A0A077Z1K3_TRITR Loading...

Glutathione S-transferase omega

Exhibits glutathione-dependent thiol transferase activity. Has high dehydroascorbate reductase activity and may contribute to the recycling of ascorbic acid. Participates in the biotransformation of inorganic arsenic and reduces monomethylarsonic acid (MMA).

AlphaFold DB , UniProt , Accession A0A077Z1K3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 201 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
1M90Very high94.6Very high45 Ų4566.2 Ų66.222%0.22241%0.407CS..  0163.10-68-162.9-174.100109.8P3 M21 R22 N45 N47 Y196 D197M1-P3 WeakPolarHBondContact O-CD 3.42Å; M1-M21 HydrophobicContact CE-CG 3.96Å; M1-M21 HydrophobicContact CE-SD 4.34Å; M1-M21 HydrophobicContact SD-CG 3.96Å; M1-R22 HydrophobicContact CE-CB 3.81Å; M1-N45 CarbonylContact C-O 3.31Å; M1-N45 WeakPolarHBondContact CA-O 3.25Å; M1-N45 HydrophobicContact CB-CB 4.5Å; M1-N45 WeakPolarHBondContact CB-O 3.22Å; M1-N45 HydrophobicContact CG-CB 3.92Å; M1-N45 HydrophobicContact SD-CB 4.2Å; M1-N47 HydrophobicContact CB-CB 4.17Å; M1-Y196 HydrophobicContact CE-CD1 3.74Å; M1-Y196 HydrophobicContact CE-CG 3.79Å; M1-Y196 VanDerWaalsContact CE-O 3.22Å; M1-Y196 WeakPolarHBondContact CE-O 3.47Å; M1-Y196 WeakPolarHBondContact SD-CB 3.28Å; M1-Y196 HydrophobicContact SD-CD1 3.94Å; M1-Y196 HydrophobicContact SD-CD2 4.35Å; M1-Y196 HydrophobicContact SD-CG 3.65Å; M1-D197 PolarHBondContact N-OD1 3.08Å
2F92.8Very high94.6Very high68 Ų6864.8 Ų64.830%0.29840%0.402SS..BIsolated β-bridgetrans-71.3115.2173.4-76.5-91.3000110.8E6 P9 V44 N45 N47 P52 W54F2-E6 HydrophobicContact CD1-CB 3.96Å; F2-E6 HydrophobicContact CD1-CG 4.48Å; F2-P9 HydrophobicContact CD1-CG 3.98Å; F2-P9 HydrophobicContact CD2-CG 4.49Å; F2-P9 HydrophobicContact CE1-CG 3.3Å; F2-P9 HydrophobicContact CE2-CG 3.87Å; F2-P9 HydrophobicContact CZ-CB 4.25Å; F2-P9 HydrophobicContact CZ-CG 3.23Å; F2-V44 HydrophobicContact CD2-CG1 3.58Å; F2-V44 HydrophobicContact CE2-CG1 3.88Å; F2-V44 HydrophobicContact CG-CG1 4.19Å; F2-N45 PolarHBondContact N-O 3.48Å; F2-N47 WeakPolarHBondContact O-CB 3.05Å; F2-N47 PolarHBondContact O-N 2.76Å; F2-P52 HydrophobicContact CB-CG 3.98Å; F2-P52 WeakPolarHBondContact O-CD 3.31Å; F2-P52 VanDerWaalsContact O-CG 3.23Å; F2-P52 WeakPolarHBondContact O-CG 3.47Å; F2-W54 HydrophobicContact CB-CZ2 4.35Å
3P93.8Very high94.4Very high36 Ų3666.5 Ų66.523%0.23441%0.407CS..  trans-87-177.917236.7-41.7000113.8M1 E6 N50 P52M1-P3 WeakPolarHBondContact O-CD 3.42Å; P3-E6 HydrophobicContact CG-CG 3.75Å; P3-N50 CarbonylContact C-O 3.51Å; P3-N50 VanDerWaalsContact CA-O 3.26Å; P3-N50 WeakPolarHBondContact CA-O 3.46Å; P3-P52 WeakPolarHBondContact O-CA 3.35Å
4A94.9Very high94.5Very high33 Ų3371.1 Ų71.127%0.27343%0.428SS..THydrogen-bonded Turntrans-53.5148.1163.900000112.1E6 N50 K51A4-E6 PolarHBondContact O-N 3.37Å; A4-N50 WeakPolarHBondContact CB-OD1 3.28Å; A4-N50 PolarHBondContact N-O 2.83Å; A4-K51 VanDerWaalsContact CA-O 3.24Å; A4-K51 WeakPolarHBondContact CA-O 3.36Å; A4-K51 VanDerWaalsContact CB-O 3.24Å; A4-K51 WeakPolarHBondContact CB-O 3.39Å; A4-K51 PolarHBondContact N-O 3.18Å
5G94.8Very high94.7Very high62 Ų6270.1 Ų70.164%0.63942%0.419SS*.THydrogen-bonded Turntrans77.8-17.8-178.800000115.8D53G5-D53 WeakPolarHBondContact CA-OD2 3.39Å; G5-D53 PolarHBondContact N-OD2 2.97Å
6E95.2Very high94.9Very high94 Ų9465.8 Ų65.844%0.43939%0.393SS..PPolyproline II helixtrans-74.9131.6174.3-73.9-67.1162.100111.1F2 P3 A4 W54F2-E6 HydrophobicContact CD1-CB 3.96Å; F2-E6 HydrophobicContact CD1-CG 4.48Å; P3-E6 HydrophobicContact CG-CG 3.75Å; A4-E6 PolarHBondContact O-N 3.37Å; E6-W54 PolarHBondContact O-NE1 3.13Å
7P96.1Very high95.1Very high94 Ų9462.5 Ų62.561%0.6137%0.372SS*.PPolyproline II helixtrans-66.1154.2179.929-35000111.6P9P7-P9 WeakPolarHBondContact O-CD 3.45Å
8L95.9Very high95.3Very high79 Ų7959 Ų5941%0.41435%0.351SS..PPolyproline II helixtrans-61.1122.5175.2178.158.5000109.9Y19 W54L8-Y19 HydrophobicContact CD1-CE1 3.56Å; L8-Y19 WeakPolarHBondContact CD1-OH 3.27Å; L8-W54 HydrophobicContact CB-CB 4.39Å; L8-W54 HydrophobicContact CB-CD2 4.05Å; L8-W54 HydrophobicContact CB-CG 3.83Å; L8-W54 HydrophobicContact CD1-CD2 3.69Å; L8-W54 HydrophobicContact CD1-CE3 3.64Å; L8-W54 HydrophobicContact CD1-CG 4.34Å; L8-W54 HydrophobicContact CD1-CH2 4.07Å; L8-W54 HydrophobicContact CD1-CZ2 4.09Å; L8-W54 HydrophobicContact CD1-CZ3 3.85Å; L8-W54 HydrophobicContact CG-CD2 4.38Å
