A0A060BKR4_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A060BKR4, Species HUMAN (Homo sapiens, Human), Gene ATP6, Length 226 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M54.8Low73Confident202 Ų20298.5 Ų98.5100%0.99553%0.532SS*.  0-35.80-73.5175.7110.400112.8E3 N4M1-E3 PolarHBondContact O-N 2.94Å; M1-N4 PolarHBondContact O-N 3.48Å
2N51.6Low73.8Confident144 Ų14493.6 Ų93.677%0.7751%0.508SS*.Hα-helixtrans-60.1-39.2-178.3-83.120.5000115.7
3E58.6Low74.8Confident158 Ų15893.9 Ų93.974%0.73852%0.516SS*.Hα-helixtrans-73.9-25.4-178-67.8-89.4138.700113.2M1 L5 F6 A7M1-E3 PolarHBondContact O-N 2.94Å; E3-L5 VanDerWaalsContact C-N 3.31Å; E3-L5 PolarHBondContact O-N 3.26Å; E3-F6 PolarHBondContact O-N 3.4Å; E3-A7 PolarHBondContact O-N 3.35Å
4N74.3Confident75.6Confident115 Ų11595 Ų9562%0.61552%0.519SS*.Hα-helixtrans-71.6-27.8-172-66.57.3000112.5M1M1-N4 PolarHBondContact O-N 3.48Å
5L75.1Confident76.2Confident45 Ų45100.2 Ų100.224%0.23654%0.544CS..Hα-helixtrans-69.7-35.9178.9-69.3175.9000112E3 H172 L173E3-L5 VanDerWaalsContact C-N 3.31Å; E3-L5 PolarHBondContact O-N 3.26Å; L5-H172 VanDerWaalsContact CD2-CE1 3.43Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.25Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.39Å; L5-L173 HydrophobicContact CD1-CD2 4.14Å; L5-L173 HydrophobicContact CD2-CD2 4.35Å
6F81.2Confident76.7Confident119 Ų11998.4 Ų98.452%0.52256%0.556SS.*Hα-helixtrans-93.1-9.5-177-66.5-75.5000113.7E3 S8 F9 L169E3-F6 PolarHBondContact O-N 3.4Å; F6-S8 PolarHBondContact O-N 3.38Å; F6-S8 VanDerWaalsContact O-N 3.14Å; F6-F9 HydrophobicContact CD1-CD2 4Å; F6-F9 HydrophobicContact CD1-CE2 4.36Å; F6-F9 PolarHBondContact O-N 2.97Å; F6-L169 HydrophobicContact CD1-CD2 4.45Å; F6-L169 HydrophobicContact CE1-CD1 4.12Å; F6-L169 HydrophobicContact CE1-CD2 4.1Å
7A79.3Confident77.1Confident54 Ų54100 Ų10045%0.44656%0.562SS.*G310 helixtrans-55.2-32.5179.800000113.3E3 F9 I10E3-A7 PolarHBondContact O-N 3.35Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 3.48Å; A7-I10 PolarHBondContact O-N 3.02Å
8S79Confident77.5Confident59 Ų5998.8 Ų98.841%0.41356%0.559SS.*G310 helixtrans-69.1-19.8176.856.80000114.2F6 F92F6-S8 PolarHBondContact O-N 3.38Å; F6-S8 VanDerWaalsContact O-N 3.14Å; S8-F92 WeakPolarHBondContact O-CD2 3.22Å
9F82Confident77.9Confident24 Ų2494.6 Ų94.611%0.10554%0.538CS..G310 helixtrans-94.1-9.3178.4-58.5-70.7000113F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 HydrophobicContact CD1-CD2 4Å; F6-F9 HydrophobicContact CD1-CE2 4.36Å; F6-F9 PolarHBondContact O-N 2.97Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 3.48Å; F9-A11 PolarHBondContact O-N 2.94Å; F9-T96 HydrophobicContact CD1-CG2 3.85Å; F9-T96 HydrophobicContact CE1-CG2 3.72Å; F9-Q97 PolarHBondContact O-NE2 2.96Å; F9-T165 HydrophobicContact CD1-CG2 4.44Å; F9-T165 HydrophobicContact CE1-CG2 4.12Å; F9-H168 HydrophobicContact CE1-CB 4.18Å; F9-H168 HydrophobicContact CZ-CB 3.89Å; F9-L169 HydrophobicContact CE2-CD1 4.44Å; F9-L169 HydrophobicContact CE2-CD2 3.71Å; F9-L169 HydrophobicContact CE2-CG 3.79Å; F9-L169 HydrophobicContact CZ-CD2 4.33Å; F9-L169 HydrophobicContact CZ-CG 3.94Å
10I84.2Confident78.3Confident111 Ų11190.9 Ų90.957%0.56952%0.519SS*.SBendtrans-70.1129.5178.1-59175.4000108.5A7 P12A7-I10 PolarHBondContact O-N 3.02Å; I10-P12 WeakPolarHBondContact O-CD 3.36Å
11A82.8Confident78.6Confident53 Ų5390.4 Ų90.444%0.43852%0.518SS..PPolyproline II helixtrans-58.7121.1-179.900000110.3F9 T13 F92F9-A11 PolarHBondContact O-N 2.94Å; A11-T13 PolarHBondContact O-N 3.13Å; A11-F92 HydrophobicContact CB-CZ 4.47Å
12P83.1Confident80.1Confident39 Ų3986.8 Ų86.825%0.25350%0.502SS..PPolyproline II helixtrans-70.9127.3-174.326.6-33.1000110.1I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.36Å; P12-A19 HydrophobicContact CB-CB 4.22Å; P12-A19 HydrophobicContact CG-CB 4.33Å; P12-A19 WeakPolarHBondContact O-CB 3.29Å; P12-A19 PolarHBondContact O-N 3.44Å; P12-I23 HydrophobicContact CG-CD1 3.66Å; P12-F92 HydrophobicContact CG-CB 4.4Å; P12-F92 HydrophobicContact CG-CD1 4.13Å; P12-F92 HydrophobicContact CG-CG 4.09Å
13T86.4Confident81.8Confident98 Ų9882 Ų8260%0.60148%0.476SS*.EExtended strand (participates in β ladder)trans-118127170.253.60000108.7A11 L17A11-T13 PolarHBondContact O-N 3.13Å; T13-L17 CarbonylContact C-O 3.58Å; T13-L17 VanDerWaalsContact CA-O 3.28Å; T13-L17 WeakPolarHBondContact CA-O 3.11Å
14I86.4Confident83.2Confident109 Ų10976.8 Ų76.856%0.55945%0.453SS*.EExtended strand (participates in β ladder)trans-113.9122.7176.3-63.5172.7000106.3G16 L17 A19I14-G16 PolarHBondContact O-N 2.99Å; I14-G16 VanDerWaalsContact O-N 3.13Å; I14-L17 PolarHBondContact N-O 2.87Å; I14-L17 PolarHBondContact O-N 3.48Å; I14-A19 HydrophobicContact CB-CB 4.47Å; I14-A19 HydrophobicContact CD1-CB 3.86Å; I14-A19 HydrophobicContact CG1-CB 3.93Å
15L84.4Confident83.8Confident173 Ų17376.8 Ų76.891%0.90645%0.452SS*.THydrogen-bonded Turntrans54.432179.3-72.3148000113.6L17L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 3.34Å
16G83.3Confident84.4Confident71 Ų7178.8 Ų78.873%0.73246%0.459SS*.THydrogen-bonded Turntrans79.1-1.4-177.400000115.2I14I14-G16 PolarHBondContact O-N 2.99Å; I14-G16 VanDerWaalsContact O-N 3.13Å
17L83.9Confident84.7Confident126 Ų12673.2 Ų73.266%0.6644%0.435SS*.EExtended strand (participates in β ladder)trans-94140.9173.2-66.4169.1000111T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.58Å; T13-L17 VanDerWaalsContact CA-O 3.28Å; T13-L17 WeakPolarHBondContact CA-O 3.11Å; I14-L17 PolarHBondContact N-O 2.87Å; I14-L17 PolarHBondContact O-N 3.48Å; L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 3.34Å; L17-A19 PolarHBondContact O-N 3.19Å
18P84.9Confident85Confident78 Ų7874 Ų7451%0.50644%0.435SS..EExtended strand (participates in β ladder)trans-71.7100.217829.2-33.5000110.5A20 V21P18-A20 PolarHBondContact O-N 3.42Å; P18-V21 HydrophobicContact CB-CG2 4.42Å; P18-V21 HydrophobicContact CG-CG2 4.18Å; P18-V21 PolarHBondContact O-N 2.83Å
19A85.3Confident85.4Confident20 Ų2077.8 Ų77.817%0.16545%0.45CS..THydrogen-bonded Turntrans-67.1-18176.700000112.3P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.22Å; P12-A19 HydrophobicContact CG-CB 4.33Å; P12-A19 WeakPolarHBondContact O-CB 3.29Å; P12-A19 PolarHBondContact O-N 3.44Å; I14-A19 HydrophobicContact CB-CB 4.47Å; I14-A19 HydrophobicContact CD1-CB 3.86Å; I14-A19 HydrophobicContact CG1-CB 3.93Å; L17-A19 PolarHBondContact O-N 3.19Å; A19-V21 PolarHBondContact O-N 2.86Å; A19-L22 PolarHBondContact O-N 3.11Å; A19-L22 VanDerWaalsContact O-N 3.1Å; A19-I23 PolarHBondContact O-N 3.01Å
20A85.1Confident85.6Confident19 Ų1980 Ų8016%0.15746%0.463CS..Hα-helixtrans-53.2-33.4173.300000113.3P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 3.42Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 3.38Å; A20-I23 PolarHBondContact O-N 3.43Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.3Å; A20-I24 PolarHBondContact O-N 2.96Å; A20-F92 HydrophobicContact CB-CE1 4.4Å
21V84.9Confident85.8Confident81 Ų8177.3 Ų77.349%0.49145%0.449SS..Hα-helixtrans-63.9-41.6179179.80000111.3P18 A19 I23 I24 L25P18-V21 HydrophobicContact CB-CG2 4.42Å; P18-V21 HydrophobicContact CG-CG2 4.18Å; P18-V21 PolarHBondContact O-N 2.83Å; A19-V21 PolarHBondContact O-N 2.86Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.14Å; V21-I24 PolarHBondContact O-N 3.16Å; V21-L25 HydrophobicContact CG1-CD1 4.12Å; V21-L25 WeakPolarHBondContact O-CG 3.44Å; V21-L25 PolarHBondContact O-N 2.97Å; V21-L25 VanDerWaalsContact O-N 3.08Å
22L85.9Confident86Confident127 Ų12777.6 Ų77.667%0.66545%0.446SS*.Hα-helixtrans-65.7-38.9178.7-166.6149.9000110.9A19 A20 L25 F26A19-L22 PolarHBondContact O-N 3.11Å; A19-L22 VanDerWaalsContact O-N 3.1Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 3.38Å; L22-L25 PolarHBondContact O-N 3.32Å; L22-F26 PolarHBondContact O-N 2.94Å; L22-F26 VanDerWaalsContact O-N 3.17Å
23I87Confident86.1Confident43 Ų4382.2 Ų82.222%0.22147%0.474CS..Hα-helixtrans-65.7-41.4177.1-58.7171.9000110.9P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.66Å; A19-I23 PolarHBondContact O-N 3.01Å; A20-I23 PolarHBondContact O-N 3.43Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.14Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.44Å; I23-F26 WeakPolarHBondContact O-CB 3.38Å; I23-F26 PolarHBondContact O-N 2.96Å; I23-P27 VanDerWaalsContact O-CD 3.26Å; I23-P27 WeakPolarHBondContact O-CD 3.21Å; I23-F92 HydrophobicContact CD1-CB 4.01Å; I23-F92 HydrophobicContact CD1-CD1 3.88Å; I23-F92 HydrophobicContact CD1-CG 4.33Å; I23-F92 HydrophobicContact CG2-CD1 4.48Å; I23-F92 WeakPolarHBondContact CG2-O 2.93Å
24I87.8Confident86.1Confident49 Ų4979.3 Ų79.325%0.25146%0.458SS..Hα-helixtrans-65.2-32.7176.8-68.5163.9000111.8A20 V21 P27 F78 P94 M100A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.3Å; A20-I24 PolarHBondContact O-N 2.96Å; V21-I24 PolarHBondContact O-N 3.16Å; I24-P27 WeakPolarHBondContact O-CD 3Å; I24-F78 HydrophobicContact CG2-CZ 4.35Å; I24-P94 HydrophobicContact CD1-CB 4.3Å; I24-P94 HydrophobicContact CG1-CB 3.71Å; I24-P94 HydrophobicContact CG1-CG 4.08Å; I24-M100 HydrophobicContact CD1-SD 4.37Å; I24-M100 HydrophobicContact CG2-CE 4.26Å
25L86.9Confident86.1Confident115 Ų11584.1 Ų84.160%0.60248%0.475SS*.Hα-helixtrans-81.8-11.1178.6-72171.5000114.1V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.12Å; V21-L25 WeakPolarHBondContact O-CG 3.44Å; V21-L25 PolarHBondContact O-N 2.97Å; V21-L25 VanDerWaalsContact O-N 3.08Å; L22-L25 PolarHBondContact O-N 3.32Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.44Å; L25-P28 WeakPolarHBondContact O-CD 3.11Å
26F88.4Confident86.2Confident87 Ų8784.8 Ų84.838%0.38247%0.467SS..Hα-helixtrans-69.2-44.5-177.8-169.4-96.1000114.9L22 I23 L29 L30 L85L22-F26 PolarHBondContact O-N 2.94Å; L22-F26 VanDerWaalsContact O-N 3.17Å; I23-F26 WeakPolarHBondContact O-CB 3.38Å; I23-F26 PolarHBondContact O-N 2.96Å; F26-L29 VanDerWaalsContact O-CB 3.3Å; F26-L29 WeakPolarHBondContact O-CB 3.18Å; F26-L29 PolarHBondContact O-N 3.12Å; F26-L30 HydrophobicContact CD1-CD1 4.21Å; F26-L30 HydrophobicContact CD1-CG 4.46Å; F26-L30 HydrophobicContact CE1-CD1 4Å; F26-L30 HydrophobicContact CE1-CD2 4.11Å; F26-L30 HydrophobicContact CE1-CG 4.16Å; F26-L30 HydrophobicContact CZ-CD2 4.43Å; F26-L85 HydrophobicContact CD1-CD1 4.2Å; F26-L85 HydrophobicContact CD1-CD2 3.47Å; F26-L85 VanDerWaalsContact CD1-CD2 3.47Å; F26-L85 HydrophobicContact CD1-CG 4.47Å; F26-L85 HydrophobicContact CE1-CD1 4.03Å; F26-L85 HydrophobicContact CE1-CD2 3.9Å; F26-L85 HydrophobicContact CG-CD2 4.5Å
27P88.1Confident86Confident2 Ų289.9 Ų89.91%0.01348%0.476CS..Hα-helixtrans-56.7-42.4-179.3-11.715.5000115.1I23 I24 L29 L30 T81 T82I23-P27 VanDerWaalsContact O-CD 3.26Å; I23-P27 WeakPolarHBondContact O-CD 3.21Å; I24-P27 WeakPolarHBondContact O-CD 3Å; P27-L29 PolarHBondContact O-N 3.17Å; P27-L30 WeakPolarHBondContact O-CB 3.32Å; P27-L30 PolarHBondContact O-N 3.33Å; P27-T81 WeakPolarHBondContact CB-OG1 3.49Å; P27-T82 HydrophobicContact CB-CG2 4.13Å; P27-T82 HydrophobicContact CG-CG2 3.38Å
28P84.8Confident86.1Confident70 Ų7090.1 Ų90.146%0.45548%0.483SS..Hα-helixtrans-55.3-33.5173.5-27.533.3000114.2L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.11Å; P28-L30 PolarHBondContact O-N 3.15Å; P28-I31 PolarHBondContact O-N 3.1Å
29L87.7Confident86.3Confident138 Ų13887.7 Ų87.772%0.72347%0.465SS*.Hα-helixtrans-67.9-24.5179.5-170.965.6000112.5F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.3Å; F26-L29 WeakPolarHBondContact O-CB 3.18Å; F26-L29 PolarHBondContact O-N 3.12Å; P27-L29 PolarHBondContact O-N 3.17Å; L29-I31 PolarHBondContact O-N 3.3Å
30L87.1Confident86.5Confident71 Ų7192.1 Ų92.137%0.37249%0.486SS..THydrogen-bonded Turntrans-75.6-6.2178.3-63.6171.5000113.5F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CD1-CD1 4.21Å; F26-L30 HydrophobicContact CD1-CG 4.46Å; F26-L30 HydrophobicContact CE1-CD1 4Å; F26-L30 HydrophobicContact CE1-CD2 4.11Å; F26-L30 HydrophobicContact CE1-CG 4.16Å; F26-L30 HydrophobicContact CZ-CD2 4.43Å; P27-L30 WeakPolarHBondContact O-CB 3.32Å; P27-L30 PolarHBondContact O-N 3.33Å; P28-L30 PolarHBondContact O-N 3.15Å; L30-P32 WeakPolarHBondContact O-CD 3.19Å; L30-Q46 PolarHBondContact O-NE2 3.43Å; L30-L85 HydrophobicContact CD1-CD1 3.42Å; L30-L85 VanDerWaalsContact CD1-CD1 3.42Å
31I87.3Confident86.7Confident55 Ų55101.3 Ų101.328%0.28252%0.517SS..SBendtrans-108.479179.6-51.4176.3000108.7P28 L29P28-I31 PolarHBondContact O-N 3.1Å; L29-I31 PolarHBondContact O-N 3.3Å
32P86.3Confident86.9Confident58 Ų58101.5 Ų101.538%0.37752%0.515SS..  trans-68.7136.517927.6-33.7000111.2L30 L42 I43L30-P32 WeakPolarHBondContact O-CD 3.19Å; P32-L42 HydrophobicContact CG-CD2 3.65Å; P32-I43 HydrophobicContact CB-CD1 4.43Å; P32-I43 HydrophobicContact CG-CD1 4.35Å; P32-I43 HydrophobicContact CG-CG1 3.97Å
33T86.5Confident87.2Confident137 Ų13796.3 Ų96.384%0.8449%0.487SS*.  trans-101.3131.3171.959.60000110
34S86.6Confident87.4Confident37 Ų3797.2 Ų97.226%0.25950%0.495SS..  trans-113.2148.7171.7540000111.5N39 I43S34-N39 WeakPolarHBondContact CB-OD1 3.4Å; S34-N39 PolarHBondContact OG-ND2 3.47Å; S34-N39 PolarHBondContact OG-OD1 3.02Å; S34-I43 WeakPolarHBondContact OG-CD1 3.44Å
35K85.2Confident87.5Confident210 Ų21099 Ų9991%0.91351%0.508SS*.  trans-88.1-10.8178-62.2-179.1-178.8178.10113.3
36Y86.6Confident87.7Confident187 Ų18795.7 Ų95.773%0.73349%0.49SS*.SBendtrans-83.7153.8-174.5-60.6-69.3000111.8N39Y36-N39 PolarHBondContact O-ND2 3.3Å; Y36-N39 PolarHBondContact O-OD1 3.07Å
37L78.8Confident87.8Confident177 Ų17796.2 Ų96.293%0.92749%0.493SS*.SBendtrans-72.5-39.8176.6-171.573.3000111.4
38V85.9Confident88Confident132 Ų132104 Ų10480%0.852%0.522SS*.SBendtrans-100.3117.1173.1-179.20000108
39N89.3Confident88.3Confident27 Ų27105.2 Ų105.214%0.14452%0.524CS..  trans-110168.3-172.2-69.7-29.4000112.6S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.4Å; S34-N39 PolarHBondContact OG-ND2 3.47Å; S34-N39 PolarHBondContact OG-OD1 3.02Å; Y36-N39 PolarHBondContact O-ND2 3.3Å; Y36-N39 PolarHBondContact O-OD1 3.07Å; N39-I43 HydrophobicContact CB-CB 3.97Å; N39-I43 HydrophobicContact CB-CG2 3.86Å; N39-T44 HydrophobicContact CB-CG2 4.02Å; N39-Q47 PolarHBondContact ND2-NE2 3.17Å; N39-Q47 PolarHBondContact ND2-OE1 3.33Å
40N89.9Confident88.4Confident113 Ų113101.4 Ų101.460%0.60450%0.504SS*.  trans-63.6152.9171.5-166.32.5000110.8L42 I43 T44N40-L42 PolarHBondContact O-N 3.46Å; N40-L42 VanDerWaalsContact O-N 3.14Å; N40-I43 HydrophobicContact CB-CD1 4.5Å; N40-I43 PolarHBondContact O-N 3.21Å; N40-T44 PolarHBondContact O-N 3.28Å
41R89.4Confident88.6Confident212 Ų212105.1 Ų105.180%0.852%0.517SS*.Hα-helixtrans-52.4-37.9-178.2-64.4-177-178.9-1770.3113T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.27Å; R41-T44 PolarHBondContact O-N 3.46Å; R41-T44 PolarHBondContact O-OG1 2.86Å; R41-T45 WeakPolarHBondContact O-CG2 3.35Å; R41-T45 PolarHBondContact O-N 2.93Å; R41-T45 VanDerWaalsContact O-N 3.09Å; R41-T45 PolarHBondContact O-OG1 2.97Å
