Q210 HydrophobicContact CG-CG 3.71Å; L160-F214 HydrophobicContact CD1-CB 4.46Å; L160-F214 HydrophobicContact CD1-CD2 4.03Å
161T85Confident85.5Confident14 Ų1440.7 Ų40.79%0.08623%0.227CC..Hα-helixtrans-65.4-46.3174.448.70000112.2T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.37Å; L98-T161 VanDerWaalsContact CA-CG2 3.44Å; L98-T161 HydrophobicContact CB-CG2 4.02Å; L98-T161 HydrophobicContact CD1-CG2 4.01Å; N101-T161 HydrophobicContact CB-CG2 4.36Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.27Å; N101-T161 PolarHBondContact ND2-N 3.47Å; A157-T161 PolarHBondContact O-N 2.99Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 3.48Å; V158-T161 WeakPolarHBondContact CA-OG1 3.46Å; V158-T161 PolarHBondContact O-N 3.38Å; V158-T161 PolarHBondContact O-OG1 2.86Å; T161-N163 PolarHBondContact O-N 2.83Å; T161-I164 PolarHBondContact O-N 3.38Å; T161-T165 VanDerWaalsContact O-CB 3.3Å; T161-T165 WeakPolarHBondContact O-CB 3.38Å; T161-T165 VanDerWaalsContact O-CG2 3.23Å; T161-T165 WeakPolarHBondContact O-CG2 3.3Å; T161-T165 PolarHBondContact O-N 3.02Å; T161-T165 PolarHBondContact O-OG1 3.12Å
162A84.3Confident85.7Confident41 Ų4139.5 Ų39.534%0.33922%0.22SC..Hα-helixtrans-63.5-44.4-172.300000111V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.28Å; V158-A162 PolarHBondContact O-N 3.4Å; A162-T165 PolarHBondContact O-OG1 3.25Å; A162-A166 WeakPolarHBondContact O-CB 3.28Å; A162-A166 PolarHBondContact O-N 3.15Å
163N88.3Confident86Confident60 Ų6040.4 Ų40.432%0.32123%0.226SC..Hα-helixtrans-64.5-47.9-179.2-69.7-6.4000111.5R159 T161 G167 V206R159-N163 WeakPolarHBondContact O-CB 3.43Å; R159-N163 VanDerWaalsContact O-CG 3.27Å; R159-N163 PolarHBondContact O-N 3.31Å; R159-N163 PolarHBondContact O-ND2 3.07Å; T161-N163 PolarHBondContact O-N 2.83Å; N163-G167 PolarHBondContact O-N 3.21Å; N163-V206 HydrophobicContact CB-CG1 4.08Å
164I85.2Confident86.6Confident4 Ų441.4 Ų41.42%0.02123%0.231CC..Hα-helixtrans-71.1-39.2-176.7-59172.3000111.5N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.27Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.43Å; T93-I164 HydrophobicContact CG2-CG2 4.27Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.36Å; T96-I164 HydrophobicContact CG2-CB 4.35Å; T96-I164 HydrophobicContact CG2-CG2 3.66Å; L160-I164 HydrophobicContact CD2-CD1 3.69Å; L160-I164 HydrophobicContact CG-CD1 4.22Å; L160-I164 WeakPolarHBondContact O-CG1 3.49Å; L160-I164 PolarHBondContact O-N 3.29Å; T161-I164 PolarHBondContact O-N 3.38Å; I164-H168 WeakPolarHBondContact O-CB 3.01Å; I164-H168 PolarHBondContact O-N 2.73Å; I164-H168 VanDerWaalsContact O-N 3.12Å
165T87.7Confident86.9Confident36 Ų3638.9 Ų38.922%0.22122%0.224CC..Hα-helixtrans-67.6-46.317752.80000111.7F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.38Å; F9-T165 HydrophobicContact CE1-CG2 4.09Å; T96-T165 HydrophobicContact CG2-CG2 3.71Å; T161-T165 VanDerWaalsContact O-CB 3.3Å; T161-T165 WeakPolarHBondContact O-CB 3.38Å; T161-T165 VanDerWaalsContact O-CG2 3.23Å; T161-T165 WeakPolarHBondContact O-CG2 3.3Å; T161-T165 PolarHBondContact O-N 3.02Å; T161-T165 PolarHBondContact O-OG1 3.12Å; A162-T165 PolarHBondContact O-OG1 3.25Å; T165-H168 PolarHBondContact O-N 3.08Å; T165-L169 WeakPolarHBondContact O-CB 3.01Å; T165-L169 WeakPolarHBondContact O-CG 3.25Å; T165-L169 PolarHBondContact O-N 3.15Å
166A87.4Confident87.1Confident54 Ų5439.5 Ų39.545%0.44623%0.226SC..Hα-helixtrans-64.3-42.9178.500000111.4A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.28Å; A162-A166 PolarHBondContact O-N 3.15Å; A166-L169 PolarHBondContact O-N 3.3Å; A166-L170 VanDerWaalsContact O-CB 3.26Å; A166-L170 WeakPolarHBondContact O-CB 3.31Å; A166-L170 PolarHBondContact O-N 3.36Å
167G88.2Confident87.5Confident5 Ų541.1 Ų41.15%0.05224%0.241CC..Hα-helixtrans-58.3-48.217600000112.6N163 L170 M171 E203N163-G167 PolarHBondContact O-N 3.21Å; G167-L170 PolarHBondContact O-N 3.09Å; G167-M171 WeakPolarHBondContact O-CG 3.35Å; G167-M171 PolarHBondContact O-N 3.2Å; G167-E203 WeakPolarHBondContact CA-OE2 3.43Å
168H88.2Confident87.8Confident31 Ų3142.2 Ų42.214%0.14425%0.247CC..Hα-helixtrans-62-44.7175.9-99-86.5000113.4F9 G86 I164 T165 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.09Å; F9-H168 HydrophobicContact CZ-CB 3.83Å; G86-H168 PolarHBondContact O-CE1 3.19Å; G86-H168 PolarHBondContact O-NE2 2.92Å; I164-H168 WeakPolarHBondContact O-CB 3.01Å; I164-H168 PolarHBondContact O-N 2.73Å; I164-H168 VanDerWaalsContact O-N 3.12Å; T165-H168 PolarHBondContact O-N 3.08Å; H168-L170 VanDerWaalsContact C-N 3.31Å; H168-L170 PolarHBondContact O-N 3.31Å; H168-M171 PolarHBondContact O-N 2.91Å; H168-H172 PolarHBondContact O-N 2.93Å