9P95.9Very high95.5Very high31 Ų3155.9 Ų55.920%0.20133%0.333CS..PPolyproline II helixtrans-62144.1-178.3-26.836.8000112.4F2 P7 R17 V44F2-P9 HydrophobicContact CD1-CG 3.98Å; F2-P9 HydrophobicContact CD2-CG 4.49Å; F2-P9 HydrophobicContact CE1-CG 3.3Å; F2-P9 HydrophobicContact CE2-CG 3.87Å; F2-P9 HydrophobicContact CZ-CB 4.25Å; F2-P9 HydrophobicContact CZ-CG 3.23Å; P7-P9 WeakPolarHBondContact O-CD 3.45Å; P9-R17 PolarHBondContact O-NH1 2.84Å; P9-V44 HydrophobicContact CG-CG1 4.25Å; P9-V44 HydrophobicContact CG-CG2 4.39Å
10A95.9Very high95.6Very high99 Ų9953.2 Ų53.282%0.81832%0.316SS*.PPolyproline II helixtrans-56.5141.7171.900000111R17A10-R17 PolarHBondContact O-NH1 2.86Å; A10-R17 PolarHBondContact O-NH2 2.96Å
11R94.9Very high95.7Very high87 Ų8751.2 Ų51.233%0.32830%0.304SS..  trans-122155.1-177.778.8-177.3-179.363.518.7112.4D13 R17 R70R11-D13 IonicContact CZ-OD1 2.69Å; R11-D13 IonicContact NH1-OD1 3.86Å; R11-D13 PolarHBondContact NH1-OD1 2.89Å; R11-D13 IonicContact NH2-OD1 3.71Å; R11-D13 PolarHBondContact NH2-OD1 2.63Å; R11-R17 VanDerWaalsContact CA-NH2 3.34Å; R11-R17 VanDerWaalsContact CB-NH1 3.26Å; R11-R70 PolarHBondContact NH1-O 3.17Å; R11-R70 PolarHBondContact NH2-O 3.02Å
12S94.8Very high95.9Very high49 Ų4952.6 Ų52.634%0.34331%0.307SS..  trans-96.9133.1169.3178.10000109.8N14 L15S12-N14 PolarHBondContact O-N 3.24Å; S12-N14 PolarHBondContact OG-N 2.95Å; S12-L15 PolarHBondContact O-N 3.43Å
13D92Very high96.1Very high87 Ų8749.5 Ų49.547%0.46529%0.293SS..THydrogen-bonded Turntrans-68.2-15.7172.7-75.4-36.7000113R11 Y69R11-D13 IonicContact CZ-OD1 2.69Å; R11-D13 IonicContact NH1-OD1 3.86Å; R11-D13 PolarHBondContact NH1-OD1 2.89Å; R11-D13 IonicContact NH2-OD1 3.71Å; R11-D13 PolarHBondContact NH2-OD1 2.63Å; D13-Y69 WeakPolarHBondContact O-CE2 3.41Å
14N95.5Very high96.2Very high131 Ų13148.3 Ų48.370%0.70129%0.286SS*.THydrogen-bonded Turntrans-84.4-11.5178.5-65.7-36000113.4S12S12-N14 PolarHBondContact O-N 3.24Å; S12-N14 PolarHBondContact OG-N 2.95Å
15L97.8Very high96.3Very high56 Ų5648 Ų4829%0.29328%0.281SS..SBendtrans-113.5143-179.6-60.7-179.4000110S12 P40 D42S12-L15 PolarHBondContact O-N 3.43Å; L15-P40 HydrophobicContact CD2-CB 3.5Å; L15-P40 VanDerWaalsContact CD2-CB 3.5Å; L15-D42 HydrophobicContact CD1-CB 4.38Å
16V98.5Very high96.5Very high1 Ų150.6 Ų50.61%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-73.2125.8164.3177.10000108.1L34 I39 P40 F41 D42 V67 Y69 L84 F88V16-L34 HydrophobicContact CB-CD2 4.17Å; V16-L34 HydrophobicContact CG1-CD2 3.9Å; V16-I39 HydrophobicContact CB-CG2 4.21Å; V16-I39 HydrophobicContact CG2-CG2 3.55Å; V16-P40 PolarHBondContact N-O 2.88Å; V16-F41 HydrophobicContact CB-CB 4.22Å; V16-F41 CarbonylContact O-C 3.28Å; V16-F41 WeakPolarHBondContact O-CA 3.34Å; V16-F41 WeakPolarHBondContact O-CB 3.39Å; V16-D42 PolarHBondContact O-N 3.23Å; V16-V67 HydrophobicContact CG1-CG1 3.32Å; V16-Y69 HydrophobicContact CB-CD2 4.44Å; V16-Y69 HydrophobicContact CG2-CD2 3.68Å; V16-Y69 HydrophobicContact CG2-CE2 4.19Å; V16-Y69 HydrophobicContact CG2-CG 3.94Å; V16-L84 HydrophobicContact CG1-CD2 4.35Å; V16-F88 HydrophobicContact CG2-CE2 4.1Å; V16-F88 HydrophobicContact CG2-CZ 3.87Å
17R98.5Very high96.6Very high10 Ų1046.1 Ų46.14%0.03825%0.252CS..EExtended strand (participates in β ladder)trans-97.2123.6174.6177.1160.1-74-175.6-3111.1P9 A10 R11 Y19 D42 V44 V67 Q68P9-R17 PolarHBondContact O-NH1 2.84Å; A10-R17 PolarHBondContact O-NH1 2.86Å; A10-R17 PolarHBondContact O-NH2 2.96Å; R11-R17 VanDerWaalsContact CA-NH2 3.34Å; R11-R17 VanDerWaalsContact CB-NH1 3.26Å; R17-Y19 HydrophobicContact CB-CE2 4.47Å; R17-Y19 VanDerWaalsContact CD-OH 3.31Å; R17-Y19 WeakPolarHBondContact CD-OH 3.48Å; R17-Y19 HydrophobicContact CG-CD2 4.14Å; R17-Y19 HydrophobicContact CG-CE1 4.41Å; R17-Y19 HydrophobicContact CG-CE2 3.7Å; R17-D42 VanDerWaalsContact CA-OD1 3.22Å; R17-D42 WeakPolarHBondContact CA-OD1 3.41Å; R17-D42 VanDerWaalsContact CB-OD1 3.25Å; R17-D42 WeakPolarHBondContact CB-OD1 3.44Å; R17-D42 WeakPolarHBondContact CG-OD1 3.33Å; R17-D42 IonicContact CZ-OD2 2.79Å; R17-D42 VanDerWaalsContact CZ-OD2 3.26Å; R17-D42 IonicContact NE-OD1 3.81Å; R17-D42 PolarHBondContact NE-OD1 2.81Å; R17-D42 VanDerWaalsContact NE-OD1 3.13Å; R17-D42 IonicContact NE-OD2 2.68Å; R17-D42 PolarHBondContact NE-OD2 3.5Å; R17-D42 IonicContact NH2-OD1 2.79Å; R17-D42 IonicContact NH2-OD2 2.66Å; R17-D42 PolarHBondContact NH2-OD2 3.33Å; R17-V44 HydrophobicContact CG-CG2 4.32Å; R17-V67 CarbonylContact O-C 3.5Å; R17-V67 VanDerWaalsContact O-CA 3.3Å; R17-V67 WeakPolarHBondContact O-CA 3.44Å; R17-Q68 PolarHBondContact N-O 3.48Å; R17-Q68 PolarHBondContact O-N 3.35Å
