A0A023QFT6_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A023QFT6, 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
1M55.5Low73.1Confident206 Ų20698.2 Ų98.2100%1.01553%0.53SS*.  0-27.40-74.2173.4101.900113.3E3 N4M1-E3 PolarHBondContact O-N 3.35Å; M1-N4 PolarHBondContact O-N 3.15Å
2N52.8Low74Confident144 Ų14493.3 Ų93.377%0.7751%0.507SS*.Hα-helixtrans-61.4-37.7-177.9-89.218.7000115.8
3E57.7Low75Confident150 Ų15093.8 Ų93.870%0.70152%0.515SS*.Hα-helixtrans-77.1-24.3-176.9-68.5-80.9140.300113.3M1 L5 F6 A7M1-E3 PolarHBondContact O-N 3.35Å; E3-L5 VanDerWaalsContact C-N 3.33Å; E3-L5 PolarHBondContact O-N 3.29Å; E3-F6 PolarHBondContact O-N 3.34Å; E3-A7 PolarHBondContact O-N 3.43Å
4N73.9Confident75.8Confident117 Ų11795.1 Ų95.163%0.62652%0.519SS*.Hα-helixtrans-71.7-28.5-170.8-675.9000112.7M1M1-N4 PolarHBondContact O-N 3.15Å
5L75Confident76.4Confident45 Ų45100.3 Ų100.324%0.23655%0.545CS..Hα-helixtrans-71.1-35.5179.5-67.3177000112.2E3 H172 L173E3-L5 VanDerWaalsContact C-N 3.33Å; E3-L5 PolarHBondContact O-N 3.29Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.37Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.38Å; L5-L173 HydrophobicContact CD1-CD2 4.11Å; L5-L173 HydrophobicContact CD2-CD2 4.45Å
6F81.2Confident76.8Confident117 Ų11798.4 Ų98.451%0.51356%0.556SS.*Hα-helixtrans-93-10.2-177.1-67.1-75.7000113.6E3 S8 F9 L169E3-F6 PolarHBondContact O-N 3.34Å; F6-S8 PolarHBondContact O-N 3.03Å; F6-S8 VanDerWaalsContact O-N 3.13Å; F6-F9 AromaticContact CD1-CD2 3.99Å; F6-F9 HydrophobicContact CD1-CD2 3.99Å; F6-F9 HydrophobicContact CD1-CE2 4.37Å; F6-F9 PolarHBondContact O-N 3.37Å; F6-L169 HydrophobicContact CD1-CD2 4.38Å; F6-L169 HydrophobicContact CE1-CD1 4.1Å; F6-L169 HydrophobicContact CE1-CD2 4Å; F6-L169 HydrophobicContact CZ-CD2 4.4Å
7A79.3Confident77.3Confident53 Ų53100 Ų10044%0.43856%0.562SS.*G310 helixtrans-54-33.8179.500000113.2E3 F9 I10E3-A7 PolarHBondContact O-N 3.43Å; A7-F9 PolarHBondContact O-N 3.42Å; A7-I10 PolarHBondContact O-N 3.03Å
8S79.7Confident77.7Confident61 Ų6198.7 Ų98.743%0.42756%0.559SS.*G310 helixtrans-69-18.7177.358.80000114.3F6 F92F6-S8 PolarHBondContact O-N 3.03Å; F6-S8 VanDerWaalsContact O-N 3.13Å; S8-F92 WeakPolarHBondContact O-CD2 2.98Å
9F82.2Confident78.1Confident26 Ų2694.5 Ų94.511%0.11454%0.538CS..G310 helixtrans-94.7-9.6178.3-58.4-70.3000112.8F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 AromaticContact CD1-CD2 3.99Å; F6-F9 HydrophobicContact CD1-CD2 3.99Å; F6-F9 HydrophobicContact CD1-CE2 4.37Å; F6-F9 PolarHBondContact O-N 3.37Å; A7-F9 PolarHBondContact O-N 3.42Å; F9-A11 PolarHBondContact O-N 3.44Å; F9-T96 HydrophobicContact CD1-CG2 3.82Å; F9-T96 HydrophobicContact CE1-CG2 3.71Å; F9-Q97 PolarHBondContact O-NE2 2.93Å; F9-T165 HydrophobicContact CD1-CG2 4.44Å; F9-T165 HydrophobicContact CE1-CG2 4.16Å; F9-H168 HydrophobicContact CE1-CB 4.11Å; F9-H168 HydrophobicContact CZ-CB 3.83Å; F9-L169 HydrophobicContact CE2-CD1 4.47Å; F9-L169 HydrophobicContact CE2-CD2 3.71Å; F9-L169 HydrophobicContact CE2-CG 3.78Å; F9-L169 HydrophobicContact CZ-CD2 4.34Å; F9-L169 HydrophobicContact CZ-CG 3.94Å
10I84.4Confident78.5Confident109 Ų10990.8 Ų90.856%0.55952%0.519SS*.SBendtrans-69.5130178.2-58.6175.3000108.5A7 P12A7-I10 PolarHBondContact O-N 3.03Å; I10-P12 WeakPolarHBondContact O-CD 3.4Å
11A83.1Confident78.8Confident52 Ų5290.3 Ų90.343%0.4352%0.518SS..PPolyproline II helixtrans-59.1120.9179.900000110.3F9 T13F9-A11 PolarHBondContact O-N 3.44Å; A11-T13 PolarHBondContact O-N 2.96Å
12P83.6Confident80.2Confident39 Ų3986.4 Ų86.425%0.25350%0.5SS..PPolyproline II helixtrans-71.2127.4-174.126.7-33000110.1I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.4Å; P12-A19 HydrophobicContact CB-CB 4.22Å; P12-A19 HydrophobicContact CG-CB 4.33Å; P12-A19 WeakPolarHBondContact O-CB 3.31Å; P12-A19 PolarHBondContact O-N 2.9Å; P12-I23 HydrophobicContact CG-CD1 3.63Å; P12-F92 HydrophobicContact CG-CB 4.41Å; P12-F92 HydrophobicContact CG-CD1 4.13Å; P12-F92 HydrophobicContact CG-CG 4.11Å
13T86.8Confident81.9Confident101 Ų10182.1 Ų82.162%0.6248%0.476SS*.EExtended strand (participates in β ladder)trans-117.7127.6170.154.10000108.6A11 L17A11-T13 PolarHBondContact O-N 2.96Å; T13-L17 CarbonylContact C-O 3.56Å; T13-L17 VanDerWaalsContact CA-O 3.26Å; T13-L17 WeakPolarHBondContact CA-O 3.47Å
14I86.3Confident83.3Confident111 Ų11177.4 Ų77.457%0.56946%0.456SS*.EExtended strand (participates in β ladder)trans-112.9122.4176.1-65.4172.4000106.4G16 L17 A19I14-G16 PolarHBondContact O-N 3.29Å; I14-G16 VanDerWaalsContact O-N 3.13Å; I14-L17 PolarHBondContact N-O 3.11Å; I14-L17 PolarHBondContact O-N 3.18Å; I14-A19 HydrophobicContact CB-CB 4.45Å; I14-A19 HydrophobicContact CD1-CB 3.85Å; I14-A19 HydrophobicContact CG1-CB 3.94Å
15L84.6Confident83.9Confident173 Ų17377.4 Ų77.491%0.90646%0.455SS*.THydrogen-bonded Turntrans53.233.2-179.5-81.6129.2000113.7L17L15-L17 PolarHBondContact O-N 3.06Å
16G83.7Confident84.6Confident70 Ų7079.5 Ų79.572%0.72246%0.462SS*.THydrogen-bonded Turntrans78.8-2.1-177.900000115.2I14I14-G16 PolarHBondContact O-N 3.29Å; I14-G16 VanDerWaalsContact O-N 3.13Å
17L84.4Confident84.9Confident126 Ų12674 Ų7466%0.6644%0.439SS*.EExtended strand (participates in β ladder)trans-92.8140.4172.6-66.4170000110.9T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.56Å; T13-L17 VanDerWaalsContact CA-O 3.26Å; T13-L17 WeakPolarHBondContact CA-O 3.47Å; I14-L17 PolarHBondContact N-O 3.11Å; I14-L17 PolarHBondContact O-N 3.18Å; L15-L17 PolarHBondContact O-N 3.06Å; L17-A19 PolarHBondContact O-N 2.89Å
18P84.8Confident85.1Confident77 Ų7774.9 Ų74.950%0.544%0.44SS..EExtended strand (participates in β ladder)trans-70.9101.8177.829-33.3000110.6A20 V21P18-A20 PolarHBondContact O-N 3.47Å; P18-V21 HydrophobicContact CB-CG2 4.5Å; P18-V21 HydrophobicContact CG-CG2 4.25Å; P18-V21 PolarHBondContact O-N 2.86Å
19A85.3Confident85.5Confident19 Ų1978.5 Ų78.516%0.15745%0.453CS..THydrogen-bonded Turntrans-68.3-17.3176.900000112.3P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.22Å; P12-A19 HydrophobicContact CG-CB 4.33Å; P12-A19 WeakPolarHBondContact O-CB 3.31Å; P12-A19 PolarHBondContact O-N 2.9Å; I14-A19 HydrophobicContact CB-CB 4.45Å; I14-A19 HydrophobicContact CD1-CB 3.85Å; I14-A19 HydrophobicContact CG1-CB 3.94Å; L17-A19 PolarHBondContact O-N 2.89Å; A19-V21 PolarHBondContact O-N 3.24Å; A19-L22 WeakPolarHBondContact O-CB 3.22Å; A19-L22 PolarHBondContact O-N 3.31Å; A19-L22 VanDerWaalsContact O-N 3.08Å; A19-I23 PolarHBondContact O-N 3.45Å
20A85.3Confident85.8Confident19 Ų1981 Ų8116%0.15747%0.467CS..Hα-helixtrans-53.4-33.517400000113.2P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 3.47Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3.1Å; A20-I23 PolarHBondContact O-N 2.96Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.44Å; A20-I24 PolarHBondContact O-N 3.29Å; A20-F92 HydrophobicContact CB-CE1 4.38Å
21V85Confident85.9Confident82 Ų8278.3 Ų78.350%0.49745%0.454SS..Hα-helixtrans-63.3-42.1178.61800000111.1P18 A19 I23 I24 L25P18-V21 HydrophobicContact CB-CG2 4.5Å; P18-V21 HydrophobicContact CG-CG2 4.25Å; P18-V21 PolarHBondContact O-N 2.86Å; A19-V21 PolarHBondContact O-N 3.24Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.43Å; V21-I24 PolarHBondContact O-N 3.42Å; V21-L25 HydrophobicContact CG1-CD1 4.14Å; V21-L25 WeakPolarHBondContact O-CG 3.46Å; V21-L25 PolarHBondContact O-N 3.02Å; V21-L25 VanDerWaalsContact O-N 3.08Å
22L86Confident86.1Confident124 Ų12478.7 Ų78.765%0.64945%0.452SS*.Hα-helixtrans-66-38.4178.8-166.8147.9000111A19 A20 L25 F26A19-L22 WeakPolarHBondContact O-CB 3.22Å; A19-L22 PolarHBondContact O-N 3.31Å; A19-L22 VanDerWaalsContact O-N 3.08Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3.1Å; L22-L25 PolarHBondContact O-N 3.18Å; L22-F26 PolarHBondContact O-N 3.31Å
23I87.3Confident86.3Confident53 Ų5383.4 Ų83.427%0.27248%0.48SS..Hα-helixtrans-66.3-41.6177.2-58.9171.4000110.9P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.63Å; A19-I23 PolarHBondContact O-N 3.45Å; A20-I23 PolarHBondContact O-N 2.96Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.43Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.38Å; I23-F26 WeakPolarHBondContact O-CB 3.44Å; I23-F26 PolarHBondContact O-N 3.11Å; I23-P27 VanDerWaalsContact O-CD 3.29Å; I23-P27 WeakPolarHBondContact O-CD 2.92Å; I23-F92 HydrophobicContact CD1-CB 4.03Å; I23-F92 HydrophobicContact CD1-CD1 3.89Å; I23-F92 HydrophobicContact CD1-CG 4.34Å; I23-F92 HydrophobicContact CG2-CD1 4.44Å
24I87.8Confident86.3Confident52 Ų5280.3 Ų80.327%0.26746%0.463SS..Hα-helixtrans-65.2-32.2176.8-68.4163.7000111.8A20 V21 F26 P27 F78 P94 M100A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.44Å; A20-I24 PolarHBondContact O-N 3.29Å; V21-I24 PolarHBondContact O-N 3.42Å; I24-F26 VanDerWaalsContact C-N 3.34Å; I24-P27 WeakPolarHBondContact O-CD 3.44Å; I24-F78 HydrophobicContact CG2-CZ 4.31Å; I24-P94 HydrophobicContact CD1-CB 4.3Å; I24-P94 HydrophobicContact CG1-CB 3.73Å; I24-P94 HydrophobicContact CG1-CG 4.08Å; I24-M100 HydrophobicContact CD1-SD 4.4Å; I24-M100 HydrophobicContact CG2-CE 4.36Å
25L86.8Confident86.3Confident116 Ų11685.1 Ų85.161%0.60748%0.479SS*.Hα-helixtrans-81.2-11178-71.3171.8000114V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.14Å; V21-L25 WeakPolarHBondContact O-CG 3.46Å; V21-L25 PolarHBondContact O-N 3.02Å; V21-L25 VanDerWaalsContact O-N 3.08Å; L22-L25 PolarHBondContact O-N 3.18Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.38Å; L25-P28 WeakPolarHBondContact O-CD 3.04Å
26F88.5Confident86.4Confident90 Ų9085.5 Ų85.540%0.39547%0.47SS..Hα-helixtrans-68.9-44.8-177.6-168.7-99000115L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 3.31Å; I23-F26 WeakPolarHBondContact O-CB 3.44Å; I23-F26 PolarHBondContact O-N 3.11Å; I24-F26 VanDerWaalsContact C-N 3.34Å; F26-L29 VanDerWaalsContact O-CB 3.3Å; F26-L29 WeakPolarHBondContact O-CB 3.22Å; F26-L29 PolarHBondContact O-N 3.41Å; F26-L30 HydrophobicContact CE1-CD1 4.24Å; F26-L30 HydrophobicContact CE1-CD2 4.13Å; F26-L30 HydrophobicContact CE1-CG 4.27Å; F26-L30 HydrophobicContact CZ-CD2 4.42Å; F26-L85 HydrophobicContact CD1-CD1 4.25Å; F26-L85 HydrophobicContact CD1-CD2 3.71Å; F26-L85 HydrophobicContact CE1-CD2 3.61Å
27P88.3Confident86.3Confident2 Ų290.6 Ų90.61%0.01348%0.48CS..Hα-helixtrans-57.1-42-178.8-10.313.5000115.2I23 I24 L29 L30 T81 T82 L85I23-P27 VanDerWaalsContact O-CD 3.29Å; I23-P27 WeakPolarHBondContact O-CD 2.92Å; I24-P27 WeakPolarHBondContact O-CD 3.44Å; P27-L29 PolarHBondContact O-N 3.39Å; P27-L30 WeakPolarHBondContact O-CB 3.26Å; P27-L30 PolarHBondContact O-N 2.98Å; P27-L30 VanDerWaalsContact O-N 3.07Å; P27-T81 WeakPolarHBondContact CB-OG1 3.49Å; P27-T82 HydrophobicContact CB-CG2 4.18Å; P27-T82 HydrophobicContact CG-CG2 3.38Å; P27-L85 HydrophobicContact CB-CD1 3.86Å; P27-L85 HydrophobicContact CG-CD1 4.01Å
28P84.4Confident86.4Confident71 Ų7192 Ų9246%0.46149%0.487SS..Hα-helixtrans-55.5-33.5173.7-27.333000114.2L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.04Å; P28-L30 PolarHBondContact O-N 2.85Å; P28-I31 PolarHBondContact O-N 3.05Å
29L87.6Confident86.7Confident136 Ų13689.5 Ų89.571%0.71247%0.469SS*.Hα-helixtrans-67-25.3179.4-172.265.4000112.5F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.3Å; F26-L29 WeakPolarHBondContact O-CB 3.22Å; F26-L29 PolarHBondContact O-N 3.41Å; P27-L29 PolarHBondContact O-N 3.39Å; L29-I31 PolarHBondContact O-N 3.36Å
30L87.3Confident86.9Confident78 Ų7894 Ų9441%0.40849%0.491SS..THydrogen-bonded Turntrans-74.5-6178.4-63.1178.3000113.7F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CE1-CD1 4.24Å; F26-L30 HydrophobicContact CE1-CD2 4.13Å; F26-L30 HydrophobicContact CE1-CG 4.27Å; F26-L30 HydrophobicContact CZ-CD2 4.42Å; P27-L30 WeakPolarHBondContact O-CB 3.26Å; P27-L30 PolarHBondContact O-N 2.98Å; P27-L30 VanDerWaalsContact O-N 3.07Å; P28-L30 PolarHBondContact O-N 2.85Å; L30-P32 VanDerWaalsContact C-CD 3.41Å; L30-P32 WeakPolarHBondContact O-CD 3.45Å; L30-Q46 PolarHBondContact O-NE2 3.41Å; L30-L85 HydrophobicContact CD1-CD1 3.47Å; L30-L85 VanDerWaalsContact CD1-CD1 3.47Å; L30-L85 HydrophobicContact CD1-CD2 4Å; L30-L85 HydrophobicContact CD1-CG 3.98Å
31I88Confident87.2Confident53 Ų53103.1 Ų103.127%0.27252%0.521SS..SBendtrans-110.380.5-177.4-54158.8000108.5P28 L29 I77P28-I31 PolarHBondContact O-N 3.05Å; L29-I31 PolarHBondContact O-N 3.36Å; I31-I77 HydrophobicContact CD1-CG2 3.33Å; I31-I77 HydrophobicContact CG1-CG2 4.39Å
32P86.9Confident87.4Confident60 Ų60103.3 Ų103.339%0.3952%0.519SS..  trans-69135.2179.627.6-33.7000111L30 L42 I43L30-P32 VanDerWaalsContact C-CD 3.41Å; L30-P32 WeakPolarHBondContact O-CD 3.45Å; P32-L42 HydrophobicContact CG-CD2 3.62Å; P32-I43 HydrophobicContact CB-CD1 4.42Å; P32-I43 HydrophobicContact CG-CD1 4.38Å; P32-I43 HydrophobicContact CG-CG1 4Å
33T87.1Confident87.7Confident138 Ų13898.4 Ų98.485%0.84749%0.493SS*.  trans-99.2132171.659.60000110.3
34S87.5Confident87.9Confident37 Ų3798.9 Ų98.926%0.25950%0.498SS..  trans-110.4145.9171.3170.40000111Y36 N39S34-Y36 PolarHBondContact OG-N 2.95Å; S34-N39 WeakPolarHBondContact CB-OD1 3.27Å; S34-N39 PolarHBondContact OG-OD1 3.37Å
35K86.2Confident88.1Confident211 Ų211100.5 Ų100.592%0.91751%0.511SS*.  trans-86.9-13.5173.6-63.1-178.8-178.9178.30113.1
36Y87.4Confident88.3Confident182 Ų18297.1 Ų97.171%0.71449%0.492SS*.SBendtrans-81.6154.3-175.4-59.5-74.4000112.1S34 N39S34-Y36 PolarHBondContact OG-N 2.95Å; Y36-N39 PolarHBondContact O-ND2 3.14Å; Y36-N39 PolarHBondContact O-OD1 2.95Å
37L80.7Confident88.4Confident177 Ų17797.5 Ų97.593%0.92750%0.495SS*.SBendtrans-72.2-40.7176.3-171.374.4000111.4
38I87.3Confident88.6Confident156 Ų156105.5 Ų105.580%0.853%0.525SS*.SBendtrans-100.7112.3175.2-58.9170.7000107.4
39N89.8Confident88.9Confident24 Ų24106.8 Ų106.813%0.12853%0.527CS..  trans-108.5167.7-173.9-71.4-24000112.5S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.27Å; S34-N39 PolarHBondContact OG-OD1 3.37Å; Y36-N39 PolarHBondContact O-ND2 3.14Å; Y36-N39 PolarHBondContact O-OD1 2.95Å; N39-I43 HydrophobicContact CB-CB 3.89Å; N39-I43 HydrophobicContact CB-CG2 3.75Å; N39-T44 HydrophobicContact CB-CG2 4.1Å; N39-Q47 PolarHBondContact ND2-NE2 2.83Å
40N90.8Very high89.1Confident114 Ų114103.1 Ų103.161%0.6151%0.508SS*.  trans-62152.9172.3-1660.6000111L42 I43 T44N40-L42 PolarHBondContact O-N 3.47Å; N40-L42 VanDerWaalsContact O-N 3.11Å; N40-I43 PolarHBondContact O-N 3.28Å; N40-T44 PolarHBondContact O-N 3.05Å
41R90.1Very high89.3Confident210 Ų210106.7 Ų106.779%0.79252%0.52SS*.Hα-helixtrans-52-36.2-178.5-63.6-178.3-179.4-179.60.3113.2T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.42Å; R41-T44 PolarHBondContact O-OG1 2.98Å; R41-T45 VanDerWaalsContact O-CG2 3.32Å; R41-T45 WeakPolarHBondContact O-CG2 3.12Å; R41-T45 PolarHBondContact O-N 3.33Å; R41-T45 PolarHBondContact O-OG1 2.93Å
42L90.3Very high89.5Confident86 Ų86107.3 Ų107.345%0.4552%0.524SS..Hα-helixtrans-66.6-44177.2-173.9152.3000111.4P32 N40 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.62Å; N40-L42 PolarHBondContact O-N 3.47Å; N40-L42 VanDerWaalsContact O-N 3.11Å; L42-T45 PolarHBondContact O-OG1 2.99Å; L42-Q46 VanDerWaalsContact CD2-CD 3.44Å; L42-Q46 HydrophobicContact CD2-CG 4.3Å; L42-Q46 WeakPolarHBondContact O-CB 3.33Å; L42-Q46 VanDerWaalsContact O-CG 3.25Å; L42-Q46 WeakPolarHBondContact O-CG 3.41Å; L42-Q46 PolarHBondContact O-N 3.45Å