42L89.6Confident88.7Confident85 Ų85105.7 Ų105.745%0.44552%0.521SS..Hα-helixtrans-65.8-41.8177.8-177.2153.6000111.8P32 N40 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.65Å; N40-L42 PolarHBondContact O-N 3.46Å; N40-L42 VanDerWaalsContact O-N 3.14Å; L42-T45 PolarHBondContact O-OG1 3.2Å; L42-Q46 VanDerWaalsContact CD2-CD 3.45Å; L42-Q46 HydrophobicContact CD2-CG 4.29Å; L42-Q46 WeakPolarHBondContact O-CB 3.27Å; L42-Q46 VanDerWaalsContact O-CG 3.26Å; L42-Q46 WeakPolarHBondContact O-CG 3.24Å; L42-Q46 PolarHBondContact O-N 3.11Å
43I91.3Very high88.8Confident17 Ų17104.1 Ų104.19%0.08751%0.51CS..Hα-helixtrans-71.5-37.2-179.9-61.4173.6000110P32 S34 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.43Å; P32-I43 HydrophobicContact CG-CD1 4.35Å; P32-I43 HydrophobicContact CG-CG1 3.97Å; S34-I43 WeakPolarHBondContact OG-CD1 3.44Å; N39-I43 HydrophobicContact CB-CB 3.97Å; N39-I43 HydrophobicContact CB-CG2 3.86Å; N40-I43 HydrophobicContact CB-CD1 4.5Å; N40-I43 PolarHBondContact O-N 3.21Å; I43-Q46 PolarHBondContact O-N 3.07Å; I43-Q47 HydrophobicContact CG2-CG 4.2Å; I43-Q47 WeakPolarHBondContact O-CB 3.22Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.28Å; I43-Q47 PolarHBondContact O-N 3.29Å
44T91.3Very high88.9Confident63 Ų6399.2 Ų99.239%0.38748%0.481SS..Hα-helixtrans-67-39.8177.859.50000112.1N39 N40 R41 W48N39-T44 HydrophobicContact CB-CG2 4.02Å; N40-T44 PolarHBondContact O-N 3.28Å; R41-T44 WeakPolarHBondContact CA-OG1 3.27Å; R41-T44 PolarHBondContact O-N 3.46Å; R41-T44 PolarHBondContact O-OG1 2.86Å; T44-W48 VanDerWaalsContact O-CB 3.29Å; T44-W48 WeakPolarHBondContact O-CB 3.46Å; T44-W48 PolarHBondContact O-N 3.12Å
45T91.1Very high89Confident85 Ų85104.6 Ų104.652%0.52150%0.5SS..Hα-helixtrans-67.6-40.4174.656.90000111.9R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.35Å; R41-T45 PolarHBondContact O-N 2.93Å; R41-T45 VanDerWaalsContact O-N 3.09Å; R41-T45 PolarHBondContact O-OG1 2.97Å; L42-T45 PolarHBondContact O-OG1 3.2Å; T45-W48 PolarHBondContact O-N 3.38Å; T45-L49 WeakPolarHBondContact O-CB 3.44Å; T45-L49 PolarHBondContact O-N 3.3Å
46Q90.4Very high89Confident47 Ų47100.5 Ų100.522%0.2248%0.484CS..Hα-helixtrans-61.5-48.5174.1-75.8178.1-14.900112L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 3.43Å; L42-Q46 VanDerWaalsContact CD2-CD 3.45Å; L42-Q46 HydrophobicContact CD2-CG 4.29Å; L42-Q46 WeakPolarHBondContact O-CB 3.27Å; L42-Q46 VanDerWaalsContact O-CG 3.26Å; L42-Q46 WeakPolarHBondContact O-CG 3.24Å; L42-Q46 PolarHBondContact O-N 3.11Å; I43-Q46 PolarHBondContact O-N 3.07Å; Q46-W48 VanDerWaalsContact C-N 3.3Å; Q46-W48 PolarHBondContact O-N 3.34Å; Q46-L49 PolarHBondContact O-N 3.4Å; Q46-I50 WeakPolarHBondContact O-CG1 3.45Å; Q46-I50 PolarHBondContact O-N 3.29Å
47Q90.2Very high88.9Confident97 Ų9792.1 Ų92.145%0.45345%0.452SS..Hα-helixtrans-61.4-39.5177.3-75174.9-11.900111.8N39 I43 K51N39-Q47 PolarHBondContact ND2-NE2 3.17Å; N39-Q47 PolarHBondContact ND2-OE1 3.33Å; I43-Q47 HydrophobicContact CG2-CG 4.2Å; I43-Q47 WeakPolarHBondContact O-CB 3.22Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.28Å; I43-Q47 PolarHBondContact O-N 3.29Å; Q47-K51 VanDerWaalsContact O-CB 3.29Å; Q47-K51 WeakPolarHBondContact O-CB 3.45Å; Q47-K51 PolarHBondContact O-N 3.42Å
48W92.1Very high89.1Confident166 Ų16684.5 Ų84.563%0.62941%0.412SS*.Hα-helixtrans-63.3-44.5175.4-179.283.2000111.9T44 T45 Q46 K51 L52T44-W48 VanDerWaalsContact O-CB 3.29Å; T44-W48 WeakPolarHBondContact O-CB 3.46Å; T44-W48 PolarHBondContact O-N 3.12Å; T45-W48 PolarHBondContact O-N 3.38Å; Q46-W48 VanDerWaalsContact C-N 3.3Å; Q46-W48 PolarHBondContact O-N 3.34Å; W48-K51 PolarHBondContact O-N 3.32Å; W48-L52 HydrophobicContact CD2-CD1 3.72Å; W48-L52 HydrophobicContact CD2-CG 4.39Å; W48-L52 VanDerWaalsContact CE2-CD1 3.48Å; W48-L52 HydrophobicContact CE3-CD1 3.75Å; W48-L52 HydrophobicContact CH2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CD1 3.36Å; W48-L52 HydrophobicContact CZ2-CG 4.43Å; W48-L52 HydrophobicContact CZ3-CD1 3.59Å; W48-L52 WeakPolarHBondContact O-CG 3.26Å; W48-L52 PolarHBondContact O-N 3.33Å
49L90.9Very high89Confident95 Ų9583.4 Ų83.450%0.49741%0.405SS..Hα-helixtrans-65.6-42.2178.6-163.8148.7000112.1T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.44Å; T45-L49 PolarHBondContact O-N 3.3Å; Q46-L49 PolarHBondContact O-N 3.4Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.04Å; L49-L52 PolarHBondContact O-N 2.97Å; L49-T53 HydrophobicContact CD2-CG2 4.13Å; L49-T53 WeakPolarHBondContact O-CG2 3.38Å; L49-T53 PolarHBondContact O-N 3.02Å; L49-T53 PolarHBondContact O-OG1 3.47Å
50I90.9Very high88.3Confident58 Ų5888.5 Ų88.530%0.29743%0.43SS..Hα-helixtrans-62.9-40.7174.3-69.6167000111.1Q46 T53 S54 V73 T77Q46-I50 WeakPolarHBondContact O-CG1 3.45Å; Q46-I50 PolarHBondContact O-N 3.29Å; I50-T53 WeakPolarHBondContact CA-OG1 3.43Å; I50-T53 PolarHBondContact O-OG1 3.1Å; I50-T53 VanDerWaalsContact O-OG1 3.05Å; I50-S54 VanDerWaalsContact O-CB 3.27Å; I50-S54 WeakPolarHBondContact O-CB 3.39Å; I50-S54 PolarHBondContact O-N 3.47Å; I50-S54 PolarHBondContact O-OG 2.95Å; I50-V73 HydrophobicContact CG2-CG1 3.72Å; I50-T77 HydrophobicContact CG1-CG2 4.2Å
51K90.8Very high87.8Confident149 Ų14983.8 Ų83.865%0.64840%0.404SS*.Hα-helixtrans-65.3-40.7177.5-175.4177.7-179.9178.90112.1Q47 W48 L49 S54 K55Q47-K51 VanDerWaalsContact O-CB 3.29Å; Q47-K51 WeakPolarHBondContact O-CB 3.45Å; Q47-K51 PolarHBondContact O-N 3.42Å; W48-K51 PolarHBondContact O-N 3.32Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.04Å; K51-S54 WeakPolarHBondContact CA-OG 3.26Å; K51-S54 PolarHBondContact O-OG 3.42Å; K51-S54 VanDerWaalsContact O-OG 3.04Å; K51-K55 VanDerWaalsContact O-CB 3.25Å; K51-K55 WeakPolarHBondContact O-CB 3.49Å; K51-K55 PolarHBondContact O-N 3.08Å
52L90.8Very high87.1Confident68 Ų6876.2 Ų76.236%0.35638%0.384SS..Hα-helixtrans-66-50.5177.3-75.6176.7000112.2W48 L49 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.72Å; W48-L52 HydrophobicContact CD2-CG 4.39Å; W48-L52 VanDerWaalsContact CE2-CD1 3.48Å; W48-L52 HydrophobicContact CE3-CD1 3.75Å; W48-L52 HydrophobicContact CH2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CD1 3.36Å; W48-L52 HydrophobicContact CZ2-CG 4.43Å; W48-L52 HydrophobicContact CZ3-CD1 3.59Å; W48-L52 WeakPolarHBondContact O-CG 3.26Å; W48-L52 PolarHBondContact O-N 3.33Å; L49-L52 PolarHBondContact O-N 2.97Å; L52-K55 PolarHBondContact O-N 3.1Å; L52-Q56 WeakPolarHBondContact O-CG 3.42Å; L52-Q56 PolarHBondContact O-N 2.65Å
53T87.8Confident86.5Confident24 Ų2478 Ų7815%0.14740%0.398CS..Hα-helixtrans-61.8-45.8-179.248.70000111.5L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 4.13Å; L49-T53 WeakPolarHBondContact O-CG2 3.38Å; L49-T53 PolarHBondContact O-N 3.02Å; L49-T53 PolarHBondContact O-OG1 3.47Å; I50-T53 WeakPolarHBondContact CA-OG1 3.43Å; I50-T53 PolarHBondContact O-OG1 3.1Å; I50-T53 VanDerWaalsContact O-OG1 3.05Å; T53-K55 PolarHBondContact O-N 3.3Å; T53-Q56 PolarHBondContact O-N 3.19Å; T53-M57 WeakPolarHBondContact O-CG 3.28Å; T53-M57 PolarHBondContact O-N 3.23Å
54S87.9Confident85.8Confident34 Ų3483 Ų8324%0.23842%0.419CS..Hα-helixtrans-62-41.9175.458.40000112.4I50 K51 Q56 M57 M58I50-S54 VanDerWaalsContact O-CB 3.27Å; I50-S54 WeakPolarHBondContact O-CB 3.39Å; I50-S54 PolarHBondContact O-N 3.47Å; I50-S54 PolarHBondContact O-OG 2.95Å; K51-S54 WeakPolarHBondContact CA-OG 3.26Å; K51-S54 PolarHBondContact O-OG 3.42Å; K51-S54 VanDerWaalsContact O-OG 3.04Å; S54-Q56 PolarHBondContact O-N 3.17Å; S54-M57 PolarHBondContact O-N 2.95Å; S54-M58 WeakPolarHBondContact O-CB 3.4Å; S54-M58 WeakPolarHBondContact O-CG 3.5Å; S54-M58 PolarHBondContact O-N 3.33Å
55K88.4Confident85.1Confident151 Ų15180 Ų8066%0.65740%0.401SS*.Hα-helixtrans-61.5-45.8176.6-173.4-180179.2-174.50111.4K51 L52 T53 T59K51-K55 VanDerWaalsContact O-CB 3.25Å; K51-K55 WeakPolarHBondContact O-CB 3.49Å; K51-K55 PolarHBondContact O-N 3.08Å; L52-K55 PolarHBondContact O-N 3.1Å; T53-K55 PolarHBondContact O-N 3.3Å; K55-T59 VanDerWaalsContact O-CG2 3.27Å; K55-T59 WeakPolarHBondContact O-CG2 3.44Å; K55-T59 PolarHBondContact O-N 3.47Å
56Q86.3Confident84.7Confident123 Ų12382.6 Ų82.658%0.57540%0.401SS*.Hα-helixtrans-68.4-37.7-179.1-74.1-179.7-27.200113.2L52 T53 S54 T59L52-Q56 WeakPolarHBondContact O-CG 3.42Å; L52-Q56 PolarHBondContact O-N 2.65Å; T53-Q56 PolarHBondContact O-N 3.19Å; S54-Q56 PolarHBondContact O-N 3.17Å; Q56-T59 PolarHBondContact O-OG1 3.18Å
57M83.3Confident84.4Confident12 Ų1285.1 Ų85.16%0.05942%0.42CS..Hα-helixtrans-73.8-37.4177.8-71-169.2167.900112.3T53 S54 T59 L72 I76 Y212 T215T53-M57 WeakPolarHBondContact O-CG 3.28Å; T53-M57 PolarHBondContact O-N 3.23Å; S54-M57 PolarHBondContact O-N 2.95Å; M57-T59 VanDerWaalsContact C-N 3.35Å; M57-T59 PolarHBondContact O-N 3.18Å; M57-L72 HydrophobicContact SD-CB 4.44Å; M57-I76 HydrophobicContact CE-CD1 3.81Å; M57-Y212 HydrophobicContact CE-CD2 4.34Å; M57-Y212 HydrophobicContact CE-CE2 4.43Å; M57-T215 WeakPolarHBondContact CE-OG1 3.46Å
58M83.1Confident84.1Confident17 Ų1783 Ų838%0.08441%0.408CS..Hα-helixtrans-79.9-12.8-174.3-67-58.1115.600114.5S54 M60 H61 R66 S69 L72S54-M58 WeakPolarHBondContact O-CB 3.4Å; S54-M58 WeakPolarHBondContact O-CG 3.5Å; S54-M58 PolarHBondContact O-N 3.33Å; M58-M60 PolarHBondContact O-N 3.36Å; M58-H61 PolarHBondContact O-N 2.93Å; M58-R66 HydrophobicContact CG-CG 4.45Å; M58-R66 HydrophobicContact SD-CB 4.35Å; M58-R66 HydrophobicContact SD-CG 3.92Å; M58-S69 WeakPolarHBondContact SD-CB 3.2Å; M58-L72 HydrophobicContact CE-CD1 3.83Å
59T83.4Confident83.9Confident108 Ų10876.9 Ų76.966%0.66339%0.39SS*.THydrogen-bonded Turntrans-64-28.2173.147.10000112.1K55 Q56 M57K55-T59 VanDerWaalsContact O-CG2 3.27Å; K55-T59 WeakPolarHBondContact O-CG2 3.44Å; K55-T59 PolarHBondContact O-N 3.47Å; Q56-T59 PolarHBondContact O-OG1 3.18Å; M57-T59 VanDerWaalsContact C-N 3.35Å; M57-T59 PolarHBondContact O-N 3.18Å
60M75.1Confident83.8Confident135 Ų13579.2 Ų79.267%0.66540%0.403SS*.THydrogen-bonded Turntrans-85.1-9.3-178.3-53.2-136.481.500113.3M58 H223M58-M60 PolarHBondContact O-N 3.36Å; M60-H223 PolarHBondContact O-CE1 3.22Å; M60-H223 PolarHBondContact O-ND1 3.42Å
61H79.3Confident83.8Confident13 Ų1379 Ų796%0.0640%0.401CS..  trans-109.6143.5-169.5-79.341000113.9M58 S219M58-H61 PolarHBondContact O-N 2.93Å; H61-S219 PolarHBondContact CE1-O 3.37Å; H61-S219 PolarHBondContact NE2-O 3.47Å; H61-S219 VanDerWaalsContact NE2-O 3.07Å
62S76.3Confident83.7Confident53 Ų5371.9 Ų71.937%0.37137%0.37SS..  trans-71.9173.2169.672.30000111.8K64 G65 R66S62-K64 VanDerWaalsContact C-N 3.28Å; S62-K64 PolarHBondContact O-N 2.92Å; S62-G65 PolarHBondContact O-N 3.5Å; S62-G65 VanDerWaalsContact O-N 3.15Å; S62-R66 PolarHBondContact O-N 3.07Å; S62-R66 VanDerWaalsContact O-N 3.07Å
63T76.9Confident83.7Confident122 Ų12269.6 Ų69.675%0.74836%0.359SS*.THydrogen-bonded Turntrans-57.6-36.2-176.551.70000113.6
64K76.6Confident83.9Confident123 Ų12371.5 Ų71.554%0.53537%0.373SS..THydrogen-bonded Turntrans-69.5-44.6175.7-71.2-177.2-177.3175.70111.9S62 R66 T67S62-K64 VanDerWaalsContact C-N 3.28Å; S62-K64 PolarHBondContact O-N 2.92Å; K64-R66 PolarHBondContact O-N 3.37Å; K64-T67 WeakPolarHBondContact O-CB 3.47Å; K64-T67 PolarHBondContact O-N 3.37Å; K64-T67 PolarHBondContact O-OG1 2.86Å
65G75.9Confident84Confident0 Ų070.6 Ų70.60%037%0.366CS..G310 helixtrans-62.8-28.5177.300000113.4S62 T67 W68S62-G65 PolarHBondContact O-N 3.5Å; S62-G65 VanDerWaalsContact O-N 3.15Å; G65-T67 PolarHBondContact O-N 3.09Å; G65-W68 PolarHBondContact O-N 3.35Å; G65-W68 VanDerWaalsContact O-N 3.1Å
66R81.6Confident84.1Confident140 Ų14064.2 Ų64.253%0.52834%0.338SS..G310 helixtrans-64.1-20.6177.2-161.4175-66.8-173.40.5113.8M58 S62 K64 W68 S69M58-R66 HydrophobicContact CG-CG 4.45Å; M58-R66 HydrophobicContact SD-CB 4.35Å; M58-R66 HydrophobicContact SD-CG 3.92Å; S62-R66 PolarHBondContact O-N 3.07Å; S62-R66 VanDerWaalsContact O-N 3.07Å; K64-R66 PolarHBondContact O-N 3.37Å; R66-W68 PolarHBondContact O-N 3.32Å; R66-S69 WeakPolarHBondContact O-CB 3.26Å; R66-S69 PolarHBondContact O-N 2.98Å; R66-S69 VanDerWaalsContact O-N 3.1Å; R66-S69 PolarHBondContact O-OG 3.47Å
67T84.4Confident84.3Confident100 Ų10059.7 Ų59.761%0.61332%0.319SS*.G310 helixtrans-63.4-26.4174.461.20000112.6K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.47Å; K64-T67 PolarHBondContact O-N 3.37Å; K64-T67 PolarHBondContact O-OG1 2.86Å; G65-T67 PolarHBondContact O-N 3.09Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 3.29Å
68W85.3Confident84.6Confident52 Ų5261.4 Ų61.420%0.19733%0.326CS..G310 helixtrans-85.82.6177.1-73.657.9000113.5G65 R66 L70 M71 L72 M115 L222G65-W68 PolarHBondContact O-N 3.35Å; G65-W68 VanDerWaalsContact O-N 3.1Å; R66-W68 PolarHBondContact O-N 3.32Å; W68-L70 VanDerWaalsContact C-N 3.32Å; W68-L70 PolarHBondContact O-N 3.43Å; W68-M71 HydrophobicContact CD2-CE 4.24Å; W68-M71 HydrophobicContact CE3-CE 3.12Å; W68-M71 HydrophobicContact CE3-SD 3.67Å; W68-M71 HydrophobicContact CH2-SD 4.45Å; W68-M71 HydrophobicContact CZ3-CE 3.35Å; W68-M71 HydrophobicContact CZ3-SD 3.61Å; W68-M71 WeakPolarHBondContact O-CB 3.3Å; W68-M71 PolarHBondContact O-N 3.15Å; W68-M71 VanDerWaalsContact O-N 3.12Å; W68-L72 PolarHBondContact O-N 3.25Å; W68-M115 HydrophobicContact CZ2-SD 3.92Å; W68-M115 PolarHBondContact NE1-SD 2.87Å; W68-L222 HydrophobicContact CB-CD2 3.42Å; W68-L222 VanDerWaalsContact CB-CD2 3.42Å; W68-L222 HydrophobicContact CD2-CD1 3.73Å; W68-L222 HydrophobicContact CD2-CD2 3.97Å; W68-L222 HydrophobicContact CE3-CD1 3.92Å; W68-L222 HydrophobicContact CE3-CD2 4.3Å; W68-L222 HydrophobicContact CG-CD1 4.05Å; W68-L222 HydrophobicContact CG-CD2 3.53Å; W68-L222 HydrophobicContact CG-CG 4.47Å; W68-L222 HydrophobicContact CZ2-CD1 4.49Å; W68-L222 HydrophobicContact CZ3-CD1 4.44Å
69S86.4Confident85Confident37 Ų3760.7 Ų60.726%0.25932%0.323SS..Hα-helixtrans-56.2-44.4-177.460.20000113M58 R66 T67 M71 L72 V73M58-S69 WeakPolarHBondContact SD-CB 3.2Å; R66-S69 WeakPolarHBondContact O-CB 3.26Å; R66-S69 PolarHBondContact O-N 2.98Å; R66-S69 VanDerWaalsContact O-N 3.1Å; R66-S69 PolarHBondContact O-OG 3.47Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 3.29Å; S69-M71 VanDerWaalsContact C-N 3.3Å; S69-M71 PolarHBondContact O-N 3.29Å; S69-L72 PolarHBondContact O-N 3.18Å; S69-V73 WeakPolarHBondContact O-CB 3.22Å; S69-V73 VanDerWaalsContact O-CG2 3.23Å; S69-V73 WeakPolarHBondContact O-CG2 3.44Å; S69-V73 PolarHBondContact O-N 3.41Å
70L89.8Confident85.3Confident144 Ų14457 Ų5775%0.75430%0.304SS*.Hα-helixtrans-58.7-45178.5-169.699.6000111W68 V73 S74W68-L70 VanDerWaalsContact C-N 3.32Å; W68-L70 PolarHBondContact O-N 3.43Å; L70-V73 PolarHBondContact O-N 3.11Å; L70-S74 WeakPolarHBondContact O-CB 3.17Å; L70-S74 PolarHBondContact O-N 3.34Å; L70-S74 PolarHBondContact O-OG 3.09Å
71M90.3Very high86Confident53 Ų5352.3 Ų52.326%0.26128%0.283SS..Hα-helixtrans-65.2-47.7-178.5-166.9-163.374.900111W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 4.24Å; W68-M71 HydrophobicContact CE3-CE 3.12Å; W68-M71 HydrophobicContact CE3-SD 3.67Å; W68-M71 HydrophobicContact CH2-SD 4.45Å; W68-M71 HydrophobicContact CZ3-CE 3.35Å; W68-M71 HydrophobicContact CZ3-SD 3.61Å; W68-M71 WeakPolarHBondContact O-CB 3.3Å; W68-M71 PolarHBondContact O-N 3.15Å; W68-M71 VanDerWaalsContact O-N 3.12Å; S69-M71 VanDerWaalsContact C-N 3.3Å; S69-M71 PolarHBondContact O-N 3.29Å; M71-V73 VanDerWaalsContact C-N 3.35Å; M71-V73 PolarHBondContact O-N 2.98Å; M71-S74 PolarHBondContact O-N 3.08Å; M71-S74 PolarHBondContact O-OG 3.11Å; M71-L75 VanDerWaalsContact O-CB 3.3Å; M71-L75 WeakPolarHBondContact O-CB 3.45Å; M71-L75 PolarHBondContact O-N 3.21Å; M71-L108 HydrophobicContact CE-CD2 3.21Å; M71-L108 HydrophobicContact CG-CD2 4.26Å; M71-L108 HydrophobicContact SD-CD2 3.44Å; M71-L108 WeakPolarHBondContact SD-CD2 3.4Å