18L98.7Very high96.7Very high0 Ų042 Ų420%022%0.224CC..EExtended strand (participates in β ladder)trans-101.7115.6169.9174.261.4000110.6V30 L31 L34 D42 V43 V44 P65 V67L18-V30 HydrophobicContact CD1-CB 4.09Å; L18-V30 HydrophobicContact CD1-CG1 3.92Å; L18-V30 HydrophobicContact CD2-CB 4.29Å; L18-V30 HydrophobicContact CD2-CG1 4.31Å; L18-L31 HydrophobicContact CD2-CD1 4.45Å; L18-L31 HydrophobicContact CD2-CD2 3.49Å; L18-L31 VanDerWaalsContact CD2-CD2 3.49Å; L18-L31 HydrophobicContact CD2-CG 3.53Å; L18-L34 HydrophobicContact CB-CD1 4.35Å; L18-L34 HydrophobicContact CD2-CD1 4.42Å; L18-D42 PolarHBondContact N-O 3.08Å; L18-V43 WeakPolarHBondContact O-CA 3.49Å; L18-V44 PolarHBondContact O-N 3.3Å; L18-P65 HydrophobicContact CD1-CB 3.72Å; L18-V67 HydrophobicContact CD1-CG2 3.92Å
19Y98.5Very high96.8Very high0 Ų039.5 Ų39.50%021%0.209CC..EExtended strand (participates in β ladder)trans-83.2117.5164.2-58.5-89.1000108.7L8 R17 V44 W54 L58 P65 I66 Q68L8-Y19 HydrophobicContact CD1-CE1 3.56Å; L8-Y19 WeakPolarHBondContact CD1-OH 3.27Å; R17-Y19 HydrophobicContact CB-CE2 4.47Å; R17-Y19 VanDerWaalsContact CD-OH 3.31Å; R17-Y19 WeakPolarHBondContact CD-OH 3.48Å; R17-Y19 HydrophobicContact CG-CD2 4.14Å; R17-Y19 HydrophobicContact CG-CE1 4.41Å; R17-Y19 HydrophobicContact CG-CE2 3.7Å; Y19-V44 WeakPolarHBondContact CA-O 3.25Å; Y19-V44 HydrophobicContact CD1-CB 3.81Å; Y19-V44 HydrophobicContact CD1-CG1 3.95Å; Y19-V44 HydrophobicContact CD1-CG2 4.45Å; Y19-V44 HydrophobicContact CE1-CB 4.12Å; Y19-V44 HydrophobicContact CE1-CG1 4.2Å; Y19-V44 HydrophobicContact CE1-CG2 4.3Å; Y19-W54 AromaticContact CD1-CH2 3.67Å; Y19-W54 HydrophobicContact CD1-CH2 3.67Å; Y19-W54 AromaticContact CD1-CZ3 3.43Å; Y19-W54 HydrophobicContact CD1-CZ3 3.43Å; Y19-W54 VanDerWaalsContact CD1-CZ3 3.43Å; Y19-W54 HydrophobicContact CE1-CE3 4.33Å; Y19-W54 AromaticContact CE1-CH2 3.77Å; Y19-W54 HydrophobicContact CE1-CH2 3.77Å; Y19-W54 AromaticContact CE1-CZ3 3.47Å; Y19-W54 HydrophobicContact CE1-CZ3 3.47Å; Y19-W54 VanDerWaalsContact CE1-CZ3 3.47Å; Y19-W54 HydrophobicContact CG-CZ3 4.44Å; Y19-L58 HydrophobicContact CD1-CD1 4.13Å; Y19-L58 HydrophobicContact CD2-CD1 3.98Å; Y19-L58 HydrophobicContact CE1-CD1 3.75Å; Y19-L58 HydrophobicContact CE2-CD1 3.61Å; Y19-L58 HydrophobicContact CG-CD1 4.22Å; Y19-L58 VanDerWaalsContact CZ-CD1 3.46Å; Y19-P65 WeakPolarHBondContact O-CA 3.27Å; Y19-I66 HydrophobicContact CD2-CB 4.09Å; Y19-I66 HydrophobicContact CD2-CG2 4.42Å; Y19-I66 HydrophobicContact CG-CB 4.46Å; Y19-I66 PolarHBondContact N-O 3.35Å; Y19-I66 PolarHBondContact O-N 3.28Å; Y19-Q68 HydrophobicContact CE2-CB 3.97Å; Y19-Q68 PolarHBondContact OH-OE1 3.17Å
20S98.1Very high96.9Very high1 Ų138 Ų381%0.00720%0.199CC..EExtended strand (participates in β ladder)trans-131.6174.6-166.6-165.20000112.2S27 V44 N45 C46S20-S27 WeakPolarHBondContact OG-CB 3.49Å; S20-S27 PolarHBondContact OG-OG 3.3Å; S20-V44 PolarHBondContact N-O 3.09Å; S20-N45 CarbonylContact O-C 3.12Å; S20-N45 WeakPolarHBondContact O-CA 3.26Å; S20-C46 PolarHBondContact O-N 3.13Å
21M96.5Very high97Very high12 Ų1234.6 Ų34.66%0.05917%0.167CC..  trans-132128.7153.8176.9-76.9-79.300105.2M1 F23 C24 L48 V64 F185 Y196M1-M21 HydrophobicContact CE-CG 3.96Å; M1-M21 HydrophobicContact CE-SD 4.34Å; M1-M21 HydrophobicContact SD-CG 3.96Å; M21-F23 VanDerWaalsContact C-N 3.26Å; M21-F23 HydrophobicContact CE-CB 4.31Å; M21-F23 PolarHBondContact O-N 3.45Å; M21-F23 VanDerWaalsContact O-N 3.07Å; M21-F23 HydrophobicContact SD-CB 3.8Å; M21-F23 HydrophobicContact SD-CD2 4.41Å; M21-F23 PolarHBondContact SD-N 3.45Å; M21-C24 HydrophobicContact CB-CB 4.17Å; M21-C24 HydrophobicContact CE-CB 3.82Å; M21-C24 WeakPolarHBondContact O-CB 3.43Å; M21-C24 PolarHBondContact O-N 3.35Å; M21-C24 HydrophobicContact SD-CB 4.39Å; M21-L48 HydrophobicContact CB-CD1 3.64Å; M21-L48 HydrophobicContact CB-CG 3.87Å; M21-L48 HydrophobicContact CE-CD1 4.11Å; M21-L48 HydrophobicContact CG-CD1 3.85Å; M21-L48 HydrophobicContact CG-CG 3.97Å; M21-V64 HydrophobicContact CB-CG2 3.97Å; M21-F185 HydrophobicContact CE-CZ 3.92Å; M21-F185 HydrophobicContact SD-CE2 4.49Å; M21-F185 HydrophobicContact SD-CZ 4.28Å; M21-Y196 HydrophobicContact CE-CE1 4.09Å; M21-Y196 HydrophobicContact CG-CD1 3.78Å; M21-Y196 HydrophobicContact CG-CE1 3.67Å; M21-Y196 HydrophobicContact SD-CD1 3.81Å; M21-Y196 HydrophobicContact SD-CE1 3.73Å