43I92Very high89.5Confident20 Ų20105.6 Ų105.610%0.10351%0.512CS..Hα-helixtrans-70.7-37.3179.7-60.8175.4000110.5P32 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.42Å; P32-I43 HydrophobicContact CG-CD1 4.38Å; P32-I43 HydrophobicContact CG-CG1 4Å; N39-I43 HydrophobicContact CB-CB 3.89Å; N39-I43 HydrophobicContact CB-CG2 3.75Å; N40-I43 PolarHBondContact O-N 3.28Å; I43-Q46 PolarHBondContact O-N 3.28Å; I43-Q47 HydrophobicContact CG2-CG 4.27Å; I43-Q47 WeakPolarHBondContact O-CB 3.3Å; I43-Q47 VanDerWaalsContact O-CG 3.25Å; I43-Q47 WeakPolarHBondContact O-CG 3.33Å; I43-Q47 PolarHBondContact O-N 3.34Å
44T92Very high89.7Confident63 Ų63100.6 Ų100.639%0.38748%0.482SS..Hα-helixtrans-67-41.3177.8590000112N39 N40 R41 Q47 W48N39-T44 HydrophobicContact CB-CG2 4.1Å; N40-T44 PolarHBondContact O-N 3.05Å; R41-T44 WeakPolarHBondContact CA-OG1 3.42Å; R41-T44 PolarHBondContact O-OG1 2.98Å; T44-Q47 PolarHBondContact O-N 3.43Å; T44-W48 VanDerWaalsContact O-CB 3.32Å; T44-W48 WeakPolarHBondContact O-CB 3.19Å; T44-W48 PolarHBondContact O-N 3.29Å
45T91.5Very high89.7Confident87 Ų87106 Ų10653%0.53450%0.501SS..Hα-helixtrans-65.9-40.7174.750.30000111.8R41 L42 W48 L49R41-T45 VanDerWaalsContact O-CG2 3.32Å; R41-T45 WeakPolarHBondContact O-CG2 3.12Å; R41-T45 PolarHBondContact O-N 3.33Å; R41-T45 PolarHBondContact O-OG1 2.93Å; L42-T45 PolarHBondContact O-OG1 2.99Å; T45-W48 PolarHBondContact O-N 2.97Å; T45-L49 WeakPolarHBondContact O-CB 3.35Å; T45-L49 PolarHBondContact O-N 3.44Å
46Q91.3Very high89.8Confident45 Ų45102 Ų10221%0.2149%0.486CS..Hα-helixtrans-60.5-50.5172.7-76.1176.5-18.100112.1L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 3.41Å; L42-Q46 VanDerWaalsContact CD2-CD 3.44Å; L42-Q46 HydrophobicContact CD2-CG 4.3Å; L42-Q46 WeakPolarHBondContact O-CB 3.33Å; L42-Q46 VanDerWaalsContact O-CG 3.25Å; L42-Q46 WeakPolarHBondContact O-CG 3.41Å; L42-Q46 PolarHBondContact O-N 3.45Å; I43-Q46 PolarHBondContact O-N 3.28Å; Q46-W48 VanDerWaalsContact C-N 3.28Å; Q46-W48 PolarHBondContact O-N 3.09Å; Q46-L49 PolarHBondContact O-N 3.16Å; Q46-I50 VanDerWaalsContact O-CG1 3.24Å; Q46-I50 WeakPolarHBondContact O-CG1 3.39Å; Q46-I50 PolarHBondContact O-N 3.3Å
47Q90.6Very high89.7Confident97 Ų9794.1 Ų94.145%0.45346%0.456SS..Hα-helixtrans-60.3-38.6178.2-74.8176-13.800112.1N39 I43 T44 K51N39-Q47 PolarHBondContact ND2-NE2 2.83Å; I43-Q47 HydrophobicContact CG2-CG 4.27Å; I43-Q47 WeakPolarHBondContact O-CB 3.3Å; I43-Q47 VanDerWaalsContact O-CG 3.25Å; I43-Q47 WeakPolarHBondContact O-CG 3.33Å; I43-Q47 PolarHBondContact O-N 3.34Å; T44-Q47 PolarHBondContact O-N 3.43Å; Q47-K51 WeakPolarHBondContact O-CB 3.31Å; Q47-K51 PolarHBondContact O-N 2.96Å
48W92.6Very high89.9Confident171 Ų17186.7 Ų86.765%0.64842%0.417SS*.Hα-helixtrans-64.2-45175.6-177.681.9000111.9T44 T45 Q46 K51 L52T44-W48 VanDerWaalsContact O-CB 3.32Å; T44-W48 WeakPolarHBondContact O-CB 3.19Å; T44-W48 PolarHBondContact O-N 3.29Å; T45-W48 PolarHBondContact O-N 2.97Å; Q46-W48 VanDerWaalsContact C-N 3.28Å; Q46-W48 PolarHBondContact O-N 3.09Å; W48-K51 PolarHBondContact O-N 2.93Å; W48-L52 HydrophobicContact CD2-CD1 3.74Å; W48-L52 HydrophobicContact CD2-CG 4.36Å; W48-L52 HydrophobicContact CE3-CD1 3.73Å; W48-L52 HydrophobicContact CH2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CD1 3.4Å; W48-L52 VanDerWaalsContact CZ2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CG 4.42Å; W48-L52 HydrophobicContact CZ3-CD1 3.55Å; W48-L52 WeakPolarHBondContact O-CG 3.4Å; W48-L52 PolarHBondContact O-N 2.83Å
49L91.1Very high89.8Confident97 Ų9784 Ų8451%0.50841%0.408SS..Hα-helixtrans-64.3-43177.9-162.2154.7000111.6T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.35Å; T45-L49 PolarHBondContact O-N 3.44Å; Q46-L49 PolarHBondContact O-N 3.16Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 2.99Å; L49-L52 PolarHBondContact O-N 3.44Å; L49-T53 HydrophobicContact CD2-CG2 3.95Å; L49-T53 WeakPolarHBondContact O-CG2 3.3Å; L49-T53 PolarHBondContact O-N 3.35Å; L49-T53 PolarHBondContact O-OG1 3.43Å
50I91.4Very high89.2Confident60 Ų6086.6 Ų86.631%0.30843%0.425SS..Hα-helixtrans-60.2-44.8175.1-67169.7000110.7Q46 L52 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.24Å; Q46-I50 WeakPolarHBondContact O-CG1 3.39Å; Q46-I50 PolarHBondContact O-N 3.3Å; I50-L52 PolarHBondContact O-N 3.02Å; I50-T53 WeakPolarHBondContact CA-OG1 3.35Å; I50-T53 PolarHBondContact O-OG1 3.48Å; I50-S54 VanDerWaalsContact O-CB 3.29Å; I50-S54 WeakPolarHBondContact O-CB 3.43Å; I50-S54 PolarHBondContact O-N 2.86Å; I50-S54 PolarHBondContact O-OG 3.14Å; I50-V73 HydrophobicContact CG2-CG1 3.84Å; I50-I77 HydrophobicContact CD1-CD1 4.02Å; I50-I77 HydrophobicContact CG1-CD1 3.73Å
51K91.2Very high88.8Confident152 Ų15281.4 Ų81.466%0.66140%0.397SS*.Hα-helixtrans-64.5-39.5179.3-175.1177.7-178.8178.60112.5Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3.31Å; Q47-K51 PolarHBondContact O-N 2.96Å; W48-K51 PolarHBondContact O-N 2.93Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 2.99Å; K51-S54 PolarHBondContact O-OG 3.47Å; K51-S54 VanDerWaalsContact O-OG 3.08Å; K51-K55 VanDerWaalsContact O-CB 3.22Å; K51-K55 WeakPolarHBondContact O-CB 3.24Å; K51-K55 PolarHBondContact O-N 3.27Å
52L91.4Very high88.4Confident67 Ų6776.3 Ų76.335%0.35139%0.385SS..Hα-helixtrans-66.9-51.1178-75.6178.4000111.7W48 L49 I50 S54 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.74Å; W48-L52 HydrophobicContact CD2-CG 4.36Å; W48-L52 HydrophobicContact CE3-CD1 3.73Å; W48-L52 HydrophobicContact CH2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CD1 3.4Å; W48-L52 VanDerWaalsContact CZ2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CG 4.42Å; W48-L52 HydrophobicContact CZ3-CD1 3.55Å; W48-L52 WeakPolarHBondContact O-CG 3.4Å; W48-L52 PolarHBondContact O-N 2.83Å; L49-L52 PolarHBondContact O-N 3.44Å; I50-L52 PolarHBondContact O-N 3.02Å; L52-S54 PolarHBondContact O-N 3.07Å; L52-K55 PolarHBondContact O-N 3.34Å; L52-Q56 WeakPolarHBondContact O-CG 3.32Å; L52-Q56 PolarHBondContact O-N 3.11Å
53T88.4Confident87.8Confident23 Ų2377.7 Ų77.714%0.14140%0.397CS..Hα-helixtrans-61.2-45.4179.650.50000111.1L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 3.95Å; L49-T53 WeakPolarHBondContact O-CG2 3.3Å; L49-T53 PolarHBondContact O-N 3.35Å; L49-T53 PolarHBondContact O-OG1 3.43Å; I50-T53 WeakPolarHBondContact CA-OG1 3.35Å; I50-T53 PolarHBondContact O-OG1 3.48Å; T53-K55 VanDerWaalsContact C-N 3.34Å; T53-K55 PolarHBondContact O-N 3.24Å; T53-Q56 PolarHBondContact O-N 3.17Å; T53-M57 WeakPolarHBondContact O-CB 3.38Å; T53-M57 VanDerWaalsContact O-CG 3.25Å; T53-M57 WeakPolarHBondContact O-CG 3.48Å; T53-M57 PolarHBondContact O-N 3.29Å
54S89.4Confident87.2Confident33 Ų3382.5 Ų82.523%0.23142%0.417CS..Hα-helixtrans-61.2-43175.972.60000111.5I50 K51 L52 M58I50-S54 VanDerWaalsContact O-CB 3.29Å; I50-S54 WeakPolarHBondContact O-CB 3.43Å; I50-S54 PolarHBondContact O-N 2.86Å; I50-S54 PolarHBondContact O-OG 3.14Å; K51-S54 PolarHBondContact O-OG 3.47Å; K51-S54 VanDerWaalsContact O-OG 3.08Å; L52-S54 PolarHBondContact O-N 3.07Å; S54-M58 VanDerWaalsContact O-CB 3.23Å; S54-M58 WeakPolarHBondContact O-CB 3.41Å; S54-M58 PolarHBondContact O-N 2.81Å
55K89.1Confident86.6Confident151 Ų15179.5 Ų79.566%0.65740%0.399SS*.Hα-helixtrans-63-46.2179.9-176.1-180178.1-175.30111.3K51 L52 T53 T59K51-K55 VanDerWaalsContact O-CB 3.22Å; K51-K55 WeakPolarHBondContact O-CB 3.24Å; K51-K55 PolarHBondContact O-N 3.27Å; L52-K55 PolarHBondContact O-N 3.34Å; T53-K55 VanDerWaalsContact C-N 3.34Å; T53-K55 PolarHBondContact O-N 3.24Å; K55-T59 WeakPolarHBondContact O-CG2 3.39Å; K55-T59 PolarHBondContact O-N 3.4Å
56Q86.9Confident86.2Confident127 Ų12781.7 Ų81.759%0.59340%0.397SS*.Hα-helixtrans-66.8-41.6-179.5-73.6179.7-30.800112.5L52 T53 T59L52-Q56 WeakPolarHBondContact O-CG 3.32Å; L52-Q56 PolarHBondContact O-N 3.11Å; T53-Q56 PolarHBondContact O-N 3.17Å; Q56-T59 PolarHBondContact O-OG1 3.21Å
57M84.8Confident85.9Confident16 Ų1684.4 Ų84.48%0.07942%0.417CS..Hα-helixtrans-68.4-36.9178.3-68.1-119.8164.500111.9T53 T60 H61 I76 Y212 T215T53-M57 WeakPolarHBondContact O-CB 3.38Å; T53-M57 VanDerWaalsContact O-CG 3.25Å; T53-M57 WeakPolarHBondContact O-CG 3.48Å; T53-M57 PolarHBondContact O-N 3.29Å; M57-T60 PolarHBondContact O-OG1 2.78Å; M57-H61 PolarHBondContact O-CD2 3.18Å; M57-I76 HydrophobicContact CE-CD1 4.03Å; M57-Y212 HydrophobicContact CE-CD2 3.92Å; M57-Y212 HydrophobicContact CE-CE2 3.89Å; M57-T215 VanDerWaalsContact CE-OG1 3.23Å; M57-T215 WeakPolarHBondContact CE-OG1 3.32Å
58M85.6Confident85.7Confident22 Ų2282.2 Ų82.211%0.10841%0.405CS..Hα-helixtrans-83.5-10.8-172.4-140.359.648.100115.1S54 T60 H61 R66 S69S54-M58 VanDerWaalsContact O-CB 3.23Å; S54-M58 WeakPolarHBondContact O-CB 3.41Å; S54-M58 PolarHBondContact O-N 2.81Å; M58-T60 PolarHBondContact O-N 3.11Å; M58-H61 PolarHBondContact O-N 3.13Å; M58-H61 HydrophobicContact SD-CB 4.24Å; M58-R66 HydrophobicContact CG-CB 4.17Å; M58-R66 HydrophobicContact CG-CG 3.59Å; M58-R66 VanDerWaalsContact SD-CA 3.57Å; M58-R66 HydrophobicContact SD-CB 3.91Å; M58-R66 HydrophobicContact SD-CG 3.77Å; M58-S69 WeakPolarHBondContact CE-OG 3.4Å
59T84.7Confident85.5Confident99 Ų9975.7 Ų75.761%0.60739%0.385SS*.THydrogen-bonded Turntrans-64-31.5-17953.60000112.2K55 Q56K55-T59 WeakPolarHBondContact O-CG2 3.39Å; K55-T59 PolarHBondContact O-N 3.4Å; Q56-T59 PolarHBondContact O-OG1 3.21Å
60T78.9Confident85.5Confident79 Ų7977.9 Ų77.949%0.48540%0.397SS..THydrogen-bonded Turntrans-84.3-9.5-178.658.60000113.2M57 M58 H223M57-T60 PolarHBondContact O-OG1 2.78Å; M58-T60 PolarHBondContact O-N 3.11Å; T60-H223 PolarHBondContact O-CE1 3.29Å; T60-H223 PolarHBondContact O-ND1 3.49Å
61H82.1Confident85.4Confident5 Ų578.1 Ų78.12%0.02340%0.397CS..  trans-102.8137.7-169.8-81-67.1000114.9M57 M58 R66 S219M57-H61 PolarHBondContact O-CD2 3.18Å; M58-H61 PolarHBondContact O-N 3.13Å; M58-H61 HydrophobicContact SD-CB 4.24Å; H61-R66 HydrophobicContact CB-CG 4.38Å; H61-R66 PolarHBondContact O-NE 2.91Å; H61-S219 PolarHBondContact CE1-O 2.98Å; H61-S219 PolarHBondContact NE2-O 3.13Å; H61-S219 PolarHBondContact NE2-OG 3.07Å
62N80Confident85.4Confident103 Ų10371 Ų7155%0.55137%0.367SS*.  trans-70.9165.2167.8-80.8-21000112K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.25Å; N62-K64 PolarHBondContact O-N 3.23Å; N62-K64 VanDerWaalsContact O-N 3.11Å; N62-G65 WeakPolarHBondContact O-CA 3.01Å; N62-G65 PolarHBondContact O-N 2.95Å; N62-R66 WeakPolarHBondContact O-CG 3.49Å; N62-R66 PolarHBondContact O-N 3.36Å
63T79.7Confident85.4Confident115 Ų11568.7 Ų68.771%0.70636%0.355SS*.THydrogen-bonded Turntrans-52.2-37.2-174.854.20000114.3R66T63-R66 PolarHBondContact O-N 2.78Å
64K78.8Confident85.5Confident120 Ų12070.7 Ų70.752%0.52237%0.37SS..THydrogen-bonded Turntrans-67.1-44.8174.2-69-177.6-178.6175.70112.3N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.25Å; N62-K64 PolarHBondContact O-N 3.23Å; N62-K64 VanDerWaalsContact O-N 3.11Å; K64-R66 PolarHBondContact O-N 3.45Å; K64-T67 WeakPolarHBondContact O-CB 3.17Å; K64-T67 PolarHBondContact O-N 2.78Å; K64-T67 PolarHBondContact O-OG1 3.08Å
65G78.1Confident85.6Confident0 Ų070 Ų700%036%0.364CS..G310 helixtrans-62.3-31.7175.700000112.6N62 T67 W68N62-G65 WeakPolarHBondContact O-CA 3.01Å; N62-G65 PolarHBondContact O-N 2.95Å; G65-T67 PolarHBondContact O-N 3.17Å; G65-T67 VanDerWaalsContact O-N 3.13Å; G65-W68 PolarHBondContact O-N 3.39Å
66R83.3Confident85.7Confident133 Ų13363.8 Ų63.850%0.50234%0.337SS..G310 helixtrans-62.6-21.2176.9-56.9-161.9178167.3-2.9114.6M58 H61 N62 T63 K64 W68 S69M58-R66 HydrophobicContact CG-CB 4.17Å; M58-R66 HydrophobicContact CG-CG 3.59Å; M58-R66 VanDerWaalsContact SD-CA 3.57Å; M58-R66 HydrophobicContact SD-CB 3.91Å; M58-R66 HydrophobicContact SD-CG 3.77Å; H61-R66 HydrophobicContact CB-CG 4.38Å; H61-R66 PolarHBondContact O-NE 2.91Å; N62-R66 WeakPolarHBondContact O-CG 3.49Å; N62-R66 PolarHBondContact O-N 3.36Å; T63-R66 PolarHBondContact O-N 2.78Å; K64-R66 PolarHBondContact O-N 3.45Å; R66-W68 PolarHBondContact O-N 3.06Å; R66-S69 WeakPolarHBondContact O-CB 3.2Å; R66-S69 PolarHBondContact O-N 3.33Å; R66-S69 VanDerWaalsContact O-N 3.13Å
67T86.3Confident85.9Confident103 Ų10359.4 Ų59.463%0.63232%0.318SS*.G310 helixtrans-64.4-25.7175.362.80000112.4K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.17Å; K64-T67 PolarHBondContact O-N 2.78Å; K64-T67 PolarHBondContact O-OG1 3.08Å; G65-T67 PolarHBondContact O-N 3.17Å; G65-T67 VanDerWaalsContact O-N 3.13Å; T67-S69 VanDerWaalsContact C-N 3.27Å; T67-S69 PolarHBondContact O-N 3.37Å
68W86.6Confident86.1Confident50 Ų5060.9 Ų60.919%0.18932%0.324CS..G310 helixtrans-84.61.2177.6-74.253.2000113.4G65 R66 L70 M71 L72 M115 L222G65-W68 PolarHBondContact O-N 3.39Å; R66-W68 PolarHBondContact O-N 3.06Å; W68-L70 VanDerWaalsContact C-N 3.3Å; W68-L70 PolarHBondContact O-N 3.34Å; W68-M71 HydrophobicContact CD2-CE 3.95Å; W68-M71 HydrophobicContact CE3-CE 3.03Å; W68-M71 HydrophobicContact CH2-CE 4.08Å; W68-M71 HydrophobicContact CZ3-CE 3.12Å; W68-M71 HydrophobicContact CZ3-SD 4.46Å; W68-M71 PolarHBondContact O-N 3.48Å; W68-L72 PolarHBondContact O-N 2.93Å; W68-M115 HydrophobicContact CZ2-SD 3.93Å; W68-M115 PolarHBondContact NE1-SD 3.27Å; W68-L222 HydrophobicContact CB-CD2 3.58Å; W68-L222 HydrophobicContact CD2-CD1 3.48Å; W68-L222 VanDerWaalsContact CD2-CD1 3.48Å; W68-L222 HydrophobicContact CD2-CD2 4.22Å; W68-L222 HydrophobicContact CE3-CD1 3.55Å; W68-L222 HydrophobicContact CE3-CD2 4.49Å; W68-L222 HydrophobicContact CG-CD1 3.85Å; W68-L222 HydrophobicContact CG-CD2 3.77Å; W68-L222 HydrophobicContact CG-CG 4.48Å; W68-L222 HydrophobicContact CZ2-CD1 4.4Å; W68-L222 HydrophobicContact CZ3-CD1 4.08Å
69S87.5Confident86.4Confident34 Ų3459.9 Ų59.924%0.23832%0.319CS..Hα-helixtrans-50.9-48.4-179.61740000113.2M58 R66 T67 M71 L72 V73M58-S69 WeakPolarHBondContact CE-OG 3.4Å; R66-S69 WeakPolarHBondContact O-CB 3.2Å; R66-S69 PolarHBondContact O-N 3.33Å; R66-S69 VanDerWaalsContact O-N 3.13Å; T67-S69 VanDerWaalsContact C-N 3.27Å; T67-S69 PolarHBondContact O-N 3.37Å; S69-M71 PolarHBondContact O-N 3.41Å; S69-L72 PolarHBondContact O-N 2.88Å; S69-V73 WeakPolarHBondContact O-CB 3.44Å; S69-V73 VanDerWaalsContact O-CG2 3.27Å; S69-V73 WeakPolarHBondContact O-CG2 3.22Å; S69-V73 PolarHBondContact O-N 3.05Å
70L90.9Very high86.6Confident144 Ų14456.6 Ų56.675%0.75430%0.302SS*.Hα-helixtrans-59.1-41.3-178.3-175.370.1000111.3W68 S74W68-L70 VanDerWaalsContact C-N 3.3Å; W68-L70 PolarHBondContact O-N 3.34Å; L70-S74 WeakPolarHBondContact O-CB 3.37Å; L70-S74 PolarHBondContact O-N 3.21Å; L70-S74 PolarHBondContact O-OG 3.35Å
71M90.8Very high87.2Confident64 Ų6454.3 Ų54.332%0.31529%0.288SS..Hα-helixtrans-72.4-41.6-178-167.1178.569.200112.1W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 3.95Å; W68-M71 HydrophobicContact CE3-CE 3.03Å; W68-M71 HydrophobicContact CH2-CE 4.08Å; W68-M71 HydrophobicContact CZ3-CE 3.12Å; W68-M71 HydrophobicContact CZ3-SD 4.46Å; W68-M71 PolarHBondContact O-N 3.48Å; S69-M71 PolarHBondContact O-N 3.41Å; M71-V73 VanDerWaalsContact C-N 3.32Å; M71-V73 PolarHBondContact O-N 2.64Å; M71-S74 PolarHBondContact O-N 3.13Å; M71-S74 PolarHBondContact O-OG 2.87Å; M71-L75 WeakPolarHBondContact O-CB 3.21Å; M71-L75 PolarHBondContact O-N 3.38Å; M71-L108 HydrophobicContact CE-CD2 3.28Å; M71-L108 HydrophobicContact CG-CD2 4.2Å; M71-L108 HydrophobicContact SD-CD2 3.5Å; M71-L108 WeakPolarHBondContact SD-CD2 3.32Å