169L88.2Confident88Confident40 Ų4045.4 Ų45.421%0.20926%0.262CS..Hα-helixtrans-61.2-42.1175.7-77.8170.8000111.5L5 F6 F9 T165 A166 H172 L173L5-L169 HydrophobicContact CB-CD2 4.26Å; F6-L169 HydrophobicContact CD1-CD2 4.47Å; F6-L169 HydrophobicContact CE1-CD1 4.07Å; F6-L169 HydrophobicContact CE1-CD2 4.13Å; F6-L169 HydrophobicContact CZ-CD2 4.47Å; F9-L169 HydrophobicContact CE2-CD1 4.4Å; F9-L169 HydrophobicContact CE2-CD2 3.71Å; F9-L169 HydrophobicContact CE2-CG 3.76Å; F9-L169 HydrophobicContact CZ-CD2 4.35Å; F9-L169 HydrophobicContact CZ-CG 3.94Å; T165-L169 WeakPolarHBondContact O-CB 3.01Å; T165-L169 WeakPolarHBondContact O-CG 3.25Å; T165-L169 PolarHBondContact O-N 3.15Å; A166-L169 PolarHBondContact O-N 3.3Å; L169-H172 PolarHBondContact O-N 3.35Å; L169-L173 WeakPolarHBondContact O-CB 3.36Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.26Å; L169-L173 PolarHBondContact O-N 2.73Å
170L90.1Very high88Confident78 Ų7843 Ų4341%0.40826%0.262SS..Hα-helixtrans-68.1-41.5-179.2-154.2155.3000111A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.26Å; A166-L170 WeakPolarHBondContact O-CB 3.31Å; A166-L170 PolarHBondContact O-N 3.36Å; G167-L170 PolarHBondContact O-N 3.09Å; H168-L170 VanDerWaalsContact C-N 3.31Å; H168-L170 PolarHBondContact O-N 3.31Å; L170-H172 VanDerWaalsContact C-N 3.34Å; L170-H172 PolarHBondContact O-N 2.83Å; L170-L173 PolarHBondContact O-N 3.14Å; L170-I174 HydrophobicContact CD2-CD1 3.47Å; L170-I174 VanDerWaalsContact CD2-CD1 3.47Å; L170-I174 HydrophobicContact CD2-CG1 4.05Å; L170-I174 WeakPolarHBondContact O-CG1 3.37Å; L170-I174 PolarHBondContact O-N 3.18Å; L170-L199 HydrophobicContact CB-CD2 4.34Å; L170-L199 HydrophobicContact CD2-CD1 3.71Å; L170-L199 HydrophobicContact CD2-CD2 3.24Å; L170-L199 HydrophobicContact CD2-CG 4.09Å; L170-L199 HydrophobicContact CG-CD2 4.36Å
171M90.6Very high88.3Confident28 Ų2845.8 Ų45.814%0.13828%0.276CS..Hα-helixtrans-59.2-43.2171.8-74.2-172.2-67.400111.8L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 4Å; G167-M171 WeakPolarHBondContact O-CG 3.35Å; G167-M171 PolarHBondContact O-N 3.2Å; H168-M171 PolarHBondContact O-N 2.91Å; M171-G175 PolarHBondContact O-N 3.06Å; M171-L199 HydrophobicContact CB-CD2 4.32Å; M171-L199 HydrophobicContact CG-CD2 3.58Å; M171-L199 HydrophobicContact CG-CG 4.17Å; M171-T200 HydrophobicContact SD-CG2 3.95Å; M171-E203 HydrophobicContact CE-CG 4.22Å
172H89.3Confident88.5Confident74 Ų7448.5 Ų48.534%0.34330%0.296SS..Hα-helixtrans-67.5-42.1178.5-166.6-64000112.4L5 H168 L169 L170 G175 S176L5-H172 VanDerWaalsContact CD2-CE1 3.43Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.38Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.43Å; H168-H172 PolarHBondContact O-N 2.93Å; L169-H172 PolarHBondContact O-N 3.35Å; L170-H172 VanDerWaalsContact C-N 3.34Å; L170-H172 PolarHBondContact O-N 2.83Å; H172-G175 PolarHBondContact O-N 2.86Å; H172-S176 WeakPolarHBondContact O-CB 3.4Å; H172-S176 PolarHBondContact O-N 2.98Å; H172-S176 PolarHBondContact O-OG 3.27Å
173L89.9Confident88.6Confident88 Ų8852.2 Ų52.246%0.46132%0.315SS..Hα-helixtrans-63.7-47.6178.4-74.3171.9000111.2L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 3.88Å; L5-L173 HydrophobicContact CD2-CD2 4.43Å; L169-L173 WeakPolarHBondContact O-CB 3.36Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.26Å; L169-L173 PolarHBondContact O-N 2.73Å; L170-L173 PolarHBondContact O-N 3.14Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 2.68Å; L173-S176 PolarHBondContact O-N 3.5Å; L173-S176 PolarHBondContact O-OG 3Å; L173-A177 PolarHBondContact O-N 3Å
174I91.3Very high88.6Confident32 Ų3254.3 Ų54.316%0.16433%0.325CS..Hα-helixtrans-65.6-39.4176.7-64.2-173.4000110.6L170 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 4.05Å; L170-I174 WeakPolarHBondContact O-CG1 3.37Å; L170-I174 PolarHBondContact O-N 3.18Å; I174-S176 VanDerWaalsContact C-N 3.34Å; I174-S176 PolarHBondContact O-N 3.32Å; I174-A177 WeakPolarHBondContact O-CB 3.26Å; I174-A177 PolarHBondContact O-N 3.07Å; I174-A177 VanDerWaalsContact O-N 3.16Å; I174-T178 HydrophobicContact CG2-CG2 4.35Å; I174-T178 WeakPolarHBondContact O-CG2 3.47Å; I174-T178 PolarHBondContact O-N 3.41Å; I174-T178 PolarHBondContact O-OG1 3.03Å; I174-I192 HydrophobicContact CG2-CG2 3.85Å; I174-I195 HydrophobicContact CD1-CG2 4.04Å; I174-L196 HydrophobicContact CB-CD1 4.2Å; I174-L196 HydrophobicContact CG2-CB 3.94Å; I174-L196 HydrophobicContact CG2-CD1 4.01Å; I174-L199 HydrophobicContact CD1-CD2 4.13Å
175G89.8Confident88.7Confident24 Ų2458.8 Ų58.825%0.24735%0.348CS..Hα-helixtrans-61.1-38.8174.500000113.5M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 3.06Å; H172-G175 PolarHBondContact O-N 2.86Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 2.68Å; G175-T178 PolarHBondContact O-OG1 3.38Å; G175-L179 WeakPolarHBondContact O-CB 3.48Å; G175-L179 PolarHBondContact O-N 3.29Å; G175-L179 VanDerWaalsContact O-N 3.16Å
176S88.8Confident88.6Confident53 Ų5363.8 Ų63.837%0.37137%0.373SS..Hα-helixtrans-68.7-36.217471.50000112H172 L173 I174 L179 A180H172-S176 WeakPolarHBondContact O-CB 3.4Å; H172-S176 PolarHBondContact O-N 2.98Å; H172-S176 PolarHBondContact O-OG 3.27Å; L173-S176 PolarHBondContact O-N 3.5Å; L173-S176 PolarHBondContact O-OG 3Å; I174-S176 VanDerWaalsContact C-N 3.34Å; I174-S176 PolarHBondContact O-N 3.32Å; S176-L179 PolarHBondContact O-N 2.97Å; S176-A180 WeakPolarHBondContact O-CB 3.24Å; S176-A180 PolarHBondContact O-N 3.47Å