22R95.3Very high97.2Very high74 Ų7430.4 Ų30.428%0.27915%0.152SC..THydrogen-bonded Turntrans-50.5-40.7-165.2-172.2171.3-62.3-165.37.2114.4M1 N45 I177 M199M1-R22 HydrophobicContact CE-CB 3.81Å; R22-N45 PolarHBondContact N-OD1 2.9Å; R22-N45 VanDerWaalsContact N-OD1 3.15Å; R22-I177 HydrophobicContact CG-CD1 3.96Å; R22-I177 WeakPolarHBondContact O-CD1 3.05Å; R22-M199 PolarHBondContact NH1-O 2.87Å
23F96.5Very high97.3Very high3 Ų328.1 Ų28.11%0.01314%0.135CC..THydrogen-bonded Turntrans-91.22.1-178.2-60.6-82.5000113.9M21 P25 R137 I177 M181 H182 F185 L198 M199M21-F23 VanDerWaalsContact C-N 3.26Å; M21-F23 HydrophobicContact CE-CB 4.31Å; M21-F23 PolarHBondContact O-N 3.45Å; M21-F23 VanDerWaalsContact O-N 3.07Å; M21-F23 HydrophobicContact SD-CB 3.8Å; M21-F23 HydrophobicContact SD-CD2 4.41Å; M21-F23 PolarHBondContact SD-N 3.45Å; F23-P25 WeakPolarHBondContact O-CD 3.38Å; F23-R137 PolarHBondContact O-NE 2.97Å; F23-R137 PolarHBondContact O-NH2 2.98Å; F23-I177 HydrophobicContact CD1-CD1 4.07Å; F23-I177 HydrophobicContact CD1-CG2 4.21Å; F23-I177 HydrophobicContact CE1-CD1 4.33Å; F23-I177 HydrophobicContact CE1-CG2 3.78Å; F23-M181 HydrophobicContact CE1-CB 4.29Å; F23-H182 AromaticContact CD1-ND1 3.82Å; F23-F185 HydrophobicContact CB-CD1 3.47Å; F23-F185 VanDerWaalsContact CB-CD1 3.47Å; F23-F185 HydrophobicContact CB-CD2 3.94Å; F23-F185 HydrophobicContact CB-CE1 3.51Å; F23-F185 HydrophobicContact CB-CE2 3.97Å; F23-F185 HydrophobicContact CB-CG 3.69Å; F23-F185 HydrophobicContact CB-CZ 3.76Å; F23-F185 HydrophobicContact CD1-CB 3.67Å; F23-F185 HydrophobicContact CD1-CD1 4.14Å; F23-F185 HydrophobicContact CD1-CD2 4.34Å; F23-F185 AromaticContact CD1-CG 3.78Å; F23-F185 HydrophobicContact CD1-CG 3.78Å; F23-F185 HydrophobicContact CD2-CB 4.15Å; F23-F185 HydrophobicContact CD2-CD1 4.39Å; F23-F185 AromaticContact CD2-CD2 3.39Å; F23-F185 HydrophobicContact CD2-CD2 3.39Å; F23-F185 AromaticContact CD2-CE2 3.84Å; F23-F185 HydrophobicContact CD2-CE2 3.84Å; F23-F185 AromaticContact CD2-CG 3.71Å; F23-F185 HydrophobicContact CD2-CG 3.71Å; F23-F185 HydrophobicContact CD2-CZ 4.5Å; F23-F185 HydrophobicContact CE1-CB 3.81Å; F23-F185 HydrophobicContact CE1-CG 4.33Å; F23-F185 HydrophobicContact CE2-CB 4.29Å; F23-F185 AromaticContact CE2-CD2 3.95Å; F23-F185 HydrophobicContact CE2-CD2 3.95Å; F23-F185 HydrophobicContact CE2-CG 4.28Å; F23-F185 HydrophobicContact CG-CB 3.86Å; F23-F185 AromaticContact CG-CD1 3.76Å; F23-F185 HydrophobicContact CG-CD1 3.76Å; F23-F185 AromaticContact CG-CD2 3.62Å; F23-F185 HydrophobicContact CG-CD2 3.62Å; F23-F185 HydrophobicContact CG-CE1 4.22Å; F23-F185 HydrophobicContact CG-CE2 4.1Å; F23-F185 AromaticContact CG-CG 3.43Å; F23-F185 HydrophobicContact CG-CG 3.43Å; F23-F185 VanDerWaalsContact CG-CG 3.43Å; F23-F185 HydrophobicContact CG-CZ 4.37Å; F23-F185 HydrophobicContact CZ-CB 4.13Å; F23-L198 HydrophobicContact CE2-CB 4.4Å; F23-L198 HydrophobicContact CE2-CD1 4.34Å; F23-L198 HydrophobicContact CZ-CB 3.99Å; F23-L198 HydrophobicContact CZ-CD1 4Å; F23-M199 HydrophobicContact CZ-CG 4.32Å
24C96.6Very high97.5Very high11 Ų1124 Ų247%0.07411%0.113CC..  trans-71.9116.5-179.4-1760000111.6M21 Y26 S27 E28 V64M21-C24 HydrophobicContact CB-CB 4.17Å; M21-C24 HydrophobicContact CE-CB 3.82Å; M21-C24 WeakPolarHBondContact O-CB 3.43Å; M21-C24 PolarHBondContact O-N 3.35Å; M21-C24 HydrophobicContact SD-CB 4.39Å; C24-Y26 VanDerWaalsContact C-N 3.26Å; C24-Y26 PolarHBondContact O-N 3.18Å; C24-S27 PolarHBondContact O-N 3.27Å; C24-E28 PolarHBondContact O-N 3.07Å; C24-V64 HydrophobicContact CB-CG2 4.38Å
25P97.2Very high97.6Very high27 Ų2718.4 Ų18.418%0.1759%0.086CC..Hα-helixtrans-66.4-28.2178.826.9-34.4000112.7F23 E28 R29 P133 W134F23-P25 WeakPolarHBondContact O-CD 3.38Å; P25-E28 PolarHBondContact O-N 2.7Å; P25-R29 PolarHBondContact O-N 3.41Å; P25-P133 HydrophobicContact CB-CB 3.58Å; P25-P133 WeakPolarHBondContact O-CB 3.48Å; P25-P133 WeakPolarHBondContact O-CG 3.24Å; P25-W134 HydrophobicContact CB-CZ2 4.39Å