72L89.3Confident86.6Confident1 Ų151.9 Ų51.91%0.00528%0.281CS..Hα-helixtrans-61.5-41.1178.3-70.1169.7000112.5M57 M58 W68 S69 L75 I76 V218M57-L72 HydrophobicContact SD-CB 4.44Å; M58-L72 HydrophobicContact CE-CD1 3.83Å; W68-L72 PolarHBondContact O-N 3.25Å; S69-L72 PolarHBondContact O-N 3.18Å; L72-L75 PolarHBondContact O-N 2.74Å; L72-I76 PolarHBondContact O-N 3.01Å; L72-V218 HydrophobicContact CD2-CB 4.24Å; L72-V218 HydrophobicContact CD2-CG1 3.88Å
73V90.8Very high87.2Confident20 Ų2049.5 Ų49.512%0.12126%0.264CS..Hα-helixtrans-68-41.7177.41720000111.3I50 S69 L70 M71 L75 I76 T77I50-V73 HydrophobicContact CG2-CG1 3.72Å; S69-V73 WeakPolarHBondContact O-CB 3.22Å; S69-V73 VanDerWaalsContact O-CG2 3.23Å; S69-V73 WeakPolarHBondContact O-CG2 3.44Å; S69-V73 PolarHBondContact O-N 3.41Å; L70-V73 PolarHBondContact O-N 3.11Å; M71-V73 VanDerWaalsContact C-N 3.35Å; M71-V73 PolarHBondContact O-N 2.98Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 3.13Å; V73-I76 VanDerWaalsContact O-CG2 3.31Å; V73-I76 WeakPolarHBondContact O-CG2 3.32Å; V73-T77 WeakPolarHBondContact O-CB 3.39Å; V73-T77 WeakPolarHBondContact O-CG2 3.4Å; V73-T77 PolarHBondContact O-N 3.17Å; V73-T77 VanDerWaalsContact O-N 3.16Å; V73-T77 PolarHBondContact O-OG1 3.4Å
74S90.9Very high87.8Confident63 Ų6348.5 Ų48.544%0.44125%0.253SS..Hα-helixtrans-63.8-36.6175.370.70000112.1L70 M71 T77 F78L70-S74 WeakPolarHBondContact O-CB 3.17Å; L70-S74 PolarHBondContact O-N 3.34Å; L70-S74 PolarHBondContact O-OG 3.09Å; M71-S74 PolarHBondContact O-N 3.08Å; M71-S74 PolarHBondContact O-OG 3.11Å; S74-T77 WeakPolarHBondContact CA-OG1 3.31Å; S74-T77 PolarHBondContact O-OG1 3.48Å; S74-F78 VanDerWaalsContact O-CB 3.22Å; S74-F78 WeakPolarHBondContact O-CB 3.44Å; S74-F78 PolarHBondContact O-N 2.78Å
75L90Very high88.4Confident16 Ų1644.6 Ų44.68%0.08424%0.238CC..Hα-helixtrans-68.3-48.9180-176.173.2000111.8M71 L72 V73 T77 F78 I79 L108 F214 T215M71-L75 VanDerWaalsContact O-CB 3.3Å; M71-L75 WeakPolarHBondContact O-CB 3.45Å; M71-L75 PolarHBondContact O-N 3.21Å; L72-L75 PolarHBondContact O-N 2.74Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 3.13Å; L75-T77 VanDerWaalsContact C-N 3.32Å; L75-T77 PolarHBondContact O-N 3.11Å; L75-F78 PolarHBondContact O-N 2.81Å; L75-I79 HydrophobicContact CD1-CD1 3.88Å; L75-I79 HydrophobicContact CD1-CG1 4.48Å; L75-I79 HydrophobicContact CG-CD1 3.85Å; L75-I79 VanDerWaalsContact O-CG1 3.31Å; L75-I79 WeakPolarHBondContact O-CG1 3.35Å; L75-I79 PolarHBondContact O-N 3.22Å; L75-L108 HydrophobicContact CD1-CD1 3.57Å; L75-L108 HydrophobicContact CD2-CD1 3.7Å; L75-L108 HydrophobicContact CG-CD1 4.27Å; L75-F214 HydrophobicContact CD1-CE1 4.06Å; L75-F214 HydrophobicContact CD2-CD1 3.92Å; L75-F214 HydrophobicContact CD2-CE1 3.78Å; L75-F214 HydrophobicContact CG-CD1 4.29Å; L75-F214 HydrophobicContact CG-CE1 4.17Å; L75-T215 HydrophobicContact CB-CG2 4.07Å; L75-T215 HydrophobicContact CD2-CG2 3.57Å; L75-T215 HydrophobicContact CG-CG2 3.73Å
76I90.8Very high88.8Confident16 Ų1644.7 Ų44.78%0.08224%0.239CC..Hα-helixtrans-63.9-40.8179.6-169.1170000110.9M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CD1 3.81Å; L72-I76 PolarHBondContact O-N 3.01Å; V73-I76 VanDerWaalsContact O-CG2 3.31Å; V73-I76 WeakPolarHBondContact O-CG2 3.32Å; I76-A80 WeakPolarHBondContact O-CB 3.45Å; I76-A80 PolarHBondContact O-N 3.21Å; I76-A211 HydrophobicContact CG1-CB 4.49Å; I76-Y212 HydrophobicContact CD1-CD2 4.2Å; I76-T215 HydrophobicContact CB-CG2 3.54Å; I76-T215 HydrophobicContact CG1-CG2 4.22Å
77T90.7Very high89.1Confident28 Ų2839.9 Ų39.917%0.17222%0.224CC..Hα-helixtrans-66.9-40.6178.2510000111.7I50 V73 S74 L75 T81I50-T77 HydrophobicContact CG1-CG2 4.2Å; V73-T77 WeakPolarHBondContact O-CB 3.39Å; V73-T77 WeakPolarHBondContact O-CG2 3.4Å; V73-T77 PolarHBondContact O-N 3.17Å; V73-T77 VanDerWaalsContact O-N 3.16Å; V73-T77 PolarHBondContact O-OG1 3.4Å; S74-T77 WeakPolarHBondContact CA-OG1 3.31Å; S74-T77 PolarHBondContact O-OG1 3.48Å; L75-T77 VanDerWaalsContact C-N 3.32Å; L75-T77 PolarHBondContact O-N 3.11Å; T77-T81 WeakPolarHBondContact O-CB 3.41Å; T77-T81 VanDerWaalsContact O-CG2 3.24Å; T77-T81 WeakPolarHBondContact O-CG2 3.38Å; T77-T81 PolarHBondContact O-N 3.12Å; T77-T81 PolarHBondContact O-OG1 3.43Å
78F90.6Very high89.2Confident48 Ų4839.7 Ų39.721%0.21122%0.219CC..Hα-helixtrans-64.5-48.9176.1179.9-104.3000112.8I24 S74 L75 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.35Å; S74-F78 VanDerWaalsContact O-CB 3.22Å; S74-F78 WeakPolarHBondContact O-CB 3.44Å; S74-F78 PolarHBondContact O-N 2.78Å; L75-F78 PolarHBondContact O-N 2.81Å; F78-T81 PolarHBondContact O-N 3.26Å; F78-T81 PolarHBondContact O-OG1 2.96Å; F78-T81 VanDerWaalsContact O-OG1 3.08Å; F78-T82 HydrophobicContact CD2-CG2 4.26Å; F78-T82 HydrophobicContact CE1-CG2 4.19Å; F78-T82 HydrophobicContact CE2-CG2 3.87Å; F78-T82 HydrophobicContact CZ-CG2 3.83Å; F78-T82 WeakPolarHBondContact O-CB 3.35Å; F78-T82 WeakPolarHBondContact O-CG2 3.42Å; F78-T82 PolarHBondContact O-N 2.84Å; F78-T82 PolarHBondContact O-OG1 2.91Å; F78-M100 HydrophobicContact CE1-CE 4.03Å; F78-M100 HydrophobicContact CZ-CE 3.99Å; F78-M104 HydrophobicContact CD1-SD 3.94Å; F78-M104 HydrophobicContact CE1-CE 4.02Å; F78-M104 HydrophobicContact CE1-SD 3.65Å
79I90.5Very high89Confident2 Ų242.5 Ų42.51%0.0124%0.244CC..Hα-helixtrans-67.9-41.7-178.7-61.3169.3000110.6L75 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 3.88Å; L75-I79 HydrophobicContact CD1-CG1 4.48Å; L75-I79 HydrophobicContact CG-CD1 3.85Å; L75-I79 VanDerWaalsContact O-CG1 3.31Å; L75-I79 WeakPolarHBondContact O-CG1 3.35Å; L75-I79 PolarHBondContact O-N 3.22Å; I79-T82 WeakPolarHBondContact CA-OG1 3.41Å; I79-T82 PolarHBondContact O-OG1 3.46Å; I79-N83 VanDerWaalsContact O-CB 3.31Å; I79-N83 WeakPolarHBondContact O-CB 3.46Å; I79-N83 PolarHBondContact O-N 3.31Å; I79-N83 PolarHBondContact O-ND2 3.28Å; I79-L160 HydrophobicContact CG2-CD1 3.64Å; I79-A211 HydrophobicContact CB-CB 4.05Å; I79-A211 HydrophobicContact CG2-CB 3.72Å; I79-F214 HydrophobicContact CD1-CB 4.29Å; I79-F214 HydrophobicContact CD1-CD1 3.34Å; I79-F214 HydrophobicContact CD1-CD2 4.39Å; I79-F214 HydrophobicContact CD1-CE1 3.68Å; I79-F214 HydrophobicContact CD1-CG 3.77Å; I79-F214 HydrophobicContact CD1-CZ 4.34Å
80A90.1Very high88.7Confident32 Ų3250.5 Ų50.526%0.26428%0.276SS..Hα-helixtrans-63.9-43.6178.500000111.9I76 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.45Å; I76-A80 PolarHBondContact O-N 3.21Å; A80-L84 VanDerWaalsContact O-CB 3.28Å; A80-L84 WeakPolarHBondContact O-CB 3.49Å; A80-L84 PolarHBondContact O-N 3.29Å; A80-A211 HydrophobicContact CB-CB 3.95Å
81T90.6Very high88.3Confident36 Ų3645.1 Ų45.122%0.22125%0.251CS..Hα-helixtrans-69.4-43.7179.851.40000112.1P27 T77 F78 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.49Å; T77-T81 WeakPolarHBondContact O-CB 3.41Å; T77-T81 VanDerWaalsContact O-CG2 3.24Å; T77-T81 WeakPolarHBondContact O-CG2 3.38Å; T77-T81 PolarHBondContact O-N 3.12Å; T77-T81 PolarHBondContact O-OG1 3.43Å; F78-T81 PolarHBondContact O-N 3.26Å; F78-T81 PolarHBondContact O-OG1 2.96Å; F78-T81 VanDerWaalsContact O-OG1 3.08Å; T81-L84 PolarHBondContact O-N 2.93Å; T81-L85 WeakPolarHBondContact O-CB 3.49Å; T81-L85 PolarHBondContact O-N 3.12Å
82T90.2Very high87.9Confident3 Ų343.9 Ų43.92%0.01824%0.244CC..Hα-helixtrans-61.7-43.7176.547.40000112.6P27 F78 I79 G86P27-T82 HydrophobicContact CB-CG2 4.13Å; P27-T82 HydrophobicContact CG-CG2 3.38Å; F78-T82 HydrophobicContact CD2-CG2 4.26Å; F78-T82 HydrophobicContact CE1-CG2 4.19Å; F78-T82 HydrophobicContact CE2-CG2 3.87Å; F78-T82 HydrophobicContact CZ-CG2 3.83Å; F78-T82 WeakPolarHBondContact O-CB 3.35Å; F78-T82 WeakPolarHBondContact O-CG2 3.42Å; F78-T82 PolarHBondContact O-N 2.84Å; F78-T82 PolarHBondContact O-OG1 2.91Å; I79-T82 WeakPolarHBondContact CA-OG1 3.41Å; I79-T82 PolarHBondContact O-OG1 3.46Å; T82-G86 PolarHBondContact O-N 3.26Å
83N90.4Very high87.6Confident3 Ų344 Ų442%0.01625%0.245CC..Hα-helixtrans-68.2-42.4178.9-68.2-10.9000112I79 G86 L87 T95 I164 A207I79-N83 VanDerWaalsContact O-CB 3.31Å; I79-N83 WeakPolarHBondContact O-CB 3.46Å; I79-N83 PolarHBondContact O-N 3.31Å; I79-N83 PolarHBondContact O-ND2 3.28Å; N83-G86 WeakPolarHBondContact O-CA 3.36Å; N83-G86 PolarHBondContact O-N 3.29Å; N83-L87 PolarHBondContact O-N 2.74Å; N83-T95 WeakPolarHBondContact OD1-CB 3.47Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.38Å; N83-T95 PolarHBondContact OD1-OG1 3.18Å; N83-I164 HydrophobicContact CB-CD1 4.32Å; N83-I164 VanDerWaalsContact CG-CD1 3.44Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.42Å; N83-A207 HydrophobicContact CB-CB 3.96Å
84L89.1Confident87.1Confident101 Ų10143.5 Ų43.553%0.52924%0.242SC..Hα-helixtrans-65.5-43.3178.3-166.687.8000111.5A80 T81 G86 L87 I204A80-L84 VanDerWaalsContact O-CB 3.28Å; A80-L84 WeakPolarHBondContact O-CB 3.49Å; A80-L84 PolarHBondContact O-N 3.29Å; T81-L84 PolarHBondContact O-N 2.93Å; L84-G86 PolarHBondContact O-N 3.28Å; L84-L87 PolarHBondContact O-N 3.3Å; L84-I204 HydrophobicContact CD1-CG2 4.28Å
85L89.1Confident86.8Confident42 Ų4240.6 Ų40.622%0.2222%0.221CC..Hα-helixtrans-59.7-32.8175.4-145.290000111.4F26 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD1 4.2Å; F26-L85 HydrophobicContact CD1-CD2 3.47Å; F26-L85 VanDerWaalsContact CD1-CD2 3.47Å; F26-L85 HydrophobicContact CD1-CG 4.47Å; F26-L85 HydrophobicContact CE1-CD1 4.03Å; F26-L85 HydrophobicContact CE1-CD2 3.9Å; F26-L85 HydrophobicContact CG-CD2 4.5Å; L30-L85 HydrophobicContact CD1-CD1 3.42Å; L30-L85 VanDerWaalsContact CD1-CD1 3.42Å; T81-L85 WeakPolarHBondContact O-CB 3.49Å; T81-L85 PolarHBondContact O-N 3.12Å; L85-L87 VanDerWaalsContact C-N 3.31Å; L85-L87 PolarHBondContact O-N 3.32Å; L85-L88 HydrophobicContact CD1-CD1 4.45Å; L85-L88 HydrophobicContact CG-CD1 4.14Å; L85-L88 VanDerWaalsContact O-CB 3.27Å; L85-L88 WeakPolarHBondContact O-CB 3.44Å; L85-L88 VanDerWaalsContact O-CG 3.29Å; L85-L88 WeakPolarHBondContact O-CG 3.48Å; L85-L88 PolarHBondContact O-N 3.17Å; L85-S91 PolarHBondContact O-OG 3.47Å; L85-S91 VanDerWaalsContact O-OG 3.07Å
86G85.1Confident86.5Confident2 Ų240.3 Ų40.32%0.02122%0.22CC..Hα-helixtrans-62.3-31.1178.900000116.8T82 N83 L84 L88 S91 H168T82-G86 PolarHBondContact O-N 3.26Å; N83-G86 WeakPolarHBondContact O-CA 3.36Å; N83-G86 PolarHBondContact O-N 3.29Å; L84-G86 PolarHBondContact O-N 3.28Å; G86-L88 PolarHBondContact O-N 2.98Å; G86-S91 VanDerWaalsContact C-OG 3.28Å; G86-S91 WeakPolarHBondContact CA-OG 3.26Å; G86-S91 PolarHBondContact O-OG 3.32Å; G86-H168 PolarHBondContact O-CE1 3.07Å; G86-H168 PolarHBondContact O-NE2 3.42Å
87L86.1Confident86.4Confident38 Ų3842.8 Ų42.820%0.19923%0.232CC..THydrogen-bonded Turntrans-75.9-5.7179.5-60.9175.5000112.4N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 2.74Å; L84-L87 PolarHBondContact O-N 3.3Å; L85-L87 VanDerWaalsContact C-N 3.31Å; L85-L87 PolarHBondContact O-N 3.32Å; L87-M171 HydrophobicContact CD2-CE 4.02Å; L87-E203 HydrophobicContact CD1-CG 4.42Å; L87-E203 HydrophobicContact CD2-CB 4.22Å; L87-E203 HydrophobicContact CD2-CG 3.41Å; L87-E203 VanDerWaalsContact CD2-CG 3.41Å; L87-I204 HydrophobicContact CD1-CB 4.19Å; L87-I204 HydrophobicContact CD1-CG1 3.61Å; L87-A207 HydrophobicContact CD1-CB 4.05Å
88L86.8Confident86.1Confident97 Ų9744.8 Ų44.851%0.50824%0.241SC..SBendtrans-66.8143.2174.4-65.3175.1000110.6L85 G86 H90 S91L85-L88 HydrophobicContact CD1-CD1 4.45Å; L85-L88 HydrophobicContact CG-CD1 4.14Å; L85-L88 VanDerWaalsContact O-CB 3.27Å; L85-L88 WeakPolarHBondContact O-CB 3.44Å; L85-L88 VanDerWaalsContact O-CG 3.29Å; L85-L88 WeakPolarHBondContact O-CG 3.48Å; L85-L88 PolarHBondContact O-N 3.17Å; G86-L88 PolarHBondContact O-N 2.98Å; L88-H90 PolarHBondContact O-N 2.94Å; L88-S91 WeakPolarHBondContact O-CB 3.37Å; L88-S91 PolarHBondContact O-N 2.91Å; L88-S91 VanDerWaalsContact O-N 3.16Å; L88-S91 PolarHBondContact O-OG 3.37Å
89P80.6Confident86Confident111 Ų11146.6 Ų46.672%0.72126%0.259SS*.THydrogen-bonded Turntrans-58.8134.5-179.624.8-33.8000110.8S91P89-S91 PolarHBondContact O-N 3.29Å; P89-S91 VanDerWaalsContact O-N 3.12Å
90H80.8Confident85.8Confident205 Ų20548.4 Ų48.495%0.94927%0.269SS*.THydrogen-bonded Turntrans57.916.7-178.9-57.6-67.3000115.9L88L88-H90 PolarHBondContact O-N 2.94Å
91S82.6Confident85.7Confident31 Ų3147 Ų4722%0.21726%0.256CS..  trans-81.5141.4172.4720000111.2L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 3.47Å; L85-S91 VanDerWaalsContact O-OG 3.07Å; G86-S91 VanDerWaalsContact C-OG 3.28Å; G86-S91 WeakPolarHBondContact CA-OG 3.26Å; G86-S91 PolarHBondContact O-OG 3.32Å; L88-S91 WeakPolarHBondContact O-CB 3.37Å; L88-S91 PolarHBondContact O-N 2.91Å; L88-S91 VanDerWaalsContact O-N 3.16Å; L88-S91 PolarHBondContact O-OG 3.37Å; P89-S91 PolarHBondContact O-N 3.29Å; P89-S91 VanDerWaalsContact O-N 3.12Å
92F81.1Confident85.4Confident27 Ų2747.4 Ų47.412%0.11826%0.257CS..  trans-88.4123.6171.4172.1-93.8000109.3S8 A11 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.22Å; A11-F92 HydrophobicContact CB-CZ 4.47Å; P12-F92 HydrophobicContact CG-CB 4.4Å; P12-F92 HydrophobicContact CG-CD1 4.13Å; P12-F92 HydrophobicContact CG-CG 4.09Å; A20-F92 HydrophobicContact CB-CE1 4.4Å; I23-F92 HydrophobicContact CD1-CB 4.01Å; I23-F92 HydrophobicContact CD1-CD1 3.88Å; I23-F92 HydrophobicContact CD1-CG 4.33Å; I23-F92 HydrophobicContact CG2-CD1 4.48Å; I23-F92 WeakPolarHBondContact CG2-O 2.93Å; F92-P94 HydrophobicContact CE1-CB 4.48Å; F92-P94 WeakPolarHBondContact O-CD 3.45Å; F92-Q97 HydrophobicContact CZ-CG 4.18Å
93T82.6Confident85.3Confident3 Ų350.2 Ų50.22%0.01828%0.28CS..  trans-93.5112.3178.329.40000111.1T95 T96 I164T93-T95 PolarHBondContact O-N 2.7Å; T93-T95 VanDerWaalsContact O-N 3.15Å; T93-T96 PolarHBondContact O-N 3.37Å; T93-T96 PolarHBondContact O-OG1 3.15Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.38Å; T93-I164 HydrophobicContact CG2-CG2 4.31Å
94P80.4Confident85.1Confident10 Ų1051.4 Ų51.47%0.06529%0.286CS..G310 helixtrans-63.6-23176.526.5-33.7000112.5I24 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.3Å; I24-P94 HydrophobicContact CG1-CB 3.71Å; I24-P94 HydrophobicContact CG1-CG 4.08Å; F92-P94 HydrophobicContact CE1-CB 4.48Å; F92-P94 WeakPolarHBondContact O-CD 3.45Å; P94-T96 VanDerWaalsContact C-N 3.28Å; P94-T96 PolarHBondContact O-N 3.34Å; P94-Q97 PolarHBondContact O-N 3.4Å; P94-M100 WeakPolarHBondContact O-CB 3.43Å
95T83.8Confident84.9Confident1 Ų146.7 Ų46.71%0.00626%0.262CS..G310 helixtrans-76.4-7.8179.450.60000114.6N83 T93 Q97 N101 L160 I164N83-T95 WeakPolarHBondContact OD1-CB 3.47Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.38Å; N83-T95 PolarHBondContact OD1-OG1 3.18Å; T93-T95 PolarHBondContact O-N 2.7Å; T93-T95 VanDerWaalsContact O-N 3.15Å; T95-Q97 VanDerWaalsContact C-N 3.33Å; T95-N101 PolarHBondContact O-ND2 3.03Å; T95-L160 HydrophobicContact CG2-CD2 3.95Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.37Å