72L90.1Very high87.6Confident3 Ų354.3 Ų54.32%0.01629%0.288CS..Hα-helixtrans-63.9-40.7176.9-68.3172.9000111.5W68 S69 L75 I76 V218W68-L72 PolarHBondContact O-N 2.93Å; S69-L72 PolarHBondContact O-N 2.88Å; L72-L75 PolarHBondContact O-N 3.48Å; L72-I76 PolarHBondContact O-N 3.3Å; L72-V218 HydrophobicContact CD2-CB 4.25Å; L72-V218 HydrophobicContact CD2-CG1 3.88Å
73V91.2Very high88.1Confident18 Ų1849.5 Ų49.511%0.10926%0.263CS..Hα-helixtrans-69.9-42.6178.41730000111.5I50 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.84Å; S69-V73 WeakPolarHBondContact O-CB 3.44Å; S69-V73 VanDerWaalsContact O-CG2 3.27Å; S69-V73 WeakPolarHBondContact O-CG2 3.22Å; S69-V73 PolarHBondContact O-N 3.05Å; M71-V73 VanDerWaalsContact C-N 3.32Å; M71-V73 PolarHBondContact O-N 2.64Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 2.96Å; V73-I76 VanDerWaalsContact O-CG2 3.31Å; V73-I76 WeakPolarHBondContact O-CG2 3.41Å; V73-I77 HydrophobicContact CG1-CD1 3.79Å; V73-I77 VanDerWaalsContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CD1 3.19Å; V73-I77 WeakPolarHBondContact O-CG1 3.38Å; V73-I77 PolarHBondContact O-N 3.44Å
74S91.3Very high88.5Confident66 Ų6648.9 Ų48.946%0.46225%0.254SS..Hα-helixtrans-64.2-38.3176.365.30000111.6L70 M71 F78L70-S74 WeakPolarHBondContact O-CB 3.37Å; L70-S74 PolarHBondContact O-N 3.21Å; L70-S74 PolarHBondContact O-OG 3.35Å; M71-S74 PolarHBondContact O-N 3.13Å; M71-S74 PolarHBondContact O-OG 2.87Å; S74-F78 VanDerWaalsContact O-CB 3.3Å; S74-F78 WeakPolarHBondContact O-CB 3.38Å; S74-F78 PolarHBondContact O-N 3.13Å
75L90.4Very high89.1Confident18 Ų1844.9 Ų44.99%0.09424%0.238CC..Hα-helixtrans-64.9-47.8179.4-170.595.7000112.6M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 WeakPolarHBondContact O-CB 3.21Å; M71-L75 PolarHBondContact O-N 3.38Å; L72-L75 PolarHBondContact O-N 3.48Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 2.96Å; L75-I77 VanDerWaalsContact C-N 3.29Å; L75-I77 PolarHBondContact O-N 3.37Å; L75-F78 PolarHBondContact O-N 3.31Å; L75-I79 HydrophobicContact CD1-CD1 4.39Å; L75-I79 HydrophobicContact CD2-CD1 4.08Å; L75-I79 HydrophobicContact CG-CD1 3.86Å; L75-I79 WeakPolarHBondContact O-CG1 3.5Å; L75-I79 PolarHBondContact O-N 3.36Å; L75-L108 HydrophobicContact CD1-CD1 3.35Å; L75-L108 HydrophobicContact CD2-CD1 4.04Å; L75-L108 HydrophobicContact CG-CD1 4.35Å; L75-F214 HydrophobicContact CD1-CE1 4.36Å; L75-F214 HydrophobicContact CD2-CD1 3.56Å; L75-F214 HydrophobicContact CD2-CE1 3.48Å; L75-F214 VanDerWaalsContact CD2-CE1 3.48Å; L75-F214 HydrophobicContact CG-CE1 4.34Å; L75-T215 HydrophobicContact CB-CG2 4.31Å; L75-T215 HydrophobicContact CD2-CG2 3.41Å; L75-T215 VanDerWaalsContact CD2-CG2 3.41Å; L75-T215 HydrophobicContact CG-CG2 4.1Å
76I90.9Very high89.4Confident20 Ų2044.9 Ų44.910%0.10324%0.239CC..Hα-helixtrans-62.7-40.7-179.9-166.8170.3000111M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CD1 4.03Å; L72-I76 PolarHBondContact O-N 3.3Å; V73-I76 VanDerWaalsContact O-CG2 3.31Å; V73-I76 WeakPolarHBondContact O-CG2 3.41Å; I76-A80 WeakPolarHBondContact O-CB 3.06Å; I76-A80 PolarHBondContact O-N 3.26Å; I76-A211 HydrophobicContact CG1-CB 4.47Å; I76-Y212 HydrophobicContact CD1-CD2 4.21Å; I76-T215 VanDerWaalsContact CA-CG2 3.46Å; I76-T215 HydrophobicContact CB-CG2 3.46Å; I76-T215 VanDerWaalsContact CB-CG2 3.46Å; I76-T215 HydrophobicContact CG1-CG2 3.98Å
77I91.3Very high89.6Confident35 Ų3540.3 Ų40.318%0.17922%0.224CC..Hα-helixtrans-66.6-42.6178.7-63.8165.6000110.3I31 I50 V73 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.33Å; I31-I77 HydrophobicContact CG1-CG2 4.39Å; I50-I77 HydrophobicContact CD1-CD1 4.02Å; I50-I77 HydrophobicContact CG1-CD1 3.73Å; V73-I77 HydrophobicContact CG1-CD1 3.79Å; V73-I77 VanDerWaalsContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CD1 3.19Å; V73-I77 WeakPolarHBondContact O-CG1 3.38Å; V73-I77 PolarHBondContact O-N 3.44Å; L75-I77 VanDerWaalsContact C-N 3.29Å; L75-I77 PolarHBondContact O-N 3.37Å; I77-T81 HydrophobicContact CG2-CG2 4.29Å; I77-T81 WeakPolarHBondContact O-CB 3.45Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.3Å; I77-T81 PolarHBondContact O-N 2.94Å; I77-T81 PolarHBondContact O-OG1 2.99Å
78F90.6Very high89.6Confident48 Ų4840 Ų4021%0.21122%0.218CC..Hα-helixtrans-62.8-49.4178.7179.6-102.7000112.4I24 S74 L75 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.31Å; S74-F78 VanDerWaalsContact O-CB 3.3Å; S74-F78 WeakPolarHBondContact O-CB 3.38Å; S74-F78 PolarHBondContact O-N 3.13Å; L75-F78 PolarHBondContact O-N 3.31Å; F78-T81 PolarHBondContact O-OG1 3.22Å; F78-T81 VanDerWaalsContact O-OG1 3.11Å; F78-T82 HydrophobicContact CD2-CG2 4.3Å; F78-T82 HydrophobicContact CE1-CG2 4.23Å; F78-T82 HydrophobicContact CE2-CG2 3.91Å; F78-T82 HydrophobicContact CZ-CG2 3.87Å; F78-T82 WeakPolarHBondContact O-CB 3.31Å; F78-T82 VanDerWaalsContact O-CG2 3.32Å; F78-T82 WeakPolarHBondContact O-CG2 3.15Å; F78-T82 PolarHBondContact O-N 3.22Å; F78-T82 PolarHBondContact O-OG1 3.05Å; F78-M100 HydrophobicContact CE1-CE 3.84Å; F78-M100 HydrophobicContact CZ-CE 3.81Å; F78-M104 HydrophobicContact CD1-SD 3.9Å; F78-M104 HydrophobicContact CE1-CE 4.19Å; F78-M104 HydrophobicContact CE1-SD 3.6Å
79I90.6Very high89.4Confident0 Ų043 Ų430%024%0.244CC..Hα-helixtrans-67.7-42-179.5-59.9169.2000110.6L75 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 4.39Å; L75-I79 HydrophobicContact CD2-CD1 4.08Å; L75-I79 HydrophobicContact CG-CD1 3.86Å; L75-I79 WeakPolarHBondContact O-CG1 3.5Å; L75-I79 PolarHBondContact O-N 3.36Å; I79-T82 WeakPolarHBondContact CA-OG1 3.26Å; I79-T82 PolarHBondContact O-OG1 3.31Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.37Å; I79-N83 WeakPolarHBondContact O-CB 3.48Å; I79-N83 PolarHBondContact O-N 3.26Å; I79-N83 PolarHBondContact O-ND2 3.28Å; I79-L160 HydrophobicContact CG2-CD1 3.95Å; I79-L160 HydrophobicContact CG2-CD2 4.22Å; I79-A211 HydrophobicContact CB-CB 4.03Å; I79-A211 HydrophobicContact CG2-CB 3.77Å; I79-F214 HydrophobicContact CD1-CB 4.3Å; I79-F214 HydrophobicContact CD1-CD1 3.52Å; I79-F214 HydrophobicContact CD1-CD2 4.3Å; I79-F214 HydrophobicContact CD1-CE1 3.82Å; I79-F214 HydrophobicContact CD1-CG 3.79Å; I79-F214 HydrophobicContact CD1-CZ 4.33Å
80A90.1Very high89.1Confident31 Ų3150.9 Ų50.926%0.25628%0.276SS..Hα-helixtrans-63.8-44.3179.300000112I76 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.06Å; I76-A80 PolarHBondContact O-N 3.26Å; A80-L84 VanDerWaalsContact O-CB 3.3Å; A80-L84 WeakPolarHBondContact O-CB 3.3Å; A80-L84 PolarHBondContact O-N 3.4Å; A80-A211 HydrophobicContact CB-CB 3.94Å
81T90.8Very high88.8Confident31 Ų3145.8 Ų45.819%0.1925%0.253CS..Hα-helixtrans-69-44.9-179.851.70000112P27 I77 F78 N83 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.49Å; I77-T81 HydrophobicContact CG2-CG2 4.29Å; I77-T81 WeakPolarHBondContact O-CB 3.45Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.3Å; I77-T81 PolarHBondContact O-N 2.94Å; I77-T81 PolarHBondContact O-OG1 2.99Å; F78-T81 PolarHBondContact O-OG1 3.22Å; F78-T81 VanDerWaalsContact O-OG1 3.11Å; T81-N83 PolarHBondContact O-N 2.9Å; T81-L84 PolarHBondContact O-N 3.01Å; T81-L85 VanDerWaalsContact O-CB 3.29Å; T81-L85 WeakPolarHBondContact O-CB 3.49Å; T81-L85 VanDerWaalsContact O-CD1 3.22Å; T81-L85 WeakPolarHBondContact O-CD1 3.38Å; T81-L85 WeakPolarHBondContact O-CG 3.45Å; T81-L85 PolarHBondContact O-N 3.44Å
82T90.4Very high88.3Confident4 Ų444 Ų443%0.02524%0.244CC..Hα-helixtrans-60.6-42.6176.648.20000112.6P27 F78 I79 G86P27-T82 HydrophobicContact CB-CG2 4.18Å; P27-T82 HydrophobicContact CG-CG2 3.38Å; F78-T82 HydrophobicContact CD2-CG2 4.3Å; F78-T82 HydrophobicContact CE1-CG2 4.23Å; F78-T82 HydrophobicContact CE2-CG2 3.91Å; F78-T82 HydrophobicContact CZ-CG2 3.87Å; F78-T82 WeakPolarHBondContact O-CB 3.31Å; F78-T82 VanDerWaalsContact O-CG2 3.32Å; F78-T82 WeakPolarHBondContact O-CG2 3.15Å; F78-T82 PolarHBondContact O-N 3.22Å; F78-T82 PolarHBondContact O-OG1 3.05Å; I79-T82 WeakPolarHBondContact CA-OG1 3.26Å; I79-T82 PolarHBondContact O-OG1 3.31Å; T82-G86 PolarHBondContact O-N 3.44Å
83N90.5Very high88Confident3 Ų344 Ų442%0.01624%0.244CC..Hα-helixtrans-68.2-41.5177.8-67-11.6000112.1I79 T81 G86 L87 T95 I164 A207I79-N83 WeakPolarHBondContact CG2-ND2 3.37Å; I79-N83 WeakPolarHBondContact O-CB 3.48Å; I79-N83 PolarHBondContact O-N 3.26Å; I79-N83 PolarHBondContact O-ND2 3.28Å; T81-N83 PolarHBondContact O-N 2.9Å; N83-G86 WeakPolarHBondContact O-CA 3.32Å; N83-G86 PolarHBondContact O-N 3.11Å; N83-G86 VanDerWaalsContact O-N 3.12Å; N83-L87 PolarHBondContact O-N 3.19Å; N83-T95 WeakPolarHBondContact OD1-CB 3.45Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.45Å; N83-T95 PolarHBondContact OD1-OG1 2.92Å; N83-I164 HydrophobicContact CB-CD1 4.35Å; N83-I164 VanDerWaalsContact CG-CD1 3.45Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.36Å; N83-A207 HydrophobicContact CB-CB 3.92Å; N83-A207 PolarHBondContact ND2-O 3.43Å
84L89.4Confident87.6Confident101 Ų10143.7 Ų43.753%0.52924%0.242SC..Hα-helixtrans-67.5-44.7-179.8-165.883.5000112A80 T81 G86 L87 I204A80-L84 VanDerWaalsContact O-CB 3.3Å; A80-L84 WeakPolarHBondContact O-CB 3.3Å; A80-L84 PolarHBondContact O-N 3.4Å; T81-L84 PolarHBondContact O-N 3.01Å; L84-G86 PolarHBondContact O-N 2.92Å; L84-L87 PolarHBondContact O-N 2.82Å; L84-I204 HydrophobicContact CD1-CG2 4.28Å
85L89.4Confident87.2Confident36 Ų3640.6 Ų40.619%0.18822%0.22CC..Hα-helixtrans-56.9-31.5170.5-87.7147.8000111.9F26 P27 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD1 4.25Å; F26-L85 HydrophobicContact CD1-CD2 3.71Å; F26-L85 HydrophobicContact CE1-CD2 3.61Å; P27-L85 HydrophobicContact CB-CD1 3.86Å; P27-L85 HydrophobicContact CG-CD1 4.01Å; L30-L85 HydrophobicContact CD1-CD1 3.47Å; L30-L85 VanDerWaalsContact CD1-CD1 3.47Å; L30-L85 HydrophobicContact CD1-CD2 4Å; L30-L85 HydrophobicContact CD1-CG 3.98Å; T81-L85 VanDerWaalsContact O-CB 3.29Å; T81-L85 WeakPolarHBondContact O-CB 3.49Å; T81-L85 VanDerWaalsContact O-CD1 3.22Å; T81-L85 WeakPolarHBondContact O-CD1 3.38Å; T81-L85 WeakPolarHBondContact O-CG 3.45Å; T81-L85 PolarHBondContact O-N 3.44Å; L85-L87 VanDerWaalsContact C-N 3.31Å; L85-L87 PolarHBondContact O-N 2.97Å; L85-L88 HydrophobicContact CD2-CD1 4.17Å; L85-L88 WeakPolarHBondContact O-CB 3.45Å; L85-L88 WeakPolarHBondContact O-CG 3.42Å; L85-L88 PolarHBondContact O-N 2.92Å; L85-S91 PolarHBondContact O-OG 3.35Å
86G85.6Confident87Confident1 Ų140.2 Ų40.21%0.0122%0.219CC..Hα-helixtrans-62.1-32.3177.100000116.3T82 N83 L84 L88 S91 H168T82-G86 PolarHBondContact O-N 3.44Å; N83-G86 WeakPolarHBondContact O-CA 3.32Å; N83-G86 PolarHBondContact O-N 3.11Å; N83-G86 VanDerWaalsContact O-N 3.12Å; L84-G86 PolarHBondContact O-N 2.92Å; G86-L88 PolarHBondContact O-N 2.95Å; G86-S91 PolarHBondContact O-OG 2.94Å; G86-H168 PolarHBondContact O-CE1 2.81Å; G86-H168 PolarHBondContact O-NE2 2.99Å; G86-H168 VanDerWaalsContact O-NE2 3.13Å
87L86.4Confident86.9Confident37 Ų3742.6 Ų42.619%0.19423%0.229CC..THydrogen-bonded Turntrans-78.8-4.6-178.6-60.5175.3000113N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 3.19Å; L84-L87 PolarHBondContact O-N 2.82Å; L85-L87 VanDerWaalsContact C-N 3.31Å; L85-L87 PolarHBondContact O-N 2.97Å; L87-M171 HydrophobicContact CD2-CE 4.02Å; L87-E203 HydrophobicContact CD1-CG 4.42Å; L87-E203 HydrophobicContact CD2-CB 4.18Å; L87-E203 HydrophobicContact CD2-CG 3.38Å; L87-I204 HydrophobicContact CD1-CB 4.2Å; L87-I204 HydrophobicContact CD1-CG1 3.61Å; L87-A207 HydrophobicContact CD1-CB 4.09Å
88L87.1Confident86.6Confident97 Ų9744.1 Ų44.151%0.50824%0.238SC..SBendtrans-66.4146.1174.7-65.3173.8000110.7L85 G86 H90 S91L85-L88 HydrophobicContact CD2-CD1 4.17Å; L85-L88 WeakPolarHBondContact O-CB 3.45Å; L85-L88 WeakPolarHBondContact O-CG 3.42Å; L85-L88 PolarHBondContact O-N 2.92Å; G86-L88 PolarHBondContact O-N 2.95Å; L88-H90 PolarHBondContact O-N 3Å; L88-S91 PolarHBondContact O-N 3.02Å; L88-S91 PolarHBondContact O-OG 2.95Å; L88-S91 VanDerWaalsContact O-OG 3.05Å
89P81.9Confident86.5Confident111 Ų11146 Ų4672%0.72126%0.256SS*.THydrogen-bonded Turntrans-59.7132.6178.824.8-33.5000110.5S91P89-S91 PolarHBondContact O-N 3.13Å; P89-S91 VanDerWaalsContact O-N 3.17Å
90H81.8Confident86.3Confident200 Ų20047.9 Ų47.993%0.92627%0.266SS*.THydrogen-bonded Turntrans59.116.9-179.8-56.6-67.3000116L88L88-H90 PolarHBondContact O-N 3Å
91S83.8Confident86.2Confident38 Ų3846.4 Ų46.427%0.26625%0.254SS..  trans-81.1143.5170.970.20000111L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 3.35Å; G86-S91 PolarHBondContact O-OG 2.94Å; L88-S91 PolarHBondContact O-N 3.02Å; L88-S91 PolarHBondContact O-OG 2.95Å; L88-S91 VanDerWaalsContact O-OG 3.05Å; P89-S91 PolarHBondContact O-N 3.13Å; P89-S91 VanDerWaalsContact O-N 3.17Å
92F81.8Confident86Confident27 Ų2747.1 Ų47.112%0.11826%0.256CS..  trans-88.7123.1171.4171.3-95.1000109.2S8 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 2.98Å; P12-F92 HydrophobicContact CG-CB 4.41Å; P12-F92 HydrophobicContact CG-CD1 4.13Å; P12-F92 HydrophobicContact CG-CG 4.11Å; A20-F92 HydrophobicContact CB-CE1 4.38Å; I23-F92 HydrophobicContact CD1-CB 4.03Å; I23-F92 HydrophobicContact CD1-CD1 3.89Å; I23-F92 HydrophobicContact CD1-CG 4.34Å; I23-F92 HydrophobicContact CG2-CD1 4.44Å; F92-P94 HydrophobicContact CE1-CB 4.41Å; F92-P94 WeakPolarHBondContact O-CD 3.38Å; F92-Q97 HydrophobicContact CZ-CG 4.17Å
93T83.3Confident85.9Confident3 Ų350 Ų502%0.01828%0.28CS..  trans-91.3110.9177.328.40000111.1T95 T96 I164T93-T95 PolarHBondContact O-N 3.03Å; T93-T95 VanDerWaalsContact O-N 3.17Å; T93-T96 PolarHBondContact O-N 3.39Å; T93-T96 PolarHBondContact O-OG1 3.34Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.3Å; T93-I164 HydrophobicContact CG2-CG2 4.26Å
94P81.8Confident85.6Confident11 Ų1150.9 Ų50.97%0.07129%0.285CS..G310 helixtrans-64-22.9176.826.3-33.6000112.6I24 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.3Å; I24-P94 HydrophobicContact CG1-CB 3.73Å; I24-P94 HydrophobicContact CG1-CG 4.08Å; F92-P94 HydrophobicContact CE1-CB 4.41Å; F92-P94 WeakPolarHBondContact O-CD 3.38Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.25Å; P94-Q97 PolarHBondContact O-N 3.46Å; P94-M100 WeakPolarHBondContact O-CB 3.41Å
95T84.6Confident85.5Confident1 Ų146.2 Ų46.21%0.00626%0.26CS..G310 helixtrans-75.9-7.3178.951.10000114.4N83 T93 Q97 N101 L160 I164N83-T95 WeakPolarHBondContact OD1-CB 3.45Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.45Å; N83-T95 PolarHBondContact OD1-OG1 2.92Å; T93-T95 PolarHBondContact O-N 3.03Å; T93-T95 VanDerWaalsContact O-N 3.17Å; T95-Q97 VanDerWaalsContact C-N 3.33Å; T95-N101 PolarHBondContact O-ND2 3.34Å; T95-N101 PolarHBondContact O-OD1 3.33Å; T95-L160 HydrophobicContact CG2-CD2 4.31Å; T95-I164 VanDerWaalsContact OG1-CD1 3.3Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.26Å