26Y98.1Very high97.4Very high117 Ų11715.9 Ų15.946%0.4597%0.072SC..Hα-helixtrans-69.1-39.1176.1-61.5-74.8000112C24 E28 R29 S77 W134C24-Y26 VanDerWaalsContact C-N 3.26Å; C24-Y26 PolarHBondContact O-N 3.18Å; Y26-E28 VanDerWaalsContact C-N 3.32Å; Y26-R29 WeakPolarHBondContact O-CB 3.42Å; Y26-R29 PolarHBondContact O-N 3.34Å; Y26-S77 VanDerWaalsContact O-CB 3.28Å; Y26-S77 WeakPolarHBondContact O-CB 3.44Å; Y26-W134 HydrophobicContact CD1-CH2 4.15Å; Y26-W134 HydrophobicContact CD1-CZ2 4.2Å; Y26-W134 HydrophobicContact CE1-CH2 4.12Å; Y26-W134 AromaticContact CE1-CZ2 3.8Å; Y26-W134 HydrophobicContact CE1-CZ2 3.8Å
27S98.1Very high97.2Very high0 Ų015.8 Ų15.80%07%0.072CC..Hα-helixtrans-71.9-30.9175.7-55.90000112.2S20 C24 R29 V30 L31S20-S27 WeakPolarHBondContact OG-CB 3.49Å; S20-S27 PolarHBondContact OG-OG 3.3Å; C24-S27 PolarHBondContact O-N 3.27Å; S27-R29 VanDerWaalsContact C-N 3.32Å; S27-R29 PolarHBondContact O-N 3.47Å; S27-V30 WeakPolarHBondContact O-CB 3.39Å; S27-V30 PolarHBondContact O-N 3.31Å; S27-V30 VanDerWaalsContact O-N 3.1Å; S27-L31 PolarHBondContact O-N 3.49Å
28E98Very high97.1Very high6 Ų621.3 Ų21.33%0.02810%0.096CC..Hα-helixtrans-62.9-36.5174.8-167.2-176.1133.100112.5C24 P25 Y26 V30 L31 L32 P133 R137C24-E28 PolarHBondContact O-N 3.07Å; P25-E28 PolarHBondContact O-N 2.7Å; Y26-E28 VanDerWaalsContact C-N 3.32Å; E28-V30 PolarHBondContact O-N 2.66Å; E28-V30 VanDerWaalsContact O-N 3.17Å; E28-L31 WeakPolarHBondContact O-CB 3.35Å; E28-L31 PolarHBondContact O-N 2.79Å; E28-L31 VanDerWaalsContact O-N 3.11Å; E28-L32 HydrophobicContact CG-CD1 4.14Å; E28-L32 HydrophobicContact CG-CG 4.21Å; E28-L32 WeakPolarHBondContact O-CB 3.49Å; E28-L32 WeakPolarHBondContact O-CG 3.47Å; E28-L32 PolarHBondContact O-N 2.99Å; E28-P133 HydrophobicContact CB-CB 4.06Å; E28-P133 HydrophobicContact CB-CG 3.85Å; E28-P133 HydrophobicContact CG-CB 4.29Å; E28-P133 HydrophobicContact CG-CG 3.98Å; E28-P133 WeakPolarHBondContact OE1-CA 3.34Å; E28-R137 IonicContact OE1-NH1 3.14Å; E28-R137 IonicContact OE2-CZ 2.62Å; E28-R137 IonicContact OE2-NH1 2.75Å; E28-R137 PolarHBondContact OE2-NH1 3.29Å; E28-R137 IonicContact OE2-NH2 2.82Å; E28-R137 PolarHBondContact OE2-NH2 3.29Å
29R97.9Very high97Very high27 Ų2721.6 Ų21.610%0.10210%0.098CC..Hα-helixtrans-49.7-44.6170.3-69.8-179.9164.1158.9-3.2111.9P25 Y26 S27 V33 S77 M130 P133 W134P25-R29 PolarHBondContact O-N 3.41Å; Y26-R29 WeakPolarHBondContact O-CB 3.42Å; Y26-R29 PolarHBondContact O-N 3.34Å; S27-R29 VanDerWaalsContact C-N 3.32Å; S27-R29 PolarHBondContact O-N 3.47Å; R29-V33 WeakPolarHBondContact O-CG2 3.48Å; R29-V33 PolarHBondContact O-N 3.46Å; R29-V33 VanDerWaalsContact O-N 3.1Å; R29-S77 PolarHBondContact NH1-OG 2.9Å; R29-S77 VanDerWaalsContact NH1-OG 3.17Å; R29-M130 HydrophobicContact CB-CE 4.3Å; R29-M130 HydrophobicContact CB-SD 4.22Å; R29-M130 HydrophobicContact CG-SD 4.18Å; R29-M130 PolarHBondContact NE-O 2.85Å; R29-M130 PolarHBondContact NH2-O 3.27Å; R29-P133 HydrophobicContact CG-CG 4.1Å; R29-W134 HydrophobicContact CG-CZ3 4.32Å; R29-W134 VanDerWaalsContact CZ-CZ3 3.47Å; R29-W134 VanDerWaalsContact NE-CH2 3.31Å; R29-W134 VanDerWaalsContact NE-CZ3 3.29Å
30V98.5Very high96.9Very high0 Ų025.4 Ų25.40%012%0.123CC..Hα-helixtrans-71.1-43.9-178.8-173.60000110.8L18 S27 E28 L32 V33 L34 P65 V67 I80 L84L18-V30 HydrophobicContact CD1-CB 4.09Å; L18-V30 HydrophobicContact CD1-CG1 3.92Å; L18-V30 HydrophobicContact CD2-CB 4.29Å; L18-V30 HydrophobicContact CD2-CG1 4.31Å; S27-V30 WeakPolarHBondContact O-CB 3.39Å; S27-V30 PolarHBondContact O-N 3.31Å; S27-V30 VanDerWaalsContact O-N 3.1Å; E28-V30 PolarHBondContact O-N 2.66Å; E28-V30 VanDerWaalsContact O-N 3.17Å; V30-L32 VanDerWaalsContact C-N 3.3Å; V30-L32 PolarHBondContact O-N 2.68Å; V30-V33 PolarHBondContact O-N 2.79Å; V30-L34 HydrophobicContact CG1-CD1 3.95Å; V30-L34 HydrophobicContact CG1-CG 4.29Å; V30-L34 VanDerWaalsContact O-CG 3.27Å; V30-L34 WeakPolarHBondContact O-CG 3.49Å; V30-L34 PolarHBondContact O-N 2.99Å; V30-P65 HydrophobicContact CG2-CB 3.91Å; V30-P65 HydrophobicContact CG2-CG 3.81Å; V30-V67 HydrophobicContact CG1-CG2 3.63Å; V30-I80 HydrophobicContact CB-CG2 4.3Å; V30-I80 HydrophobicContact CG1-CG2 3.65Å; V30-I80 HydrophobicContact CG2-CB 4.16Å; V30-I80 HydrophobicContact CG2-CD1 4.33Å; V30-I80 HydrophobicContact CG2-CG2 3.63Å; V30-L84 HydrophobicContact CG1-CD1 3.9Å