177A88.1Confident88.7Confident40 Ų4066.2 Ų66.233%0.33138%0.384SS..Hα-helixtrans-68.9-40.9176.200000112.1L173 I174 L179 A180 M181L173-A177 PolarHBondContact O-N 3Å; I174-A177 WeakPolarHBondContact O-CB 3.26Å; I174-A177 PolarHBondContact O-N 3.07Å; I174-A177 VanDerWaalsContact O-N 3.16Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 2.97Å; A177-A180 PolarHBondContact O-N 3.41Å; A177-M181 WeakPolarHBondContact O-CB 3.12Å; A177-M181 WeakPolarHBondContact O-CG 3.31Å; A177-M181 PolarHBondContact O-N 3.35Å
178T90.3Very high88.6Confident23 Ų2367.8 Ų67.814%0.14139%0.394CS..Hα-helixtrans-61.7-41.4174.756.60000111I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.35Å; I174-T178 WeakPolarHBondContact O-CG2 3.47Å; I174-T178 PolarHBondContact O-N 3.41Å; I174-T178 PolarHBondContact O-OG1 3.03Å; G175-T178 PolarHBondContact O-OG1 3.38Å; T178-M181 PolarHBondContact O-N 3.46Å; T178-S182 PolarHBondContact O-N 2.89Å; T178-I192 HydrophobicContact CG2-CB 3.9Å; T178-I192 HydrophobicContact CG2-CG2 3.37Å
179L89.3Confident88.7Confident128 Ų12867.2 Ų67.267%0.6739%0.393SS*.Hα-helixtrans-66.3-43.1177.8-166.2141.1000111.6G175 S176 A177 M181 S182G175-L179 WeakPolarHBondContact O-CB 3.48Å; G175-L179 PolarHBondContact O-N 3.29Å; G175-L179 VanDerWaalsContact O-N 3.16Å; S176-L179 PolarHBondContact O-N 2.97Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 2.97Å; L179-M181 PolarHBondContact O-N 3.29Å; L179-S182 WeakPolarHBondContact O-CB 3.37Å; L179-S182 PolarHBondContact O-N 3.46Å; L179-S182 PolarHBondContact O-OG 3.45Å
180A88.1Confident88.9Confident47 Ų4771 Ų7139%0.38841%0.413SS..Hα-helixtrans-65.7-36.4175.900000113.1S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.24Å; S176-A180 PolarHBondContact O-N 3.47Å; A177-A180 PolarHBondContact O-N 3.41Å; A180-S182 VanDerWaalsContact C-N 3.29Å; A180-S182 PolarHBondContact O-N 2.9Å; A180-T183 PolarHBondContact O-OG1 3.43Å
181M87Confident88.9Confident62 Ų6270.1 Ų70.131%0.30541%0.414SS..Hα-helixtrans-75-20.9177.5-66.3-64.8116.700112.4A177 T178 L179 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.12Å; A177-M181 WeakPolarHBondContact O-CG 3.31Å; A177-M181 PolarHBondContact O-N 3.35Å; T178-M181 PolarHBondContact O-N 3.46Å; L179-M181 PolarHBondContact O-N 3.29Å; M181-T183 PolarHBondContact O-N 3.32Å; M181-I184 HydrophobicContact CE-CD1 3.7Å; M181-I184 PolarHBondContact O-N 3.35Å; M181-I184 HydrophobicContact SD-CD1 4.08Å; M181-N185 PolarHBondContact O-N 2.85Å; M181-N185 VanDerWaalsContact O-N 3.13Å; M181-T189 HydrophobicContact CB-CG2 3.74Å; M181-T189 WeakPolarHBondContact O-CG2 3.43Å; M181-I192 HydrophobicContact CB-CD1 4.26Å; M181-I192 HydrophobicContact CG-CD1 3.66Å
182S87.7Confident89Confident71 Ų7170.7 Ų70.750%0.49742%0.417SS..Hα-helixtrans-60.3-30.5-17976.90000112.7T178 L179 A180 T189T178-S182 PolarHBondContact O-N 2.89Å; L179-S182 WeakPolarHBondContact O-CB 3.37Å; L179-S182 PolarHBondContact O-N 3.46Å; L179-S182 PolarHBondContact O-OG 3.45Å; A180-S182 VanDerWaalsContact C-N 3.29Å; A180-S182 PolarHBondContact O-N 2.9Å; S182-T189 VanDerWaalsContact N-CG2 3.29Å
183T87.1Confident89.1Confident119 Ų11972.1 Ų72.173%0.7342%0.422SS*.THydrogen-bonded Turntrans-83.3-12.9177.658.90000113.4A180 M181A180-T183 PolarHBondContact O-OG1 3.43Å; M181-T183 PolarHBondContact O-N 3.32Å
184I87.7Confident89.3Confident104 Ų10471.7 Ų71.753%0.53342%0.423SS..THydrogen-bonded Turntrans-100.6-64.3-174.1-55.2173.2000110.7M181M181-I184 HydrophobicContact CE-CD1 3.7Å; M181-I184 PolarHBondContact O-N 3.35Å; M181-I184 HydrophobicContact SD-CD1 4.08Å
185N88Confident89.4Confident97 Ų9774.4 Ų74.452%0.51944%0.437SS..  trans-149.2117.5-171.5-83.4-22.3000112.6M181 S188 T189M181-N185 PolarHBondContact O-N 2.85Å; M181-N185 VanDerWaalsContact O-N 3.13Å; N185-S188 WeakPolarHBondContact CB-OG 3.3Å; N185-S188 PolarHBondContact O-N 3.35Å; N185-S188 PolarHBondContact O-OG 2.97Å; N185-T189 VanDerWaalsContact O-CG2 3.3Å; N185-T189 WeakPolarHBondContact O-CG2 3.26Å; N185-T189 PolarHBondContact O-N 3.28Å
186L86.6Confident89.6Confident142 Ų14274.8 Ų74.874%0.74343%0.433SS*.Hα-helixtrans-56.9-40.4178.5-160.881.1000115.9S188 T189 L190L186-S188 VanDerWaalsContact C-N 3.34Å; L186-S188 PolarHBondContact O-N 3.31Å; L186-T189 WeakPolarHBondContact CA-OG1 3.49Å; L186-T189 PolarHBondContact O-N 2.87Å; L186-T189 PolarHBondContact O-OG1 2.87Å; L186-L190 PolarHBondContact O-N 2.86Å
187P88.4Confident89.8Confident104 Ų10475.9 Ų75.968%0.67543%0.434SS*.Hα-helixtrans-69-34.2179.523.8-32000112.3T189 L190 S191P187-T189 VanDerWaalsContact C-N 3.34Å; P187-L190 PolarHBondContact O-N 3.38Å; P187-S191 PolarHBondContact O-N 2.97Å
188S86.7Confident90.1Very high38 Ų3879.6 Ų79.627%0.26645%0.448SS..Hα-helixtrans-71.2-29.3176.770.60000112.7N185 L186 L190 S191 I192N185-S188 WeakPolarHBondContact CB-OG 3.3Å; N185-S188 PolarHBondContact O-N 3.35Å; N185-S188 PolarHBondContact O-OG 2.97Å; L186-S188 VanDerWaalsContact C-N 3.34Å; L186-S188 PolarHBondContact O-N 3.31Å; S188-L190 VanDerWaalsContact C-N 3.35Å; S188-S191 PolarHBondContact O-OG 3.35Å; S188-I192 WeakPolarHBondContact O-CG1 3.27Å; S188-I192 PolarHBondContact O-N 2.81Å