96T84.7Confident84.8Confident10 Ų1048.6 Ų48.66%0.06127%0.272CS..G310 helixtrans-75-26.4169.756.20000112.5F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.85Å; F9-T96 HydrophobicContact CE1-CG2 3.72Å; T93-T96 PolarHBondContact O-N 3.37Å; T93-T96 PolarHBondContact O-OG1 3.15Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.38Å; P94-T96 VanDerWaalsContact C-N 3.28Å; P94-T96 PolarHBondContact O-N 3.34Å; T96-L98 PolarHBondContact O-N 3.44Å; T96-T161 WeakPolarHBondContact O-CG2 3.35Å; T96-I164 HydrophobicContact CG2-CB 4.35Å; T96-I164 HydrophobicContact CG2-CG2 3.66Å; T96-T165 HydrophobicContact CG2-CG2 3.75Å
97Q88Confident85Confident69 Ų6952.4 Ų52.432%0.32230%0.296SS..SBendtrans-78.5119178.1-66.3-64.8-3000109.7F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 2.96Å; F92-Q97 HydrophobicContact CZ-CG 4.18Å; P94-Q97 PolarHBondContact O-N 3.4Å; T95-Q97 VanDerWaalsContact C-N 3.33Å; Q97-S99 PolarHBondContact O-N 3.38Å; Q97-M100 PolarHBondContact O-N 2.93Å; Q97-M100 VanDerWaalsContact O-N 3.09Å; Q97-N101 PolarHBondContact O-N 3.03Å
98L85.6Confident85Confident69 Ų6951.5 Ų51.536%0.36129%0.291SS..Hα-helixtrans-57.1-33.7178.9-177.863.8000112.1T96 M100 N101 L102 M154 A157 V158 T161T96-L98 PolarHBondContact O-N 3.44Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.42Å; L98-N101 PolarHBondContact O-N 3.38Å; L98-L102 VanDerWaalsContact O-CB 3.22Å; L98-L102 WeakPolarHBondContact O-CB 3.15Å; L98-L102 PolarHBondContact O-N 2.83Å; L98-M154 HydrophobicContact CD2-CE 4.18Å; L98-A157 HydrophobicContact CD1-CB 4.36Å; L98-V158 HydrophobicContact CD1-CG2 3.88Å; L98-T161 VanDerWaalsContact CA-CG2 3.45Å; L98-T161 HydrophobicContact CB-CG2 4.03Å; L98-T161 HydrophobicContact CD1-CG2 4.02Å
99S87.1Confident85Confident86 Ų8648.9 Ų48.960%0.60128%0.275SS*.Hα-helixtrans-56.1-43.8176.755.70000112.6Q97 A103Q97-S99 PolarHBondContact O-N 3.38Å; S99-A103 WeakPolarHBondContact O-CB 3.19Å; S99-A103 PolarHBondContact O-N 2.81Å
100M86.7Confident85.2Confident41 Ų4144.9 Ų44.920%0.20225%0.251CS..Hα-helixtrans-68.1-46-178.7-176.162.4-172.700111.4I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-SD 4.37Å; I24-M100 HydrophobicContact CG2-CE 4.26Å; F78-M100 HydrophobicContact CE1-CE 4.03Å; F78-M100 HydrophobicContact CZ-CE 3.99Å; P94-M100 WeakPolarHBondContact O-CB 3.43Å; Q97-M100 PolarHBondContact O-N 2.93Å; Q97-M100 VanDerWaalsContact O-N 3.09Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.42Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.1Å; M100-A103 PolarHBondContact O-N 3.42Å; M100-M104 HydrophobicContact CE-CE 3.74Å; M100-M104 HydrophobicContact CE-CG 4.4Å; M100-M104 HydrophobicContact CE-SD 4.27Å; M100-M104 HydrophobicContact CG-CE 3.64Å; M100-M104 PolarHBondContact O-N 2.98Å; M100-M104 HydrophobicContact SD-CE 4.37Å
101N87.6Confident85.4Confident2 Ų236.2 Ų36.21%0.01122%0.217CC..Hα-helixtrans-67.3-37.5-179.5-66.2-10.9000111.7T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.03Å; Q97-N101 PolarHBondContact O-N 3.03Å; L98-N101 PolarHBondContact O-N 3.38Å; N101-M104 PolarHBondContact O-N 2.88Å; N101-A105 VanDerWaalsContact O-CB 3.3Å; N101-A105 WeakPolarHBondContact O-CB 3.31Å; N101-A105 PolarHBondContact O-N 3.45Å; N101-A157 HydrophobicContact CB-CB 3.91Å; N101-A157 PolarHBondContact ND2-O 3.39Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.3Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.45Å; N101-T161 HydrophobicContact CB-CG2 4.37Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.23Å; N101-T161 PolarHBondContact ND2-N 3.12Å
102L85.6Confident85.4Confident44 Ų4434.8 Ų34.823%0.2321%0.207CC..Hα-helixtrans-70.1-39177.6-162.466.2000111.6L98 M100 M104 A105 I106 M154 A157L98-L102 VanDerWaalsContact O-CB 3.22Å; L98-L102 WeakPolarHBondContact O-CB 3.15Å; L98-L102 PolarHBondContact O-N 2.83Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.1Å; L102-M104 PolarHBondContact O-N 3.33Å; L102-A105 PolarHBondContact O-N 2.95Å; L102-I106 HydrophobicContact CD1-CD1 3.82Å; L102-I106 HydrophobicContact CD1-CG1 3.89Å; L102-I106 HydrophobicContact CD2-CD1 4Å; L102-I106 HydrophobicContact CG-CD1 3.52Å; L102-I106 HydrophobicContact CG-CG1 3.98Å; L102-I106 WeakPolarHBondContact O-CG1 3.47Å; L102-I106 PolarHBondContact O-N 2.93Å; L102-M154 HydrophobicContact CD1-SD 3.4Å; L102-M154 WeakPolarHBondContact CD1-SD 3.45Å; L102-M154 HydrophobicContact CD2-SD 4.17Å; L102-M154 HydrophobicContact CG-SD 4.44Å; L102-A157 HydrophobicContact CB-CB 4.49Å; L102-A157 HydrophobicContact CD1-CB 4.09Å
103A88.1Confident85.4Confident62 Ų6234.3 Ų34.351%0.51221%0.206SC..Hα-helixtrans-62.7-29.4173.100000112.8S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.19Å; S99-A103 PolarHBondContact O-N 2.81Å; M100-A103 PolarHBondContact O-N 3.42Å; A103-P107 WeakPolarHBondContact O-CD 3.41Å; A103-P107 WeakPolarHBondContact O-CG 3.5Å
104M85.1Confident85.5Confident28 Ų2838.8 Ų38.814%0.13823%0.229CC..Hα-helixtrans-78.8-46.5170.7-70.8-172.7-97.400112.3F78 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.94Å; F78-M104 HydrophobicContact CE1-CE 4.02Å; F78-M104 HydrophobicContact CE1-SD 3.65Å; M100-M104 HydrophobicContact CE-CE 3.74Å; M100-M104 HydrophobicContact CE-CG 4.4Å; M100-M104 HydrophobicContact CE-SD 4.27Å; M100-M104 HydrophobicContact CG-CE 3.64Å; M100-M104 PolarHBondContact O-N 2.98Å; M100-M104 HydrophobicContact SD-CE 4.37Å; N101-M104 PolarHBondContact O-N 2.88Å; L102-M104 PolarHBondContact O-N 3.33Å; M104-L108 WeakPolarHBondContact O-CD1 3.41Å; M104-L108 VanDerWaalsContact O-CG 3.26Å; M104-L108 WeakPolarHBondContact O-CG 3.08Å
105A86.3Confident85.4Confident3 Ų340.7 Ų40.73%0.02524%0.238CC..Hα-helixtrans-70.2-44.3-171.600000113.7N101 L102 L108 W109 A157 F214N101-A105 VanDerWaalsContact O-CB 3.3Å; N101-A105 WeakPolarHBondContact O-CB 3.31Å; N101-A105 PolarHBondContact O-N 3.45Å; L102-A105 PolarHBondContact O-N 2.95Å; A105-L108 PolarHBondContact O-N 3.07Å; A105-W109 VanDerWaalsContact O-CB 3.32Å; A105-W109 WeakPolarHBondContact O-CB 3.49Å; A105-W109 PolarHBondContact O-N 3.13Å; A105-A157 HydrophobicContact CB-CB 4.25Å; A105-F214 HydrophobicContact CB-CE2 4.37Å; A105-F214 HydrophobicContact CB-CZ 4.17Å
106I87.1Confident85Confident82 Ų8240.7 Ų40.742%0.42124%0.238SC..Hα-helixtrans-62.5-50.1-175.2-66.4176.5000111.8L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.82Å; L102-I106 HydrophobicContact CD1-CG1 3.89Å; L102-I106 HydrophobicContact CD2-CD1 4Å; L102-I106 HydrophobicContact CG-CD1 3.52Å; L102-I106 HydrophobicContact CG-CG1 3.98Å; L102-I106 WeakPolarHBondContact O-CG1 3.47Å; L102-I106 PolarHBondContact O-N 2.93Å; I106-L108 PolarHBondContact O-N 2.9Å; I106-W109 PolarHBondContact O-N 3.45Å; I106-A110 WeakPolarHBondContact O-CB 3.34Å; I106-A110 PolarHBondContact O-N 3.4Å
107P88.6Confident84.7Confident81 Ų8144.2 Ų44.253%0.52625%0.253SS..Hα-helixtrans-64.8-37.8-178.9-2436.4000113.2A103 G111A103-P107 WeakPolarHBondContact O-CD 3.41Å; A103-P107 WeakPolarHBondContact O-CG 3.5Å; P107-G111 PolarHBondContact O-N 3.07Å
108L86.9Confident84.1Confident20 Ų2051.3 Ų51.311%0.10528%0.276CS..Hα-helixtrans-64.3-47.6178.1-72.9169.2000111.6M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.21Å; M71-L108 HydrophobicContact CG-CD2 4.26Å; M71-L108 HydrophobicContact SD-CD2 3.44Å; M71-L108 WeakPolarHBondContact SD-CD2 3.4Å; L75-L108 HydrophobicContact CD1-CD1 3.57Å; L75-L108 HydrophobicContact CD2-CD1 3.7Å; L75-L108 HydrophobicContact CG-CD1 4.27Å; M104-L108 WeakPolarHBondContact O-CD1 3.41Å; M104-L108 VanDerWaalsContact O-CG 3.26Å; M104-L108 WeakPolarHBondContact O-CG 3.08Å; A105-L108 PolarHBondContact O-N 3.07Å; I106-L108 PolarHBondContact O-N 2.9Å; L108-G111 PolarHBondContact O-N 2.95Å; L108-A112 PolarHBondContact O-N 3.41Å; L108-A112 VanDerWaalsContact O-N 3.11Å; L108-F214 HydrophobicContact CD1-CE1 4.09Å; L108-V218 HydrophobicContact CB-CG1 4.48Å
109W85.8Confident83.2Confident42 Ų4250.5 Ų50.516%0.15928%0.277CS..Hα-helixtrans-64.5-47.4176.5172.790.3000111.5A105 I106 G111 A112 V113 L149 L150 P153A105-W109 VanDerWaalsContact O-CB 3.32Å; A105-W109 WeakPolarHBondContact O-CB 3.49Å; A105-W109 PolarHBondContact O-N 3.13Å; I106-W109 PolarHBondContact O-N 3.45Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.28Å; W109-A112 PolarHBondContact O-N 3.29Å; W109-A112 VanDerWaalsContact O-N 3.14Å; W109-V113 HydrophobicContact CD2-CG2 4.06Å; W109-V113 HydrophobicContact CH2-CG2 4.37Å; W109-V113 HydrophobicContact CZ2-CG2 3.9Å; W109-V113 WeakPolarHBondContact O-CG2 3.4Å; W109-V113 PolarHBondContact O-N 3.4Å; W109-L149 HydrophobicContact CH2-CD2 4.13Å; W109-L149 HydrophobicContact CZ2-CD2 3.44Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.44Å; W109-L149 HydrophobicContact CZ2-CG 3.93Å; W109-L149 VanDerWaalsContact CZ2-O 3.28Å; W109-L149 WeakPolarHBondContact CZ2-O 2.96Å; W109-L149 PolarHBondContact NE1-O 2.87Å; W109-L150 HydrophobicContact CH2-CD2 3.71Å; W109-L150 HydrophobicContact CZ2-CD2 4.23Å; W109-P153 HydrophobicContact CB-CB 3.89Å; W109-P153 HydrophobicContact CB-CG 4.36Å; W109-P153 HydrophobicContact CD2-CB 4.32Å; W109-P153 HydrophobicContact CD2-CG 3.81Å; W109-P153 HydrophobicContact CE3-CG 4.39Å; W109-P153 HydrophobicContact CG-CB 3.81Å; W109-P153 HydrophobicContact CG-CG 3.77Å
110A84.4Confident82.4Confident26 Ų2650.8 Ų50.822%0.21527%0.267CS..Hα-helixtrans-60.5-41179.200000110.8I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.34Å; I106-A110 PolarHBondContact O-N 3.4Å; A110-V113 PolarHBondContact O-N 3.24Å; A110-I114 VanDerWaalsContact O-CB 3.29Å; A110-I114 WeakPolarHBondContact O-CB 3.31Å; A110-I114 WeakPolarHBondContact O-CD1 3.31Å; A110-I114 WeakPolarHBondContact O-CG1 3.16Å; A110-I114 PolarHBondContact O-N 2.99Å
111G84.6Confident81.3Confident24 Ų2454.1 Ų54.125%0.24729%0.285CS..Hα-helixtrans-59.7-45.1174.700000113P107 L108 W109 M115P107-G111 PolarHBondContact O-N 3.07Å; L108-G111 PolarHBondContact O-N 2.95Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.28Å; G111-M115 VanDerWaalsContact O-CB 3.32Å; G111-M115 WeakPolarHBondContact O-CB 3.34Å; G111-M115 PolarHBondContact O-N 3.23Å
112A82.5Confident80.1Confident1 Ų163.1 Ų63.11%0.00832%0.324CS..Hα-helixtrans-63.5-45.8177.200000112L108 W109 M115 G116 L222L108-A112 PolarHBondContact O-N 3.41Å; L108-A112 VanDerWaalsContact O-N 3.11Å; W109-A112 PolarHBondContact O-N 3.29Å; W109-A112 VanDerWaalsContact O-N 3.14Å; A112-M115 PolarHBondContact O-N 2.88Å; A112-G116 PolarHBondContact O-N 3.08Å; A112-L222 HydrophobicContact CB-CD1 4.37Å
113V82.4Confident79.1Confident16 Ų1665.9 Ų65.910%0.09734%0.339CS..Hα-helixtrans-65-45.9179.1172.40000111.5W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.06Å; W109-V113 HydrophobicContact CH2-CG2 4.37Å; W109-V113 HydrophobicContact CZ2-CG2 3.9Å; W109-V113 WeakPolarHBondContact O-CG2 3.4Å; W109-V113 PolarHBondContact O-N 3.4Å; A110-V113 PolarHBondContact O-N 3.24Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.42Å; V113-G116 PolarHBondContact O-N 2.98Å; V113-G116 VanDerWaalsContact O-N 3.16Å; V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.36Å; V113-F117 WeakPolarHBondContact O-CD2 3.49Å; V113-F117 PolarHBondContact O-N 3.45Å
114I83.7Confident77.9Confident98 Ų9863.9 Ų63.950%0.50332%0.322SS..Hα-helixtrans-61.5-39.2176.9-68.2165.2000110.6A110 F117 R118A110-I114 VanDerWaalsContact O-CB 3.29Å; A110-I114 WeakPolarHBondContact O-CB 3.31Å; A110-I114 WeakPolarHBondContact O-CD1 3.31Å; A110-I114 WeakPolarHBondContact O-CG1 3.16Å; A110-I114 PolarHBondContact O-N 2.99Å; I114-F117 PolarHBondContact O-N 3.25Å; I114-R118 HydrophobicContact CG2-CG 4.45Å; I114-R118 WeakPolarHBondContact O-CB 3.3Å; I114-R118 VanDerWaalsContact O-CG 3.3Å; I114-R118 WeakPolarHBondContact O-CG 3.45Å; I114-R118 PolarHBondContact O-N 3.21Å
115M79.8Confident76.8Confident50 Ų5067 Ų6725%0.24634%0.339CS..Hα-helixtrans-66-37.8176.2-168.8171.3-177.800112.1W68 G111 A112 V113 R118 S119 L222W68-M115 HydrophobicContact CZ2-SD 3.92Å; W68-M115 PolarHBondContact NE1-SD 2.87Å; G111-M115 VanDerWaalsContact O-CB 3.32Å; G111-M115 WeakPolarHBondContact O-CB 3.34Å; G111-M115 PolarHBondContact O-N 3.23Å; A112-M115 PolarHBondContact O-N 2.88Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.42Å; M115-R118 PolarHBondContact O-N 2.87Å; M115-S119 WeakPolarHBondContact O-CB 3.06Å; M115-S119 PolarHBondContact O-N 3.35Å; M115-S119 PolarHBondContact O-OG 3.31Å; M115-S119 VanDerWaalsContact O-OG 3.11Å; M115-L222 HydrophobicContact SD-CD1 4.27Å
116G74.9Confident75.6Confident1 Ų169.4 Ų69.41%0.0136%0.358CS..Hα-helixtrans-61.3-50.817300000112.7A112 V113 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 3.08Å; V113-G116 PolarHBondContact O-N 2.98Å; V113-G116 VanDerWaalsContact O-N 3.16Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 2.95Å; G116-S119 PolarHBondContact O-N 3Å; G116-S119 PolarHBondContact O-OG 3.29Å; G116-K120 PolarHBondContact O-N 2.93Å; G116-N225 VanDerWaalsContact CA-O 3.27Å; G116-N225 WeakPolarHBondContact CA-O 3.21Å
117F77.3Confident74.4Confident83 Ų8371 Ų7136%0.36436%0.364SS..Hα-helixtrans-59.8-39.9175.4-77.7-63000112.2V113 I114 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.62Å; V113-F117 HydrophobicContact CG1-CE2 3.36Å; V113-F117 WeakPolarHBondContact O-CD2 3.49Å; V113-F117 PolarHBondContact O-N 3.45Å; I114-F117 PolarHBondContact O-N 3.25Å; F117-I121 WeakPolarHBondContact O-CG1 3.4Å; F117-A124 HydrophobicContact CD1-CB 4.36Å; F117-A124 HydrophobicContact CE1-CB 4.46Å; F117-L125 HydrophobicContact CD1-CD1 4.27Å; F117-L125 HydrophobicContact CE1-CD1 3.86Å; F117-F128 HydrophobicContact CZ-CE2 4.48Å
118R75.7Confident73.1Confident218 Ų21869 Ų6982%0.82335%0.347SS*.Hα-helixtrans-70.7-34178.9-73.8-179.169.7-166.61.8113.7I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.45Å; I114-R118 WeakPolarHBondContact O-CB 3.3Å; I114-R118 VanDerWaalsContact O-CG 3.3Å; I114-R118 WeakPolarHBondContact O-CG 3.45Å; I114-R118 PolarHBondContact O-N 3.21Å; M115-R118 PolarHBondContact O-N 2.87Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 2.95Å
119S68.1Low71.9Confident52 Ų5270.8 Ų70.836%0.36436%0.356SS..Hα-helixtrans-88.8-39.6-172.671.90000113.4M115 G116 N225M115-S119 WeakPolarHBondContact O-CB 3.06Å; M115-S119 PolarHBondContact O-N 3.35Å; M115-S119 PolarHBondContact O-OG 3.31Å; M115-S119 VanDerWaalsContact O-OG 3.11Å; G116-S119 PolarHBondContact O-N 3Å; G116-S119 PolarHBondContact O-OG 3.29Å; S119-N225 PolarHBondContact OG-O 2.9Å
120K68.6Low70.6Confident93 Ų9372.1 Ų72.140%0.40437%0.371SS..  trans-147.272.6-177.2-67.9175.7-178.5157.80111.5G116 K122 N123 A124 T226G116-K120 PolarHBondContact O-N 2.93Å; K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 3.33Å; K120-K122 VanDerWaalsContact O-N 3.17Å; K120-N123 HydrophobicContact CB-CB 3.92Å; K120-N123 HydrophobicContact CD-CB 4.24Å; K120-N123 PolarHBondContact O-N 3.04Å; K120-N123 VanDerWaalsContact O-N 3.12Å; K120-A124 WeakPolarHBondContact O-CB 3.32Å; K120-A124 PolarHBondContact O-N 3.26Å; K120-T226 WeakPolarHBondContact CE-O 3.47Å; K120-T226 VanDerWaalsContact NZ-C 3.3Å; K120-T226 PolarHBondContact NZ-O 3.47Å; K120-T226 PolarHBondContact NZ-OXT 3.44Å; K120-T226 VanDerWaalsContact NZ-OXT 3.11Å