31L97.9Very high96.9Very high27 Ų2728.5 Ų28.514%0.14114%0.136CC..Hα-helixtrans-55.9-45174.2-73.9171.4000111.9L18 S27 E28 L34 A35 F41 V43L18-L31 HydrophobicContact CD2-CD1 4.45Å; L18-L31 HydrophobicContact CD2-CD2 3.49Å; L18-L31 VanDerWaalsContact CD2-CD2 3.49Å; L18-L31 HydrophobicContact CD2-CG 3.53Å; S27-L31 PolarHBondContact O-N 3.49Å; E28-L31 WeakPolarHBondContact O-CB 3.35Å; E28-L31 PolarHBondContact O-N 2.79Å; E28-L31 VanDerWaalsContact O-N 3.11Å; L31-L34 PolarHBondContact O-N 3.5Å; L31-A35 VanDerWaalsContact O-CB 3.31Å; L31-A35 WeakPolarHBondContact O-CB 3.48Å; L31-A35 PolarHBondContact O-N 2.98Å; L31-F41 HydrophobicContact CD2-CD2 4.39Å; L31-F41 HydrophobicContact CD2-CE2 3.54Å; L31-F41 HydrophobicContact CD2-CZ 4.07Å; L31-V43 HydrophobicContact CD2-CG2 3.84Å
32L97.3Very high96.9Very high0 Ų030 Ų300%014%0.144CC..Hα-helixtrans-62-44.7178.2-65.7165.9000111E28 V30 A35 V36 L129 W132 P133 I172 V175E28-L32 HydrophobicContact CG-CD1 4.14Å; E28-L32 HydrophobicContact CG-CG 4.21Å; E28-L32 WeakPolarHBondContact O-CB 3.49Å; E28-L32 WeakPolarHBondContact O-CG 3.47Å; E28-L32 PolarHBondContact O-N 2.99Å; V30-L32 VanDerWaalsContact C-N 3.3Å; V30-L32 PolarHBondContact O-N 2.68Å; L32-A35 PolarHBondContact O-N 3.22Å; L32-V36 VanDerWaalsContact O-CB 3.31Å; L32-V36 WeakPolarHBondContact O-CB 3.35Å; L32-V36 WeakPolarHBondContact O-CG2 3.48Å; L32-V36 PolarHBondContact O-N 3.34Å; L32-L129 HydrophobicContact CB-CB 4.49Å; L32-L129 HydrophobicContact CB-CD2 4.26Å; L32-L129 WeakPolarHBondContact CD1-O 3.45Å; L32-W132 HydrophobicContact CD1-CB 4.18Å; L32-P133 HydrophobicContact CD1-CG 3.89Å; L32-I172 HydrophobicContact CD2-CD1 3.44Å; L32-I172 VanDerWaalsContact CD2-CD1 3.44Å; L32-I172 HydrophobicContact CD2-CG2 4.15Å; L32-V175 HydrophobicContact CD2-CG2 3.51Å; L32-V175 HydrophobicContact CG-CG2 4.38Å
33V97.3Very high97Very high0 Ų029 Ų290%015%0.146CC..Hα-helixtrans-62.2-47176.2169.80000111.3R29 V30 A35 V36 K37 C81 L84 L93 L129 M130R29-V33 WeakPolarHBondContact O-CG2 3.48Å; R29-V33 PolarHBondContact O-N 3.46Å; R29-V33 VanDerWaalsContact O-N 3.1Å; V30-V33 PolarHBondContact O-N 2.79Å; V33-A35 PolarHBondContact O-N 2.9Å; V33-V36 PolarHBondContact O-N 3.29Å; V33-K37 HydrophobicContact CG1-CD 3.63Å; V33-K37 HydrophobicContact CG1-CG 4.42Å; V33-K37 VanDerWaalsContact O-CB 3.26Å; V33-K37 WeakPolarHBondContact O-CB 3.45Å; V33-K37 WeakPolarHBondContact O-CG 3.3Å; V33-K37 PolarHBondContact O-N 3.23Å; V33-C81 HydrophobicContact CG2-CB 3.99Å; V33-L84 HydrophobicContact CG1-CB 4.07Å; V33-L84 HydrophobicContact CG1-CD1 4.36Å; V33-L93 HydrophobicContact CB-CD1 4.42Å; V33-L93 HydrophobicContact CG1-CD1 4.08Å; V33-L93 HydrophobicContact CG2-CD1 3.84Å; V33-L129 HydrophobicContact CG2-CD1 4.26Å; V33-M130 HydrophobicContact CG2-CE 3.69Å
34L97.4Very high97.1Very high0 Ų029.1 Ų29.10%015%0.147CC..Hα-helixtrans-59.1-45.8177.7-68.2168000111.3V16 L18 V30 L31 K38 I39 F41 L84V16-L34 HydrophobicContact CB-CD2 4.17Å; V16-L34 HydrophobicContact CG1-CD2 3.9Å; L18-L34 HydrophobicContact CB-CD1 4.35Å; L18-L34 HydrophobicContact CD2-CD1 4.42Å; V30-L34 HydrophobicContact CG1-CD1 3.95Å; V30-L34 HydrophobicContact CG1-CG 4.29Å; V30-L34 VanDerWaalsContact O-CG 3.27Å; V30-L34 WeakPolarHBondContact O-CG 3.49Å; V30-L34 PolarHBondContact O-N 2.99Å; L31-L34 PolarHBondContact O-N 3.5Å; L34-K38 WeakPolarHBondContact O-CA 3.34Å; L34-K38 PolarHBondContact O-N 3.38Å; L34-I39 HydrophobicContact CD2-CB 3.87Å; L34-I39 HydrophobicContact CD2-CD1 4.12Å; L34-I39 HydrophobicContact CD2-CG2 3.8Å; L34-I39 PolarHBondContact O-N 3.45Å; L34-F41 HydrophobicContact CB-CD1 3.71Å; L34-F41 HydrophobicContact CB-CE1 3.89Å; L34-F41 HydrophobicContact CB-CG 4.14Å; L34-F41 HydrophobicContact CB-CZ 4.48Å; L34-F41 HydrophobicContact CD1-CB 3.92Å; L34-F41 HydrophobicContact CD1-CD1 4.23Å; L34-F41 HydrophobicContact CD1-CD2 3.9Å; L34-F41 HydrophobicContact CD1-CE2 4.46Å; L34-F41 HydrophobicContact CD1-CG 3.77Å; L34-F41 HydrophobicContact CD2-CB 4.27Å; L34-F41 HydrophobicContact CG-CD1 4.43Å; L34-F41 HydrophobicContact CG-CG 4.4Å; L34-L84 HydrophobicContact CD2-CD1 3.87Å; L34-L84 HydrophobicContact CD2-CD2 4.48Å; L34-L84 HydrophobicContact CG-CD1 4.23Å
35A96.1Very high97.1Very high15 Ų1529.9 Ų29.912%0.12415%0.151CC..Hα-helixtrans-65.7-49.3179.300000112.5L31 L32 V33 K37 K38 E171 V175L31-A35 VanDerWaalsContact O-CB 3.31Å; L31-A35 WeakPolarHBondContact O-CB 3.48Å; L31-A35 PolarHBondContact O-N 2.98Å; L32-A35 PolarHBondContact O-N 3.22Å; V33-A35 PolarHBondContact O-N 2.9Å; A35-K37 VanDerWaalsContact C-N 3.32Å; A35-K37 PolarHBondContact O-N 3.03Å; A35-K38 WeakPolarHBondContact O-CD 3.38Å; A35-K38 PolarHBondContact O-N 3.44Å; A35-E171 HydrophobicContact CB-CB 4.27Å; A35-V175 HydrophobicContact CB-CG1 4.18Å