189T90.9Very high90.3Very high20 Ų2079.6 Ų79.612%0.12345%0.447CS..Hα-helixtrans-71-37.3176.959.90000111.3M181 S182 N185 L186 P187 S191 I192 F193M181-T189 HydrophobicContact CB-CG2 3.74Å; M181-T189 WeakPolarHBondContact O-CG2 3.43Å; S182-T189 VanDerWaalsContact N-CG2 3.29Å; N185-T189 VanDerWaalsContact O-CG2 3.3Å; N185-T189 WeakPolarHBondContact O-CG2 3.26Å; N185-T189 PolarHBondContact O-N 3.28Å; L186-T189 WeakPolarHBondContact CA-OG1 3.49Å; L186-T189 PolarHBondContact O-N 2.87Å; L186-T189 PolarHBondContact O-OG1 2.87Å; P187-T189 VanDerWaalsContact C-N 3.34Å; T189-S191 VanDerWaalsContact C-N 3.32Å; T189-S191 PolarHBondContact O-N 2.6Å; T189-I192 PolarHBondContact O-N 3.03Å; T189-F193 WeakPolarHBondContact O-CB 3.49Å; T189-F193 PolarHBondContact O-N 3.26Å
190L90.9Very high90.4Very high118 Ų11876 Ų7662%0.61843%0.431SS*.Hα-helixtrans-61.6-43.1178.4-153.186.4000110.8L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 2.86Å; P187-L190 PolarHBondContact O-N 3.38Å; S188-L190 VanDerWaalsContact C-N 3.35Å; L190-F193 PolarHBondContact O-N 2.95Å; L190-T194 WeakPolarHBondContact O-CG2 3.39Å; L190-T194 PolarHBondContact O-N 2.98Å
191S90.8Very high90.6Very high61 Ų6178.7 Ų78.743%0.42744%0.437SS..Hα-helixtrans-68-38.1179.263.80000113.3P187 S188 T189 T194 I195P187-S191 PolarHBondContact O-N 2.97Å; S188-S191 PolarHBondContact O-OG 3.35Å; T189-S191 VanDerWaalsContact C-N 3.32Å; T189-S191 PolarHBondContact O-N 2.6Å; S191-T194 PolarHBondContact O-OG1 2.86Å; S191-I195 WeakPolarHBondContact O-CG1 3.35Å; S191-I195 PolarHBondContact O-N 3.41Å
192I92.5Very high90.8Very high40 Ų4080.4 Ų80.421%0.20545%0.447CS..Hα-helixtrans-72.8-34.3176.2-57.1168.7000110.3I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.85Å; T178-I192 HydrophobicContact CG2-CB 3.9Å; T178-I192 HydrophobicContact CG2-CG2 3.37Å; M181-I192 HydrophobicContact CB-CD1 4.26Å; M181-I192 HydrophobicContact CG-CD1 3.66Å; S188-I192 WeakPolarHBondContact O-CG1 3.27Å; S188-I192 PolarHBondContact O-N 2.81Å; T189-I192 PolarHBondContact O-N 3.03Å; I192-I195 WeakPolarHBondContact O-CB 3.4Å; I192-I195 PolarHBondContact O-N 2.97Å; I192-L196 PolarHBondContact O-N 3.47Å
193F92.3Very high91Very high104 Ų10477.6 Ų77.646%0.45643%0.426SS..Hα-helixtrans-65.7-38175.7-173.6-106.3000112.5T189 L190 I195 L196 I197T189-F193 WeakPolarHBondContact O-CB 3.49Å; T189-F193 PolarHBondContact O-N 3.26Å; L190-F193 PolarHBondContact O-N 2.95Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 2.89Å; F193-L196 HydrophobicContact CD2-CD2 4.35Å; F193-L196 HydrophobicContact CE2-CD2 4.49Å; F193-L196 WeakPolarHBondContact O-CB 3.25Å; F193-L196 PolarHBondContact O-N 3.01Å; F193-I197 HydrophobicContact CD1-CD1 3.8Å; F193-I197 HydrophobicContact CE1-CD1 3.5Å; F193-I197 VanDerWaalsContact CE1-CD1 3.5Å; F193-I197 HydrophobicContact CE1-CG1 4.22Å; F193-I197 HydrophobicContact CZ-CD1 4.15Å; F193-I197 HydrophobicContact CZ-CG1 4.45Å; F193-I197 WeakPolarHBondContact O-CG1 3.35Å; F193-I197 PolarHBondContact O-N 2.74Å
194T93.3Very high91.2Very high78 Ų7876 Ų7648%0.47941%0.412SS..Hα-helixtrans-64.1-37172.657.70000112L190 S191 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.39Å; L190-T194 PolarHBondContact O-N 2.98Å; S191-T194 PolarHBondContact O-OG1 2.86Å; T194-I197 PolarHBondContact O-N 3.46Å; T194-L198 PolarHBondContact O-N 3.29Å
195I94Very high91.4Very high90 Ų9073.2 Ų73.246%0.46241%0.405SS..Hα-helixtrans-62.7-42.2173.3-65166.4000110.9I174 S191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.04Å; S191-I195 WeakPolarHBondContact O-CG1 3.35Å; S191-I195 PolarHBondContact O-N 3.41Å; I192-I195 WeakPolarHBondContact O-CB 3.4Å; I192-I195 PolarHBondContact O-N 2.97Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 2.89Å; I195-I197 PolarHBondContact O-N 2.94Å; I195-L198 PolarHBondContact O-N 3.39Å; I195-L199 WeakPolarHBondContact O-CB 3.37Å; I195-L199 PolarHBondContact O-N 2.94Å
196L93.4Very high91.6Very high31 Ų3170.4 Ų70.416%0.16239%0.391CS..Hα-helixtrans-59.4-45.9175.9-177.467.2000111.4I174 I192 F193 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.2Å; I174-L196 HydrophobicContact CG2-CB 3.94Å; I174-L196 HydrophobicContact CG2-CD1 4.01Å; I192-L196 PolarHBondContact O-N 3.47Å; F193-L196 HydrophobicContact CD2-CD2 4.35Å; F193-L196 HydrophobicContact CE2-CD2 4.49Å; F193-L196 WeakPolarHBondContact O-CB 3.25Å; F193-L196 PolarHBondContact O-N 3.01Å; L196-L198 VanDerWaalsContact C-N 3.35Å; L196-L198 PolarHBondContact O-N 3.16Å; L196-L199 WeakPolarHBondContact O-CB 3.43Å; L196-L199 PolarHBondContact O-N 2.99Å; L196-T200 WeakPolarHBondContact O-CG2 3.33Å; L196-T200 PolarHBondContact O-N 3.37Å