121I64Low69.4Low111 Ų11180.7 Ų80.757%0.56941%0.406SS*.Hα-helixtrans-47.5-48.2177-60.2170.9000111.7F117 N123 L125F117-I121 WeakPolarHBondContact O-CG1 3.4Å; I121-N123 PolarHBondContact O-N 3.34Å; I121-L125 HydrophobicContact CG2-CD1 3.87Å; I121-L125 WeakPolarHBondContact O-CD1 3.33Å; I121-L125 PolarHBondContact O-N 3.06Å
122K61.9Low68.3Low191 Ų19183.5 Ų83.583%0.8344%0.435SS*.Hα-helixtrans-67.7-37-175.8-64.5-175.7-179.6-177.40113.4K120 A126K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 3.33Å; K120-K122 VanDerWaalsContact O-N 3.17Å; K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.44Å; K122-A126 PolarHBondContact O-N 2.98Å
123N65.8Low67.7Low102 Ų10285 Ų8555%0.54544%0.444SS..Hα-helixtrans-79.6-35.8-178.1-145.861000111.3K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.92Å; K120-N123 HydrophobicContact CD-CB 4.24Å; K120-N123 PolarHBondContact O-N 3.04Å; K120-N123 VanDerWaalsContact O-N 3.12Å; I121-N123 PolarHBondContact O-N 3.34Å; N123-A126 PolarHBondContact O-N 2.93Å; N123-H127 PolarHBondContact O-N 3.46Å; N123-H127 VanDerWaalsContact O-N 3.1Å
124A62.4Low67.2Low19 Ų1987.9 Ų87.916%0.15746%0.463CS..Hα-helixtrans-63.2-43172.600000111.5F117 K120 H127F117-A124 HydrophobicContact CD1-CB 4.36Å; F117-A124 HydrophobicContact CE1-CB 4.46Å; K120-A124 WeakPolarHBondContact O-CB 3.32Å; K120-A124 PolarHBondContact O-N 3.26Å; A124-H127 PolarHBondContact O-N 3.22Å
125L62.4Low66.8Low94 Ų9489 Ų8949%0.49247%0.474SS..Hα-helixtrans-70-32.1174.3-89.484000113F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.27Å; F117-L125 HydrophobicContact CE1-CD1 3.86Å; I121-L125 HydrophobicContact CG2-CD1 3.87Å; I121-L125 WeakPolarHBondContact O-CD1 3.33Å; I121-L125 PolarHBondContact O-N 3.06Å; L125-H127 VanDerWaalsContact C-N 3.29Å; L125-H127 PolarHBondContact O-N 2.72Å; L125-F128 PolarHBondContact O-N 3.08Å
126A61Low66.9Low53 Ų5391.5 Ų91.544%0.43850%0.495SS..Hα-helixtrans-68.2-27.9176.700000112.6K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.44Å; K122-A126 PolarHBondContact O-N 2.98Å; N123-A126 PolarHBondContact O-N 2.93Å; A126-F128 PolarHBondContact O-N 3.34Å; A126-L129 PolarHBondContact O-N 3.03Å; A126-L129 VanDerWaalsContact O-N 3.07Å
127H62.6Low67.1Low117 Ų11796.5 Ų96.554%0.54252%0.521SS..THydrogen-bonded Turntrans-66.6-21175.6-159.1-59.2000112.8N123 A124 L125 L129N123-H127 PolarHBondContact O-N 3.46Å; N123-H127 VanDerWaalsContact O-N 3.1Å; A124-H127 PolarHBondContact O-N 3.22Å; L125-H127 VanDerWaalsContact C-N 3.29Å; L125-H127 PolarHBondContact O-N 2.72Å; H127-L129 PolarHBondContact O-N 2.79Å
128F61Low67.1Low37 Ų3795 Ų9516%0.16252%0.516CS..THydrogen-bonded Turntrans-67.7-13.3172.6-68.7-56.5000113.3F117 L125 A126 L141 E145 T146 L149F117-F128 HydrophobicContact CZ-CE2 4.48Å; L125-F128 PolarHBondContact O-N 3.08Å; A126-F128 PolarHBondContact O-N 3.34Å; F128-L141 WeakPolarHBondContact O-CD2 3.39Å; F128-E145 HydrophobicContact CD1-CB 4.25Å; F128-E145 HydrophobicContact CD1-CG 3.84Å; F128-T146 HydrophobicContact CD1-CG2 4.2Å; F128-T146 HydrophobicContact CE1-CG2 3.95Å; F128-T146 HydrophobicContact CZ-CG2 4.4Å; F128-L149 HydrophobicContact CE1-CD1 4.4Å
129L60.8Low67.3Low58 Ų5888.5 Ų88.530%0.30450%0.502SS..SBendtrans-127.7109.9-179.1-128.777000111.5A126 H127 Q131 I138 L141 V142A126-L129 PolarHBondContact O-N 3.03Å; A126-L129 VanDerWaalsContact O-N 3.07Å; H127-L129 PolarHBondContact O-N 2.79Å; L129-Q131 PolarHBondContact O-N 3.16Å; L129-I138 HydrophobicContact CD1-CG2 3.83Å; L129-I138 HydrophobicContact CD2-CD1 4.15Å; L129-I138 HydrophobicContact CD2-CG1 4.18Å; L129-I138 HydrophobicContact CD2-CG2 4.04Å; L129-L141 HydrophobicContact CD1-CD2 4.49Å; L129-V142 HydrophobicContact CD1-CG2 3.36Å
130P59.4Low68Low71 Ų7191.4 Ų91.446%0.46151%0.511SS..  trans-62.4138169.719.9-22.1000109.7G132 T133 L141P130-G132 PolarHBondContact O-N 3.44Å; P130-T133 HydrophobicContact CG-CG2 3.73Å; P130-T133 WeakPolarHBondContact O-CG2 3.24Å; P130-L141 HydrophobicContact CG-CD1 3.93Å; P130-L141 HydrophobicContact CG-CD2 4.05Å
131Q59.4Low68.7Low205 Ų20589.3 Ų89.396%0.95850%0.504SS*.THydrogen-bonded Turntrans-64.7127-177.7-63.3-166.7-0.300110.2L129L129-Q131 PolarHBondContact O-N 3.16Å
132G61.3Low69.5Low83 Ų8386.3 Ų86.386%0.85649%0.491SS*.THydrogen-bonded Turntrans101.612.3176.200000116.2P130P130-G132 PolarHBondContact O-N 3.44Å
133T69.3Low70.6Confident34 Ų3481.6 Ų81.621%0.20947%0.474CS..  trans-71.6135.3176.652.70000112.8P130 L141P130-T133 HydrophobicContact CG-CG2 3.73Å; P130-T133 WeakPolarHBondContact O-CG2 3.24Å; T133-L141 HydrophobicContact CG2-CD1 3.95Å
134P71.7Confident71.5Confident76 Ų7681.2 Ų81.249%0.49447%0.471SS..  trans-58.9137.7173.6-18.328.4000111.7P136 L137P134-P136 VanDerWaalsContact C-N 3.33Å; P134-P136 HydrophobicContact CB-CG 4.5Å; P134-P136 WeakPolarHBondContact O-CD 3.36Å; P134-P136 VanDerWaalsContact O-N 3.12Å; P134-L137 HydrophobicContact CB-CD1 4.46Å; P134-L137 HydrophobicContact CG-CD1 4.13Å; P134-L137 PolarHBondContact O-N 3.04Å
135T75.2Confident72.5Confident120 Ų12083.3 Ų83.374%0.73648%0.477SS*.THydrogen-bonded Turntrans-49.5-34.8-176.650.20000116.6I138T135-I138 HydrophobicContact CG2-CD1 4.49Å
136P81.6Confident73.4Confident104 Ų10481.2 Ų81.268%0.67547%0.468SS*.THydrogen-bonded Turntrans-76.5-21.5178.927.5-34.6000114.7P134 P139P134-P136 VanDerWaalsContact C-N 3.33Å; P134-P136 HydrophobicContact CB-CG 4.5Å; P134-P136 WeakPolarHBondContact O-CD 3.36Å; P134-P136 VanDerWaalsContact O-N 3.12Å; P136-P139 WeakPolarHBondContact O-CD 3.49Å
137L79.3Confident74.5Confident105 Ų10582.7 Ų82.755%0.5547%0.468SS..THydrogen-bonded Turntrans-89.6-12-176.7-68.4168.2000113.2P134 M140 L141P134-L137 HydrophobicContact CB-CD1 4.46Å; P134-L137 HydrophobicContact CG-CD1 4.13Å; P134-L137 PolarHBondContact O-N 3.04Å; L137-M140 PolarHBondContact O-N 3.14Å; L137-L141 PolarHBondContact O-N 3.01Å; L137-L141 VanDerWaalsContact O-N 3.12Å
138I78.7Confident75.5Confident51 Ų5179.5 Ų79.526%0.26246%0.459SS..Hα-helixtrans-52.9-49.6-177.9-67.6177.9000112.4L129 T135 M140 L141 V142L129-I138 HydrophobicContact CD1-CG2 3.83Å; L129-I138 HydrophobicContact CD2-CD1 4.15Å; L129-I138 HydrophobicContact CD2-CG1 4.18Å; L129-I138 HydrophobicContact CD2-CG2 4.04Å; T135-I138 HydrophobicContact CG2-CD1 4.49Å; I138-M140 VanDerWaalsContact C-N 3.35Å; I138-M140 PolarHBondContact O-N 2.73Å; I138-L141 PolarHBondContact O-N 3.01Å; I138-V142 WeakPolarHBondContact O-CG2 3.35Å; I138-V142 PolarHBondContact O-N 2.78Å
139P78.9Confident76.5Confident82 Ų8279.9 Ų79.953%0.53246%0.463SS..Hα-helixtrans-65.6-37.4-174.9-20.133.3000112.8P136 I143P136-P139 WeakPolarHBondContact O-CD 3.49Å; P139-I143 WeakPolarHBondContact O-CG1 3.42Å; P139-I143 PolarHBondContact O-N 3.48Å
140M82.9Confident77.5Confident114 Ų11482.2 Ų82.256%0.56248%0.475SS*.Hα-helixtrans-69.4-40.8179.1-173.863.5-171.600111.5L137 I138 I143 I144L137-M140 PolarHBondContact O-N 3.14Å; I138-M140 VanDerWaalsContact C-N 3.35Å; I138-M140 PolarHBondContact O-N 2.73Å; M140-I143 PolarHBondContact O-N 2.93Å; M140-I144 HydrophobicContact CE-CD1 3.95Å; M140-I144 HydrophobicContact CE-CG1 4.15Å; M140-I144 HydrophobicContact CG-CD1 4.13Å; M140-I144 WeakPolarHBondContact O-CG1 3.31Å; M140-I144 PolarHBondContact O-N 3.5Å; M140-I144 VanDerWaalsContact O-N 3.11Å
141L83.8Confident78.7Confident48 Ų4883.6 Ų83.625%0.25148%0.477SS..Hα-helixtrans-66.8-39.9-178.3-170.4146.5000112.1F128 L129 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 3.39Å; L129-L141 HydrophobicContact CD1-CD2 4.49Å; P130-L141 HydrophobicContact CG-CD1 3.93Å; P130-L141 HydrophobicContact CG-CD2 4.05Å; T133-L141 HydrophobicContact CG2-CD1 3.95Å; L137-L141 PolarHBondContact O-N 3.01Å; L137-L141 VanDerWaalsContact O-N 3.12Å; I138-L141 PolarHBondContact O-N 3.01Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 3.39Å; L141-I144 PolarHBondContact O-N 3.5Å; L141-E145 WeakPolarHBondContact O-CB 3.46Å; L141-E145 PolarHBondContact O-N 2.97Å
142V80.7Confident79.8Confident49 Ų4977.2 Ų77.230%0.29745%0.448SS..Hα-helixtrans-60.7-40.4175.4174.70000111.2L129 I138 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.36Å; I138-V142 WeakPolarHBondContact O-CG2 3.35Å; I138-V142 PolarHBondContact O-N 2.78Å; V142-E145 PolarHBondContact O-N 3.07Å; V142-T146 HydrophobicContact CG1-CG2 4.37Å; V142-T146 WeakPolarHBondContact O-CB 2.97Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.31Å; V142-T146 PolarHBondContact O-N 3.35Å; V142-T146 PolarHBondContact O-OG1 3.37Å
143I84.5Confident80.6Confident91 Ų9173.8 Ų73.847%0.46741%0.41SS..Hα-helixtrans-63.7-44.2176.7-65.8166.8000110.6P139 M140 L141 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.42Å; P139-I143 PolarHBondContact O-N 3.48Å; M140-I143 PolarHBondContact O-N 2.93Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 3.39Å; I143-T146 WeakPolarHBondContact CA-OG1 3.38Å; I143-T146 PolarHBondContact O-OG1 3.18Å; I143-I147 HydrophobicContact CG2-CD1 3.8Å; I143-I147 WeakPolarHBondContact O-CD1 3.12Å; I143-I147 VanDerWaalsContact O-CG1 3.24Å; I143-I147 WeakPolarHBondContact O-CG1 3.44Å; I143-I147 PolarHBondContact O-N 3.35Å; I143-I147 VanDerWaalsContact O-N 3.07Å
144I85.4Confident81.3Confident94 Ų9476 Ų7648%0.48242%0.419SS..Hα-helixtrans-65.1-43.3179.2-64.6166.3000111M140 L141 I147 S148M140-I144 HydrophobicContact CE-CD1 3.95Å; M140-I144 HydrophobicContact CE-CG1 4.15Å; M140-I144 HydrophobicContact CG-CD1 4.13Å; M140-I144 WeakPolarHBondContact O-CG1 3.31Å; M140-I144 PolarHBondContact O-N 3.5Å; M140-I144 VanDerWaalsContact O-N 3.11Å; L141-I144 PolarHBondContact O-N 3.5Å; I144-I147 PolarHBondContact O-N 2.93Å; I144-S148 WeakPolarHBondContact O-CB 3.14Å; I144-S148 PolarHBondContact O-N 3.43Å
145E83.4Confident81.9Confident63 Ų6374.3 Ų74.329%0.29441%0.411SS..Hα-helixtrans-67.3-39.7-178.7-166.661.7-158.900111.8F128 L141 V142 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.25Å; F128-E145 HydrophobicContact CD1-CG 3.84Å; L141-E145 WeakPolarHBondContact O-CB 3.46Å; L141-E145 PolarHBondContact O-N 2.97Å; V142-E145 PolarHBondContact O-N 3.07Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 3.35Å; E145-S148 WeakPolarHBondContact O-CB 3.21Å; E145-S148 PolarHBondContact O-N 3.44Å; E145-L149 WeakPolarHBondContact O-CB 3.34Å; E145-L149 PolarHBondContact O-N 2.99Å
146T80.6Confident82.1Confident50 Ų5068.9 Ų68.931%0.30738%0.378SS..Hα-helixtrans-63.4-38.8174520000112.2F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.2Å; F128-T146 HydrophobicContact CE1-CG2 3.95Å; F128-T146 HydrophobicContact CZ-CG2 4.4Å; V142-T146 HydrophobicContact CG1-CG2 4.37Å; V142-T146 WeakPolarHBondContact O-CB 2.97Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.31Å; V142-T146 PolarHBondContact O-N 3.35Å; V142-T146 PolarHBondContact O-OG1 3.37Å; I143-T146 WeakPolarHBondContact CA-OG1 3.38Å; I143-T146 PolarHBondContact O-OG1 3.18Å; T146-L150 WeakPolarHBondContact O-CG 3.31Å; T146-L150 PolarHBondContact O-N 3.3Å
147I84.9Confident82.1Confident84 Ų8464 Ų6443%0.43135%0.346SS..Hα-helixtrans-66.6-43.7173.5-68166.6000110.9I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.8Å; I143-I147 WeakPolarHBondContact O-CD1 3.12Å; I143-I147 VanDerWaalsContact O-CG1 3.24Å; I143-I147 WeakPolarHBondContact O-CG1 3.44Å; I143-I147 PolarHBondContact O-N 3.35Å; I143-I147 VanDerWaalsContact O-N 3.07Å; I144-I147 PolarHBondContact O-N 2.93Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 3.35Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 2.96Å; I147-L150 PolarHBondContact O-N 3.26Å; I147-L150 VanDerWaalsContact O-N 3.15Å; I147-I151 HydrophobicContact CG2-CD1 3.46Å; I147-I151 VanDerWaalsContact CG2-CD1 3.46Å; I147-I151 HydrophobicContact CG2-CG1 4.12Å; I147-I151 WeakPolarHBondContact O-CG1 3.49Å; I147-I151 PolarHBondContact O-N 3.38Å
148S83.4Confident82.4Confident51 Ų5161.9 Ų61.936%0.35734%0.337SS..Hα-helixtrans-57.1-46.7178.1-176.70000111.8I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.14Å; I144-S148 PolarHBondContact O-N 3.43Å; E145-S148 WeakPolarHBondContact O-CB 3.21Å; E145-S148 PolarHBondContact O-N 3.44Å; S148-L150 VanDerWaalsContact C-N 3.28Å; S148-L150 PolarHBondContact O-N 3.5Å; S148-I151 PolarHBondContact O-N 2.88Å; S148-Q152 PolarHBondContact O-N 3.36Å; S148-Q152 VanDerWaalsContact O-N 3.12Å
149L81.8Confident82.8Confident45 Ų4564.2 Ų64.224%0.23634%0.343CS..Hα-helixtrans-60.7-35.3177.8-174.1123.2000112.3W109 F128 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.13Å; W109-L149 HydrophobicContact CZ2-CD2 3.44Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.44Å; W109-L149 HydrophobicContact CZ2-CG 3.93Å; W109-L149 VanDerWaalsContact CZ2-O 3.28Å; W109-L149 WeakPolarHBondContact CZ2-O 2.96Å; W109-L149 PolarHBondContact NE1-O 2.87Å; F128-L149 HydrophobicContact CE1-CD1 4.4Å; E145-L149 WeakPolarHBondContact O-CB 3.34Å; E145-L149 PolarHBondContact O-N 2.99Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 2.96Å; L149-P153 WeakPolarHBondContact O-CD 3.3Å
150L81.6Confident82.9Confident107 Ų10760.4 Ų60.456%0.5632%0.318SS*.Hα-helixtrans-78.6-35176.8-71.5173.2000113.7W109 T146 I147 S148 P153W109-L150 HydrophobicContact CH2-CD2 3.71Å; W109-L150 HydrophobicContact CZ2-CD2 4.23Å; T146-L150 WeakPolarHBondContact O-CG 3.31Å; T146-L150 PolarHBondContact O-N 3.3Å; I147-L150 PolarHBondContact O-N 3.26Å; I147-L150 VanDerWaalsContact O-N 3.15Å; S148-L150 VanDerWaalsContact C-N 3.28Å; S148-L150 PolarHBondContact O-N 3.5Å; L150-P153 WeakPolarHBondContact O-CD 3.35Å; L150-P153 WeakPolarHBondContact O-CG 3.05Å
151I84.6Confident83Confident100 Ų10055.7 Ų55.751%0.51330%0.295SS..Hα-helixtrans-73.2-32-178.9-69.7173.8000111.3I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.46Å; I147-I151 VanDerWaalsContact CG2-CD1 3.46Å; I147-I151 HydrophobicContact CG2-CG1 4.12Å; I147-I151 WeakPolarHBondContact O-CG1 3.49Å; I147-I151 PolarHBondContact O-N 3.38Å; S148-I151 PolarHBondContact O-N 2.88Å; I151-M154 WeakPolarHBondContact O-CB 3.38Å; I151-M154 PolarHBondContact O-N 2.98Å; I151-M154 VanDerWaalsContact O-N 3.12Å; I151-A155 HydrophobicContact CG2-CB 4.44Å; I151-A155 WeakPolarHBondContact O-CB 3.17Å; I151-A155 PolarHBondContact O-N 3.47Å
152Q82.7Confident83Confident71 Ų7155.3 Ų55.333%0.33230%0.3SS..Hα-helixtrans-51.1-52.7-177.5-108.9173.6-18.200115.9S148 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 3.36Å; S148-Q152 VanDerWaalsContact O-N 3.12Å; Q152-M154 VanDerWaalsContact C-N 3.28Å; Q152-M154 PolarHBondContact O-N 2.92Å; Q152-A155 PolarHBondContact O-N 2.68Å; Q152-L156 WeakPolarHBondContact O-CB 3.49Å; Q152-L156 PolarHBondContact O-N 2.89Å; Q152-Y221 VanDerWaalsContact CD-CZ 3.4Å; Q152-Y221 HydrophobicContact CG-CE1 4.43Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.3Å; Q152-Y221 PolarHBondContact NE2-OH 3.23Å; Q152-Y221 PolarHBondContact OE1-OH 3.37Å