96T85.4Confident85.4Confident10 Ų1048.4 Ų48.46%0.06127%0.271CS..G310 helixtrans-74.4-27.5169.756.50000112.4F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.82Å; F9-T96 HydrophobicContact CE1-CG2 3.71Å; T93-T96 PolarHBondContact O-N 3.39Å; T93-T96 PolarHBondContact O-OG1 3.34Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.3Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.25Å; T96-L98 PolarHBondContact O-N 3.08Å; T96-T161 WeakPolarHBondContact O-CG2 3.23Å; T96-I164 HydrophobicContact CG2-CB 4.4Å; T96-I164 HydrophobicContact CG2-CG2 3.68Å; T96-T165 HydrophobicContact CG2-CG2 3.75Å
97Q88.4Confident85.5Confident69 Ų6952.2 Ų52.232%0.32230%0.296SS..SBendtrans-77.9119.3178.2-66-63.3-28.700109.6F9 F92 P94 T95 S99 M100F9-Q97 PolarHBondContact O-NE2 2.93Å; F92-Q97 HydrophobicContact CZ-CG 4.17Å; P94-Q97 PolarHBondContact O-N 3.46Å; T95-Q97 VanDerWaalsContact C-N 3.33Å; Q97-S99 PolarHBondContact O-N 3.17Å; Q97-S99 VanDerWaalsContact O-N 3.17Å; Q97-M100 PolarHBondContact O-N 2.94Å; Q97-M100 VanDerWaalsContact O-N 3.08Å
98L86.1Confident85.6Confident68 Ų6851.3 Ų51.336%0.35629%0.291SS..Hα-helixtrans-57.1-32.6178.6-177.164000112.3T96 M100 N101 L102 M154 A157 V158 T161T96-L98 PolarHBondContact O-N 3.08Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.28Å; L98-N101 PolarHBondContact O-N 3.08Å; L98-L102 VanDerWaalsContact O-CB 3.22Å; L98-L102 WeakPolarHBondContact O-CB 3.36Å; L98-L102 PolarHBondContact O-N 3.13Å; L98-M154 HydrophobicContact CD2-CE 4.07Å; L98-A157 HydrophobicContact CD1-CB 4.39Å; L98-V158 HydrophobicContact CD1-CG2 3.93Å; L98-T161 VanDerWaalsContact CA-CG2 3.43Å; L98-T161 HydrophobicContact CB-CG2 4.01Å; L98-T161 HydrophobicContact CD1-CG2 3.97Å
99S87.7Confident85.5Confident86 Ų8648.7 Ų48.760%0.60128%0.275SS*.Hα-helixtrans-56.7-43.8176.5570000112.6Q97 A103Q97-S99 PolarHBondContact O-N 3.17Å; Q97-S99 VanDerWaalsContact O-N 3.17Å; S99-A103 WeakPolarHBondContact O-CB 3.39Å; S99-A103 PolarHBondContact O-N 2.8Å
100M86.9Confident85.7Confident41 Ų4144.7 Ų44.720%0.20225%0.251CS..Hα-helixtrans-67.2-45.9-179-176.262.1-172.200111.3I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-SD 4.4Å; I24-M100 HydrophobicContact CG2-CE 4.36Å; F78-M100 HydrophobicContact CE1-CE 3.84Å; F78-M100 HydrophobicContact CZ-CE 3.81Å; P94-M100 WeakPolarHBondContact O-CB 3.41Å; Q97-M100 PolarHBondContact O-N 2.94Å; Q97-M100 VanDerWaalsContact O-N 3.08Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.28Å; M100-L102 VanDerWaalsContact C-N 3.34Å; M100-L102 PolarHBondContact O-N 3.3Å; M100-A103 PolarHBondContact O-N 3.33Å; M100-M104 HydrophobicContact CE-CE 3.86Å; M100-M104 HydrophobicContact CE-CG 4.34Å; M100-M104 HydrophobicContact CE-SD 4.12Å; M100-M104 HydrophobicContact CG-CE 3.71Å; M100-M104 PolarHBondContact O-N 2.69Å; M100-M104 HydrophobicContact SD-CE 4.47Å
101N87.6Confident85.8Confident0 Ų036.2 Ų36.20%022%0.217CC..Hα-helixtrans-68.5-37.5-178-64.1-4.1000111.6T95 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.34Å; T95-N101 PolarHBondContact O-OD1 3.33Å; L98-N101 PolarHBondContact O-N 3.08Å; N101-M104 PolarHBondContact O-N 3.18Å; N101-A105 VanDerWaalsContact O-CB 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.49Å; N101-A105 PolarHBondContact O-N 3.17Å; N101-A157 HydrophobicContact CB-CB 3.94Å; N101-A157 PolarHBondContact ND2-O 3.47Å; N101-L160 HydrophobicContact CB-CD2 4.27Å; N101-L160 WeakPolarHBondContact ND2-CB 3.43Å; N101-L160 VanDerWaalsContact ND2-CD2 3.33Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.26Å; N101-L160 WeakPolarHBondContact ND2-CG 3.44Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.38Å; N101-T161 HydrophobicContact CB-CG2 4.3Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.29Å; N101-T161 PolarHBondContact ND2-N 3.41Å
102L85.6Confident85.8Confident45 Ų4534.4 Ų34.424%0.23621%0.205CC..Hα-helixtrans-69.8-39.3176.8-164.764.7000111.5L98 M100 M104 A105 I106 M154 A157L98-L102 VanDerWaalsContact O-CB 3.22Å; L98-L102 WeakPolarHBondContact O-CB 3.36Å; L98-L102 PolarHBondContact O-N 3.13Å; M100-L102 VanDerWaalsContact C-N 3.34Å; M100-L102 PolarHBondContact O-N 3.3Å; L102-M104 PolarHBondContact O-N 3.39Å; L102-A105 PolarHBondContact O-N 2.91Å; L102-I106 HydrophobicContact CD1-CD1 3.7Å; L102-I106 HydrophobicContact CD1-CG1 3.75Å; L102-I106 HydrophobicContact CD2-CD1 4Å; L102-I106 HydrophobicContact CG-CD1 3.48Å; L102-I106 VanDerWaalsContact CG-CD1 3.48Å; L102-I106 HydrophobicContact CG-CG1 3.93Å; L102-I106 WeakPolarHBondContact O-CG1 3.41Å; L102-I106 PolarHBondContact O-N 3.43Å; L102-M154 HydrophobicContact CD1-SD 3.44Å; L102-M154 WeakPolarHBondContact CD1-SD 3.42Å; L102-M154 HydrophobicContact CD2-SD 4.19Å; L102-M154 HydrophobicContact CG-SD 4.46Å; L102-A157 HydrophobicContact CB-CB 4.44Å; L102-A157 HydrophobicContact CD1-CB 4.13Å
103A88.5Confident85.8Confident64 Ų6433.9 Ų33.953%0.52920%0.204SC..Hα-helixtrans-62.6-29.2173.400000112.8S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.39Å; S99-A103 PolarHBondContact O-N 2.8Å; M100-A103 PolarHBondContact O-N 3.33Å; A103-P107 WeakPolarHBondContact O-CD 3.29Å; A103-P107 WeakPolarHBondContact O-CG 3.21Å
104M85.2Confident85.8Confident23 Ų2338.5 Ų38.511%0.11323%0.227CC..Hα-helixtrans-79.5-45.1171.1-70.9-173.5-87.600112.5F78 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.9Å; F78-M104 HydrophobicContact CE1-CE 4.19Å; F78-M104 HydrophobicContact CE1-SD 3.6Å; M100-M104 HydrophobicContact CE-CE 3.86Å; M100-M104 HydrophobicContact CE-CG 4.34Å; M100-M104 HydrophobicContact CE-SD 4.12Å; M100-M104 HydrophobicContact CG-CE 3.71Å; M100-M104 PolarHBondContact O-N 2.69Å; M100-M104 HydrophobicContact SD-CE 4.47Å; N101-M104 PolarHBondContact O-N 3.18Å; L102-M104 PolarHBondContact O-N 3.39Å; M104-L108 WeakPolarHBondContact O-CD1 3.4Å; M104-L108 VanDerWaalsContact O-CG 3.26Å; M104-L108 WeakPolarHBondContact O-CG 3.36Å
105A86.1Confident85.8Confident2 Ų240.2 Ų40.22%0.01724%0.235CC..Hα-helixtrans-71.5-44.8-171.600000113.6N101 L102 L108 W109 L156 A157 F214N101-A105 VanDerWaalsContact O-CB 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.49Å; N101-A105 PolarHBondContact O-N 3.17Å; L102-A105 PolarHBondContact O-N 2.91Å; A105-L108 PolarHBondContact O-N 2.98Å; A105-W109 WeakPolarHBondContact O-CB 3.09Å; A105-W109 PolarHBondContact O-N 3.2Å; A105-L156 HydrophobicContact CB-CD2 4.37Å; A105-A157 HydrophobicContact CB-CB 4.22Å; A105-F214 HydrophobicContact CB-CE2 4.37Å; A105-F214 HydrophobicContact CB-CZ 4.19Å
106I87.4Confident85.3Confident82 Ų8240.2 Ų40.242%0.42124%0.235SC..Hα-helixtrans-61.9-50.1-175.3-63.3176.1000111.7L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.7Å; L102-I106 HydrophobicContact CD1-CG1 3.75Å; L102-I106 HydrophobicContact CD2-CD1 4Å; L102-I106 HydrophobicContact CG-CD1 3.48Å; L102-I106 VanDerWaalsContact CG-CD1 3.48Å; L102-I106 HydrophobicContact CG-CG1 3.93Å; L102-I106 WeakPolarHBondContact O-CG1 3.41Å; L102-I106 PolarHBondContact O-N 3.43Å; I106-L108 PolarHBondContact O-N 2.99Å; I106-W109 PolarHBondContact O-N 3.47Å; I106-A110 WeakPolarHBondContact O-CB 3.4Å; I106-A110 PolarHBondContact O-N 3.29Å
107P88.8Confident84.9Confident81 Ų8143.5 Ų43.553%0.52625%0.249SC..Hα-helixtrans-65.3-37.4-177.9-23.936.9000113.2A103 G111A103-P107 WeakPolarHBondContact O-CD 3.29Å; A103-P107 WeakPolarHBondContact O-CG 3.21Å; P107-G111 PolarHBondContact O-N 3.5Å
108L87.3Confident84.3Confident19 Ų1950.4 Ų50.410%0.09927%0.272CS..Hα-helixtrans-66.1-46.5178.5-69.9167.7000111.6M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.28Å; M71-L108 HydrophobicContact CG-CD2 4.2Å; M71-L108 HydrophobicContact SD-CD2 3.5Å; M71-L108 WeakPolarHBondContact SD-CD2 3.32Å; L75-L108 HydrophobicContact CD1-CD1 3.35Å; L75-L108 HydrophobicContact CD2-CD1 4.04Å; L75-L108 HydrophobicContact CG-CD1 4.35Å; M104-L108 WeakPolarHBondContact O-CD1 3.4Å; M104-L108 VanDerWaalsContact O-CG 3.26Å; M104-L108 WeakPolarHBondContact O-CG 3.36Å; A105-L108 PolarHBondContact O-N 2.98Å; I106-L108 PolarHBondContact O-N 2.99Å; L108-G111 PolarHBondContact O-N 3.46Å; L108-A112 PolarHBondContact O-N 3.46Å; L108-F214 HydrophobicContact CD1-CE1 4.12Å; L108-V218 HydrophobicContact CB-CG1 4.37Å
109W85.9Confident83.5Confident42 Ų4249.5 Ų49.516%0.15927%0.271CS..Hα-helixtrans-64-47.8175.8172.189.5000111.3A105 I106 G111 A112 V113 L149 L150 P153A105-W109 WeakPolarHBondContact O-CB 3.09Å; A105-W109 PolarHBondContact O-N 3.2Å; I106-W109 PolarHBondContact O-N 3.47Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 2.67Å; W109-A112 PolarHBondContact O-N 2.88Å; W109-A112 VanDerWaalsContact O-N 3.14Å; W109-V113 HydrophobicContact CD2-CG2 4.09Å; W109-V113 HydrophobicContact CH2-CG2 4.43Å; W109-V113 HydrophobicContact CZ2-CG2 3.92Å; W109-V113 WeakPolarHBondContact O-CG2 3.16Å; W109-V113 PolarHBondContact O-N 3.39Å; W109-L149 HydrophobicContact CH2-CD2 4.18Å; W109-L149 HydrophobicContact CZ2-CD2 3.48Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.48Å; W109-L149 HydrophobicContact CZ2-CG 3.91Å; W109-L149 VanDerWaalsContact CZ2-O 3.3Å; W109-L149 WeakPolarHBondContact CZ2-O 3.33Å; W109-L149 PolarHBondContact NE1-O 2.93Å; W109-L150 HydrophobicContact CH2-CD2 3.75Å; W109-L150 HydrophobicContact CZ2-CD2 4.26Å; W109-P153 HydrophobicContact CB-CB 3.88Å; W109-P153 HydrophobicContact CB-CG 4.38Å; W109-P153 HydrophobicContact CD2-CB 4.27Å; W109-P153 HydrophobicContact CD2-CG 3.78Å; W109-P153 HydrophobicContact CE3-CG 4.31Å; W109-P153 HydrophobicContact CG-CB 3.81Å; W109-P153 HydrophobicContact CG-CG 3.79Å
110A84.8Confident82.6Confident27 Ų2749.6 Ų49.622%0.22326%0.261CS..Hα-helixtrans-60.4-41.217900000110.8I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.4Å; I106-A110 PolarHBondContact O-N 3.29Å; A110-V113 PolarHBondContact O-N 3.06Å; A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.27Å; A110-I114 WeakPolarHBondContact O-CD1 3.17Å; A110-I114 WeakPolarHBondContact O-CG1 3.42Å; A110-I114 PolarHBondContact O-N 2.89Å
111G85.1Confident81.5Confident21 Ų2152.9 Ų52.922%0.21628%0.278CS..Hα-helixtrans-60.2-44.7174.800000113P107 L108 W109 M115P107-G111 PolarHBondContact O-N 3.5Å; L108-G111 PolarHBondContact O-N 3.46Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 2.67Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.28Å; G111-M115 PolarHBondContact O-N 3.46Å
112A82.9Confident80.3Confident1 Ų161.9 Ų61.91%0.00832%0.317CS..Hα-helixtrans-63.6-45.2177.100000111.9L108 W109 M115 G116 L222L108-A112 PolarHBondContact O-N 3.46Å; W109-A112 PolarHBondContact O-N 2.88Å; W109-A112 VanDerWaalsContact O-N 3.14Å; A112-M115 PolarHBondContact O-N 3.27Å; A112-G116 PolarHBondContact O-N 3.45Å; A112-L222 HydrophobicContact CB-CD1 4.49Å
113V82.4Confident79.4Confident16 Ų1664.3 Ų64.310%0.09733%0.331CS..Hα-helixtrans-65.2-46.3178.8172.50000111.4W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.09Å; W109-V113 HydrophobicContact CH2-CG2 4.43Å; W109-V113 HydrophobicContact CZ2-CG2 3.92Å; W109-V113 WeakPolarHBondContact O-CG2 3.16Å; W109-V113 PolarHBondContact O-N 3.39Å; A110-V113 PolarHBondContact O-N 3.06Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.48Å; V113-G116 PolarHBondContact O-N 2.99Å; 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 3.16Å; V113-F117 PolarHBondContact O-N 3.07Å
114I83.8Confident78.1Confident99 Ų9962.1 Ų62.151%0.50831%0.312SS..Hα-helixtrans-61.2-39.2176.7-68.4163.6000110.5A110 G116 F117 R118A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.27Å; A110-I114 WeakPolarHBondContact O-CD1 3.17Å; A110-I114 WeakPolarHBondContact O-CG1 3.42Å; A110-I114 PolarHBondContact O-N 2.89Å; I114-G116 VanDerWaalsContact C-N 3.35Å; I114-F117 PolarHBondContact O-N 2.92Å; I114-R118 HydrophobicContact CG2-CG 4.41Å; I114-R118 WeakPolarHBondContact O-CB 3.49Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.31Å; I114-R118 PolarHBondContact O-N 2.83Å
115M80.6Confident77.1Confident47 Ų4765.5 Ų65.523%0.23233%0.33CS..Hα-helixtrans-65.6-37.7176.1-171.4170-178.300112.1W68 G111 A112 V113 R118 S119 L222 T226W68-M115 HydrophobicContact CZ2-SD 3.93Å; W68-M115 PolarHBondContact NE1-SD 3.27Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.28Å; G111-M115 PolarHBondContact O-N 3.46Å; A112-M115 PolarHBondContact O-N 3.27Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.48Å; M115-R118 PolarHBondContact O-N 3.37Å; M115-S119 VanDerWaalsContact O-CB 3.32Å; M115-S119 WeakPolarHBondContact O-CB 3.09Å; M115-S119 PolarHBondContact O-N 3.32Å; M115-S119 PolarHBondContact O-OG 3.03Å; M115-S119 VanDerWaalsContact O-OG 3.05Å; M115-L222 HydrophobicContact SD-CD1 4.29Å; M115-T226 HydrophobicContact CE-CG2 4.38Å
116G74.8Confident75.9Confident1 Ų167.9 Ų67.91%0.0135%0.35CS..Hα-helixtrans-61.5-50.8172.800000112.8A112 V113 I114 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 3.45Å; V113-G116 PolarHBondContact O-N 2.99Å; V113-G116 VanDerWaalsContact O-N 3.14Å; I114-G116 VanDerWaalsContact C-N 3.35Å; G116-R118 VanDerWaalsContact C-N 3.32Å; G116-R118 PolarHBondContact O-N 3.43Å; G116-S119 PolarHBondContact O-N 3.13Å; G116-S119 PolarHBondContact O-OG 3.16Å; G116-K120 CarbonylContact O-C 3.59Å; G116-K120 PolarHBondContact O-N 3.23Å; G116-N225 VanDerWaalsContact CA-O 3.24Å; G116-N225 WeakPolarHBondContact CA-O 3.08Å
117F77.2Confident74.7Confident80 Ų8069.2 Ų69.235%0.35135%0.354SS..Hα-helixtrans-60.2-40.3175.7-77-63.9000112.2V113 I114 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.63Å; V113-F117 HydrophobicContact CG1-CE2 3.36Å; V113-F117 WeakPolarHBondContact O-CD2 3.16Å; V113-F117 PolarHBondContact O-N 3.07Å; I114-F117 PolarHBondContact O-N 2.92Å; F117-I121 WeakPolarHBondContact O-CG1 3.33Å; F117-A124 HydrophobicContact CD1-CB 4.29Å; F117-A124 HydrophobicContact CE1-CB 4.38Å; F117-L125 HydrophobicContact CD1-CD1 4.21Å; F117-L125 HydrophobicContact CE1-CD1 3.84Å; F117-F128 HydrophobicContact CZ-CE2 4.47Å
118R76.3Confident73.5Confident214 Ų21467.1 Ų67.181%0.80834%0.337SS*.Hα-helixtrans-70.7-34.1179.1-73.5-178.269.7-1691.8113.6I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.41Å; I114-R118 WeakPolarHBondContact O-CB 3.49Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.31Å; I114-R118 PolarHBondContact O-N 2.83Å; M115-R118 PolarHBondContact O-N 3.37Å; G116-R118 VanDerWaalsContact C-N 3.32Å; G116-R118 PolarHBondContact O-N 3.43Å
119S68.1Low72.3Confident49 Ų4969.2 Ų69.234%0.34335%0.347SS..Hα-helixtrans-88.8-39-172.971.40000113.5M115 G116 N225M115-S119 VanDerWaalsContact O-CB 3.32Å; M115-S119 WeakPolarHBondContact O-CB 3.09Å; M115-S119 PolarHBondContact O-N 3.32Å; M115-S119 PolarHBondContact O-OG 3.03Å; M115-S119 VanDerWaalsContact O-OG 3.05Å; G116-S119 PolarHBondContact O-N 3.13Å; G116-S119 PolarHBondContact O-OG 3.16Å; S119-N225 PolarHBondContact OG-O 3.44Å
120K69.3Low71Confident88 Ų8870.5 Ų70.538%0.38336%0.362SS..  trans-147.571.8-176.8-67.3175.1-178.4159.50111.4G116 K122 N123 A124 T226G116-K120 CarbonylContact O-C 3.59Å; G116-K120 PolarHBondContact O-N 3.23Å; K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 3.5Å; K120-N123 HydrophobicContact CB-CB 3.91Å; K120-N123 HydrophobicContact CD-CB 4.26Å; K120-N123 PolarHBondContact O-N 2.87Å; K120-N123 VanDerWaalsContact O-N 3.11Å; K120-A124 WeakPolarHBondContact O-CB 3.5Å; K120-A124 PolarHBondContact O-N 3.28Å; K120-T226 WeakPolarHBondContact CE-O 3.26Å; K120-T226 PolarHBondContact NZ-O 3.41Å; K120-T226 PolarHBondContact NZ-OXT 3.44Å