36V94.5Very high97Very high2 Ų228.6 Ų28.61%0.01214%0.142CC..Hα-helixtrans-65.7-35.9-177.7171.80000112.4L32 V33 K38 K91 L93 M124 L129 E171 I172L32-V36 VanDerWaalsContact O-CB 3.31Å; L32-V36 WeakPolarHBondContact O-CB 3.35Å; L32-V36 WeakPolarHBondContact O-CG2 3.48Å; L32-V36 PolarHBondContact O-N 3.34Å; V33-V36 PolarHBondContact O-N 3.29Å; V36-K38 VanDerWaalsContact C-N 3.33Å; V36-K91 WeakPolarHBondContact O-CD 3.18Å; V36-K91 PolarHBondContact O-NZ 3.36Å; V36-L93 HydrophobicContact CG1-CD2 3.9Å; V36-M124 HydrophobicContact CB-CE 4.41Å; V36-M124 HydrophobicContact CG1-CE 4Å; V36-M124 HydrophobicContact CG2-CE 3.44Å; V36-M124 VanDerWaalsContact CG2-CE 3.44Å; V36-L129 HydrophobicContact CB-CD1 4.27Å; V36-L129 HydrophobicContact CG1-CD1 4.39Å; V36-L129 HydrophobicContact CG2-CD1 4.14Å; V36-L129 HydrophobicContact CG2-CD2 4.04Å; V36-E171 HydrophobicContact CG2-CB 3.9Å; V36-I172 HydrophobicContact CG2-CD1 4.07Å
37K95.1Very high96.9Very high0 Ų024.5 Ų24.50%013%0.128CC..THydrogen-bonded Turntrans-86.1-2.7175.8-62177.571.280.30112.5V33 A35 I39 L84 D85 F88 H90 K91 L93V33-K37 HydrophobicContact CG1-CD 3.63Å; V33-K37 HydrophobicContact CG1-CG 4.42Å; V33-K37 VanDerWaalsContact O-CB 3.26Å; V33-K37 WeakPolarHBondContact O-CB 3.45Å; V33-K37 WeakPolarHBondContact O-CG 3.3Å; V33-K37 PolarHBondContact O-N 3.23Å; A35-K37 VanDerWaalsContact C-N 3.32Å; A35-K37 PolarHBondContact O-N 3.03Å; K37-I39 HydrophobicContact CB-CD1 3.75Å; K37-I39 HydrophobicContact CB-CG1 3.79Å; K37-I39 HydrophobicContact CD-CD1 4.01Å; K37-I39 PolarHBondContact O-N 2.96Å; K37-L84 WeakPolarHBondContact CE-O 3.31Å; K37-D85 PolarHBondContact NZ-O 3.49Å; K37-D85 IonicContact NZ-OD1 3.5Å; K37-D85 PolarHBondContact NZ-OD1 2.88Å; K37-F88 WeakPolarHBondContact CE-O 3.46Å; K37-F88 PolarHBondContact NZ-O 3.02Å; K37-H90 PolarHBondContact O-CE1 2.98Å; K37-H90 PolarHBondContact O-NE2 3.19Å; K37-K91 PolarHBondContact NZ-O 2.96Å; K37-L93 HydrophobicContact CD-CD1 4.06Å; K37-L93 HydrophobicContact CD-CG 4.43Å; K37-L93 HydrophobicContact CG-CD1 4.28Å; K37-L93 HydrophobicContact CG-CG 4.44Å
38K95.3Very high96.7Very high125 Ų12526.5 Ų26.554%0.54314%0.139SC..THydrogen-bonded Turntrans53.735.7-178.8-52.4-68.7179.4-178.90112.7L34 A35 V36 E171L34-K38 WeakPolarHBondContact O-CA 3.34Å; L34-K38 PolarHBondContact O-N 3.38Å; A35-K38 WeakPolarHBondContact O-CD 3.38Å; A35-K38 PolarHBondContact O-N 3.44Å; V36-K38 VanDerWaalsContact C-N 3.33Å; K38-E171 WeakPolarHBondContact CE-OE1 3.31Å; K38-E171 IonicContact NZ-OE1 2.76Å; K38-E171 PolarHBondContact NZ-OE1 3.35Å
39I96.6Very high96.5Very high6 Ų631.7 Ų31.73%0.03117%0.166CC..  trans-76.7128176.8-63.2165.2000107.2V16 L34 K37 F41 F88V16-I39 HydrophobicContact CB-CG2 4.21Å; V16-I39 HydrophobicContact CG2-CG2 3.55Å; L34-I39 HydrophobicContact CD2-CB 3.87Å; L34-I39 HydrophobicContact CD2-CD1 4.12Å; L34-I39 HydrophobicContact CD2-CG2 3.8Å; L34-I39 PolarHBondContact O-N 3.45Å; K37-I39 HydrophobicContact CB-CD1 3.75Å; K37-I39 HydrophobicContact CB-CG1 3.79Å; K37-I39 HydrophobicContact CD-CD1 4.01Å; K37-I39 PolarHBondContact O-N 2.96Å; I39-F41 VanDerWaalsContact O-CD1 3.28Å; I39-F41 WeakPolarHBondContact O-CD1 3.33Å; I39-F41 PolarHBondContact O-N 2.89Å; I39-F88 HydrophobicContact CD1-CB 3.88Å; I39-F88 HydrophobicContact CD1-CD1 4.42Å; I39-F88 HydrophobicContact CD1-CD2 3.54Å; I39-F88 HydrophobicContact CD1-CE2 4.15Å; I39-F88 HydrophobicContact CD1-CG 3.7Å; I39-F88 HydrophobicContact CG1-CB 4.08Å; I39-F88 HydrophobicContact CG1-CD1 4.07Å; I39-F88 HydrophobicContact CG1-CD2 4.08Å; I39-F88 HydrophobicContact CG1-CG 3.82Å; I39-F88 HydrophobicContact CG2-CD1 4.41Å; I39-F88 HydrophobicContact CG2-CD2 4.45Å; I39-F88 HydrophobicContact CG2-CE1 4.05Å; I39-F88 HydrophobicContact CG2-CE2 4.1Å; I39-F88 HydrophobicContact CG2-CZ 3.88Å
40P96.6Very high96.3Very high81 Ų8134.3 Ų34.353%0.52618%0.182SC..  trans-64.4127.4174.7-23.135000111.4L15 V16L15-P40 HydrophobicContact CD2-CB 3.5Å; L15-P40 VanDerWaalsContact CD2-CB 3.5Å; V16-P40 PolarHBondContact N-O 2.88Å