153P77.7Confident83.4Confident10 Ų1055.8 Ų55.87%0.06530%0.3CS..Hα-helixtrans-64.3-34.2178.324-34.6000112.3W109 L149 L150 A157W109-P153 HydrophobicContact CB-CB 3.89Å; W109-P153 HydrophobicContact CB-CG 4.36Å; W109-P153 HydrophobicContact CD2-CB 4.32Å; W109-P153 HydrophobicContact CD2-CG 3.81Å; W109-P153 HydrophobicContact CE3-CG 4.39Å; W109-P153 HydrophobicContact CG-CB 3.81Å; W109-P153 HydrophobicContact CG-CG 3.77Å; L149-P153 WeakPolarHBondContact O-CD 3.3Å; L150-P153 WeakPolarHBondContact O-CD 3.35Å; L150-P153 WeakPolarHBondContact O-CG 3.05Å; P153-A157 PolarHBondContact O-N 3.41Å
154M83.1Confident83.4Confident81 Ų8151.7 Ų51.740%0.39928%0.279SS..Hα-helixtrans-66.7-46.2175.1-170.665.8-178.600111.1L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD2-CE 4.18Å; L102-M154 HydrophobicContact CD1-SD 3.4Å; L102-M154 WeakPolarHBondContact CD1-SD 3.45Å; L102-M154 HydrophobicContact CD2-SD 4.17Å; L102-M154 HydrophobicContact CG-SD 4.44Å; I151-M154 WeakPolarHBondContact O-CB 3.38Å; I151-M154 PolarHBondContact O-N 2.98Å; I151-M154 VanDerWaalsContact O-N 3.12Å; Q152-M154 VanDerWaalsContact C-N 3.28Å; Q152-M154 PolarHBondContact O-N 2.92Å; M154-L156 VanDerWaalsContact C-N 3.28Å; M154-L156 PolarHBondContact O-N 3.11Å; M154-A157 PolarHBondContact O-N 2.84Å; M154-V158 HydrophobicContact CE-CG2 4.2Å; M154-V158 HydrophobicContact CG-CG2 4.49Å; M154-V158 VanDerWaalsContact O-CG2 3.31Å; M154-V158 WeakPolarHBondContact O-CG2 3.29Å; M154-V158 PolarHBondContact O-N 3.23Å
155A84.4Confident83.5Confident40 Ų4049 Ų4933%0.33127%0.267SS..Hα-helixtrans-61.5-36.6178.400000112.1I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.44Å; I151-A155 WeakPolarHBondContact O-CB 3.17Å; I151-A155 PolarHBondContact O-N 3.47Å; Q152-A155 PolarHBondContact O-N 2.68Å; A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.46Å; A155-R159 PolarHBondContact O-N 3.36Å
156L79.3Confident83.7Confident7 Ų748.5 Ų48.54%0.03727%0.274CS..Hα-helixtrans-62.7-48.2175-163.687.2000111.9Q152 M154 R159 L160 F214 L217 V218Q152-L156 WeakPolarHBondContact O-CB 3.49Å; Q152-L156 PolarHBondContact O-N 2.89Å; M154-L156 VanDerWaalsContact C-N 3.28Å; M154-L156 PolarHBondContact O-N 3.11Å; L156-R159 PolarHBondContact O-N 3.43Å; L156-L160 PolarHBondContact O-N 3.44Å; L156-F214 HydrophobicContact CD1-CD2 4.3Å; L156-F214 HydrophobicContact CD2-CD1 4.18Å; L156-F214 HydrophobicContact CD2-CD2 3.26Å; L156-F214 HydrophobicContact CD2-CE1 4.07Å; L156-F214 HydrophobicContact CD2-CE2 3.13Å; L156-F214 HydrophobicContact CD2-CG 3.79Å; L156-F214 HydrophobicContact CD2-CZ 3.57Å; L156-F214 HydrophobicContact CG-CD2 3.46Å; L156-F214 VanDerWaalsContact CG-CD2 3.46Å; L156-F214 HydrophobicContact CG-CE2 3.68Å; L156-F214 HydrophobicContact CG-CG 4.2Å; L156-L217 HydrophobicContact CD1-CB 3.91Å; L156-L217 HydrophobicContact CD1-CD1 3.32Å; L156-L217 HydrophobicContact CD1-CG 4.24Å; L156-V218 HydrophobicContact CD2-CG2 4.41Å
157A82.6Confident84Confident0 Ų046.4 Ų46.40%026%0.262CS..Hα-helixtrans-64-44.6179.300000111.7L98 N101 L102 A105 P153 M154 L160 T161L98-A157 HydrophobicContact CD1-CB 4.36Å; N101-A157 HydrophobicContact CB-CB 3.91Å; N101-A157 PolarHBondContact ND2-O 3.39Å; L102-A157 HydrophobicContact CB-CB 4.49Å; L102-A157 HydrophobicContact CD1-CB 4.09Å; A105-A157 HydrophobicContact CB-CB 4.25Å; P153-A157 PolarHBondContact O-N 3.41Å; M154-A157 PolarHBondContact O-N 2.84Å; A157-L160 PolarHBondContact O-N 3.44Å; A157-T161 PolarHBondContact O-N 2.84Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 2.78Å
158V86.3Confident84.1Confident61 Ų6143.9 Ų43.937%0.3725%0.249SC..Hα-helixtrans-64.2-39.2177.61730000111.5L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.88Å; M154-V158 HydrophobicContact CE-CG2 4.2Å; M154-V158 HydrophobicContact CG-CG2 4.49Å; M154-V158 VanDerWaalsContact O-CG2 3.31Å; M154-V158 WeakPolarHBondContact O-CG2 3.29Å; M154-V158 PolarHBondContact O-N 3.23Å; V158-L160 VanDerWaalsContact C-N 3.27Å; V158-L160 PolarHBondContact O-N 3.05Å; V158-T161 WeakPolarHBondContact CA-OG1 3.06Å; V158-T161 PolarHBondContact O-N 2.89Å; V158-T161 PolarHBondContact O-OG1 3.05Å; V158-A162 WeakPolarHBondContact O-CB 3.17Å; V158-A162 PolarHBondContact O-N 3.4Å
159R86.4Confident84.3Confident101 Ų10143.5 Ų43.538%0.38124%0.242SC..Hα-helixtrans-59.6-41177-170.1-173.6-59.4154.72.9111.4A155 L156 N163 Q210A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.46Å; A155-R159 PolarHBondContact O-N 3.36Å; L156-R159 PolarHBondContact O-N 3.43Å; R159-N163 VanDerWaalsContact O-CG 3.28Å; R159-N163 PolarHBondContact O-N 2.94Å; R159-N163 PolarHBondContact O-ND2 3.49Å; R159-Q210 VanDerWaalsContact C-NE2 3.32Å
160L81.4Confident84.7Confident2 Ų245.1 Ų45.11%0.0125%0.251CS..Hα-helixtrans-71.6-42.5-178.2-160.6134.4000111.6I79 T95 N101 L156 A157 V158 I164 Q210 F214I79-L160 HydrophobicContact CG2-CD1 3.64Å; T95-L160 HydrophobicContact CG2-CD2 3.95Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.3Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.45Å; L156-L160 PolarHBondContact O-N 3.44Å; A157-L160 PolarHBondContact O-N 3.44Å; V158-L160 VanDerWaalsContact C-N 3.27Å; V158-L160 PolarHBondContact O-N 3.05Å; L160-I164 HydrophobicContact CD2-CD1 3.8Å; L160-I164 HydrophobicContact CG-CD1 4.22Å; L160-I164 WeakPolarHBondContact O-CG1 3.43Å; L160-I164 PolarHBondContact O-N 3.49Å; L160-Q210 HydrophobicContact CB-CG 4.15Å; L160-Q210 HydrophobicContact CD1-CG 3.66Å; L160-Q210 HydrophobicContact CG-CG 3.76Å; L160-Q210 VanDerWaalsContact N-NE2 3.1Å; L160-F214 HydrophobicContact CD1-CD2 4.14Å
161T84.6Confident85.1Confident14 Ų1441.5 Ų41.59%0.08623%0.231CC..Hα-helixtrans-64.9-46.9174.749.30000112T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.35Å; L98-T161 VanDerWaalsContact CA-CG2 3.45Å; L98-T161 HydrophobicContact CB-CG2 4.03Å; L98-T161 HydrophobicContact CD1-CG2 4.02Å; N101-T161 HydrophobicContact CB-CG2 4.37Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.23Å; N101-T161 PolarHBondContact ND2-N 3.12Å; A157-T161 PolarHBondContact O-N 2.84Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 2.78Å; V158-T161 WeakPolarHBondContact CA-OG1 3.06Å; V158-T161 PolarHBondContact O-N 2.89Å; V158-T161 PolarHBondContact O-OG1 3.05Å; T161-N163 PolarHBondContact O-N 2.59Å; T161-I164 PolarHBondContact O-N 3.29Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.01Å; T161-T165 WeakPolarHBondContact O-CG2 3.34Å; T161-T165 PolarHBondContact O-N 2.86Å; T161-T165 PolarHBondContact O-OG1 3.03Å
162A84.6Confident85.3Confident41 Ų4141 Ų4134%0.33923%0.227SC..Hα-helixtrans-62.6-45.2-172.700000111.2V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.17Å; V158-A162 PolarHBondContact O-N 3.4Å; A162-T165 WeakPolarHBondContact CA-OG1 3.26Å; A162-T165 PolarHBondContact O-OG1 3.4Å; A162-T165 VanDerWaalsContact O-OG1 3.11Å; A162-A166 WeakPolarHBondContact O-CB 3.45Å; A162-A166 PolarHBondContact O-N 3.38Å
163N87.8Confident85.7Confident59 Ų5941.9 Ų41.932%0.31623%0.233SC..Hα-helixtrans-63-49-179.9-69.3-6000111.5R159 T161 G167 V206R159-N163 VanDerWaalsContact O-CG 3.28Å; R159-N163 PolarHBondContact O-N 2.94Å; R159-N163 PolarHBondContact O-ND2 3.49Å; T161-N163 PolarHBondContact O-N 2.59Å; N163-G167 PolarHBondContact O-N 2.96Å; N163-V206 HydrophobicContact CB-CG1 4.06Å
164I85Confident86.3Confident5 Ų543 Ų433%0.02624%0.238CC..Hα-helixtrans-70.2-41.5-176.2-59.4172.1000111.3N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.32Å; N83-I164 VanDerWaalsContact CG-CD1 3.44Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.42Å; T93-I164 HydrophobicContact CG2-CG2 4.31Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.37Å; T96-I164 HydrophobicContact CG2-CB 4.35Å; T96-I164 HydrophobicContact CG2-CG2 3.66Å; L160-I164 HydrophobicContact CD2-CD1 3.8Å; L160-I164 HydrophobicContact CG-CD1 4.22Å; L160-I164 WeakPolarHBondContact O-CG1 3.43Å; L160-I164 PolarHBondContact O-N 3.49Å; T161-I164 PolarHBondContact O-N 3.29Å; I164-H168 WeakPolarHBondContact O-CB 3.34Å; I164-H168 PolarHBondContact O-CD2 3.37Å; I164-H168 PolarHBondContact O-N 3.23Å
165T87.3Confident86.6Confident36 Ų3640.3 Ų40.322%0.22123%0.231CC..Hα-helixtrans-64.8-46.9176.7540000111.7F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.44Å; F9-T165 HydrophobicContact CE1-CG2 4.12Å; T96-T165 HydrophobicContact CG2-CG2 3.75Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.01Å; T161-T165 WeakPolarHBondContact O-CG2 3.34Å; T161-T165 PolarHBondContact O-N 2.86Å; T161-T165 PolarHBondContact O-OG1 3.03Å; A162-T165 WeakPolarHBondContact CA-OG1 3.26Å; A162-T165 PolarHBondContact O-OG1 3.4Å; A162-T165 VanDerWaalsContact O-OG1 3.11Å; T165-H168 PolarHBondContact O-N 2.92Å; T165-L169 WeakPolarHBondContact O-CB 3.24Å; T165-L169 WeakPolarHBondContact O-CG 3.29Å; T165-L169 PolarHBondContact O-N 3.42Å
166A87Confident86.8Confident54 Ų5441.1 Ų41.145%0.44624%0.235SC..Hα-helixtrans-64.2-43.7178.800000111.5A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.45Å; A162-A166 PolarHBondContact O-N 3.38Å; A166-L169 PolarHBondContact O-N 2.83Å; A166-L170 VanDerWaalsContact O-CB 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.43Å; A166-L170 PolarHBondContact O-N 3.24Å
167G87.6Confident87.2Confident5 Ų542.7 Ų42.75%0.05225%0.249CC..Hα-helixtrans-58.2-48.2176.100000112.5N163 L170 M171 E203N163-G167 PolarHBondContact O-N 2.96Å; G167-L170 PolarHBondContact O-N 3.42Å; G167-M171 WeakPolarHBondContact O-CB 3.27Å; G167-M171 WeakPolarHBondContact O-CG 3.27Å; G167-M171 PolarHBondContact O-N 2.93Å; G167-E203 WeakPolarHBondContact CA-OE2 3.29Å
168H87.8Confident87.6Confident32 Ų3243.6 Ų43.615%0.14825%0.254CS..Hα-helixtrans-62.5-43.4176-92.3-90.5000113.4F9 G86 I164 T165 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.18Å; F9-H168 HydrophobicContact CZ-CB 3.89Å; G86-H168 PolarHBondContact O-CE1 3.07Å; G86-H168 PolarHBondContact O-NE2 3.42Å; I164-H168 WeakPolarHBondContact O-CB 3.34Å; I164-H168 PolarHBondContact O-CD2 3.37Å; I164-H168 PolarHBondContact O-N 3.23Å; T165-H168 PolarHBondContact O-N 2.92Å; H168-L170 VanDerWaalsContact C-N 3.34Å; H168-M171 PolarHBondContact O-N 3.12Å; H168-H172 WeakPolarHBondContact O-CB 3.41Å; H168-H172 PolarHBondContact O-N 3.16Å
169L87.8Confident87.7Confident42 Ų4246.7 Ų46.722%0.2227%0.268CS..Hα-helixtrans-62.3-42.6175.9-77.7170.4000111.3F6 F9 T165 A166 H172 L173F6-L169 HydrophobicContact CD1-CD2 4.45Å; F6-L169 HydrophobicContact CE1-CD1 4.12Å; F6-L169 HydrophobicContact CE1-CD2 4.1Å; F9-L169 HydrophobicContact CE2-CD1 4.44Å; F9-L169 HydrophobicContact CE2-CD2 3.71Å; F9-L169 HydrophobicContact CE2-CG 3.79Å; F9-L169 HydrophobicContact CZ-CD2 4.33Å; F9-L169 HydrophobicContact CZ-CG 3.94Å; T165-L169 WeakPolarHBondContact O-CB 3.24Å; T165-L169 WeakPolarHBondContact O-CG 3.29Å; T165-L169 PolarHBondContact O-N 3.42Å; A166-L169 PolarHBondContact O-N 2.83Å; L169-H172 PolarHBondContact O-N 3.05Å; L169-L173 WeakPolarHBondContact O-CB 3.46Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.47Å; L169-L173 PolarHBondContact O-N 2.82Å
170L89.8Confident87.8Confident79 Ų7944.1 Ų44.141%0.41427%0.268SS..Hα-helixtrans-67.6-42.5-179.1-154.5155.6000111.1A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.43Å; A166-L170 PolarHBondContact O-N 3.24Å; G167-L170 PolarHBondContact O-N 3.42Å; H168-L170 VanDerWaalsContact C-N 3.34Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 2.99Å; L170-L173 PolarHBondContact O-N 3.02Å; L170-I174 HydrophobicContact CD2-CD1 3.46Å; L170-I174 VanDerWaalsContact CD2-CD1 3.46Å; L170-I174 HydrophobicContact CD2-CG1 4.04Å; L170-I174 WeakPolarHBondContact O-CG1 3.28Å; L170-I174 PolarHBondContact O-N 3.37Å; L170-L199 HydrophobicContact CB-CD2 4.33Å; L170-L199 HydrophobicContact CD2-CD1 3.72Å; L170-L199 HydrophobicContact CD2-CD2 3.23Å; L170-L199 HydrophobicContact CD2-CG 4.09Å; L170-L199 HydrophobicContact CG-CD2 4.35Å
171M90.3Very high88.1Confident31 Ų3147 Ų4715%0.15328%0.282CS..Hα-helixtrans-59.3-42.8172.3-74.9-172.7-69.100111.8L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 4.02Å; G167-M171 WeakPolarHBondContact O-CB 3.27Å; G167-M171 WeakPolarHBondContact O-CG 3.27Å; G167-M171 PolarHBondContact O-N 2.93Å; H168-M171 PolarHBondContact O-N 3.12Å; M171-G175 PolarHBondContact O-N 3.49Å; M171-L199 HydrophobicContact CB-CD2 4.3Å; M171-L199 HydrophobicContact CG-CD2 3.55Å; M171-L199 HydrophobicContact CG-CG 4.14Å; M171-T200 HydrophobicContact SD-CG2 3.94Å; M171-E203 HydrophobicContact CE-CG 4.15Å
172H88.9Confident88.2Confident90 Ų9049.4 Ų49.442%0.41730%0.3SS..Hα-helixtrans-68.1-41.5178.5-169.6-62.6000112.2L5 H168 L169 L170 G175 S176L5-H172 VanDerWaalsContact CD2-CE1 3.43Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.25Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.39Å; H168-H172 WeakPolarHBondContact O-CB 3.41Å; H168-H172 PolarHBondContact O-N 3.16Å; L169-H172 PolarHBondContact O-N 3.05Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 2.99Å; H172-G175 PolarHBondContact O-N 2.97Å; H172-S176 PolarHBondContact O-N 2.99Å; H172-S176 PolarHBondContact O-OG 2.87Å
173L89.8Confident88.3Confident90 Ų9053.1 Ų53.147%0.47132%0.318SS..Hα-helixtrans-63.6-48.6178.1-74.9171.3000111.1L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 4.14Å; L5-L173 HydrophobicContact CD2-CD2 4.35Å; L169-L173 WeakPolarHBondContact O-CB 3.46Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.47Å; L169-L173 PolarHBondContact O-N 2.82Å; L170-L173 PolarHBondContact O-N 3.02Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.05Å; L173-S176 PolarHBondContact O-N 3.27Å; L173-S176 PolarHBondContact O-OG 3.25Å; L173-A177 PolarHBondContact O-N 3.18Å
174I90.9Very high88.3Confident33 Ų3355.4 Ų55.417%0.16933%0.33CS..Hα-helixtrans-64-40.6176.4-64.7-173.4000110.6L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.46Å; L170-I174 VanDerWaalsContact CD2-CD1 3.46Å; L170-I174 HydrophobicContact CD2-CG1 4.04Å; L170-I174 WeakPolarHBondContact O-CG1 3.28Å; L170-I174 PolarHBondContact O-N 3.37Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.24Å; I174-A177 CarbonylContact O-C 3.6Å; I174-A177 WeakPolarHBondContact O-CB 3.27Å; I174-A177 PolarHBondContact O-N 3.02Å; I174-A177 VanDerWaalsContact O-N 3.14Å; I174-T178 HydrophobicContact CG2-CG2 4.34Å; I174-T178 WeakPolarHBondContact O-CG2 3.48Å; I174-T178 PolarHBondContact O-N 3.33Å; I174-T178 PolarHBondContact O-OG1 3.25Å; I174-I192 HydrophobicContact CG2-CG2 3.8Å; I174-I195 HydrophobicContact CD1-CG2 4.08Å; I174-L196 HydrophobicContact CB-CD1 4.22Å; I174-L196 HydrophobicContact CG2-CB 3.93Å; I174-L196 HydrophobicContact CG2-CD1 4Å; I174-L199 HydrophobicContact CD1-CD2 4.14Å
175G89.6Confident88.5Confident24 Ų2459.7 Ų59.725%0.24735%0.352CS..Hα-helixtrans-61.3-37.2175.100000113.6M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 3.49Å; H172-G175 PolarHBondContact O-N 2.97Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.05Å; G175-T178 WeakPolarHBondContact CA-OG1 3.45Å; G175-T178 PolarHBondContact O-OG1 3.28Å; G175-L179 WeakPolarHBondContact O-CB 3.31Å; G175-L179 PolarHBondContact O-N 2.96Å