197I92.8Very high91.7Very high76 Ų7663.8 Ų63.839%0.3936%0.357SS..Hα-helixtrans-59.8-47.3176.3-67.3164.9000110.4F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.8Å; F193-I197 HydrophobicContact CE1-CD1 3.5Å; F193-I197 VanDerWaalsContact CE1-CD1 3.5Å; F193-I197 HydrophobicContact CE1-CG1 4.22Å; F193-I197 HydrophobicContact CZ-CD1 4.15Å; F193-I197 HydrophobicContact CZ-CG1 4.45Å; F193-I197 WeakPolarHBondContact O-CG1 3.35Å; F193-I197 PolarHBondContact O-N 2.74Å; T194-I197 PolarHBondContact O-N 3.46Å; I195-I197 PolarHBondContact O-N 2.94Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.44Å; I197-T200 PolarHBondContact O-N 2.88Å; I197-T200 VanDerWaalsContact O-N 3.15Å; I197-T200 PolarHBondContact O-OG1 2.83Å; I197-I201 HydrophobicContact CG2-CD1 4.14Å; I197-I201 WeakPolarHBondContact O-CG1 3.24Å; I197-I201 PolarHBondContact O-N 3.44Å; I197-I201 VanDerWaalsContact O-N 3.13Å
198L94.7Very high91.8Very high119 Ų11964.1 Ų64.162%0.62335%0.353SS*.Hα-helixtrans-60.1-40.7179.4-17564000111.8T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 3.29Å; I195-L198 PolarHBondContact O-N 3.39Å; L196-L198 VanDerWaalsContact C-N 3.35Å; L196-L198 PolarHBondContact O-N 3.16Å; L198-I201 PolarHBondContact O-N 3.15Å; L198-L202 PolarHBondContact O-N 3.04Å
199L93.5Very high92Very high23 Ų2366.9 Ų66.912%0.1236%0.364CS..Hα-helixtrans-62.5-42.9175.5-178.771.5000112L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.34Å; L170-L199 HydrophobicContact CD2-CD1 3.71Å; L170-L199 HydrophobicContact CD2-CD2 3.24Å; L170-L199 HydrophobicContact CD2-CG 4.09Å; L170-L199 HydrophobicContact CG-CD2 4.36Å; M171-L199 HydrophobicContact CB-CD2 4.32Å; M171-L199 HydrophobicContact CG-CD2 3.58Å; M171-L199 HydrophobicContact CG-CG 4.17Å; I174-L199 HydrophobicContact CD1-CD2 4.13Å; I195-L199 WeakPolarHBondContact O-CB 3.37Å; I195-L199 PolarHBondContact O-N 2.94Å; L196-L199 WeakPolarHBondContact O-CB 3.43Å; L196-L199 PolarHBondContact O-N 2.99Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.44Å; L199-I201 VanDerWaalsContact C-N 3.28Å; L199-I201 PolarHBondContact O-N 2.98Å; L199-L202 HydrophobicContact CD1-CD2 4.47Å; L199-L202 WeakPolarHBondContact O-CB 3.47Å; L199-L202 PolarHBondContact O-N 2.86Å; L199-E203 PolarHBondContact O-N 3.49Å
200T91.5Very high91.9Very high53 Ų5366.4 Ų66.433%0.32536%0.36SS..Hα-helixtrans-61.9-38.217861.30000111.9M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.95Å; L196-T200 WeakPolarHBondContact O-CG2 3.33Å; L196-T200 PolarHBondContact O-N 3.37Å; I197-T200 PolarHBondContact O-N 2.88Å; I197-T200 VanDerWaalsContact O-N 3.15Å; I197-T200 PolarHBondContact O-OG1 2.83Å; T200-E203 PolarHBondContact O-N 3.48Å; T200-I204 VanDerWaalsContact O-CG1 3.27Å; T200-I204 WeakPolarHBondContact O-CG1 3.5Å; T200-I204 PolarHBondContact O-N 3.11Å
201I92.8Very high91.8Very high102 Ų10260.9 Ų60.952%0.52333%0.331SS..Hα-helixtrans-64.9-43.4175.6-64.4167.8000110.4I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.14Å; I197-I201 WeakPolarHBondContact O-CG1 3.24Å; I197-I201 PolarHBondContact O-N 3.44Å; I197-I201 VanDerWaalsContact O-N 3.13Å; L198-I201 PolarHBondContact O-N 3.15Å; L199-I201 VanDerWaalsContact C-N 3.28Å; L199-I201 PolarHBondContact O-N 2.98Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.45Å; I201-I204 PolarHBondContact O-N 3.16Å; I201-A205 PolarHBondContact O-N 2.88Å; I201-A205 VanDerWaalsContact O-N 3.16Å
202L92.1Very high91.8Very high99 Ų9962.8 Ų62.852%0.51833%0.33SS..Hα-helixtrans-59.4-45.8175.7179.367000111L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 3.04Å; L199-L202 HydrophobicContact CD1-CD2 4.47Å; L199-L202 WeakPolarHBondContact O-CB 3.47Å; L199-L202 PolarHBondContact O-N 2.86Å; L202-I204 PolarHBondContact O-N 2.99Å; L202-A205 WeakPolarHBondContact O-CB 3.44Å; L202-A205 PolarHBondContact O-N 3.17Å; L202-A205 VanDerWaalsContact O-N 3.11Å; L202-V206 HydrophobicContact CD1-CG2 4.34Å; L202-V206 HydrophobicContact CG-CG2 4.31Å; L202-V206 WeakPolarHBondContact O-CG2 3.4Å; L202-V206 PolarHBondContact O-N 3.49Å
203E91.1Very high91.6Very high12 Ų1263 Ų636%0.05633%0.332CS..Hα-helixtrans-67.1-36.5-176.9-163.764.1-161.200112.1L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.38Å; L87-E203 HydrophobicContact CD2-CB 4.25Å; L87-E203 HydrophobicContact CD2-CG 3.42Å; L87-E203 VanDerWaalsContact CD2-CG 3.42Å; G167-E203 WeakPolarHBondContact CA-OE2 3.43Å; M171-E203 HydrophobicContact CE-CG 4.22Å; L199-E203 PolarHBondContact O-N 3.49Å; T200-E203 PolarHBondContact O-N 3.48Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.45Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.44Å; E203-V206 PolarHBondContact O-N 3.35Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.49Å; E203-A207 PolarHBondContact O-N 3.03Å
204I91.1Very high91.4Very high84 Ų8458.1 Ų58.143%0.43131%0.311SS..Hα-helixtrans-59.6-43.1171.4-67.4164.4000110.7L84 L87 T200 I201 L202 L208L84-I204 HydrophobicContact CD1-CG2 4.5Å; L87-I204 HydrophobicContact CD1-CB 4.21Å; L87-I204 HydrophobicContact CD1-CG1 3.61Å; T200-I204 VanDerWaalsContact O-CG1 3.27Å; T200-I204 WeakPolarHBondContact O-CG1 3.5Å; T200-I204 PolarHBondContact O-N 3.11Å; I201-I204 PolarHBondContact O-N 3.16Å; L202-I204 PolarHBondContact O-N 2.99Å; I204-L208 PolarHBondContact O-N 2.92Å