121I63.8Low69.9Low110 Ų11078.7 Ų78.756%0.56440%0.395SS*.Hα-helixtrans-47.3-49.4177.5-60170.4000111.7F117 N123 L125F117-I121 WeakPolarHBondContact O-CG1 3.33Å; I121-N123 PolarHBondContact O-N 3.19Å; I121-L125 HydrophobicContact CG2-CD1 3.78Å; I121-L125 WeakPolarHBondContact O-CD1 3.37Å; I121-L125 PolarHBondContact O-N 3.42Å
122K62.1Low68.8Low188 Ų18881.6 Ų81.682%0.81743%0.425SS*.Hα-helixtrans-66.5-36.6-176-64.3-175.5-179.3-177.50113.4K120 A126K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 3.5Å; K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.41Å; K122-A126 PolarHBondContact O-N 2.77Å
123N66.2Low68.2Low97 Ų9783.2 Ų83.252%0.51944%0.435SS..Hα-helixtrans-79.4-36-178.1-147.361.2000111.3K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.91Å; K120-N123 HydrophobicContact CD-CB 4.26Å; K120-N123 PolarHBondContact O-N 2.87Å; K120-N123 VanDerWaalsContact O-N 3.11Å; I121-N123 PolarHBondContact O-N 3.19Å; N123-A126 PolarHBondContact O-N 3.25Å; N123-H127 PolarHBondContact O-N 3.35Å; N123-H127 VanDerWaalsContact O-N 3.09Å
124A62.7Low67.8Low17 Ų1786.1 Ų86.114%0.1445%0.454CS..Hα-helixtrans-63.3-42.6173.100000111.5F117 K120 H127F117-A124 HydrophobicContact CD1-CB 4.29Å; F117-A124 HydrophobicContact CE1-CB 4.38Å; K120-A124 WeakPolarHBondContact O-CB 3.5Å; K120-A124 PolarHBondContact O-N 3.28Å; A124-H127 PolarHBondContact O-N 3.38Å
125L62.7Low67.4Low95 Ų9587 Ų8750%0.49746%0.464SS..Hα-helixtrans-70.7-32.5174.4-86.486.8000113F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.21Å; F117-L125 HydrophobicContact CE1-CD1 3.84Å; I121-L125 HydrophobicContact CG2-CD1 3.78Å; I121-L125 WeakPolarHBondContact O-CD1 3.37Å; I121-L125 PolarHBondContact O-N 3.42Å; L125-H127 VanDerWaalsContact C-N 3.26Å; L125-H127 PolarHBondContact O-N 3Å; L125-F128 PolarHBondContact O-N 3.32Å
126A61.7Low67.5Low51 Ų5189.9 Ų89.942%0.42149%0.486SS..Hα-helixtrans-67.1-27.6176.100000112.6K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.41Å; K122-A126 PolarHBondContact O-N 2.77Å; N123-A126 PolarHBondContact O-N 3.25Å; A126-F128 PolarHBondContact O-N 3.04Å; A126-L129 CarbonylContact O-C 3.59Å; A126-L129 PolarHBondContact O-N 3.28Å
127H63.1Low67.7Low110 Ų11094.8 Ų94.851%0.50951%0.512SS..THydrogen-bonded Turntrans-66.6-18.3176.7-149.5-58.5000113.2N123 A124 L125 L129N123-H127 PolarHBondContact O-N 3.35Å; N123-H127 VanDerWaalsContact O-N 3.09Å; A124-H127 PolarHBondContact O-N 3.38Å; L125-H127 VanDerWaalsContact C-N 3.26Å; L125-H127 PolarHBondContact O-N 3Å; H127-L129 PolarHBondContact O-N 3.28Å
128F61.8Low67.8Low38 Ų3893.3 Ų93.317%0.16751%0.507CS..THydrogen-bonded Turntrans-71.8-15.1172.2-67.1-57.4000113.4F117 L125 A126 L141 E145 T146 L149F117-F128 HydrophobicContact CZ-CE2 4.47Å; L125-F128 PolarHBondContact O-N 3.32Å; A126-F128 PolarHBondContact O-N 3.04Å; F128-L141 WeakPolarHBondContact O-CD2 3.29Å; F128-E145 HydrophobicContact CD1-CB 4.25Å; F128-E145 HydrophobicContact CD1-CG 3.86Å; F128-T146 HydrophobicContact CD1-CG2 4.17Å; F128-T146 HydrophobicContact CE1-CG2 3.95Å; F128-T146 HydrophobicContact CZ-CG2 4.43Å; F128-L149 HydrophobicContact CE1-CD1 4.45Å
129L62.2Low67.9Low62 Ų6287.1 Ų87.133%0.32549%0.494SS..SBendtrans-122.4112.8176.5-105.273.2000110.9A126 H127 Q131 I138 V142A126-L129 CarbonylContact O-C 3.59Å; A126-L129 PolarHBondContact O-N 3.28Å; H127-L129 PolarHBondContact O-N 3.28Å; L129-Q131 PolarHBondContact O-N 3.08Å; L129-I138 HydrophobicContact CD1-CG2 3.97Å; L129-I138 HydrophobicContact CD2-CD1 4.26Å; L129-I138 HydrophobicContact CD2-CG1 4.39Å; L129-I138 HydrophobicContact CD2-CG2 3.85Å; L129-I138 HydrophobicContact CG-CG2 4.22Å; L129-V142 HydrophobicContact CD1-CG2 3.28Å
130P60Low68.6Low70 Ų7090.2 Ų90.246%0.45551%0.505SS..  trans-62135.3164.916-15.5000109.5G132 T133 L141P130-G132 PolarHBondContact O-N 3.36Å; P130-T133 HydrophobicContact CB-CG2 4.38Å; P130-T133 HydrophobicContact CG-CG2 3.73Å; P130-T133 WeakPolarHBondContact O-CG2 3.48Å; P130-L141 HydrophobicContact CG-CD1 3.78Å; P130-L141 HydrophobicContact CG-CD2 4.02Å
131Q60.7Low69.3Low199 Ų19988.3 Ų88.393%0.9350%0.499SS*.THydrogen-bonded Turntrans-65.1130.1-178.8-62-151.90.400110.5L129L129-Q131 PolarHBondContact O-N 3.08Å
132G62.2Low70.1Confident82 Ų8285.2 Ų85.285%0.84549%0.485SS*.THydrogen-bonded Turntrans99.510.8177.800000115.9P130P130-G132 PolarHBondContact O-N 3.36Å
133T71.1Confident71.1Confident35 Ų3580.7 Ų80.722%0.21547%0.469CS..  trans-72.4134175.8540000112.1P130 L141P130-T133 HydrophobicContact CB-CG2 4.38Å; P130-T133 HydrophobicContact CG-CG2 3.73Å; P130-T133 WeakPolarHBondContact O-CG2 3.48Å; T133-L141 HydrophobicContact CG2-CD1 3.8Å
134P73.8Confident72.1Confident77 Ų7780.4 Ų80.450%0.547%0.466SS..  trans-65139.6176.828.2-34.7000111P136 L137P134-P136 VanDerWaalsContact C-N 3.35Å; P134-P136 WeakPolarHBondContact O-CD 3.41Å; P134-P136 VanDerWaalsContact O-N 3.11Å; P134-L137 HydrophobicContact CG-CB 4.43Å; P134-L137 HydrophobicContact CG-CD1 3.76Å; P134-L137 HydrophobicContact CG-CG 4.22Å; P134-L137 PolarHBondContact O-N 3.19Å
135T75.7Confident73Confident118 Ų11882.7 Ų82.772%0.72447%0.474SS*.G310 helixtrans-48.3-36-172.648.40000116.9I138T135-I138 HydrophobicContact CG2-CD1 4.44Å
136P81.8Confident73.9Confident106 Ų10680.7 Ų80.769%0.68847%0.466SS*.G310 helixtrans-74.4-22.917926.4-34.6000114.7P134P134-P136 VanDerWaalsContact C-N 3.35Å; P134-P136 WeakPolarHBondContact O-CD 3.41Å; P134-P136 VanDerWaalsContact O-N 3.11Å
137L79.6Confident75Confident105 Ų10582.3 Ų82.355%0.5547%0.466SS..G310 helixtrans-87.6-11.2-177.7-66.3177.8000113.3P134 M140 L141P134-L137 HydrophobicContact CG-CB 4.43Å; P134-L137 HydrophobicContact CG-CD1 3.76Å; P134-L137 HydrophobicContact CG-CG 4.22Å; P134-L137 PolarHBondContact O-N 3.19Å; L137-M140 PolarHBondContact O-N 3.33Å; L137-L141 PolarHBondContact O-N 3.44Å; L137-L141 VanDerWaalsContact O-N 3.11Å
138I78.6Confident75.9Confident48 Ų4879.5 Ų79.525%0.24646%0.459CS..Hα-helixtrans-56.3-48.9-175.5-64.4178000112.6L129 T135 M140 L141 V142L129-I138 HydrophobicContact CD1-CG2 3.97Å; L129-I138 HydrophobicContact CD2-CD1 4.26Å; L129-I138 HydrophobicContact CD2-CG1 4.39Å; L129-I138 HydrophobicContact CD2-CG2 3.85Å; L129-I138 HydrophobicContact CG-CG2 4.22Å; T135-I138 HydrophobicContact CG2-CD1 4.44Å; I138-M140 VanDerWaalsContact C-N 3.32Å; I138-M140 PolarHBondContact O-N 3.35Å; I138-L141 PolarHBondContact O-N 3.31Å; I138-V142 HydrophobicContact CG2-CG2 4.48Å; I138-V142 WeakPolarHBondContact O-CG2 3.36Å; I138-V142 PolarHBondContact O-N 3.24Å; I138-V142 VanDerWaalsContact O-N 3.15Å
139P78.9Confident76.9Confident84 Ų8479.8 Ų79.855%0.54546%0.462SS..Hα-helixtrans-64.2-36.9-176-21.233.8000112.8I143P139-I143 WeakPolarHBondContact O-CG1 3.36Å; P139-I143 PolarHBondContact O-N 3.41Å
140M82.4Confident77.8Confident114 Ų11482 Ų8256%0.56247%0.474SS*.Hα-helixtrans-70-40.7178.9-173.463.8-172.500111.6L137 I138 I143 I144L137-M140 PolarHBondContact O-N 3.33Å; I138-M140 VanDerWaalsContact C-N 3.32Å; I138-M140 PolarHBondContact O-N 3.35Å; M140-I143 PolarHBondContact O-N 3.17Å; M140-I144 HydrophobicContact CE-CD1 3.95Å; M140-I144 HydrophobicContact CE-CG1 4.17Å; M140-I144 HydrophobicContact CG-CD1 4.09Å; M140-I144 WeakPolarHBondContact O-CG1 2.98Å; M140-I144 PolarHBondContact O-N 3.42Å; M140-I144 VanDerWaalsContact O-N 3.1Å
141L83.9Confident79Confident48 Ų4883.4 Ų83.425%0.25148%0.477SS..Hα-helixtrans-65.9-41.2-178.8-167.5151.5000111.9F128 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 3.29Å; P130-L141 HydrophobicContact CG-CD1 3.78Å; P130-L141 HydrophobicContact CG-CD2 4.02Å; T133-L141 HydrophobicContact CG2-CD1 3.8Å; L137-L141 PolarHBondContact O-N 3.44Å; L137-L141 VanDerWaalsContact O-N 3.11Å; I138-L141 PolarHBondContact O-N 3.31Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 3.38Å; L141-I144 PolarHBondContact O-N 2.89Å; L141-E145 WeakPolarHBondContact O-CB 3.3Å; L141-E145 PolarHBondContact O-N 3.05Å
142V80.6Confident80Confident46 Ų4677.3 Ų77.328%0.27945%0.448SS..Hα-helixtrans-59.7-41.5176.1174.80000111.3L129 I138 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.28Å; I138-V142 HydrophobicContact CG2-CG2 4.48Å; I138-V142 WeakPolarHBondContact O-CG2 3.36Å; I138-V142 PolarHBondContact O-N 3.24Å; I138-V142 VanDerWaalsContact O-N 3.15Å; V142-E145 PolarHBondContact O-N 3.46Å; V142-T146 HydrophobicContact CG1-CG2 4.35Å; V142-T146 WeakPolarHBondContact O-CB 3.41Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.32Å; V142-T146 PolarHBondContact O-N 3.02Å; V142-T146 PolarHBondContact O-OG1 2.77Å
143I84.4Confident80.8Confident92 Ų9273.9 Ų73.947%0.47241%0.411SS..Hα-helixtrans-63.5-44.1177.2-66.2167.4000110.5P139 M140 L141 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.36Å; P139-I143 PolarHBondContact O-N 3.41Å; M140-I143 PolarHBondContact O-N 3.17Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 3.38Å; I143-T146 WeakPolarHBondContact CA-OG1 3.43Å; I143-T146 PolarHBondContact O-OG1 3.01Å; I143-I147 HydrophobicContact CG2-CD1 3.77Å; I143-I147 WeakPolarHBondContact O-CB 3.3Å; I143-I147 WeakPolarHBondContact O-CD1 3.34Å; I143-I147 VanDerWaalsContact O-CG1 3.22Å; I143-I147 WeakPolarHBondContact O-CG1 3.25Å; I143-I147 PolarHBondContact O-N 3.02Å
144I85.3Confident81.3Confident92 Ų9275.9 Ų75.947%0.47242%0.419SS..Hα-helixtrans-65.4-43.3179.2-64.7165.1000111.2M140 L141 I147 S148M140-I144 HydrophobicContact CE-CD1 3.95Å; M140-I144 HydrophobicContact CE-CG1 4.17Å; M140-I144 HydrophobicContact CG-CD1 4.09Å; M140-I144 WeakPolarHBondContact O-CG1 2.98Å; M140-I144 PolarHBondContact O-N 3.42Å; M140-I144 VanDerWaalsContact O-N 3.1Å; L141-I144 PolarHBondContact O-N 2.89Å; I144-I147 PolarHBondContact O-N 3.11Å; I144-S148 WeakPolarHBondContact O-CB 3.27Å; I144-S148 PolarHBondContact O-N 2.97Å
145E83.3Confident81.8Confident65 Ų6574.2 Ų74.230%0.30441%0.411SS..Hα-helixtrans-67.5-39.7-178.7-166.360.3-154.600111.7F128 L141 V142 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.25Å; F128-E145 HydrophobicContact CD1-CG 3.86Å; L141-E145 WeakPolarHBondContact O-CB 3.3Å; L141-E145 PolarHBondContact O-N 3.05Å; V142-E145 PolarHBondContact O-N 3.46Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 2.7Å; E145-S148 WeakPolarHBondContact O-CB 3.21Å; E145-S148 PolarHBondContact O-N 3.26Å; E145-L149 WeakPolarHBondContact O-CB 3.31Å; E145-L149 PolarHBondContact O-N 2.92Å
146T80.8Confident82Confident52 Ų5269 Ų6932%0.31938%0.379SS..Hα-helixtrans-63.5-39173.952.20000112.2F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.17Å; F128-T146 HydrophobicContact CE1-CG2 3.95Å; F128-T146 HydrophobicContact CZ-CG2 4.43Å; V142-T146 HydrophobicContact CG1-CG2 4.35Å; V142-T146 WeakPolarHBondContact O-CB 3.41Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.32Å; V142-T146 PolarHBondContact O-N 3.02Å; V142-T146 PolarHBondContact O-OG1 2.77Å; I143-T146 WeakPolarHBondContact CA-OG1 3.43Å; I143-T146 PolarHBondContact O-OG1 3.01Å; T146-L150 WeakPolarHBondContact O-CG 3.47Å; T146-L150 PolarHBondContact O-N 3.29Å
147I84.8Confident82Confident85 Ų8563.9 Ų63.944%0.43635%0.346SS..Hα-helixtrans-67-43.7173.8-68.3167000110.9I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.77Å; I143-I147 WeakPolarHBondContact O-CB 3.3Å; I143-I147 WeakPolarHBondContact O-CD1 3.34Å; I143-I147 VanDerWaalsContact O-CG1 3.22Å; I143-I147 WeakPolarHBondContact O-CG1 3.25Å; I143-I147 PolarHBondContact O-N 3.02Å; I144-I147 PolarHBondContact O-N 3.11Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 2.7Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 2.96Å; I147-L150 PolarHBondContact O-N 3Å; I147-L150 VanDerWaalsContact O-N 3.16Å; I147-I151 HydrophobicContact CG2-CD1 3.46Å; I147-I151 VanDerWaalsContact CG2-CD1 3.46Å; I147-I151 HydrophobicContact CG2-CG1 4.13Å; I147-I151 WeakPolarHBondContact O-CG1 3.36Å; I147-I151 PolarHBondContact O-N 3.47Å
148S82.9Confident82.3Confident52 Ų5261.8 Ų61.836%0.36434%0.337SS..Hα-helixtrans-57.4-46.4178.2-176.80000111.7I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.27Å; I144-S148 PolarHBondContact O-N 2.97Å; E145-S148 WeakPolarHBondContact O-CB 3.21Å; E145-S148 PolarHBondContact O-N 3.26Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.32Å; S148-I151 PolarHBondContact O-N 3.27Å; S148-Q152 PolarHBondContact O-N 3.08Å; S148-Q152 VanDerWaalsContact O-N 3.11Å
149L81.9Confident82.7Confident43 Ų4364.4 Ų64.423%0.22534%0.344CS..Hα-helixtrans-60.3-36.5177.4-174.1120.3000112.3W109 F128 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.18Å; W109-L149 HydrophobicContact CZ2-CD2 3.48Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.48Å; W109-L149 HydrophobicContact CZ2-CG 3.91Å; W109-L149 VanDerWaalsContact CZ2-O 3.3Å; W109-L149 WeakPolarHBondContact CZ2-O 3.33Å; W109-L149 PolarHBondContact NE1-O 2.93Å; F128-L149 HydrophobicContact CE1-CD1 4.45Å; E145-L149 WeakPolarHBondContact O-CB 3.31Å; E145-L149 PolarHBondContact O-N 2.92Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 2.96Å; L149-P153 WeakPolarHBondContact O-CD 3.33Å
150L81.8Confident82.7Confident109 Ų10960.4 Ų60.457%0.57132%0.318SS*.Hα-helixtrans-77.7-35.3177.4-71.3173.5000113.6W109 T146 I147 S148 P153W109-L150 HydrophobicContact CH2-CD2 3.75Å; W109-L150 HydrophobicContact CZ2-CD2 4.26Å; T146-L150 WeakPolarHBondContact O-CG 3.47Å; T146-L150 PolarHBondContact O-N 3.29Å; I147-L150 PolarHBondContact O-N 3Å; I147-L150 VanDerWaalsContact O-N 3.16Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.32Å; L150-P153 WeakPolarHBondContact O-CD 3.47Å; L150-P153 WeakPolarHBondContact O-CG 3.38Å
151I84.4Confident82.8Confident100 Ų10055.6 Ų55.651%0.51330%0.295SS..Hα-helixtrans-73.1-31.8-179.1-69.2173.7000111.2I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.46Å; I147-I151 VanDerWaalsContact CG2-CD1 3.46Å; I147-I151 HydrophobicContact CG2-CG1 4.13Å; I147-I151 WeakPolarHBondContact O-CG1 3.36Å; I147-I151 PolarHBondContact O-N 3.47Å; S148-I151 PolarHBondContact O-N 3.27Å; I151-M154 WeakPolarHBondContact O-CB 3.13Å; I151-M154 PolarHBondContact O-N 2.95Å; I151-M154 VanDerWaalsContact O-N 3.11Å; I151-A155 HydrophobicContact CG2-CB 4.44Å; I151-A155 WeakPolarHBondContact O-CB 3.05Å; I151-A155 PolarHBondContact O-N 3.08Å
152Q82.1Confident82.8Confident71 Ų7155.3 Ų55.333%0.33230%0.3SS..Hα-helixtrans-50.5-52.7-177.8-108.7174.8-16.900116.1S148 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 3.08Å; S148-Q152 VanDerWaalsContact O-N 3.11Å; Q152-M154 VanDerWaalsContact C-N 3.28Å; Q152-M154 PolarHBondContact O-N 2.91Å; Q152-A155 PolarHBondContact O-N 3.14Å; Q152-L156 WeakPolarHBondContact O-CB 3.23Å; Q152-L156 PolarHBondContact O-N 2.86Å; Q152-Y221 HydrophobicContact CG-CE1 4.41Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.5Å; Q152-Y221 PolarHBondContact NE2-OH 2.76Å; Q152-Y221 PolarHBondContact OE1-OH 3.34Å
153P77.9Confident83.1Confident9 Ų956 Ų566%0.05830%0.302CS..Hα-helixtrans-64.4-34178.524.2-34.7000112.2W109 L149 L150 A157W109-P153 HydrophobicContact CB-CB 3.88Å; W109-P153 HydrophobicContact CB-CG 4.38Å; W109-P153 HydrophobicContact CD2-CB 4.27Å; W109-P153 HydrophobicContact CD2-CG 3.78Å; W109-P153 HydrophobicContact CE3-CG 4.31Å; W109-P153 HydrophobicContact CG-CB 3.81Å; W109-P153 HydrophobicContact CG-CG 3.79Å; L149-P153 WeakPolarHBondContact O-CD 3.33Å; L150-P153 WeakPolarHBondContact O-CD 3.47Å; L150-P153 WeakPolarHBondContact O-CG 3.38Å; P153-A157 PolarHBondContact O-N 3.48Å; P153-A157 VanDerWaalsContact O-N 3.17Å