176S88.6Confident88.4Confident58 Ų5864.9 Ų64.941%0.40638%0.378SS..Hα-helixtrans-70.2-35.5173.671.50000112.2H172 L173 I174 L179 A180H172-S176 PolarHBondContact O-N 2.99Å; H172-S176 PolarHBondContact O-OG 2.87Å; L173-S176 PolarHBondContact O-N 3.27Å; L173-S176 PolarHBondContact O-OG 3.25Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.24Å; S176-L179 PolarHBondContact O-N 3.43Å; S176-A180 WeakPolarHBondContact O-CB 3.49Å; S176-A180 PolarHBondContact O-N 2.99Å
177A87.9Confident88.5Confident40 Ų4066.8 Ų66.833%0.33139%0.386SS..Hα-helixtrans-69.1-41.1176.300000112.1L173 I174 L179 A180 M181L173-A177 PolarHBondContact O-N 3.18Å; I174-A177 CarbonylContact O-C 3.6Å; I174-A177 WeakPolarHBondContact O-CB 3.27Å; I174-A177 PolarHBondContact O-N 3.02Å; I174-A177 VanDerWaalsContact O-N 3.14Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 3.32Å; A177-A180 PolarHBondContact O-N 3.45Å; A177-M181 WeakPolarHBondContact O-CB 3.43Å; A177-M181 WeakPolarHBondContact O-CG 3.13Å; A177-M181 PolarHBondContact O-N 3.06Å
178T90Very high88.5Confident18 Ų1868.4 Ų68.411%0.1140%0.396CS..Hα-helixtrans-61.1-42.7174.555.70000110.9I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.34Å; I174-T178 WeakPolarHBondContact O-CG2 3.48Å; I174-T178 PolarHBondContact O-N 3.33Å; I174-T178 PolarHBondContact O-OG1 3.25Å; G175-T178 WeakPolarHBondContact CA-OG1 3.45Å; G175-T178 PolarHBondContact O-OG1 3.28Å; T178-M181 PolarHBondContact O-N 2.95Å; T178-S182 WeakPolarHBondContact O-CB 3.44Å; T178-S182 PolarHBondContact O-N 3.46Å; T178-I192 HydrophobicContact CG2-CB 3.87Å; T178-I192 HydrophobicContact CG2-CG2 3.36Å
179L89.3Confident88.6Confident126 Ų12668 Ų6866%0.6640%0.396SS*.Hα-helixtrans-66.3-41.5179.1-165.7148.7000111.6G175 S176 A177 S182G175-L179 WeakPolarHBondContact O-CB 3.31Å; G175-L179 PolarHBondContact O-N 2.96Å; S176-L179 PolarHBondContact O-N 3.43Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 3.32Å; L179-S182 PolarHBondContact O-N 3.49Å; L179-S182 PolarHBondContact O-OG 2.98Å
180A88.4Confident88.8Confident47 Ų4771.7 Ų71.739%0.38842%0.416SS..Hα-helixtrans-63.6-46173.900000112.3S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.49Å; S176-A180 PolarHBondContact O-N 2.99Å; A177-A180 PolarHBondContact O-N 3.45Å; A180-S182 VanDerWaalsContact C-N 3.28Å; A180-S182 PolarHBondContact O-N 2.85Å; A180-T183 PolarHBondContact O-N 3.45Å; A180-T183 PolarHBondContact O-OG1 2.87Å
181M87Confident88.9Confident63 Ų6373 Ų7331%0.3142%0.422SS..Hα-helixtrans-69-24.9-179.1-68.3-64112.600113.3A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.43Å; A177-M181 WeakPolarHBondContact O-CG 3.13Å; A177-M181 PolarHBondContact O-N 3.06Å; T178-M181 PolarHBondContact O-N 2.95Å; M181-T183 PolarHBondContact O-N 3.4Å; M181-T183 VanDerWaalsContact O-N 3.16Å; M181-I184 HydrophobicContact CE-CD1 3.59Å; M181-I184 PolarHBondContact O-N 3.38Å; M181-I184 HydrophobicContact SD-CD1 4.19Å; M181-N185 PolarHBondContact O-N 3.36Å; M181-T189 PolarHBondContact O-OG1 3.33Å; M181-T189 VanDerWaalsContact O-OG1 3.12Å; M181-I192 HydrophobicContact CB-CD1 4.2Å; M181-I192 HydrophobicContact CG-CD1 3.67Å
182S87.1Confident89Confident65 Ų6573.5 Ų73.546%0.45543%0.425SS..Hα-helixtrans-57.2-29.9176.677.10000112.9T178 L179 A180 T189T178-S182 WeakPolarHBondContact O-CB 3.44Å; T178-S182 PolarHBondContact O-N 3.46Å; L179-S182 PolarHBondContact O-N 3.49Å; L179-S182 PolarHBondContact O-OG 2.98Å; A180-S182 VanDerWaalsContact C-N 3.28Å; A180-S182 PolarHBondContact O-N 2.85Å; S182-T189 VanDerWaalsContact CA-OG1 3.3Å; S182-T189 WeakPolarHBondContact CA-OG1 3.31Å; S182-T189 PolarHBondContact N-OG1 2.91Å
183T87.3Confident89.2Confident119 Ų11974.1 Ų74.173%0.7343%0.427SS*.THydrogen-bonded Turntrans-81.2-19.7179.166.30000113.6A180 M181A180-T183 PolarHBondContact O-N 3.45Å; A180-T183 PolarHBondContact O-OG1 2.87Å; M181-T183 PolarHBondContact O-N 3.4Å; M181-T183 VanDerWaalsContact O-N 3.16Å
184I87.6Confident89.3Confident107 Ų10773.5 Ų73.555%0.54943%0.427SS..THydrogen-bonded Turntrans-99-60-172.9-58.3168000110.3M181M181-I184 HydrophobicContact CE-CD1 3.59Å; M181-I184 PolarHBondContact O-N 3.38Å; M181-I184 HydrophobicContact SD-CD1 4.19Å
185N87.9Confident89.5Confident94 Ų9475.9 Ų75.950%0.50344%0.439SS..  trans-147.2117.6-172.1-83.2-24.1000112M181 S188 T189M181-N185 PolarHBondContact O-N 3.36Å; N185-S188 WeakPolarHBondContact CB-OG 3.18Å; N185-S188 PolarHBondContact O-N 3.31Å; N185-S188 PolarHBondContact O-OG 3.17Å; N185-T189 PolarHBondContact O-N 2.85Å; N185-T189 PolarHBondContact O-OG1 2.89Å
186L86.8Confident89.7Confident145 Ų14576.2 Ų76.276%0.75944%0.435SS*.Hα-helixtrans-56.9-46.5177.4-161.185.4000114.6S188 T189 L190L186-S188 PolarHBondContact O-N 2.98Å; L186-T189 WeakPolarHBondContact O-CB 3.46Å; L186-T189 PolarHBondContact O-N 3.22Å; L186-L190 PolarHBondContact O-N 3.36Å
187P88.5Confident89.9Confident94 Ų9477.1 Ų77.161%0.6143%0.434SS*.Hα-helixtrans-67.7-36.4-175.925.1-33.3000112.5T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.31Å; P187-T189 PolarHBondContact O-N 2.88Å; P187-L190 PolarHBondContact O-N 3.14Å; P187-I191 PolarHBondContact O-N 2.92Å
188S86.7Confident90.2Very high39 Ų3980.9 Ų80.927%0.27345%0.448SS..Hα-helixtrans-66.3-35175.6690000112.3N185 L186 L190 I191 I192N185-S188 WeakPolarHBondContact CB-OG 3.18Å; N185-S188 PolarHBondContact O-N 3.31Å; N185-S188 PolarHBondContact O-OG 3.17Å; L186-S188 PolarHBondContact O-N 2.98Å; S188-L190 VanDerWaalsContact C-N 3.33Å; S188-L190 PolarHBondContact O-N 3.24Å; S188-I191 PolarHBondContact O-N 3.35Å; S188-I192 WeakPolarHBondContact O-CG1 3.27Å; S188-I192 PolarHBondContact O-N 3.49Å
189T91.3Very high90.3Very high23 Ų2381.1 Ų81.114%0.14145%0.449CS..Hα-helixtrans-63.9-40.5176.9-57.70000111.2M181 S182 N185 L186 P187 I191 I192 F193M181-T189 PolarHBondContact O-OG1 3.33Å; M181-T189 VanDerWaalsContact O-OG1 3.12Å; S182-T189 VanDerWaalsContact CA-OG1 3.3Å; S182-T189 WeakPolarHBondContact CA-OG1 3.31Å; S182-T189 PolarHBondContact N-OG1 2.91Å; N185-T189 PolarHBondContact O-N 2.85Å; N185-T189 PolarHBondContact O-OG1 2.89Å; L186-T189 WeakPolarHBondContact O-CB 3.46Å; L186-T189 PolarHBondContact O-N 3.22Å; P187-T189 VanDerWaalsContact C-N 3.31Å; P187-T189 PolarHBondContact O-N 2.88Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.31Å; T189-I192 PolarHBondContact O-N 2.85Å; T189-F193 VanDerWaalsContact O-CB 3.27Å; T189-F193 WeakPolarHBondContact O-CB 3.47Å; T189-F193 PolarHBondContact O-N 3Å
190L90.8Very high90.4Very high121 Ų12177.6 Ų77.663%0.63443%0.432SS*.Hα-helixtrans-60-42.1177.7-161.686.2000111.5L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 3.36Å; P187-L190 PolarHBondContact O-N 3.14Å; S188-L190 VanDerWaalsContact C-N 3.33Å; S188-L190 PolarHBondContact O-N 3.24Å; L190-F193 PolarHBondContact O-N 3.05Å; L190-T194 WeakPolarHBondContact O-CG2 3.47Å; L190-T194 PolarHBondContact O-N 3.09Å
191I92.6Very high90.6Very high105 Ų10580.2 Ų80.254%0.53844%0.439SS..Hα-helixtrans-64.9-44.5179.1-62165.8000111.1P187 S188 T189 F193 T194 I195P187-I191 PolarHBondContact O-N 2.92Å; S188-I191 PolarHBondContact O-N 3.35Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.31Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 2.95Å; I191-T194 PolarHBondContact O-N 3.47Å; I191-T194 PolarHBondContact O-OG1 3.41Å; I191-I195 HydrophobicContact CG2-CD1 4.36Å; I191-I195 WeakPolarHBondContact O-CG1 3.38Å; I191-I195 PolarHBondContact O-N 3.24Å
192I92.9Very high90.9Very high43 Ų4382 Ų8222%0.22145%0.449CS..Hα-helixtrans-70.3-33.4179.7-56.4168.3000110.3I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.8Å; T178-I192 HydrophobicContact CG2-CB 3.87Å; T178-I192 HydrophobicContact CG2-CG2 3.36Å; M181-I192 HydrophobicContact CB-CD1 4.2Å; M181-I192 HydrophobicContact CG-CD1 3.67Å; S188-I192 WeakPolarHBondContact O-CG1 3.27Å; S188-I192 PolarHBondContact O-N 3.49Å; T189-I192 PolarHBondContact O-N 2.85Å; I192-I195 WeakPolarHBondContact O-CB 3.38Å; I192-I195 PolarHBondContact O-N 2.88Å; I192-L196 PolarHBondContact O-N 2.88Å
193F91.9Very high91Very high103 Ų10379.4 Ų79.445%0.45243%0.43SS..Hα-helixtrans-66.5-38.9175.6-173.3-106000112.7T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.27Å; T189-F193 WeakPolarHBondContact O-CB 3.47Å; T189-F193 PolarHBondContact O-N 3Å; L190-F193 PolarHBondContact O-N 3.05Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 2.95Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 2.95Å; F193-L196 HydrophobicContact CD2-CD2 4.42Å; F193-L196 WeakPolarHBondContact O-CB 3.43Å; F193-L196 PolarHBondContact O-N 2.98Å; F193-I197 HydrophobicContact CD1-CD1 3.86Å; F193-I197 HydrophobicContact CE1-CD1 3.52Å; F193-I197 HydrophobicContact CE1-CG1 4.26Å; F193-I197 HydrophobicContact CZ-CD1 4.14Å; F193-I197 HydrophobicContact CZ-CG1 4.47Å; F193-I197 PolarHBondContact O-N 3.44Å
194T93.2Very high91.2Very high77 Ų7777.9 Ų77.947%0.47242%0.416SS..Hα-helixtrans-64.7-37.3173.457.10000111.7L190 I191 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.47Å; L190-T194 PolarHBondContact O-N 3.09Å; I191-T194 PolarHBondContact O-N 3.47Å; I191-T194 PolarHBondContact O-OG1 3.41Å; T194-I197 PolarHBondContact O-N 3.05Å; T194-L198 PolarHBondContact O-N 3.18Å
195I94.3Very high91.4Very high83 Ų8375 Ų7543%0.42641%0.408SS..Hα-helixtrans-62.2-42.5172.9-65.4166.9000110.9I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.08Å; I191-I195 HydrophobicContact CG2-CD1 4.36Å; I191-I195 WeakPolarHBondContact O-CG1 3.38Å; I191-I195 PolarHBondContact O-N 3.24Å; I192-I195 WeakPolarHBondContact O-CB 3.38Å; I192-I195 PolarHBondContact O-N 2.88Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 2.95Å; I195-I197 PolarHBondContact O-N 3.35Å; I195-L198 PolarHBondContact O-N 2.89Å; I195-L199 WeakPolarHBondContact O-CB 3.33Å; I195-L199 PolarHBondContact O-N 3.39Å
196L93.2Very high91.5Very high31 Ų3172.3 Ų72.316%0.16240%0.395CS..Hα-helixtrans-59.2-46176.3-178.365.9000111.4I174 I192 F193 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.22Å; I174-L196 HydrophobicContact CG2-CB 3.93Å; I174-L196 HydrophobicContact CG2-CD1 4Å; I192-L196 PolarHBondContact O-N 2.88Å; F193-L196 HydrophobicContact CD2-CD2 4.42Å; F193-L196 WeakPolarHBondContact O-CB 3.43Å; F193-L196 PolarHBondContact O-N 2.98Å; L196-L198 PolarHBondContact O-N 3.47Å; L196-L199 WeakPolarHBondContact O-CB 3.29Å; L196-L199 PolarHBondContact O-N 3.46Å; L196-T200 WeakPolarHBondContact O-CG2 3.43Å; L196-T200 PolarHBondContact O-N 3.29Å
197I92.5Very high91.6Very high76 Ų7665.6 Ų65.639%0.3936%0.361SS..Hα-helixtrans-59.8-47.7176.7-67.5165.7000110.5F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.86Å; F193-I197 HydrophobicContact CE1-CD1 3.52Å; F193-I197 HydrophobicContact CE1-CG1 4.26Å; F193-I197 HydrophobicContact CZ-CD1 4.14Å; F193-I197 HydrophobicContact CZ-CG1 4.47Å; F193-I197 PolarHBondContact O-N 3.44Å; T194-I197 PolarHBondContact O-N 3.05Å; I195-I197 PolarHBondContact O-N 3.35Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.38Å; I197-T200 PolarHBondContact O-N 3.16Å; I197-T200 VanDerWaalsContact O-N 3.12Å; I197-T200 PolarHBondContact O-OG1 3.46Å; I197-I201 HydrophobicContact CG2-CD1 4.12Å; I197-I201 WeakPolarHBondContact O-CG1 3.44Å; I197-I201 PolarHBondContact O-N 3.48Å; I197-I201 VanDerWaalsContact O-N 3.12Å
198L94.6Very high91.6Very high120 Ų12066.7 Ų66.763%0.62836%0.36SS*.Hα-helixtrans-59.5-41.2179.4-176.664.3000111.7T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 3.18Å; I195-L198 PolarHBondContact O-N 2.89Å; L196-L198 PolarHBondContact O-N 3.47Å; L198-I201 PolarHBondContact O-N 3.14Å; L198-L202 PolarHBondContact O-N 2.98Å
199L93.3Very high91.8Very high23 Ų2369.4 Ų69.412%0.1237%0.371CS..Hα-helixtrans-62.3-42.5175.5-178.572.8000112L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.33Å; L170-L199 HydrophobicContact CD2-CD1 3.72Å; L170-L199 HydrophobicContact CD2-CD2 3.23Å; L170-L199 HydrophobicContact CD2-CG 4.09Å; L170-L199 HydrophobicContact CG-CD2 4.35Å; M171-L199 HydrophobicContact CB-CD2 4.3Å; M171-L199 HydrophobicContact CG-CD2 3.55Å; M171-L199 HydrophobicContact CG-CG 4.14Å; I174-L199 HydrophobicContact CD1-CD2 4.14Å; I195-L199 WeakPolarHBondContact O-CB 3.33Å; I195-L199 PolarHBondContact O-N 3.39Å; L196-L199 WeakPolarHBondContact O-CB 3.29Å; L196-L199 PolarHBondContact O-N 3.46Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.38Å; L199-I201 VanDerWaalsContact C-N 3.28Å; L199-I201 PolarHBondContact O-N 3.31Å; L199-L202 HydrophobicContact CD1-CD2 4.48Å; L199-L202 WeakPolarHBondContact O-CB 3.28Å; L199-L202 PolarHBondContact O-N 2.87Å; L199-E203 PolarHBondContact O-N 3.43Å
200T91.1Very high91.7Very high51 Ų5168.8 Ų68.831%0.31337%0.367SS..Hα-helixtrans-62-38.1177.664.60000112.1M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.94Å; L196-T200 WeakPolarHBondContact O-CG2 3.43Å; L196-T200 PolarHBondContact O-N 3.29Å; I197-T200 PolarHBondContact O-N 3.16Å; I197-T200 VanDerWaalsContact O-N 3.12Å; I197-T200 PolarHBondContact O-OG1 3.46Å; T200-E203 PolarHBondContact O-N 3.12Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.49Å; T200-I204 PolarHBondContact O-N 3.45Å
201I92.6Very high91.6Very high102 Ų10263.1 Ų63.152%0.52334%0.337SS..Hα-helixtrans-65-43.3175.8-64.5167.6000110.4I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.12Å; I197-I201 WeakPolarHBondContact O-CG1 3.44Å; I197-I201 PolarHBondContact O-N 3.48Å; I197-I201 VanDerWaalsContact O-N 3.12Å; L198-I201 PolarHBondContact O-N 3.14Å; L199-I201 VanDerWaalsContact C-N 3.28Å; L199-I201 PolarHBondContact O-N 3.31Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 2.75Å; I201-I204 PolarHBondContact O-N 2.98Å; I201-A205 PolarHBondContact O-N 2.64Å; I201-A205 VanDerWaalsContact O-N 3.16Å
202L91.9Very high91.5Very high100 Ų10062.8 Ų62.852%0.52433%0.33SS..Hα-helixtrans-59.4-45.7175.7179.567.2000111L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 2.98Å; L199-L202 HydrophobicContact CD1-CD2 4.48Å; L199-L202 WeakPolarHBondContact O-CB 3.28Å; L199-L202 PolarHBondContact O-N 2.87Å; L202-I204 PolarHBondContact O-N 3.36Å; L202-A205 WeakPolarHBondContact O-CB 3.49Å; L202-A205 PolarHBondContact O-N 3.47Å; L202-A205 VanDerWaalsContact O-N 3.12Å; L202-V206 HydrophobicContact CD1-CG2 4.33Å; L202-V206 HydrophobicContact CG-CG2 4.31Å; L202-V206 WeakPolarHBondContact O-CG2 3.43Å; L202-V206 PolarHBondContact O-N 3.21Å
203E90.8Very high91.3Very high12 Ų1262.8 Ų62.86%0.05633%0.332CS..Hα-helixtrans-67.1-37.2-176.5-162.464-159.400112L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.42Å; L87-E203 HydrophobicContact CD2-CB 4.22Å; L87-E203 HydrophobicContact CD2-CG 3.41Å; L87-E203 VanDerWaalsContact CD2-CG 3.41Å; G167-E203 WeakPolarHBondContact CA-OE2 3.29Å; M171-E203 HydrophobicContact CE-CG 4.15Å; L199-E203 PolarHBondContact O-N 3.43Å; T200-E203 PolarHBondContact O-N 3.12Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 2.75Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.37Å; E203-V206 PolarHBondContact O-N 3.46Å; E203-A207 VanDerWaalsContact O-CB 3.31Å; E203-A207 WeakPolarHBondContact O-CB 3.27Å; E203-A207 PolarHBondContact O-N 2.94Å
204I90.7Very high91.1Very high87 Ų8758 Ų5845%0.44631%0.311SS..Hα-helixtrans-59.5-43171.7-67.2164.6000110.7L84 L87 T200 I201 L202 L208L84-I204 HydrophobicContact CD1-CG2 4.28Å; L87-I204 HydrophobicContact CD1-CB 4.19Å; L87-I204 HydrophobicContact CD1-CG1 3.61Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.49Å; T200-I204 PolarHBondContact O-N 3.45Å; I201-I204 PolarHBondContact O-N 2.98Å; L202-I204 PolarHBondContact O-N 3.36Å; I204-L208 PolarHBondContact O-N 2.82Å