205A91.9Very high91.2Very high46 Ų4654.4 Ų54.438%0.3829%0.288SS..Hα-helixtrans-65.7-45.7177.200000111.7I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 2.88Å; I201-A205 VanDerWaalsContact O-N 3.16Å; L202-A205 WeakPolarHBondContact O-CB 3.44Å; L202-A205 PolarHBondContact O-N 3.17Å; L202-A205 VanDerWaalsContact O-N 3.11Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.44Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.14Å; A205-L208 PolarHBondContact O-N 2.96Å; A205-I209 WeakPolarHBondContact O-CB 3.39Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.43Å; A205-I209 PolarHBondContact O-N 3.5Å
206V91.9Very high90.9Very high38 Ų3852.8 Ų52.823%0.2328%0.28CS..Hα-helixtrans-61-42.4178173.10000111N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.08Å; L202-V206 HydrophobicContact CD1-CG2 4.34Å; L202-V206 HydrophobicContact CG-CG2 4.31Å; L202-V206 WeakPolarHBondContact O-CG2 3.4Å; L202-V206 PolarHBondContact O-N 3.49Å; E203-V206 PolarHBondContact O-N 3.35Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.07Å; V206-I209 PolarHBondContact O-N 3.49Å; V206-Q210 WeakPolarHBondContact O-CB 3.42Å; V206-Q210 PolarHBondContact O-N 3.43Å
207A89.4Confident90.6Very high4 Ų453 Ų533%0.03328%0.281CS..Hα-helixtrans-57.7-41.7178.300000112.8N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.94Å; L87-A207 HydrophobicContact CD1-CB 4.11Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.49Å; E203-A207 PolarHBondContact O-N 3.03Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.14Å; A207-A211 PolarHBondContact O-N 3.36Å
208L89.3Confident90.2Very high111 Ų11149.7 Ų49.758%0.58127%0.265SS*.Hα-helixtrans-75.1-45.5178.7-169.6151.4000111.9I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 2.92Å; A205-L208 PolarHBondContact O-N 2.96Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.07Å; L208-Q210 VanDerWaalsContact C-N 3.25Å; L208-Q210 PolarHBondContact O-N 3Å; L208-A211 PolarHBondContact O-N 3.26Å; L208-Y212 PolarHBondContact O-N 3.16Å
209I90.9Very high89.8Confident96 Ų9644.4 Ų44.449%0.49224%0.238SC..Hα-helixtrans-59.9-40.3178-68.9166.7000110.3A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.39Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.43Å; A205-I209 PolarHBondContact O-N 3.5Å; V206-I209 PolarHBondContact O-N 3.49Å; I209-A211 PolarHBondContact O-N 3.45Å; I209-Y212 WeakPolarHBondContact O-CB 3.27Å; I209-Y212 PolarHBondContact O-N 3.04Å; I209-V213 HydrophobicContact CG2-CG2 4.01Å; I209-V213 WeakPolarHBondContact O-CG2 3.38Å; I209-V213 PolarHBondContact O-N 2.82Å
210Q89.2Confident89.4Confident10 Ų1046.9 Ų46.95%0.04725%0.251CS..Hα-helixtrans-65.9-38.3-178.4-173.562.59.200112.3R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.29Å; R159-Q210 VanDerWaalsContact CG-NE2 3.34Å; L160-Q210 HydrophobicContact CB-CG 4.13Å; L160-Q210 HydrophobicContact CD1-CG 3.71Å; L160-Q210 HydrophobicContact CG-CG 3.71Å; V206-Q210 WeakPolarHBondContact O-CB 3.42Å; V206-Q210 PolarHBondContact O-N 3.43Å; L208-Q210 VanDerWaalsContact C-N 3.25Å; L208-Q210 PolarHBondContact O-N 3Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Q210-F214 VanDerWaalsContact O-CB 3.29Å; Q210-F214 WeakPolarHBondContact O-CB 3.49Å; Q210-F214 PolarHBondContact O-N 2.92Å
211A89.6Confident88.8Confident1 Ų145.2 Ų45.21%0.00824%0.239CC..Hα-helixtrans-62.9-40.9172.800000111.7I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.45Å; I79-A211 HydrophobicContact CB-CB 4.05Å; I79-A211 HydrophobicContact CG2-CB 3.74Å; A80-A211 HydrophobicContact CB-CB 3.91Å; A207-A211 PolarHBondContact O-N 3.36Å; L208-A211 PolarHBondContact O-N 3.26Å; I209-A211 PolarHBondContact O-N 3.45Å; A211-T215 WeakPolarHBondContact O-CG2 3.37Å; A211-T215 PolarHBondContact O-N 3.13Å; A211-T215 PolarHBondContact O-OG1 3.04Å
212Y89.6Confident88.3Confident102 Ų10240.4 Ų40.440%0.421%0.214SC..Hα-helixtrans-66.4-49.1176.9176.4-100.6000112.5M57 I76 L208 I209 Q210 F214 T215 L216M57-Y212 HydrophobicContact CE-CD2 4.47Å; I76-Y212 HydrophobicContact CD1-CD2 4.21Å; L208-Y212 PolarHBondContact O-N 3.16Å; I209-Y212 WeakPolarHBondContact O-CB 3.27Å; I209-Y212 PolarHBondContact O-N 3.04Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Y212-F214 VanDerWaalsContact C-N 3.3Å; Y212-F214 PolarHBondContact O-N 2.67Å; Y212-T215 PolarHBondContact O-N 3.35Å; Y212-T215 PolarHBondContact O-OG1 3.48Å; Y212-L216 HydrophobicContact CE1-CD1 3.67Å; Y212-L216 HydrophobicContact CE2-CD1 4.45Å; Y212-L216 VanDerWaalsContact O-CB 3.27Å; Y212-L216 WeakPolarHBondContact O-CB 3.45Å; Y212-L216 PolarHBondContact O-N 3.27Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.41Å
213V89.8Confident87.7Confident43 Ų4339.9 Ų39.926%0.26121%0.209SC..Hα-helixtrans-62.3-39.2179.1172.50000111.1I209 L217I209-V213 HydrophobicContact CG2-CG2 4.01Å; I209-V213 WeakPolarHBondContact O-CG2 3.38Å; I209-V213 PolarHBondContact O-N 2.82Å; V213-L217 HydrophobicContact CG1-CD1 3.92Å; V213-L217 WeakPolarHBondContact O-CG 3.33Å; V213-L217 PolarHBondContact O-N 3.47Å