154M82.6Confident83.1Confident78 Ų7851.9 Ų51.938%0.38428%0.281SS..Hα-helixtrans-67-46175-169.766.3-171.900111L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD2-CE 4.07Å; L102-M154 HydrophobicContact CD1-SD 3.44Å; L102-M154 WeakPolarHBondContact CD1-SD 3.42Å; L102-M154 HydrophobicContact CD2-SD 4.19Å; L102-M154 HydrophobicContact CG-SD 4.46Å; I151-M154 WeakPolarHBondContact O-CB 3.13Å; I151-M154 PolarHBondContact O-N 2.95Å; I151-M154 VanDerWaalsContact O-N 3.11Å; Q152-M154 VanDerWaalsContact C-N 3.28Å; Q152-M154 PolarHBondContact O-N 2.91Å; M154-L156 VanDerWaalsContact C-N 3.28Å; M154-L156 PolarHBondContact O-N 3.48Å; M154-A157 PolarHBondContact O-N 3.47Å; M154-V158 HydrophobicContact CE-CG2 4.03Å; M154-V158 HydrophobicContact CG-CG2 4.45Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.14Å; M154-V158 PolarHBondContact O-N 3.36Å
155A84Confident83.2Confident41 Ų4149.2 Ų49.234%0.33927%0.269SS..Hα-helixtrans-61.6-37178.400000112.1I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.44Å; I151-A155 WeakPolarHBondContact O-CB 3.05Å; I151-A155 PolarHBondContact O-N 3.08Å; Q152-A155 PolarHBondContact O-N 3.14Å; A155-R159 VanDerWaalsContact O-CB 3.32Å; A155-R159 WeakPolarHBondContact O-CB 3.29Å; A155-R159 PolarHBondContact O-N 2.87Å
156L79Confident83.4Confident8 Ų848.8 Ų48.84%0.04228%0.276CS..Hα-helixtrans-62.1-48.6174.7-165.589.1000111.8A105 Q152 M154 R159 L160 F214 L217 V218A105-L156 HydrophobicContact CB-CD2 4.37Å; Q152-L156 WeakPolarHBondContact O-CB 3.23Å; Q152-L156 PolarHBondContact O-N 2.86Å; M154-L156 VanDerWaalsContact C-N 3.28Å; M154-L156 PolarHBondContact O-N 3.48Å; L156-R159 PolarHBondContact O-N 2.83Å; L156-L160 PolarHBondContact O-N 2.9Å; L156-F214 HydrophobicContact CD1-CD2 4.27Å; L156-F214 HydrophobicContact CD1-CG 4.49Å; L156-F214 HydrophobicContact CD2-CD1 4.04Å; L156-F214 HydrophobicContact CD2-CD2 3.32Å; L156-F214 HydrophobicContact CD2-CE1 3.9Å; L156-F214 HydrophobicContact CD2-CE2 3.15Å; L156-F214 HydrophobicContact CD2-CG 3.78Å; L156-F214 HydrophobicContact CD2-CZ 3.47Å; L156-F214 VanDerWaalsContact CD2-CZ 3.47Å; L156-F214 HydrophobicContact CG-CD2 3.48Å; L156-F214 VanDerWaalsContact CG-CD2 3.48Å; L156-F214 HydrophobicContact CG-CE2 3.7Å; L156-F214 HydrophobicContact CG-CG 4.12Å; L156-F214 HydrophobicContact CG-CZ 4.47Å; L156-L217 HydrophobicContact CD1-CB 3.89Å; L156-L217 HydrophobicContact CD1-CD1 3.35Å; L156-L217 HydrophobicContact CD1-CG 4.25Å; L156-V218 HydrophobicContact CD2-CG2 4.43Å
157A82.3Confident83.7Confident0 Ų046.5 Ų46.50%026%0.263CS..Hα-helixtrans-63.9-44.8179.700000111.7L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.39Å; N101-A157 HydrophobicContact CB-CB 3.94Å; N101-A157 PolarHBondContact ND2-O 3.47Å; L102-A157 HydrophobicContact CB-CB 4.44Å; L102-A157 HydrophobicContact CD1-CB 4.13Å; A105-A157 HydrophobicContact CB-CB 4.22Å; P153-A157 PolarHBondContact O-N 3.48Å; P153-A157 VanDerWaalsContact O-N 3.17Å; M154-A157 PolarHBondContact O-N 3.47Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.17Å; A157-L160 PolarHBondContact O-N 3.45Å; A157-T161 PolarHBondContact O-N 3.32Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 3.2Å
158V86.1Confident83.9Confident61 Ų6144 Ų4437%0.3725%0.25SC..Hα-helixtrans-63.6-38.6177.4172.80000111.3L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.93Å; M154-V158 HydrophobicContact CE-CG2 4.03Å; M154-V158 HydrophobicContact CG-CG2 4.45Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.14Å; M154-V158 PolarHBondContact O-N 3.36Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 3.02Å; V158-T161 WeakPolarHBondContact CA-OG1 3.25Å; V158-T161 PolarHBondContact O-N 3Å; V158-T161 PolarHBondContact O-OG1 3.38Å; V158-A162 WeakPolarHBondContact O-CB 3.42Å; V158-A162 PolarHBondContact O-N 3Å
159R86.2Confident84.1Confident102 Ų10243.5 Ų43.539%0.38524%0.243SC..Hα-helixtrans-61.5-42.5177.6-168.1-173.3-60.6160.41.5111.7A155 L156 A157 N163 Q210A155-R159 VanDerWaalsContact O-CB 3.32Å; A155-R159 WeakPolarHBondContact O-CB 3.29Å; A155-R159 PolarHBondContact O-N 2.87Å; L156-R159 PolarHBondContact O-N 2.83Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.17Å; R159-N163 WeakPolarHBondContact O-CB 3.38Å; R159-N163 VanDerWaalsContact O-CG 3.29Å; R159-N163 PolarHBondContact O-N 3.33Å; R159-N163 PolarHBondContact O-ND2 2.92Å; R159-Q210 VanDerWaalsContact C-NE2 3.28Å; R159-Q210 VanDerWaalsContact CG-NE2 3.32Å
160L80.2Confident84.5Confident0 Ų045 Ų450%025%0.251CS..Hα-helixtrans-66.3-45.1178.9-174.173.5000110.7I79 T95 N101 L156 A157 V158 I164 Q210I79-L160 HydrophobicContact CG2-CD1 3.95Å; I79-L160 HydrophobicContact CG2-CD2 4.22Å; T95-L160 HydrophobicContact CG2-CD2 4.31Å; N101-L160 HydrophobicContact CB-CD2 4.27Å; N101-L160 WeakPolarHBondContact ND2-CB 3.43Å; N101-L160 VanDerWaalsContact ND2-CD2 3.33Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.26Å; N101-L160 WeakPolarHBondContact ND2-CG 3.44Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.38Å; L156-L160 PolarHBondContact O-N 2.9Å; A157-L160 PolarHBondContact O-N 3.45Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 3.02Å; L160-I164 HydrophobicContact CD1-CD1 4.02Å; L160-I164 HydrophobicContact CG-CD1 4.17Å; L160-I164 WeakPolarHBondContact O-CG1 3.08Å; L160-I164 PolarHBondContact O-N 3.17Å; L160-Q210 VanDerWaalsContact CA-NE2 3.3Å; L160-Q210 HydrophobicContact CB-CG 4.38Å; L160-Q210 HydrophobicContact CD1-CB 4.31Å; L160-Q210 HydrophobicContact CD1-CG 3.32Å; L160-Q210 HydrophobicContact CG-CG 4.43Å
161T84.3Confident84.9Confident14 Ų1441.3 Ų41.39%0.08623%0.231CC..Hα-helixtrans-65.9-46.3178.148.20000112.3T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.23Å; L98-T161 VanDerWaalsContact CA-CG2 3.43Å; L98-T161 HydrophobicContact CB-CG2 4.01Å; L98-T161 HydrophobicContact CD1-CG2 3.97Å; N101-T161 HydrophobicContact CB-CG2 4.3Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.29Å; N101-T161 PolarHBondContact ND2-N 3.41Å; A157-T161 PolarHBondContact O-N 3.32Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 3.2Å; V158-T161 WeakPolarHBondContact CA-OG1 3.25Å; V158-T161 PolarHBondContact O-N 3Å; V158-T161 PolarHBondContact O-OG1 3.38Å; T161-N163 PolarHBondContact O-N 2.96Å; T161-I164 PolarHBondContact O-N 3.38Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.3Å; T161-T165 WeakPolarHBondContact O-CG2 3.4Å; T161-T165 PolarHBondContact O-N 2.95Å; T161-T165 PolarHBondContact O-OG1 3.41Å
162A84Confident85.1Confident42 Ų4240.8 Ų40.835%0.34723%0.226SC..Hα-helixtrans-63.9-44.4-172.300000110.8V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.42Å; V158-A162 PolarHBondContact O-N 3Å; A162-T165 PolarHBondContact O-OG1 3.25Å; A162-A166 WeakPolarHBondContact O-CB 3.23Å; A162-A166 PolarHBondContact O-N 3.05Å
163N87.6Confident85.5Confident60 Ų6041.8 Ų41.832%0.32123%0.233SC..Hα-helixtrans-63.9-48.2-179.3-69.4-6.4000111.5R159 T161 G167 V206R159-N163 WeakPolarHBondContact O-CB 3.38Å; R159-N163 VanDerWaalsContact O-CG 3.29Å; R159-N163 PolarHBondContact O-N 3.33Å; R159-N163 PolarHBondContact O-ND2 2.92Å; T161-N163 PolarHBondContact O-N 2.96Å; N163-G167 PolarHBondContact O-N 3.22Å; N163-V206 HydrophobicContact CB-CG1 4.08Å
164I84.4Confident86.1Confident5 Ų543 Ų433%0.02624%0.239CC..Hα-helixtrans-70.8-41.3-176.9-59.3171.8000111.2N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.35Å; N83-I164 VanDerWaalsContact CG-CD1 3.45Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.36Å; T93-I164 HydrophobicContact CG2-CG2 4.26Å; T95-I164 VanDerWaalsContact OG1-CD1 3.3Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.26Å; T96-I164 HydrophobicContact CG2-CB 4.4Å; T96-I164 HydrophobicContact CG2-CG2 3.68Å; L160-I164 HydrophobicContact CD1-CD1 4.02Å; L160-I164 HydrophobicContact CG-CD1 4.17Å; L160-I164 WeakPolarHBondContact O-CG1 3.08Å; L160-I164 PolarHBondContact O-N 3.17Å; T161-I164 PolarHBondContact O-N 3.38Å; I164-H168 WeakPolarHBondContact O-CB 3.48Å; I164-H168 PolarHBondContact O-CD2 3.29Å; I164-H168 VanDerWaalsContact O-CD2 3.27Å; I164-H168 PolarHBondContact O-N 3.07Å; I164-H168 VanDerWaalsContact O-N 3.08Å
165T87Confident86.5Confident37 Ų3740.4 Ų40.423%0.22723%0.232CC..Hα-helixtrans-65.6-47177.353.20000111.8F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.44Å; F9-T165 HydrophobicContact CE1-CG2 4.16Å; T96-T165 HydrophobicContact CG2-CG2 3.75Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.3Å; T161-T165 WeakPolarHBondContact O-CG2 3.4Å; T161-T165 PolarHBondContact O-N 2.95Å; T161-T165 PolarHBondContact O-OG1 3.41Å; A162-T165 PolarHBondContact O-OG1 3.25Å; T165-H168 PolarHBondContact O-N 3.23Å; T165-L169 WeakPolarHBondContact O-CB 3.41Å; T165-L169 WeakPolarHBondContact O-CG 3.36Å; T165-L169 PolarHBondContact O-N 3.32Å
166A86.9Confident86.7Confident55 Ų5541.1 Ų41.146%0.45524%0.235SC..Hα-helixtrans-63.5-44.1178.100000111.5A162 H168 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.23Å; A162-A166 PolarHBondContact O-N 3.05Å; A166-H168 PolarHBondContact O-N 2.98Å; A166-L169 PolarHBondContact O-N 3.13Å; A166-L170 VanDerWaalsContact O-CB 3.23Å; A166-L170 WeakPolarHBondContact O-CB 3.22Å; A166-L170 PolarHBondContact O-N 3.17Å
167G87.6Confident87.2Confident5 Ų543 Ų435%0.05225%0.251CS..Hα-helixtrans-58.7-47.5177.600000112.5N163 L170 M171 E203N163-G167 PolarHBondContact O-N 3.22Å; G167-L170 PolarHBondContact O-N 3.44Å; G167-M171 WeakPolarHBondContact O-CG 3.35Å; G167-M171 PolarHBondContact O-N 3.38Å; G167-E203 WeakPolarHBondContact CA-OE2 3.46Å
168H88Confident87.6Confident32 Ų3244.1 Ų44.115%0.14826%0.258CS..Hα-helixtrans-62.8-43.6175.7-89.5-89.9000113.5F9 G86 I164 T165 A166 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.11Å; F9-H168 HydrophobicContact CZ-CB 3.83Å; G86-H168 PolarHBondContact O-CE1 2.81Å; G86-H168 PolarHBondContact O-NE2 2.99Å; G86-H168 VanDerWaalsContact O-NE2 3.13Å; I164-H168 WeakPolarHBondContact O-CB 3.48Å; I164-H168 PolarHBondContact O-CD2 3.29Å; I164-H168 VanDerWaalsContact O-CD2 3.27Å; I164-H168 PolarHBondContact O-N 3.07Å; I164-H168 VanDerWaalsContact O-N 3.08Å; T165-H168 PolarHBondContact O-N 3.23Å; A166-H168 PolarHBondContact O-N 2.98Å; H168-L170 VanDerWaalsContact C-N 3.31Å; H168-L170 PolarHBondContact O-N 3.05Å; H168-M171 PolarHBondContact O-N 2.93Å; H168-H172 PolarHBondContact O-N 3.24Å
169L87.9Confident87.8Confident41 Ų4147.3 Ų47.322%0.21527%0.272CS..Hα-helixtrans-61.5-42.4175.5-77.9169.2000111.3F6 F9 T165 A166 H172 L173F6-L169 HydrophobicContact CD1-CD2 4.38Å; F6-L169 HydrophobicContact CE1-CD1 4.1Å; F6-L169 HydrophobicContact CE1-CD2 4Å; F6-L169 HydrophobicContact CZ-CD2 4.4Å; F9-L169 HydrophobicContact CE2-CD1 4.47Å; F9-L169 HydrophobicContact CE2-CD2 3.71Å; F9-L169 HydrophobicContact CE2-CG 3.78Å; F9-L169 HydrophobicContact CZ-CD2 4.34Å; F9-L169 HydrophobicContact CZ-CG 3.94Å; T165-L169 WeakPolarHBondContact O-CB 3.41Å; T165-L169 WeakPolarHBondContact O-CG 3.36Å; T165-L169 PolarHBondContact O-N 3.32Å; A166-L169 PolarHBondContact O-N 3.13Å; L169-H172 PolarHBondContact O-N 3.12Å; L169-L173 WeakPolarHBondContact O-CB 3.29Å; L169-L173 VanDerWaalsContact O-CG 3.32Å; L169-L173 WeakPolarHBondContact O-CG 3.3Å; L169-L173 PolarHBondContact O-N 3.01Å
170L89.9Confident87.9Confident75 Ų7544.8 Ų44.839%0.39327%0.273SS..Hα-helixtrans-66.8-43.4-179.3-155.9170.7000110.8A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.23Å; A166-L170 WeakPolarHBondContact O-CB 3.22Å; A166-L170 PolarHBondContact O-N 3.17Å; G167-L170 PolarHBondContact O-N 3.44Å; H168-L170 VanDerWaalsContact C-N 3.31Å; H168-L170 PolarHBondContact O-N 3.05Å; L170-H172 VanDerWaalsContact C-N 3.32Å; L170-H172 PolarHBondContact O-N 3.34Å; L170-L173 PolarHBondContact O-N 2.76Å; L170-I174 HydrophobicContact CD2-CD1 3.23Å; L170-I174 HydrophobicContact CD2-CG1 3.82Å; L170-I174 PolarHBondContact O-N 3.18Å; L170-L199 HydrophobicContact CB-CD2 4.47Å; L170-L199 HydrophobicContact CD1-CD1 4.01Å; L170-L199 HydrophobicContact CD2-CD1 3.22Å; L170-L199 HydrophobicContact CD2-CD2 3.85Å; L170-L199 HydrophobicContact CD2-CG 4.14Å; L170-L199 HydrophobicContact CG-CD1 4.16Å
171M90.6Very high88.3Confident31 Ų3148.2 Ų48.215%0.15329%0.29CS..Hα-helixtrans-56.9-44.5171.6-75.7-171.6-71.300112L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 4.02Å; G167-M171 WeakPolarHBondContact O-CG 3.35Å; G167-M171 PolarHBondContact O-N 3.38Å; H168-M171 PolarHBondContact O-N 2.93Å; M171-G175 PolarHBondContact O-N 3.32Å; M171-L199 HydrophobicContact CB-CD2 4.24Å; M171-L199 HydrophobicContact CG-CD2 3.25Å; M171-T200 HydrophobicContact SD-CG2 3.85Å; M171-E203 HydrophobicContact CE-CG 4.16Å
172H89.1Confident88.4Confident89 Ų8951.1 Ų51.141%0.41231%0.311SS..Hα-helixtrans-67.9-41.1179.6-168.6-58000112.1L5 H168 L169 L170 G175 S176L5-H172 WeakPolarHBondContact CD2-CE1 3.37Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.38Å; H168-H172 PolarHBondContact O-N 3.24Å; L169-H172 PolarHBondContact O-N 3.12Å; L170-H172 VanDerWaalsContact C-N 3.32Å; L170-H172 PolarHBondContact O-N 3.34Å; H172-G175 PolarHBondContact O-N 2.94Å; H172-S176 WeakPolarHBondContact O-CB 3.42Å; H172-S176 PolarHBondContact O-N 3.35Å; H172-S176 PolarHBondContact O-OG 3.47Å
173L89.9Confident88.6Confident92 Ų9255 Ų5548%0.48233%0.33SS..Hα-helixtrans-64-48.4178.5-74.3171.9000111.2L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 4.11Å; L5-L173 HydrophobicContact CD2-CD2 4.45Å; L169-L173 WeakPolarHBondContact O-CB 3.29Å; L169-L173 VanDerWaalsContact O-CG 3.32Å; L169-L173 WeakPolarHBondContact O-CG 3.3Å; L169-L173 PolarHBondContact O-N 3.01Å; L170-L173 PolarHBondContact O-N 2.76Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 2.88Å; L173-S176 PolarHBondContact O-N 3Å; L173-S176 PolarHBondContact O-OG 3.48Å; L173-A177 WeakPolarHBondContact O-CB 3.47Å; L173-A177 PolarHBondContact O-N 2.99Å
174I91.1Very high88.6Confident35 Ų3557.1 Ų57.118%0.17934%0.341CS..Hα-helixtrans-64.3-41.3176.5-66.5179000110.5L170 S176 A177 T178 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.23Å; L170-I174 HydrophobicContact CD2-CG1 3.82Å; L170-I174 PolarHBondContact O-N 3.18Å; I174-S176 VanDerWaalsContact C-N 3.32Å; I174-S176 PolarHBondContact O-N 3.41Å; I174-A177 WeakPolarHBondContact O-CB 3.29Å; I174-A177 PolarHBondContact O-N 2.89Å; I174-A177 VanDerWaalsContact O-N 3.16Å; I174-T178 HydrophobicContact CG2-CG2 3.96Å; I174-T178 WeakPolarHBondContact O-CG2 3.24Å; I174-T178 PolarHBondContact O-N 3.42Å; I174-I195 HydrophobicContact CD1-CG2 3.98Å; I174-L196 HydrophobicContact CB-CD1 4.24Å; I174-L196 HydrophobicContact CG2-CB 3.95Å; I174-L196 HydrophobicContact CG2-CD1 4.01Å; I174-L199 HydrophobicContact CD1-CD1 4.19Å
175G90.3Very high88.8Confident23 Ų2361.4 Ų61.424%0.23736%0.364CS..Hα-helixtrans-60.5-38.5175.300000113.3M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 3.32Å; H172-G175 PolarHBondContact O-N 2.94Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 2.88Å; G175-T178 PolarHBondContact O-OG1 2.88Å; G175-L179 WeakPolarHBondContact O-CB 3.1Å; G175-L179 PolarHBondContact O-N 3.41Å; G175-L179 VanDerWaalsContact O-N 3.15Å