205A91.4Very high90.8Very high45 Ų4554.4 Ų54.437%0.37229%0.288SS..Hα-helixtrans-65.7-45.7177.300000111.7I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 2.64Å; I201-A205 VanDerWaalsContact O-N 3.16Å; L202-A205 WeakPolarHBondContact O-CB 3.49Å; L202-A205 PolarHBondContact O-N 3.47Å; L202-A205 VanDerWaalsContact O-N 3.12Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.37Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.4Å; A205-L208 PolarHBondContact O-N 3.46Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.38Å; A205-I209 PolarHBondContact O-N 3.47Å
206V91.6Very high90.5Very high38 Ų3853.3 Ų53.323%0.2328%0.283CS..Hα-helixtrans-61.1-42.5178.1172.60000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.06Å; L202-V206 HydrophobicContact CD1-CG2 4.33Å; L202-V206 HydrophobicContact CG-CG2 4.31Å; L202-V206 WeakPolarHBondContact O-CG2 3.43Å; L202-V206 PolarHBondContact O-N 3.21Å; E203-V206 PolarHBondContact O-N 3.46Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.35Å; V206-I209 PolarHBondContact O-N 3.28Å; V206-Q210 WeakPolarHBondContact O-CB 3.49Å; V206-Q210 PolarHBondContact O-N 2.99Å
207A88.9Confident90.1Very high5 Ų553.5 Ų53.54%0.04128%0.284CS..Hα-helixtrans-57.5-42.2178.100000112.8N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.96Å; L87-A207 HydrophobicContact CD1-CB 4.05Å; E203-A207 VanDerWaalsContact O-CB 3.31Å; E203-A207 WeakPolarHBondContact O-CB 3.27Å; E203-A207 PolarHBondContact O-N 2.94Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.4Å; A207-A211 PolarHBondContact O-N 3.31Å
208L88.4Confident89.7Confident116 Ų11650.3 Ų50.361%0.60727%0.268SS*.Hα-helixtrans-75.1-43.8179.2-170.7145.7000112.1I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 2.82Å; A205-L208 PolarHBondContact O-N 3.46Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.35Å; L208-Q210 VanDerWaalsContact C-N 3.28Å; L208-Q210 PolarHBondContact O-N 3.48Å; L208-A211 PolarHBondContact O-N 2.69Å; L208-Y212 PolarHBondContact O-N 3.05Å
209I90.6Very high89.2Confident96 Ų9645 Ų4549%0.49224%0.241SC..Hα-helixtrans-61-41177.3-68.8166.4000110.3A205 V206 A211 Y212 V213A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.38Å; A205-I209 PolarHBondContact O-N 3.47Å; V206-I209 PolarHBondContact O-N 3.28Å; I209-A211 PolarHBondContact O-N 3.12Å; I209-Y212 WeakPolarHBondContact O-CB 3.43Å; I209-Y212 PolarHBondContact O-N 3.01Å; I209-Y212 VanDerWaalsContact O-N 3.17Å; I209-V213 HydrophobicContact CG2-CG2 4.03Å; I209-V213 WeakPolarHBondContact O-CG2 3.47Å; I209-V213 PolarHBondContact O-N 3.02Å
210Q88.8Confident88.7Confident11 Ų1147.6 Ų47.65%0.05126%0.255CS..Hα-helixtrans-65.6-38.1-177.8-174.762.58.400112.3R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.32Å; L160-Q210 HydrophobicContact CB-CG 4.15Å; L160-Q210 HydrophobicContact CD1-CG 3.66Å; L160-Q210 HydrophobicContact CG-CG 3.76Å; L160-Q210 VanDerWaalsContact N-NE2 3.1Å; V206-Q210 WeakPolarHBondContact O-CB 3.49Å; V206-Q210 PolarHBondContact O-N 2.99Å; L208-Q210 VanDerWaalsContact C-N 3.28Å; L208-Q210 PolarHBondContact O-N 3.48Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Q210-F214 VanDerWaalsContact O-CB 3.31Å; Q210-F214 WeakPolarHBondContact O-CB 3.42Å; Q210-F214 PolarHBondContact O-N 3.12Å
211A89.1Confident88.2Confident1 Ų146.1 Ų46.11%0.00824%0.244CC..Hα-helixtrans-62.6-40.8172.800000112.1I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.49Å; I79-A211 HydrophobicContact CB-CB 4.05Å; I79-A211 HydrophobicContact CG2-CB 3.72Å; A80-A211 HydrophobicContact CB-CB 3.95Å; A207-A211 PolarHBondContact O-N 3.31Å; L208-A211 PolarHBondContact O-N 2.69Å; I209-A211 PolarHBondContact O-N 3.12Å; A211-T215 WeakPolarHBondContact O-CG2 3.41Å; A211-T215 PolarHBondContact O-N 2.94Å; A211-T215 PolarHBondContact O-OG1 3.35Å
212Y89.3Confident87.5Confident99 Ų9941.4 Ų41.439%0.38822%0.219SC..Hα-helixtrans-66.7-48.7176.6176.7-100.4000112.4M57 I76 L208 I209 Q210 F214 T215 L216M57-Y212 HydrophobicContact CE-CD2 4.34Å; M57-Y212 HydrophobicContact CE-CE2 4.43Å; I76-Y212 HydrophobicContact CD1-CD2 4.2Å; L208-Y212 PolarHBondContact O-N 3.05Å; I209-Y212 WeakPolarHBondContact O-CB 3.43Å; I209-Y212 PolarHBondContact O-N 3.01Å; 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 3.27Å; Y212-T215 PolarHBondContact O-N 2.91Å; Y212-T215 PolarHBondContact O-OG1 3.22Å; Y212-L216 HydrophobicContact CE1-CD1 3.66Å; Y212-L216 HydrophobicContact CE2-CD1 4.47Å; Y212-L216 VanDerWaalsContact O-CB 3.3Å; Y212-L216 WeakPolarHBondContact O-CB 3.35Å; Y212-L216 PolarHBondContact O-N 3.35Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.44Å
213V89.5Confident86.9Confident43 Ų4340.8 Ų40.826%0.26121%0.213SC..Hα-helixtrans-62.8-38.5179.1172.70000111.2I209 T215 L217I209-V213 HydrophobicContact CG2-CG2 4.03Å; I209-V213 WeakPolarHBondContact O-CG2 3.47Å; I209-V213 PolarHBondContact O-N 3.02Å; V213-T215 PolarHBondContact O-N 3Å; V213-L217 HydrophobicContact CG1-CD1 3.86Å; V213-L217 WeakPolarHBondContact O-CG 3.48Å; V213-L217 PolarHBondContact O-N 2.91Å
214F86.7Confident86.2Confident3 Ų343.7 Ų43.71%0.01323%0.229CC..Hα-helixtrans-57.2-51.7176.3-172.8-81.3000111.5L75 I79 A105 L108 L156 L160 Q210 Y212 V218L75-F214 HydrophobicContact CD1-CE1 4.06Å; L75-F214 HydrophobicContact CD2-CD1 3.92Å; L75-F214 HydrophobicContact CD2-CE1 3.78Å; L75-F214 HydrophobicContact CG-CD1 4.29Å; L75-F214 HydrophobicContact CG-CE1 4.17Å; I79-F214 HydrophobicContact CD1-CB 4.29Å; I79-F214 HydrophobicContact CD1-CD1 3.34Å; I79-F214 HydrophobicContact CD1-CD2 4.39Å; I79-F214 HydrophobicContact CD1-CE1 3.68Å; I79-F214 HydrophobicContact CD1-CG 3.77Å; I79-F214 HydrophobicContact CD1-CZ 4.34Å; A105-F214 HydrophobicContact CB-CE2 4.37Å; A105-F214 HydrophobicContact CB-CZ 4.17Å; L108-F214 HydrophobicContact CD1-CE1 4.09Å; L156-F214 HydrophobicContact CD1-CD2 4.3Å; L156-F214 HydrophobicContact CD2-CD1 4.18Å; L156-F214 HydrophobicContact CD2-CD2 3.26Å; L156-F214 HydrophobicContact CD2-CE1 4.07Å; L156-F214 HydrophobicContact CD2-CE2 3.13Å; L156-F214 HydrophobicContact CD2-CG 3.79Å; L156-F214 HydrophobicContact CD2-CZ 3.57Å; L156-F214 HydrophobicContact CG-CD2 3.46Å; L156-F214 VanDerWaalsContact CG-CD2 3.46Å; L156-F214 HydrophobicContact CG-CE2 3.68Å; L156-F214 HydrophobicContact CG-CG 4.2Å; L160-F214 HydrophobicContact CD1-CD2 4.14Å; Q210-F214 VanDerWaalsContact O-CB 3.31Å; Q210-F214 WeakPolarHBondContact O-CB 3.42Å; Q210-F214 PolarHBondContact O-N 3.12Å; Y212-F214 VanDerWaalsContact C-N 3.3Å; Y212-F214 PolarHBondContact O-N 3.27Å; F214-V218 HydrophobicContact CD1-CG2 4.43Å; F214-V218 HydrophobicContact CE1-CG2 4.24Å; F214-V218 WeakPolarHBondContact O-CG2 3.22Å; F214-V218 PolarHBondContact O-N 2.83Å
215T87.9Confident85.3Confident0 Ų041 Ų410%022%0.216CC..Hα-helixtrans-73.7-33.4-176.448.80000113.2M57 L75 I76 A211 Y212 V213 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.46Å; L75-T215 HydrophobicContact CB-CG2 4.07Å; L75-T215 HydrophobicContact CD2-CG2 3.57Å; L75-T215 HydrophobicContact CG-CG2 3.73Å; I76-T215 HydrophobicContact CB-CG2 3.54Å; I76-T215 HydrophobicContact CG1-CG2 4.22Å; A211-T215 WeakPolarHBondContact O-CG2 3.41Å; A211-T215 PolarHBondContact O-N 2.94Å; A211-T215 PolarHBondContact O-OG1 3.35Å; Y212-T215 PolarHBondContact O-N 2.91Å; Y212-T215 PolarHBondContact O-OG1 3.22Å; V213-T215 PolarHBondContact O-N 3Å; T215-V218 PolarHBondContact O-N 2.77Å; T215-S219 WeakPolarHBondContact O-CB 3.38Å; T215-S219 PolarHBondContact O-N 3.16Å
216L86.9Confident84.2Confident60 Ų6040.3 Ų40.331%0.31421%0.207SC..Hα-helixtrans-65.8-40.4173.9-175.5148.5000112.1Y212 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.66Å; Y212-L216 HydrophobicContact CE2-CD1 4.47Å; Y212-L216 VanDerWaalsContact O-CB 3.3Å; Y212-L216 WeakPolarHBondContact O-CB 3.35Å; Y212-L216 PolarHBondContact O-N 3.35Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.44Å; L216-S219 PolarHBondContact O-N 2.94Å; L216-S219 PolarHBondContact O-OG 3.35Å; L216-L220 WeakPolarHBondContact O-CB 3.33Å; L216-L220 PolarHBondContact O-N 2.88Å
217L85.5Confident83.8Confident36 Ų3640.5 Ų40.519%0.18821%0.206CC..Hα-helixtrans-66.1-41.9176.5-76.7165.9000111.3L156 V213 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 3.91Å; L156-L217 HydrophobicContact CD1-CD1 3.32Å; L156-L217 HydrophobicContact CD1-CG 4.24Å; V213-L217 HydrophobicContact CG1-CD1 3.86Å; V213-L217 WeakPolarHBondContact O-CG 3.48Å; V213-L217 PolarHBondContact O-N 2.91Å; L217-S219 VanDerWaalsContact C-N 3.3Å; L217-S219 PolarHBondContact O-N 3.12Å; L217-L220 PolarHBondContact O-N 3.47Å; L217-Y221 HydrophobicContact CB-CE2 4.17Å; L217-Y221 WeakPolarHBondContact O-CD2 3.45Å; L217-Y221 WeakPolarHBondContact O-CE2 3.48Å; L217-Y221 PolarHBondContact O-N 2.97Å
218V84.3Confident83.5Confident8 Ų842.3 Ų42.35%0.04822%0.215CC..Hα-helixtrans-60.2-41.2173.7177.10000111.5L72 L108 L156 F214 T215 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.24Å; L72-V218 HydrophobicContact CD2-CG1 3.88Å; L108-V218 HydrophobicContact CB-CG1 4.48Å; L156-V218 HydrophobicContact CD2-CG2 4.41Å; F214-V218 HydrophobicContact CD1-CG2 4.43Å; F214-V218 HydrophobicContact CE1-CG2 4.24Å; F214-V218 WeakPolarHBondContact O-CG2 3.22Å; F214-V218 PolarHBondContact O-N 2.83Å; T215-V218 PolarHBondContact O-N 2.77Å; V218-Y221 PolarHBondContact O-N 3.4Å; V218-L222 PolarHBondContact O-N 3.07Å; V218-L222 VanDerWaalsContact O-N 3.08Å
219S84.9Confident83.3Confident10 Ų1038.2 Ų38.27%0.0719%0.193CC..Hα-helixtrans-68.3-37.9177.379.30000111.9H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact CE1-O 3.37Å; H61-S219 PolarHBondContact NE2-O 3.47Å; H61-S219 VanDerWaalsContact NE2-O 3.07Å; T215-S219 WeakPolarHBondContact O-CB 3.38Å; T215-S219 PolarHBondContact O-N 3.16Å; L216-S219 PolarHBondContact O-N 2.94Å; L216-S219 PolarHBondContact O-OG 3.35Å; L217-S219 VanDerWaalsContact C-N 3.3Å; L217-S219 PolarHBondContact O-N 3.12Å; S219-L222 WeakPolarHBondContact O-CB 3.42Å; S219-L222 PolarHBondContact O-N 3.21Å; S219-H223 PolarHBondContact O-N 3.3Å
220L82.9Confident82.8Confident76 Ų7634.8 Ų34.840%0.39818%0.176SC..Hα-helixtrans-62.4-43.4174.9-169.2148.8000111.4L216 L217 L222 H223 D224L216-L220 WeakPolarHBondContact O-CB 3.33Å; L216-L220 PolarHBondContact O-N 2.88Å; L217-L220 PolarHBondContact O-N 3.47Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.48Å; L220-H223 WeakPolarHBondContact O-CA 3.39Å; L220-H223 WeakPolarHBondContact O-CB 3.45Å; L220-H223 PolarHBondContact O-N 3.2Å; L220-H223 VanDerWaalsContact O-N 3.08Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.48Å; L220-D224 PolarHBondContact O-N 3.21Å
221Y78.7Confident82.5Confident21 Ų2136.3 Ų36.38%0.08218%0.183CC..Hα-helixtrans-61.2-38.9173.5-62.6-51.8000112.5Q152 L217 V218 H223 D224 N225Q152-Y221 VanDerWaalsContact CD-CZ 3.4Å; Q152-Y221 HydrophobicContact CG-CE1 4.43Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.3Å; Q152-Y221 PolarHBondContact NE2-OH 3.23Å; Q152-Y221 PolarHBondContact OE1-OH 3.37Å; L217-Y221 HydrophobicContact CB-CE2 4.17Å; L217-Y221 WeakPolarHBondContact O-CD2 3.45Å; L217-Y221 WeakPolarHBondContact O-CE2 3.48Å; L217-Y221 PolarHBondContact O-N 2.97Å; V218-Y221 PolarHBondContact O-N 3.4Å; Y221-H223 VanDerWaalsContact C-N 3.29Å; Y221-D224 PolarHBondContact O-N 3.32Å; Y221-N225 VanDerWaalsContact O-CB 3.31Å; Y221-N225 WeakPolarHBondContact O-CB 3.36Å; Y221-N225 PolarHBondContact O-N 3.42Å; Y221-N225 VanDerWaalsContact O-N 3.09Å; Y221-N225 PolarHBondContact O-ND2 3.47Å
222L79.2Confident82Confident3 Ų338.7 Ų38.72%0.01620%0.195CC..Hα-helixtrans-64.7-39.5176.3-16775.1000110.8W68 A112 M115 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.42Å; W68-L222 VanDerWaalsContact CB-CD2 3.42Å; W68-L222 HydrophobicContact CD2-CD1 3.73Å; W68-L222 HydrophobicContact CD2-CD2 3.97Å; W68-L222 HydrophobicContact CE3-CD1 3.92Å; W68-L222 HydrophobicContact CE3-CD2 4.3Å; W68-L222 HydrophobicContact CG-CD1 4.05Å; W68-L222 HydrophobicContact CG-CD2 3.53Å; W68-L222 HydrophobicContact CG-CG 4.47Å; W68-L222 HydrophobicContact CZ2-CD1 4.49Å; W68-L222 HydrophobicContact CZ3-CD1 4.44Å; A112-L222 HydrophobicContact CB-CD1 4.37Å; M115-L222 HydrophobicContact SD-CD1 4.27Å; V218-L222 PolarHBondContact O-N 3.07Å; V218-L222 VanDerWaalsContact O-N 3.08Å; S219-L222 WeakPolarHBondContact O-CB 3.42Å; S219-L222 PolarHBondContact O-N 3.21Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.48Å; L222-N225 PolarHBondContact O-N 2.84Å; L222-T226 HydrophobicContact CG-CG2 4.31Å; L222-T226 WeakPolarHBondContact O-CB 3.27Å; L222-T226 WeakPolarHBondContact O-CG2 3.41Å; L222-T226 PolarHBondContact O-N 3.18Å; L222-T226 VanDerWaalsContact O-N 3.13Å; L222-T226 PolarHBondContact O-OG1 3.29Å
223H79.7Confident81.5Confident86 Ų8634.4 Ų34.440%0.39818%0.181SC..Hα-helixtrans-60.3-51.8175.2-174.884.7000111.5M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 3.22Å; M60-H223 PolarHBondContact O-ND1 3.42Å; S219-H223 PolarHBondContact O-N 3.3Å; L220-H223 WeakPolarHBondContact O-CA 3.39Å; L220-H223 WeakPolarHBondContact O-CB 3.45Å; L220-H223 PolarHBondContact O-N 3.2Å; L220-H223 VanDerWaalsContact O-N 3.08Å; Y221-H223 VanDerWaalsContact C-N 3.29Å; H223-N225 PolarHBondContact O-N 2.8Å; H223-T226 PolarHBondContact O-N 3.36Å; H223-T226 VanDerWaalsContact O-N 3.11Å; H223-T226 PolarHBondContact O-OG1 3.47Å
224D75.7Confident80.9Confident73 Ų7333.7 Ų33.739%0.3918%0.175SC..Hα-helixtrans-61.3-30.7-179.2-64.8-15000112.6L220 Y221L220-D224 WeakPolarHBondContact CD2-OD2 3.48Å; L220-D224 PolarHBondContact O-N 3.21Å; Y221-D224 PolarHBondContact O-N 3.32Å
225N72Confident80.4Confident30 Ų3036.3 Ų36.316%0.1619%0.189CC..THydrogen-bonded Turntrans-90.9-1.8179.8-75.1-73.1000114.4G116 S119 Y221 L222 H223G116-N225 VanDerWaalsContact CA-O 3.27Å; G116-N225 WeakPolarHBondContact CA-O 3.21Å; S119-N225 PolarHBondContact OG-O 2.9Å; Y221-N225 VanDerWaalsContact O-CB 3.31Å; Y221-N225 WeakPolarHBondContact O-CB 3.36Å; Y221-N225 PolarHBondContact O-N 3.42Å; Y221-N225 VanDerWaalsContact O-N 3.09Å; Y221-N225 PolarHBondContact O-ND2 3.47Å; L222-N225 PolarHBondContact O-N 2.84Å; H223-N225 PolarHBondContact O-N 2.8Å
226T67Low79.7Confident32 Ų3239.5 Ų39.520%0.19621%0.206CC..  trans-107.50-178.754.70000114.9K120 L222 H223K120-T226 WeakPolarHBondContact CE-O 3.47Å; K120-T226 VanDerWaalsContact NZ-C 3.3Å; K120-T226 PolarHBondContact NZ-O 3.47Å; K120-T226 PolarHBondContact NZ-OXT 3.44Å; K120-T226 VanDerWaalsContact NZ-OXT 3.11Å; L222-T226 HydrophobicContact CG-CG2 4.31Å; L222-T226 WeakPolarHBondContact O-CB 3.27Å; L222-T226 WeakPolarHBondContact O-CG2 3.41Å; L222-T226 PolarHBondContact O-N 3.18Å; L222-T226 VanDerWaalsContact O-N 3.13Å; L222-T226 PolarHBondContact O-OG1 3.29Å; H223-T226 PolarHBondContact O-N 3.36Å; H223-T226 VanDerWaalsContact O-N 3.11Å; H223-T226 PolarHBondContact O-OG1 3.47Å

Retrieved 226 of 226 residues in 465.7 ms (Link to these results)

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