214F87.4Confident87.1Confident2 Ų242.9 Ų42.91%0.00923%0.225CC..Hα-helixtrans-58.5-51.6177-175.7-77000111.3L75 I79 A105 L108 L156 L160 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.12Å; L75-F214 HydrophobicContact CD2-CD1 3.85Å; L75-F214 HydrophobicContact CD2-CE1 3.71Å; L75-F214 HydrophobicContact CG-CD1 4.38Å; L75-F214 HydrophobicContact CG-CE1 4.2Å; I79-F214 HydrophobicContact CD1-CB 4.33Å; I79-F214 HydrophobicContact CD1-CD1 3.39Å; I79-F214 HydrophobicContact CD1-CD2 4.35Å; I79-F214 HydrophobicContact CD1-CE1 3.71Å; I79-F214 HydrophobicContact CD1-CG 3.78Å; I79-F214 HydrophobicContact CD1-CZ 4.31Å; A105-F214 HydrophobicContact CB-CE2 4.32Å; A105-F214 HydrophobicContact CB-CZ 4.18Å; L108-F214 HydrophobicContact CD1-CE1 4.14Å; L156-F214 HydrophobicContact CD1-CD2 4.19Å; L156-F214 HydrophobicContact CD1-CG 4.48Å; L156-F214 HydrophobicContact CD2-CD1 4.15Å; L156-F214 HydrophobicContact CD2-CD2 3.3Å; L156-F214 HydrophobicContact CD2-CE1 3.98Å; L156-F214 HydrophobicContact CD2-CE2 3.12Å; L156-F214 HydrophobicContact CD2-CG 3.82Å; L156-F214 HydrophobicContact CD2-CZ 3.48Å; L156-F214 VanDerWaalsContact CD2-CZ 3.48Å; L156-F214 HydrophobicContact CG-CD2 3.42Å; L156-F214 VanDerWaalsContact CG-CD2 3.42Å; L156-F214 HydrophobicContact CG-CE2 3.63Å; L156-F214 HydrophobicContact CG-CG 4.12Å; L156-F214 HydrophobicContact CG-CZ 4.45Å; L160-F214 HydrophobicContact CD1-CB 4.46Å; L160-F214 HydrophobicContact CD1-CD2 4.03Å; Q210-F214 VanDerWaalsContact O-CB 3.29Å; Q210-F214 WeakPolarHBondContact O-CB 3.49Å; Q210-F214 PolarHBondContact O-N 2.92Å; Y212-F214 VanDerWaalsContact C-N 3.3Å; Y212-F214 PolarHBondContact O-N 2.67Å; F214-L217 PolarHBondContact O-N 3.33Å; F214-V218 HydrophobicContact CD1-CG2 4.37Å; F214-V218 HydrophobicContact CE1-CG2 4.13Å; F214-V218 WeakPolarHBondContact O-CG2 3.42Å; F214-V218 PolarHBondContact O-N 3.35Å
215T88.9Confident86.3Confident0 Ų040.3 Ų40.30%021%0.212CC..Hα-helixtrans-72-35.9-176.6500000112.7M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.21Å; L75-T215 HydrophobicContact CB-CG2 4.14Å; L75-T215 HydrophobicContact CD2-CG2 3.46Å; L75-T215 VanDerWaalsContact CD2-CG2 3.46Å; L75-T215 HydrophobicContact CG-CG2 3.79Å; I76-T215 VanDerWaalsContact CA-CG2 3.5Å; I76-T215 HydrophobicContact CB-CG2 3.51Å; I76-T215 HydrophobicContact CG1-CG2 4.14Å; A211-T215 WeakPolarHBondContact O-CG2 3.37Å; A211-T215 PolarHBondContact O-N 3.13Å; A211-T215 PolarHBondContact O-OG1 3.04Å; Y212-T215 PolarHBondContact O-N 3.35Å; Y212-T215 PolarHBondContact O-OG1 3.48Å; T215-V218 PolarHBondContact O-N 3.38Å; T215-S219 WeakPolarHBondContact O-CB 3.44Å; T215-S219 PolarHBondContact O-N 2.9Å
216L88Confident85.1Confident56 Ų5639.8 Ų39.829%0.29320%0.204SC..Hα-helixtrans-62.1-45.2174.4-175150000111.5Y212 V218 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.67Å; Y212-L216 HydrophobicContact CE2-CD1 4.45Å; Y212-L216 VanDerWaalsContact O-CB 3.27Å; Y212-L216 WeakPolarHBondContact O-CB 3.45Å; Y212-L216 PolarHBondContact O-N 3.27Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.41Å; L216-V218 PolarHBondContact O-N 2.96Å; L216-S219 CarbonylContact O-C 3.58Å; L216-S219 WeakPolarHBondContact O-CB 3.48Å; L216-S219 PolarHBondContact O-N 3.26Å; L216-S219 VanDerWaalsContact O-N 3.14Å; L216-S219 PolarHBondContact O-OG 2.62Å; L216-L220 PolarHBondContact O-N 2.96Å
217L86.3Confident84.8Confident36 Ų3639.9 Ų39.919%0.18820%0.203CC..Hα-helixtrans-63-43177.9-76.3167.5000111.7L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 3.88Å; L156-L217 HydrophobicContact CD1-CD1 3.4Å; L156-L217 HydrophobicContact CD1-CG 4.27Å; V213-L217 HydrophobicContact CG1-CD1 3.92Å; V213-L217 WeakPolarHBondContact O-CG 3.33Å; V213-L217 PolarHBondContact O-N 3.47Å; F214-L217 PolarHBondContact O-N 3.33Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.22Å; L217-L220 PolarHBondContact O-N 3.22Å; L217-Y221 HydrophobicContact CB-CE2 4.11Å; L217-Y221 WeakPolarHBondContact O-CD2 3.47Å; L217-Y221 WeakPolarHBondContact O-CE2 3.38Å; L217-Y221 PolarHBondContact O-N 2.72Å
218V85.6Confident84.5Confident6 Ų641.7 Ų41.74%0.03621%0.212CC..Hα-helixtrans-59.4-40.8173.2176.40000111.3L72 L108 L156 F214 T215 L216 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.3Å; L72-V218 HydrophobicContact CD2-CG1 3.88Å; L108-V218 HydrophobicContact CB-CG1 4.37Å; L156-V218 HydrophobicContact CD2-CG2 4.31Å; F214-V218 HydrophobicContact CD1-CG2 4.37Å; F214-V218 HydrophobicContact CE1-CG2 4.13Å; F214-V218 WeakPolarHBondContact O-CG2 3.42Å; F214-V218 PolarHBondContact O-N 3.35Å; T215-V218 PolarHBondContact O-N 3.38Å; L216-V218 PolarHBondContact O-N 2.96Å; V218-Y221 PolarHBondContact O-N 3.13Å; V218-L222 PolarHBondContact O-N 3.37Å