176S89.1Confident88.8Confident57 Ų5766.2 Ų66.240%0.39939%0.387SS..Hα-helixtrans-70-36.1174.471.80000112.3H172 L173 I174 L179 A180H172-S176 WeakPolarHBondContact O-CB 3.42Å; H172-S176 PolarHBondContact O-N 3.35Å; H172-S176 PolarHBondContact O-OG 3.47Å; L173-S176 PolarHBondContact O-N 3Å; L173-S176 PolarHBondContact O-OG 3.48Å; I174-S176 VanDerWaalsContact C-N 3.32Å; I174-S176 PolarHBondContact O-N 3.41Å; S176-L179 PolarHBondContact O-N 3.27Å; S176-A180 WeakPolarHBondContact O-CB 3.41Å; S176-A180 PolarHBondContact O-N 3.44Å
177A88.6Confident88.9Confident47 Ų4768 Ų6839%0.38839%0.394SS..Hα-helixtrans-68.2-41.8175.800000111.6L173 I174 L179 A180 M181L173-A177 WeakPolarHBondContact O-CB 3.47Å; L173-A177 PolarHBondContact O-N 2.99Å; I174-A177 WeakPolarHBondContact O-CB 3.29Å; I174-A177 PolarHBondContact O-N 2.89Å; I174-A177 VanDerWaalsContact O-N 3.16Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 3.33Å; A177-A180 PolarHBondContact O-N 3.46Å; A177-M181 WeakPolarHBondContact O-CB 3.22Å; A177-M181 WeakPolarHBondContact O-CG 3.48Å; A177-M181 PolarHBondContact O-N 3.02Å
178T90.9Very high89Confident23 Ų2369.5 Ų69.514%0.14140%0.404CS..Hα-helixtrans-62.4-40.717767.10000110.7I174 G175 M181 S182 S192I174-T178 HydrophobicContact CG2-CG2 3.96Å; I174-T178 WeakPolarHBondContact O-CG2 3.24Å; I174-T178 PolarHBondContact O-N 3.42Å; G175-T178 PolarHBondContact O-OG1 2.88Å; T178-M181 PolarHBondContact O-N 3.47Å; T178-S182 PolarHBondContact O-N 2.98Å; T178-S192 WeakPolarHBondContact CB-OG 3.5Å; T178-S192 WeakPolarHBondContact CG2-OG 3.48Å
179L89.9Confident89.2Confident128 Ų12869 Ų6967%0.6740%0.403SS*.Hα-helixtrans-66.1-42176.1-166.8126.5000111.9G175 S176 A177 S182G175-L179 WeakPolarHBondContact O-CB 3.1Å; G175-L179 PolarHBondContact O-N 3.41Å; G175-L179 VanDerWaalsContact O-N 3.15Å; S176-L179 PolarHBondContact O-N 3.27Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 3.33Å; L179-S182 WeakPolarHBondContact O-CB 3.48Å; L179-S182 PolarHBondContact O-N 2.91Å; L179-S182 PolarHBondContact O-OG 2.99Å
180A89.1Confident89.3Confident50 Ų5072.5 Ų72.541%0.41342%0.422SS..Hα-helixtrans-64.3-45.4174.700000112.1S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.41Å; S176-A180 PolarHBondContact O-N 3.44Å; A177-A180 PolarHBondContact O-N 3.46Å; A180-S182 PolarHBondContact O-N 3.29Å; A180-T183 PolarHBondContact O-N 2.99Å; A180-T183 PolarHBondContact O-OG1 2.85Å
181M87.4Confident89.5Confident72 Ų7274 Ų7436%0.35543%0.429SS..Hα-helixtrans-62.7-25.3177.5-67.4-76.2114.500112.4A177 T178 T183 I184 N185 T189A177-M181 WeakPolarHBondContact O-CB 3.22Å; A177-M181 WeakPolarHBondContact O-CG 3.48Å; A177-M181 PolarHBondContact O-N 3.02Å; T178-M181 PolarHBondContact O-N 3.47Å; M181-T183 PolarHBondContact O-N 3.3Å; M181-I184 HydrophobicContact CE-CD1 3.8Å; M181-I184 PolarHBondContact O-N 3.47Å; M181-N185 PolarHBondContact O-N 3.33Å; M181-T189 HydrophobicContact CB-CG2 3.87Å; M181-T189 WeakPolarHBondContact O-CG2 3.32Å
182S88Confident89.5Confident75 Ų7573.3 Ų73.352%0.52443%0.427SS..Hα-helixtrans-60-28.5179.679.60000113.3T178 L179 A180 T189T178-S182 PolarHBondContact O-N 2.98Å; L179-S182 WeakPolarHBondContact O-CB 3.48Å; L179-S182 PolarHBondContact O-N 2.91Å; L179-S182 PolarHBondContact O-OG 2.99Å; A180-S182 PolarHBondContact O-N 3.29Å; S182-T189 VanDerWaalsContact N-CG2 3.31Å
183T87.8Confident89.7Confident122 Ų12274.7 Ų74.775%0.74843%0.432SS*.THydrogen-bonded Turntrans-82.3-17178.566.30000113.4A180 M181A180-T183 PolarHBondContact O-N 2.99Å; A180-T183 PolarHBondContact O-OG1 2.85Å; M181-T183 PolarHBondContact O-N 3.3Å
184I87.7Confident89.9Confident105 Ų10573.8 Ų73.854%0.53843%0.431SS..THydrogen-bonded Turntrans-97.9-65.7-173.1-56.1172.1000110.4M181M181-I184 HydrophobicContact CE-CD1 3.8Å; M181-I184 PolarHBondContact O-N 3.47Å
185N87.6Confident90Very high96 Ų9676.1 Ų76.151%0.51344%0.443SS..  trans-151125.2-170.5-83-24.3000112.7M181 S188 T189M181-N185 PolarHBondContact O-N 3.33Å; N185-S188 PolarHBondContact O-N 2.88Å; N185-S188 PolarHBondContact O-OG 3.44Å; N185-T189 VanDerWaalsContact O-CG2 3.28Å; N185-T189 WeakPolarHBondContact O-CG2 3.42Å; N185-T189 PolarHBondContact O-N 2.99Å
186L87.9Confident90.2Very high137 Ų13776.7 Ų76.772%0.71744%0.44SS*.Hα-helixtrans-57.4-40.4178.1-165.273.3000116S188 T189 L190L186-S188 VanDerWaalsContact C-N 3.34Å; L186-S188 PolarHBondContact O-N 3.12Å; L186-T189 PolarHBondContact O-N 3.34Å; L186-T189 PolarHBondContact O-OG1 2.59Å; L186-L190 PolarHBondContact O-N 3.27Å
187P89.5Confident90.4Very high93 Ų9377.6 Ų77.660%0.60444%0.44SS*.Hα-helixtrans-67.8-35179.923.4-32.5000112.5T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.32Å; P187-T189 PolarHBondContact O-N 3.33Å; P187-L190 PolarHBondContact O-N 3.07Å; P187-I191 WeakPolarHBondContact O-CG1 3.45Å; P187-I191 PolarHBondContact O-N 3.45Å
188S87.9Confident90.7Very high37 Ų3781.2 Ų81.226%0.25945%0.452SS..Hα-helixtrans-68-33.8177.570.90000112.3N185 L186 I191 S192N185-S188 PolarHBondContact O-N 2.88Å; N185-S188 PolarHBondContact O-OG 3.44Å; L186-S188 VanDerWaalsContact C-N 3.34Å; L186-S188 PolarHBondContact O-N 3.12Å; S188-I191 PolarHBondContact O-N 3.38Å; S188-S192 PolarHBondContact O-N 3Å
189T92.2Very high90.8Very high21 Ų2181.2 Ų81.213%0.12945%0.451CS..Hα-helixtrans-69.3-41.6179.4650000110.9M181 S182 N185 L186 P187 I191 S192 F193M181-T189 HydrophobicContact CB-CG2 3.87Å; M181-T189 WeakPolarHBondContact O-CG2 3.32Å; S182-T189 VanDerWaalsContact N-CG2 3.31Å; N185-T189 VanDerWaalsContact O-CG2 3.28Å; N185-T189 WeakPolarHBondContact O-CG2 3.42Å; N185-T189 PolarHBondContact O-N 2.99Å; L186-T189 PolarHBondContact O-N 3.34Å; L186-T189 PolarHBondContact O-OG1 2.59Å; P187-T189 VanDerWaalsContact C-N 3.32Å; P187-T189 PolarHBondContact O-N 3.33Å; T189-I191 VanDerWaalsContact C-N 3.28Å; T189-I191 PolarHBondContact O-N 3.35Å; T189-S192 WeakPolarHBondContact CA-OG 3.13Å; T189-S192 PolarHBondContact O-N 2.8Å; T189-S192 VanDerWaalsContact O-N 3.15Å; T189-S192 PolarHBondContact O-OG 2.97Å; T189-F193 VanDerWaalsContact O-CB 3.29Å; T189-F193 WeakPolarHBondContact O-CB 3.03Å; T189-F193 PolarHBondContact O-N 3.39Å
190L91.9Very high90.8Very high114 Ų11477.6 Ų77.660%0.59743%0.434SS*.Hα-helixtrans-59.5-42.3178.9-148.5114.1000110.9L186 P187 F193 T194L186-L190 PolarHBondContact O-N 3.27Å; P187-L190 PolarHBondContact O-N 3.07Å; L190-F193 PolarHBondContact O-N 3.34Å; L190-T194 WeakPolarHBondContact O-CG2 3.35Å; L190-T194 PolarHBondContact O-N 3.47Å; L190-T194 PolarHBondContact O-OG1 3.31Å
191I92.8Very high91Very high106 Ų10680 Ų8054%0.54444%0.439SS..Hα-helixtrans-63.7-47.1175.1-63.2162.9000111.1P187 S188 T189 F193 T194 I195P187-I191 WeakPolarHBondContact O-CG1 3.45Å; P187-I191 PolarHBondContact O-N 3.45Å; S188-I191 PolarHBondContact O-N 3.38Å; T189-I191 VanDerWaalsContact C-N 3.28Å; T189-I191 PolarHBondContact O-N 3.35Å; I191-F193 VanDerWaalsContact C-N 3.26Å; I191-F193 PolarHBondContact O-N 2.95Å; I191-T194 PolarHBondContact O-N 2.86Å; I191-T194 PolarHBondContact O-OG1 3.21Å; I191-I195 HydrophobicContact CG2-CD1 4.22Å; I191-I195 WeakPolarHBondContact O-CG1 3.27Å; I191-I195 PolarHBondContact O-N 2.9Å
192S91.4Very high91.2Very high18 Ų1881.4 Ų81.413%0.12645%0.448CS..Hα-helixtrans-64.3-33.2178.770.40000112.6T178 S188 T189 I195 L196T178-S192 WeakPolarHBondContact CB-OG 3.5Å; T178-S192 WeakPolarHBondContact CG2-OG 3.48Å; S188-S192 PolarHBondContact O-N 3Å; T189-S192 WeakPolarHBondContact CA-OG 3.13Å; T189-S192 PolarHBondContact O-N 2.8Å; T189-S192 VanDerWaalsContact O-N 3.15Å; T189-S192 PolarHBondContact O-OG 2.97Å; S192-I195 PolarHBondContact O-N 3.31Å; S192-L196 PolarHBondContact O-N 3.43Å
193F92.6Very high91.4Very high117 Ų11778.5 Ų78.551%0.51343%0.426SS..Hα-helixtrans-73.2-38.5179-174.1-105.7000112.1T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.29Å; T189-F193 WeakPolarHBondContact O-CB 3.03Å; T189-F193 PolarHBondContact O-N 3.39Å; L190-F193 PolarHBondContact O-N 3.34Å; I191-F193 VanDerWaalsContact C-N 3.26Å; I191-F193 PolarHBondContact O-N 2.95Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 2.97Å; F193-L196 WeakPolarHBondContact O-CB 3.25Å; F193-L196 PolarHBondContact O-N 3.19Å; F193-I197 HydrophobicContact CD1-CD1 3.78Å; F193-I197 HydrophobicContact CE1-CD1 3.45Å; F193-I197 VanDerWaalsContact CE1-CD1 3.45Å; F193-I197 HydrophobicContact CE1-CG1 4.26Å; F193-I197 HydrophobicContact CZ-CD1 4.07Å; F193-I197 HydrophobicContact CZ-CG1 4.47Å; F193-I197 WeakPolarHBondContact O-CG1 3.45Å; F193-I197 PolarHBondContact O-N 2.91Å
194T93.8Very high91.5Very high74 Ų7476.7 Ų76.745%0.45441%0.41SS..Hα-helixtrans-63.8-38.3173560000111.5L190 I191 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.35Å; L190-T194 PolarHBondContact O-N 3.47Å; L190-T194 PolarHBondContact O-OG1 3.31Å; I191-T194 PolarHBondContact O-N 2.86Å; I191-T194 PolarHBondContact O-OG1 3.21Å; T194-I197 PolarHBondContact O-N 2.97Å; T194-L198 PolarHBondContact O-N 3.41Å
195I94.3Very high91.7Very high84 Ų8473.8 Ų73.843%0.43140%0.402SS..Hα-helixtrans-62-43.3173.3-64.4166.7000110.7I174 I191 S192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 3.98Å; I191-I195 HydrophobicContact CG2-CD1 4.22Å; I191-I195 WeakPolarHBondContact O-CG1 3.27Å; I191-I195 PolarHBondContact O-N 2.9Å; S192-I195 PolarHBondContact O-N 3.31Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 2.97Å; I195-I197 VanDerWaalsContact C-N 3.35Å; I195-I197 PolarHBondContact O-N 3.49Å; I195-L198 PolarHBondContact O-N 3.26Å; I195-L199 WeakPolarHBondContact O-CB 3.25Å; I195-L199 PolarHBondContact O-N 2.87Å
196L93.4Very high91.9Very high34 Ų3471.1 Ų71.118%0.17839%0.389CS..Hα-helixtrans-59.2-44.3176.8-176.166.2000111.8I174 S192 F193 L199 T200I174-L196 HydrophobicContact CB-CD1 4.24Å; I174-L196 HydrophobicContact CG2-CB 3.95Å; I174-L196 HydrophobicContact CG2-CD1 4.01Å; S192-L196 PolarHBondContact O-N 3.43Å; F193-L196 WeakPolarHBondContact O-CB 3.25Å; F193-L196 PolarHBondContact O-N 3.19Å; L196-L199 PolarHBondContact O-N 3.15Å; L196-T200 WeakPolarHBondContact O-CG2 3.38Å; L196-T200 PolarHBondContact O-N 2.95Å
197I93.1Very high91.9Very high77 Ų7764.8 Ų64.840%0.39536%0.357SS..Hα-helixtrans-62.8-43.4176.3-67.7165.6000111.3F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.78Å; F193-I197 HydrophobicContact CE1-CD1 3.45Å; F193-I197 VanDerWaalsContact CE1-CD1 3.45Å; F193-I197 HydrophobicContact CE1-CG1 4.26Å; F193-I197 HydrophobicContact CZ-CD1 4.07Å; F193-I197 HydrophobicContact CZ-CG1 4.47Å; F193-I197 WeakPolarHBondContact O-CG1 3.45Å; F193-I197 PolarHBondContact O-N 2.91Å; T194-I197 PolarHBondContact O-N 2.97Å; I195-I197 VanDerWaalsContact C-N 3.35Å; I195-I197 PolarHBondContact O-N 3.49Å; I197-L199 PolarHBondContact O-N 2.88Å; I197-T200 PolarHBondContact O-N 2.8Å; I197-T200 PolarHBondContact O-OG1 3.48Å; I197-I201 HydrophobicContact CG2-CD1 4.1Å; I197-I201 WeakPolarHBondContact O-CG1 3.41Å; I197-I201 PolarHBondContact O-N 3.18Å
198L94.8Very high91.9Very high122 Ų12265.9 Ų65.964%0.63936%0.357SS*.Hα-helixtrans-62.3-38.4178.2-175.264.6000111.1T194 I195 I201 L202T194-L198 PolarHBondContact O-N 3.41Å; I195-L198 PolarHBondContact O-N 3.26Å; L198-I201 PolarHBondContact O-N 3.41Å; L198-L202 PolarHBondContact O-N 3.01Å
199L93.3Very high92Very high24 Ų2468.7 Ų68.713%0.12637%0.368CS..Hα-helixtrans-68.9-38.4179.3-163116.5000112.7L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.47Å; L170-L199 HydrophobicContact CD1-CD1 4.01Å; L170-L199 HydrophobicContact CD2-CD1 3.22Å; L170-L199 HydrophobicContact CD2-CD2 3.85Å; L170-L199 HydrophobicContact CD2-CG 4.14Å; L170-L199 HydrophobicContact CG-CD1 4.16Å; M171-L199 HydrophobicContact CB-CD2 4.24Å; M171-L199 HydrophobicContact CG-CD2 3.25Å; I174-L199 HydrophobicContact CD1-CD1 4.19Å; I195-L199 WeakPolarHBondContact O-CB 3.25Å; I195-L199 PolarHBondContact O-N 2.87Å; L196-L199 PolarHBondContact O-N 3.15Å; I197-L199 PolarHBondContact O-N 2.88Å; L199-I201 VanDerWaalsContact C-N 3.32Å; L199-I201 PolarHBondContact O-N 3.36Å; L199-L202 WeakPolarHBondContact O-CB 3.34Å; L199-L202 PolarHBondContact O-N 3.48Å; L199-E203 PolarHBondContact O-N 3.16Å
200T91.4Very high91.8Very high52 Ų5268.2 Ų68.232%0.31936%0.364SS..Hα-helixtrans-65-38.5175.457.40000111.4M171 L196 I197 L202 E203 I204M171-T200 HydrophobicContact SD-CG2 3.85Å; L196-T200 WeakPolarHBondContact O-CG2 3.38Å; L196-T200 PolarHBondContact O-N 2.95Å; I197-T200 PolarHBondContact O-N 2.8Å; I197-T200 PolarHBondContact O-OG1 3.48Å; T200-L202 VanDerWaalsContact C-N 3.35Å; T200-E203 PolarHBondContact O-N 3.38Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.4Å; T200-I204 PolarHBondContact O-N 3.16Å
201I92.8Very high91.7Very high101 Ų10162.8 Ų62.852%0.51834%0.336SS..Hα-helixtrans-62.3-44.1173.9-65.5166.6000110.8I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.1Å; I197-I201 WeakPolarHBondContact O-CG1 3.41Å; I197-I201 PolarHBondContact O-N 3.18Å; L198-I201 PolarHBondContact O-N 3.41Å; L199-I201 VanDerWaalsContact C-N 3.32Å; L199-I201 PolarHBondContact O-N 3.36Å; I201-E203 VanDerWaalsContact C-N 3.34Å; I201-E203 PolarHBondContact O-N 3.27Å; I201-I204 PolarHBondContact O-N 3.44Å; I201-A205 PolarHBondContact O-N 3.02Å; I201-A205 VanDerWaalsContact O-N 3.16Å
202L91.9Very high91.5Very high101 Ų10162.7 Ų62.753%0.52933%0.33SS..Hα-helixtrans-59.5-45.9176.1179.768000111L198 L199 T200 I204 A205 V206L198-L202 PolarHBondContact O-N 3.01Å; L199-L202 WeakPolarHBondContact O-CB 3.34Å; L199-L202 PolarHBondContact O-N 3.48Å; T200-L202 VanDerWaalsContact C-N 3.35Å; L202-I204 PolarHBondContact O-N 2.9Å; L202-A205 WeakPolarHBondContact O-CB 3.32Å; L202-A205 PolarHBondContact O-N 3.26Å; L202-A205 VanDerWaalsContact O-N 3.12Å; L202-V206 HydrophobicContact CD1-CG2 4.36Å; L202-V206 HydrophobicContact CG-CG2 4.33Å; L202-V206 WeakPolarHBondContact O-CG2 3.5Å; L202-V206 PolarHBondContact O-N 3.48Å
203E90.8Very high91.5Very high14 Ų1463.8 Ų63.87%0.06534%0.336CS..Hα-helixtrans-66.9-36.7-176.9-162.564.6-161.100112.1L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.42Å; L87-E203 HydrophobicContact CD2-CB 4.18Å; L87-E203 HydrophobicContact CD2-CG 3.38Å; G167-E203 WeakPolarHBondContact CA-OE2 3.46Å; M171-E203 HydrophobicContact CE-CG 4.16Å; L199-E203 PolarHBondContact O-N 3.16Å; T200-E203 PolarHBondContact O-N 3.38Å; I201-E203 VanDerWaalsContact C-N 3.34Å; I201-E203 PolarHBondContact O-N 3.27Å; E203-A205 VanDerWaalsContact C-N 3.31Å; E203-A205 PolarHBondContact O-N 2.93Å; E203-V206 PolarHBondContact O-N 3.32Å; E203-A207 VanDerWaalsContact O-CB 3.29Å; E203-A207 WeakPolarHBondContact O-CB 3.43Å; E203-A207 PolarHBondContact O-N 3.02Å
204I90.8Very high91.2Very high83 Ų8358.2 Ų58.243%0.42631%0.311SS..Hα-helixtrans-59.7-43.3171.7-67.3164.7000110.7L84 L87 T200 I201 L202 L208L84-I204 HydrophobicContact CD1-CG2 4.28Å; L87-I204 HydrophobicContact CD1-CB 4.2Å; L87-I204 HydrophobicContact CD1-CG1 3.61Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.4Å; T200-I204 PolarHBondContact O-N 3.16Å; I201-I204 PolarHBondContact O-N 3.44Å; L202-I204 PolarHBondContact O-N 2.9Å; I204-L208 PolarHBondContact O-N 3.11Å