219S86.1Confident84.3Confident8 Ų837.9 Ų37.96%0.05619%0.191CC..Hα-helixtrans-66.1-38.6176.987.10000112.2H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact CE1-O 3.3Å; H61-S219 PolarHBondContact NE2-O 2.99Å; T215-S219 WeakPolarHBondContact O-CB 3.44Å; T215-S219 PolarHBondContact O-N 2.9Å; L216-S219 CarbonylContact O-C 3.58Å; L216-S219 WeakPolarHBondContact O-CB 3.48Å; L216-S219 PolarHBondContact O-N 3.26Å; L216-S219 VanDerWaalsContact O-N 3.14Å; L216-S219 PolarHBondContact O-OG 2.62Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.22Å; S219-L222 WeakPolarHBondContact O-CB 3.49Å; S219-L222 PolarHBondContact O-N 2.72Å; S219-H223 PolarHBondContact O-N 3.4Å
220L84.3Confident83.9Confident75 Ų7534.5 Ų34.539%0.39317%0.173SC..Hα-helixtrans-65.6-42176.6-170.7150.9000110.8L216 L217 L222 H223 D224L216-L220 PolarHBondContact O-N 2.96Å; L217-L220 PolarHBondContact O-N 3.22Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.26Å; L220-H223 WeakPolarHBondContact O-CA 3.49Å; L220-H223 WeakPolarHBondContact O-CB 3.2Å; L220-H223 PolarHBondContact O-N 3.26Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.44Å; L220-D224 PolarHBondContact O-N 3.46Å
221Y79.9Confident83.6Confident19 Ų1936 Ų368%0.07518%0.181CC..Hα-helixtrans-60.9-38.5173.1-60.1-44000112.5Q152 L217 V218 H223 N225Q152-Y221 HydrophobicContact CG-CE1 4.31Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.44Å; Q152-Y221 PolarHBondContact NE2-OH 3.46Å; Q152-Y221 PolarHBondContact OE1-OH 3.19Å; L217-Y221 HydrophobicContact CB-CE2 4.11Å; L217-Y221 WeakPolarHBondContact O-CD2 3.47Å; L217-Y221 WeakPolarHBondContact O-CE2 3.38Å; L217-Y221 PolarHBondContact O-N 2.72Å; V218-Y221 PolarHBondContact O-N 3.13Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; Y221-N225 VanDerWaalsContact O-CB 3.31Å; Y221-N225 WeakPolarHBondContact O-CB 3.41Å; Y221-N225 PolarHBondContact O-N 3.23Å; Y221-N225 VanDerWaalsContact O-N 3.12Å; Y221-N225 PolarHBondContact O-ND2 3.45Å
222L81.2Confident83.2Confident1 Ų138.3 Ų38.31%0.00519%0.193CC..Hα-helixtrans-65.3-40175-171.371.8000111W68 M115 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.46Å; W68-L222 VanDerWaalsContact CB-CD2 3.46Å; W68-L222 HydrophobicContact CD2-CD1 3.7Å; W68-L222 HydrophobicContact CD2-CD2 3.97Å; W68-L222 HydrophobicContact CD2-CG 4.5Å; W68-L222 HydrophobicContact CE3-CD1 3.83Å; W68-L222 HydrophobicContact CE3-CD2 4.15Å; W68-L222 HydrophobicContact CG-CD1 4.06Å; W68-L222 HydrophobicContact CG-CD2 3.62Å; W68-L222 HydrophobicContact CZ3-CD1 4.3Å; M115-L222 HydrophobicContact SD-CD1 4.19Å; V218-L222 PolarHBondContact O-N 3.37Å; S219-L222 WeakPolarHBondContact O-CB 3.49Å; S219-L222 PolarHBondContact O-N 2.72Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.26Å; L222-N225 PolarHBondContact O-N 2.87Å; L222-T226 HydrophobicContact CD1-CG2 4.2Å; L222-T226 HydrophobicContact CG-CG2 4.24Å; L222-T226 WeakPolarHBondContact O-CB 3.12Å; L222-T226 WeakPolarHBondContact O-CG2 3.3Å; L222-T226 PolarHBondContact O-N 3.28Å; L222-T226 VanDerWaalsContact O-N 3.1Å; L222-T226 PolarHBondContact O-OG1 3.37Å
223H81.3Confident82.7Confident88 Ų8833.8 Ų33.841%0.40718%0.178SC..Hα-helixtrans-61-50.4175.9-174.184.5000111.8M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 3.38Å; M60-H223 PolarHBondContact O-ND1 3.48Å; S219-H223 PolarHBondContact O-N 3.4Å; L220-H223 WeakPolarHBondContact O-CA 3.49Å; L220-H223 WeakPolarHBondContact O-CB 3.2Å; L220-H223 PolarHBondContact O-N 3.26Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; H223-N225 PolarHBondContact O-N 3.43Å; H223-T226 PolarHBondContact O-N 2.9Å; H223-T226 VanDerWaalsContact O-N 3.14Å; H223-T226 PolarHBondContact O-OG1 2.98Å
224D77.6Confident82.1Confident74 Ų7433.1 Ų33.140%0.39617%0.172SC..Hα-helixtrans-61.9-31.1-179.5-65.3-14.4000112.4L220L220-D224 WeakPolarHBondContact CD2-OD2 3.44Å; L220-D224 PolarHBondContact O-N 3.46Å
225N73.1Confident81.7Confident30 Ų3035.7 Ų35.716%0.1619%0.185CC..THydrogen-bonded Turntrans-91.3-1.2179.8-73.9-72.5000114.4G116 Y221 L222 H223G116-N225 WeakPolarHBondContact CA-O 3.38Å; Y221-N225 VanDerWaalsContact O-CB 3.31Å; Y221-N225 WeakPolarHBondContact O-CB 3.41Å; Y221-N225 PolarHBondContact O-N 3.23Å; Y221-N225 VanDerWaalsContact O-N 3.12Å; Y221-N225 PolarHBondContact O-ND2 3.45Å; L222-N225 PolarHBondContact O-N 2.87Å; H223-N225 PolarHBondContact O-N 3.43Å
226T68.3Low81.1Confident35 Ų3538.9 Ų38.922%0.21520%0.202CC..  trans-108.80-178.351.10000115.1M115 K120 L222 H223M115-T226 HydrophobicContact CE-CG2 4.49Å; K120-T226 WeakPolarHBondContact CE-O 3.37Å; K120-T226 PolarHBondContact NZ-O 2.81Å; K120-T226 PolarHBondContact NZ-OXT 3.46Å; L222-T226 HydrophobicContact CD1-CG2 4.2Å; L222-T226 HydrophobicContact CG-CG2 4.24Å; L222-T226 WeakPolarHBondContact O-CB 3.12Å; L222-T226 WeakPolarHBondContact O-CG2 3.3Å; L222-T226 PolarHBondContact O-N 3.28Å; L222-T226 VanDerWaalsContact O-N 3.1Å; L222-T226 PolarHBondContact O-OG1 3.37Å; H223-T226 PolarHBondContact O-N 2.9Å; H223-T226 VanDerWaalsContact O-N 3.14Å; H223-T226 PolarHBondContact O-OG1 2.98Å

Retrieved 226 of 226 residues in 165.2 ms (Link to these results)

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