205A91.5Very high90.9Very high45 Ų4554.7 Ų54.737%0.37229%0.29SS..Hα-helixtrans-65.4-45.6177.400000111.6I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 3.02Å; I201-A205 VanDerWaalsContact O-N 3.16Å; L202-A205 WeakPolarHBondContact O-CB 3.32Å; L202-A205 PolarHBondContact O-N 3.26Å; L202-A205 VanDerWaalsContact O-N 3.12Å; E203-A205 VanDerWaalsContact C-N 3.31Å; E203-A205 PolarHBondContact O-N 2.93Å; A205-A207 PolarHBondContact O-N 2.92Å; A205-L208 PolarHBondContact O-N 2.97Å; A205-I209 WeakPolarHBondContact O-CB 3.44Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.28Å; A205-I209 PolarHBondContact O-N 3.07Å
206V91.5Very high90.6Very high39 Ų3953.6 Ų53.624%0.23628%0.284CS..Hα-helixtrans-61.7-42.5178.2173.20000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.08Å; L202-V206 HydrophobicContact CD1-CG2 4.36Å; L202-V206 HydrophobicContact CG-CG2 4.33Å; L202-V206 WeakPolarHBondContact O-CG2 3.5Å; L202-V206 PolarHBondContact O-N 3.48Å; E203-V206 PolarHBondContact O-N 3.32Å; V206-L208 VanDerWaalsContact C-N 3.31Å; V206-L208 PolarHBondContact O-N 2.88Å; V206-I209 PolarHBondContact O-N 2.97Å; V206-Q210 WeakPolarHBondContact O-CB 3.06Å; V206-Q210 PolarHBondContact O-N 3.23Å
207A88.9Confident90.2Very high4 Ų453.7 Ų53.73%0.03329%0.285CS..Hα-helixtrans-57.3-41.8178.200000112.9N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.92Å; N83-A207 PolarHBondContact ND2-O 3.43Å; L87-A207 HydrophobicContact CD1-CB 4.09Å; E203-A207 VanDerWaalsContact O-CB 3.29Å; E203-A207 WeakPolarHBondContact O-CB 3.43Å; E203-A207 PolarHBondContact O-N 3.02Å; A205-A207 PolarHBondContact O-N 2.92Å; A207-A211 PolarHBondContact O-N 3Å
208L88.5Confident89.8Confident116 Ų11650.4 Ų50.461%0.60727%0.268SS*.Hα-helixtrans-75.4-45.5179-168.9151.8000111.9I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 3.11Å; A205-L208 PolarHBondContact O-N 2.97Å; V206-L208 VanDerWaalsContact C-N 3.31Å; V206-L208 PolarHBondContact O-N 2.88Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 3.3Å; L208-A211 PolarHBondContact O-N 3.27Å; L208-Y212 PolarHBondContact O-N 3.43Å
209I90.4Very high89.3Confident96 Ų9645 Ų4549%0.49224%0.241SC..Hα-helixtrans-60.4-40.6178.5-69167000110.3A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.44Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.28Å; A205-I209 PolarHBondContact O-N 3.07Å; V206-I209 PolarHBondContact O-N 2.97Å; I209-A211 PolarHBondContact O-N 2.6Å; I209-Y212 WeakPolarHBondContact O-CB 3.5Å; I209-Y212 PolarHBondContact O-N 2.75Å; I209-Y212 VanDerWaalsContact O-N 3.17Å; I209-V213 HydrophobicContact CG2-CG2 4.03Å; I209-V213 WeakPolarHBondContact O-CG2 3.49Å; I209-V213 PolarHBondContact O-N 3.28Å
210Q88.7Confident88.8Confident11 Ų1147.5 Ų47.55%0.05125%0.254CS..Hα-helixtrans-67.6-37-177.2-174.363.77.900112.3R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.28Å; R159-Q210 VanDerWaalsContact CG-NE2 3.32Å; L160-Q210 VanDerWaalsContact CA-NE2 3.3Å; L160-Q210 HydrophobicContact CB-CG 4.38Å; L160-Q210 HydrophobicContact CD1-CB 4.31Å; L160-Q210 HydrophobicContact CD1-CG 3.32Å; L160-Q210 HydrophobicContact CG-CG 4.43Å; V206-Q210 WeakPolarHBondContact O-CB 3.06Å; V206-Q210 PolarHBondContact O-N 3.23Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 3.3Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Q210-F214 VanDerWaalsContact O-CB 3.31Å; Q210-F214 WeakPolarHBondContact O-CB 3.46Å; Q210-F214 PolarHBondContact O-N 3.46Å
211A89.3Confident88.3Confident1 Ų146 Ų461%0.00824%0.242CC..Hα-helixtrans-62.2-42.1171.300000111.6I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.47Å; I79-A211 HydrophobicContact CB-CB 4.03Å; I79-A211 HydrophobicContact CG2-CB 3.77Å; A80-A211 HydrophobicContact CB-CB 3.94Å; A207-A211 PolarHBondContact O-N 3Å; L208-A211 PolarHBondContact O-N 3.27Å; I209-A211 PolarHBondContact O-N 2.6Å; A211-T215 VanDerWaalsContact O-CG2 3.28Å; A211-T215 WeakPolarHBondContact O-CG2 3.39Å; A211-T215 PolarHBondContact O-N 3.37Å; A211-T215 PolarHBondContact O-OG1 2.77Å
212Y89.3Confident87.7Confident103 Ų10341.3 Ų41.340%0.40422%0.218SC..Hα-helixtrans-64.7-49.5176.8176.9-100.8000112.5M57 I76 L208 I209 Q210 F214 T215 L216M57-Y212 HydrophobicContact CE-CD2 3.92Å; M57-Y212 HydrophobicContact CE-CE2 3.89Å; I76-Y212 HydrophobicContact CD1-CD2 4.21Å; L208-Y212 PolarHBondContact O-N 3.43Å; I209-Y212 WeakPolarHBondContact O-CB 3.5Å; I209-Y212 PolarHBondContact O-N 2.75Å; I209-Y212 VanDerWaalsContact O-N 3.17Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Y212-F214 VanDerWaalsContact C-N 3.3Å; Y212-F214 PolarHBondContact O-N 2.87Å; Y212-T215 PolarHBondContact O-N 3.35Å; Y212-T215 PolarHBondContact O-OG1 3.47Å; Y212-L216 HydrophobicContact CE1-CD1 3.65Å; Y212-L216 HydrophobicContact CE2-CD1 4.47Å; Y212-L216 VanDerWaalsContact O-CB 3.29Å; Y212-L216 WeakPolarHBondContact O-CB 3.43Å; Y212-L216 PolarHBondContact O-N 3.04Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.37Å
213V89.4Confident87.1Confident42 Ų4240.2 Ų40.226%0.25521%0.21SC..Hα-helixtrans-62.5-38.9179.7172.40000111.3I209 L217I209-V213 HydrophobicContact CG2-CG2 4.03Å; I209-V213 WeakPolarHBondContact O-CG2 3.49Å; I209-V213 PolarHBondContact O-N 3.28Å; V213-L217 HydrophobicContact CG1-CD1 3.93Å; V213-L217 WeakPolarHBondContact O-CG 3.13Å; V213-L217 PolarHBondContact O-N 3.03Å
214F86.7Confident86.4Confident0 Ų042.8 Ų42.80%022%0.224CC..Hα-helixtrans-58.3-52.3176.4-174-72.4000111L75 I79 A105 L108 L156 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.36Å; L75-F214 HydrophobicContact CD2-CD1 3.56Å; L75-F214 HydrophobicContact CD2-CE1 3.48Å; L75-F214 VanDerWaalsContact CD2-CE1 3.48Å; L75-F214 HydrophobicContact CG-CE1 4.34Å; I79-F214 HydrophobicContact CD1-CB 4.3Å; I79-F214 HydrophobicContact CD1-CD1 3.52Å; I79-F214 HydrophobicContact CD1-CD2 4.3Å; I79-F214 HydrophobicContact CD1-CE1 3.82Å; I79-F214 HydrophobicContact CD1-CG 3.79Å; I79-F214 HydrophobicContact CD1-CZ 4.33Å; A105-F214 HydrophobicContact CB-CE2 4.37Å; A105-F214 HydrophobicContact CB-CZ 4.19Å; L108-F214 HydrophobicContact CD1-CE1 4.12Å; L156-F214 HydrophobicContact CD1-CD2 4.27Å; L156-F214 HydrophobicContact CD1-CG 4.49Å; L156-F214 HydrophobicContact CD2-CD1 4.04Å; L156-F214 HydrophobicContact CD2-CD2 3.32Å; L156-F214 HydrophobicContact CD2-CE1 3.9Å; L156-F214 HydrophobicContact CD2-CE2 3.15Å; L156-F214 HydrophobicContact CD2-CG 3.78Å; L156-F214 HydrophobicContact CD2-CZ 3.47Å; L156-F214 VanDerWaalsContact CD2-CZ 3.47Å; L156-F214 HydrophobicContact CG-CD2 3.48Å; L156-F214 VanDerWaalsContact CG-CD2 3.48Å; L156-F214 HydrophobicContact CG-CE2 3.7Å; L156-F214 HydrophobicContact CG-CG 4.12Å; L156-F214 HydrophobicContact CG-CZ 4.47Å; Q210-F214 VanDerWaalsContact O-CB 3.31Å; Q210-F214 WeakPolarHBondContact O-CB 3.46Å; Q210-F214 PolarHBondContact O-N 3.46Å; Y212-F214 VanDerWaalsContact C-N 3.3Å; Y212-F214 PolarHBondContact O-N 2.87Å; F214-L217 PolarHBondContact O-N 2.82Å; F214-V218 HydrophobicContact CD1-CG2 4.27Å; F214-V218 HydrophobicContact CE1-CG2 4.05Å; F214-V218 WeakPolarHBondContact O-CG2 3.37Å; F214-V218 PolarHBondContact O-N 3.44Å
215T88.2Confident85.6Confident0 Ų040.2 Ų40.20%021%0.212CC..Hα-helixtrans-70.4-34.7-176.455.60000112.6M57 L75 I76 A211 Y212 V218 S219M57-T215 VanDerWaalsContact CE-OG1 3.23Å; M57-T215 WeakPolarHBondContact CE-OG1 3.32Å; L75-T215 HydrophobicContact CB-CG2 4.31Å; L75-T215 HydrophobicContact CD2-CG2 3.41Å; L75-T215 VanDerWaalsContact CD2-CG2 3.41Å; L75-T215 HydrophobicContact CG-CG2 4.1Å; I76-T215 VanDerWaalsContact CA-CG2 3.46Å; I76-T215 HydrophobicContact CB-CG2 3.46Å; I76-T215 VanDerWaalsContact CB-CG2 3.46Å; I76-T215 HydrophobicContact CG1-CG2 3.98Å; A211-T215 VanDerWaalsContact O-CG2 3.28Å; A211-T215 WeakPolarHBondContact O-CG2 3.39Å; A211-T215 PolarHBondContact O-N 3.37Å; A211-T215 PolarHBondContact O-OG1 2.77Å; Y212-T215 PolarHBondContact O-N 3.35Å; Y212-T215 PolarHBondContact O-OG1 3.47Å; T215-V218 PolarHBondContact O-N 3.34Å; T215-S219 VanDerWaalsContact O-CB 3.26Å; T215-S219 WeakPolarHBondContact O-CB 3.15Å; T215-S219 PolarHBondContact O-N 3.47Å
216L87Confident84.5Confident61 Ų6139.1 Ų39.132%0.31920%0.201SC..Hα-helixtrans-64.7-41.6174.9-175148.7000112Y212 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.65Å; Y212-L216 HydrophobicContact CE2-CD1 4.47Å; Y212-L216 VanDerWaalsContact O-CB 3.29Å; Y212-L216 WeakPolarHBondContact O-CB 3.43Å; Y212-L216 PolarHBondContact O-N 3.04Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.37Å; L216-S219 CarbonylContact O-C 3.6Å; L216-S219 WeakPolarHBondContact O-CB 3.47Å; L216-S219 PolarHBondContact O-N 2.85Å; L216-L220 WeakPolarHBondContact O-CB 3.45Å; L216-L220 PolarHBondContact O-N 2.82Å
217L85.6Confident84.1Confident36 Ų3639.2 Ų39.219%0.18820%0.199CC..Hα-helixtrans-65.6-42.4177.2-75.4168.3000111.4L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 3.89Å; L156-L217 HydrophobicContact CD1-CD1 3.35Å; L156-L217 HydrophobicContact CD1-CG 4.25Å; V213-L217 HydrophobicContact CG1-CD1 3.93Å; V213-L217 WeakPolarHBondContact O-CG 3.13Å; V213-L217 PolarHBondContact O-N 3.03Å; F214-L217 PolarHBondContact O-N 2.82Å; L217-S219 VanDerWaalsContact C-N 3.3Å; L217-S219 PolarHBondContact O-N 3.24Å; L217-L220 PolarHBondContact O-N 3.17Å; L217-Y221 HydrophobicContact CB-CE2 4.15Å; L217-Y221 WeakPolarHBondContact O-CD2 3.34Å; L217-Y221 WeakPolarHBondContact O-CE2 3.17Å; L217-Y221 PolarHBondContact O-N 3.21Å
218V84.4Confident83.9Confident8 Ų841 Ų415%0.04821%0.208CC..Hα-helixtrans-60.8-42173.3178.30000111.5L72 L108 L156 F214 T215 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.25Å; L72-V218 HydrophobicContact CD2-CG1 3.88Å; L108-V218 HydrophobicContact CB-CG1 4.37Å; L156-V218 HydrophobicContact CD2-CG2 4.43Å; F214-V218 HydrophobicContact CD1-CG2 4.27Å; F214-V218 HydrophobicContact CE1-CG2 4.05Å; F214-V218 WeakPolarHBondContact O-CG2 3.37Å; F214-V218 PolarHBondContact O-N 3.44Å; T215-V218 PolarHBondContact O-N 3.34Å; V218-Y221 PolarHBondContact O-N 3.22Å; V218-L222 PolarHBondContact O-N 3.31Å
219S85.6Confident83.6Confident8 Ų836.8 Ų36.86%0.05619%0.185CC..Hα-helixtrans-60-43.4174172.70000111.9H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact CE1-O 2.98Å; H61-S219 PolarHBondContact NE2-O 3.13Å; H61-S219 PolarHBondContact NE2-OG 3.07Å; T215-S219 VanDerWaalsContact O-CB 3.26Å; T215-S219 WeakPolarHBondContact O-CB 3.15Å; T215-S219 PolarHBondContact O-N 3.47Å; L216-S219 CarbonylContact O-C 3.6Å; L216-S219 WeakPolarHBondContact O-CB 3.47Å; L216-S219 PolarHBondContact O-N 2.85Å; L217-S219 VanDerWaalsContact C-N 3.3Å; L217-S219 PolarHBondContact O-N 3.24Å; S219-L222 WeakPolarHBondContact O-CB 3.28Å; S219-L222 PolarHBondContact O-N 3.37Å; S219-H223 PolarHBondContact O-N 3.31Å
220L83Confident83.2Confident77 Ų7733.4 Ų33.440%0.40317%0.167SC..Hα-helixtrans-65.7-42.4177.7-170.7148.3000111.7L216 L217 L222 H223 D224L216-L220 WeakPolarHBondContact O-CB 3.45Å; L216-L220 PolarHBondContact O-N 2.82Å; L217-L220 PolarHBondContact O-N 3.17Å; L220-L222 VanDerWaalsContact C-N 3.25Å; L220-L222 PolarHBondContact O-N 3.49Å; L220-H223 WeakPolarHBondContact O-CA 3.49Å; L220-H223 VanDerWaalsContact O-CB 3.3Å; L220-H223 WeakPolarHBondContact O-CB 3.45Å; L220-H223 PolarHBondContact O-N 3.2Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.44Å; L220-D224 PolarHBondContact O-N 3.36Å
221Y78.9Confident82.9Confident20 Ų2034.8 Ų34.88%0.07817%0.174CC..Hα-helixtrans-61-37.3174-62.8-50.9000112.6Q152 L217 V218 H223 N225Q152-Y221 HydrophobicContact CG-CE1 4.41Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.5Å; Q152-Y221 PolarHBondContact NE2-OH 2.76Å; Q152-Y221 PolarHBondContact OE1-OH 3.34Å; L217-Y221 HydrophobicContact CB-CE2 4.15Å; L217-Y221 WeakPolarHBondContact O-CD2 3.34Å; L217-Y221 WeakPolarHBondContact O-CE2 3.17Å; L217-Y221 PolarHBondContact O-N 3.21Å; V218-Y221 PolarHBondContact O-N 3.22Å; Y221-H223 VanDerWaalsContact C-N 3.28Å; Y221-N225 VanDerWaalsContact O-CB 3.3Å; Y221-N225 WeakPolarHBondContact O-CB 3.38Å; Y221-N225 PolarHBondContact O-N 3Å; Y221-N225 VanDerWaalsContact O-N 3.13Å; Y221-N225 PolarHBondContact O-ND2 3.39Å
222L80.8Confident82.5Confident2 Ų237 Ų371%0.0119%0.186CC..Hα-helixtrans-64.7-38174.9-165.782000110.9W68 A112 M115 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.58Å; W68-L222 HydrophobicContact CD2-CD1 3.48Å; W68-L222 VanDerWaalsContact CD2-CD1 3.48Å; W68-L222 HydrophobicContact CD2-CD2 4.22Å; W68-L222 HydrophobicContact CE3-CD1 3.55Å; W68-L222 HydrophobicContact CE3-CD2 4.49Å; W68-L222 HydrophobicContact CG-CD1 3.85Å; W68-L222 HydrophobicContact CG-CD2 3.77Å; W68-L222 HydrophobicContact CG-CG 4.48Å; W68-L222 HydrophobicContact CZ2-CD1 4.4Å; W68-L222 HydrophobicContact CZ3-CD1 4.08Å; A112-L222 HydrophobicContact CB-CD1 4.49Å; M115-L222 HydrophobicContact SD-CD1 4.29Å; V218-L222 PolarHBondContact O-N 3.31Å; S219-L222 WeakPolarHBondContact O-CB 3.28Å; S219-L222 PolarHBondContact O-N 3.37Å; L220-L222 VanDerWaalsContact C-N 3.25Å; L220-L222 PolarHBondContact O-N 3.49Å; L222-N225 PolarHBondContact O-N 3.15Å; L222-T226 HydrophobicContact CG-CG2 4.28Å; L222-T226 WeakPolarHBondContact O-CB 3.29Å; L222-T226 WeakPolarHBondContact O-CG2 3.36Å; L222-T226 PolarHBondContact O-N 3.44Å; L222-T226 VanDerWaalsContact O-N 3.13Å; L222-T226 PolarHBondContact O-OG1 2.73Å
223H80.4Confident82Confident78 Ų7832.3 Ų32.336%0.36117%0.17SC..Hα-helixtrans-63.7-49.9177.7-173.279.4000111.2T60 S219 L220 Y221 N225 T226T60-H223 PolarHBondContact O-CE1 3.29Å; T60-H223 PolarHBondContact O-ND1 3.49Å; S219-H223 PolarHBondContact O-N 3.31Å; L220-H223 WeakPolarHBondContact O-CA 3.49Å; L220-H223 VanDerWaalsContact O-CB 3.3Å; L220-H223 WeakPolarHBondContact O-CB 3.45Å; L220-H223 PolarHBondContact O-N 3.2Å; Y221-H223 VanDerWaalsContact C-N 3.28Å; H223-N225 PolarHBondContact O-N 2.98Å; H223-T226 PolarHBondContact O-N 3.37Å; H223-T226 PolarHBondContact O-OG1 3.25Å
224D76.4Confident81.4Confident68 Ų6831.5 Ų31.536%0.36416%0.163SC..Hα-helixtrans-62.6-30.1-179.5-63.5-15000112.3L220L220-D224 WeakPolarHBondContact CD2-OD2 3.44Å; L220-D224 PolarHBondContact O-N 3.36Å
225N73Confident80.9Confident29 Ų2934.2 Ų34.216%0.15518%0.177CC..THydrogen-bonded Turntrans-93.1-0.2-179.4-73.6-66.4000114.6G116 S119 Y221 L222 H223G116-N225 VanDerWaalsContact CA-O 3.24Å; G116-N225 WeakPolarHBondContact CA-O 3.08Å; S119-N225 PolarHBondContact OG-O 3.44Å; Y221-N225 VanDerWaalsContact O-CB 3.3Å; Y221-N225 WeakPolarHBondContact O-CB 3.38Å; Y221-N225 PolarHBondContact O-N 3Å; Y221-N225 VanDerWaalsContact O-N 3.13Å; Y221-N225 PolarHBondContact O-ND2 3.39Å; L222-N225 PolarHBondContact O-N 3.15Å; H223-N225 PolarHBondContact O-N 2.98Å
226T68Low80.3Confident23 Ų2337.3 Ų37.314%0.14119%0.193CC..  trans-110.50-178.751.40000114.9M115 K120 L222 H223M115-T226 HydrophobicContact CE-CG2 4.38Å; K120-T226 WeakPolarHBondContact CE-O 3.26Å; K120-T226 PolarHBondContact NZ-O 3.41Å; K120-T226 PolarHBondContact NZ-OXT 3.44Å; L222-T226 HydrophobicContact CG-CG2 4.28Å; L222-T226 WeakPolarHBondContact O-CB 3.29Å; L222-T226 WeakPolarHBondContact O-CG2 3.36Å; L222-T226 PolarHBondContact O-N 3.44Å; L222-T226 VanDerWaalsContact O-N 3.13Å; L222-T226 PolarHBondContact O-OG1 2.73Å; H223-T226 PolarHBondContact O-N 3.37Å; H223-T226 PolarHBondContact O-OG1 3.25Å

Retrieved 226 of 226 residues in 40.6 ms (Link to these results)