41F98Very high96.2Very high66 Ų6638.4 Ų38.429%0.28920%0.2SC..EExtended strand (participates in β ladder)trans-145.3161.4-176.272.2-83.5000113.5V16 L31 L34 I39 V43V16-F41 HydrophobicContact CB-CB 4.22Å; V16-F41 CarbonylContact O-C 3.28Å; V16-F41 WeakPolarHBondContact O-CA 3.34Å; V16-F41 WeakPolarHBondContact O-CB 3.39Å; L31-F41 HydrophobicContact CD2-CD2 4.39Å; L31-F41 HydrophobicContact CD2-CE2 3.54Å; L31-F41 HydrophobicContact CD2-CZ 4.07Å; L34-F41 HydrophobicContact CB-CD1 3.71Å; L34-F41 HydrophobicContact CB-CE1 3.89Å; L34-F41 HydrophobicContact CB-CG 4.14Å; L34-F41 HydrophobicContact CB-CZ 4.48Å; L34-F41 HydrophobicContact CD1-CB 3.92Å; L34-F41 HydrophobicContact CD1-CD1 4.23Å; L34-F41 HydrophobicContact CD1-CD2 3.9Å; L34-F41 HydrophobicContact CD1-CE2 4.46Å; L34-F41 HydrophobicContact CD1-CG 3.77Å; L34-F41 HydrophobicContact CD2-CB 4.27Å; L34-F41 HydrophobicContact CG-CD1 4.43Å; L34-F41 HydrophobicContact CG-CG 4.4Å; I39-F41 VanDerWaalsContact O-CD1 3.28Å; I39-F41 WeakPolarHBondContact O-CD1 3.33Å; I39-F41 PolarHBondContact O-N 2.89Å; F41-V43 HydrophobicContact CD2-CG2 3.69Å; F41-V43 HydrophobicContact CE2-CG2 3.52Å
42D97.5Very high96.2Very high42 Ų4237.2 Ų37.223%0.22519%0.194CC..EExtended strand (participates in β ladder)trans-126.1161.9164.279-31.8000111.3L15 V16 R17 L18L15-D42 HydrophobicContact CD1-CB 4.38Å; V16-D42 PolarHBondContact O-N 3.23Å; R17-D42 VanDerWaalsContact CA-OD1 3.22Å; R17-D42 WeakPolarHBondContact CA-OD1 3.41Å; R17-D42 VanDerWaalsContact CB-OD1 3.25Å; R17-D42 WeakPolarHBondContact CB-OD1 3.44Å; R17-D42 WeakPolarHBondContact CG-OD1 3.33Å; R17-D42 IonicContact CZ-OD2 2.79Å; R17-D42 VanDerWaalsContact CZ-OD2 3.26Å; R17-D42 IonicContact NE-OD1 3.81Å; R17-D42 PolarHBondContact NE-OD1 2.81Å; R17-D42 VanDerWaalsContact NE-OD1 3.13Å; R17-D42 IonicContact NE-OD2 2.68Å; R17-D42 PolarHBondContact NE-OD2 3.5Å; R17-D42 IonicContact NH2-OD1 2.79Å; R17-D42 IonicContact NH2-OD2 2.66Å; R17-D42 PolarHBondContact NH2-OD2 3.33Å; L18-D42 PolarHBondContact N-O 3.08Å
43V97.2Very high96.1Very high54 Ų5442.5 Ų42.533%0.32722%0.222SC..EExtended strand (participates in β ladder)trans-126.3125.2-174.4-174.10000110.6L18 L31 F41L18-V43 WeakPolarHBondContact O-CA 3.49Å; L31-V43 HydrophobicContact CD2-CG2 3.84Å; F41-V43 HydrophobicContact CD2-CG2 3.69Å; F41-V43 HydrophobicContact CE2-CG2 3.52Å
44V97.2Very high96.1Very high5 Ų543.5 Ų43.53%0.0323%0.226CC..EExtended strand (participates in β ladder)trans-107.2104.6170.4178.40000108.3F2 P9 R17 L18 Y19 S20 W54F2-V44 HydrophobicContact CD2-CG1 3.58Å; F2-V44 HydrophobicContact CE2-CG1 3.88Å; F2-V44 HydrophobicContact CG-CG1 4.19Å; P9-V44 HydrophobicContact CG-CG1 4.25Å; P9-V44 HydrophobicContact CG-CG2 4.39Å; R17-V44 HydrophobicContact CG-CG2 4.32Å; L18-V44 PolarHBondContact O-N 3.3Å; Y19-V44 WeakPolarHBondContact CA-O 3.25Å; Y19-V44 HydrophobicContact CD1-CB 3.81Å; Y19-V44 HydrophobicContact CD1-CG1 3.95Å; Y19-V44 HydrophobicContact CD1-CG2 4.45Å; Y19-V44 HydrophobicContact CE1-CB 4.12Å; Y19-V44 HydrophobicContact CE1-CG1 4.2Å; Y19-V44 HydrophobicContact CE1-CG2 4.3Å; S20-V44 PolarHBondContact N-O 3.09Å; V44-W54 HydrophobicContact CG1-CH2 3.91Å; V44-W54 HydrophobicContact CG1-CZ2 4.38Å
45N97Very high96.1Very high28 Ų2843.5 Ų43.515%0.1523%0.226CC..EExtended strand (participates in β ladder)trans-83.5120.4178.2-73.4-69.8000110.8M1 F2 S20 R22M1-N45 CarbonylContact C-O 3.31Å; M1-N45 WeakPolarHBondContact CA-O 3.25Å; M1-N45 HydrophobicContact CB-CB 4.5Å; M1-N45 WeakPolarHBondContact CB-O 3.22Å; M1-N45 HydrophobicContact CG-CB 3.92Å; M1-N45 HydrophobicContact SD-CB 4.2Å; F2-N45 PolarHBondContact N-O 3.48Å; S20-N45 CarbonylContact O-C 3.12Å; S20-N45 WeakPolarHBondContact O-CA 3.26Å; R22-N45 PolarHBondContact N-OD1 2.9Å; R22-N45 VanDerWaalsContact N-OD1 3.15Å
46C96.6Very high96.1Very high0 Ų045.9 Ų45.90%024%0.241CC..BIsolated β-bridgetrans-100.1137.3-177.2-53.70000110.7S20 L48 P52S20-C46 PolarHBondContact O-N 3.13Å; C46-L48 HydrophobicContact CB-CD2 4.38Å; C46-L48 PolarHBondContact O-N 2.82Å; C46-P52 HydrophobicContact CB-CG 4.18Å
47N94.8Very high96.2Very high30 Ų3052.6 Ų52.616%0.1628%0.276CS..  trans-73.1115.8170.6-177-30.3000108.7M1 F2 L49 N50 K51 Y196M1-N47 HydrophobicContact CB-CB 4.17Å; F2-N47 WeakPolarHBondContact O-CB 3.05Å; F2-N47 PolarHBondContact O-N 2.76Å; N47-L49 WeakPolarHBondContact OD1-CB 3.15Å; N47-L49 PolarHBondContact OD1-N 2.98Å; N47-N50 CarbonylContact O-C 3.59Å; N47-N50 VanDerWaalsContact O-C 3.3Å; N47-N50 PolarHBondContact OD1-N 2.88Å; N47-K51 WeakPolarHBondContact O-CA 3.41Å; N47-K51 PolarHBondContact O-N 2.9Å; N47-Y196 HydrophobicContact CB-CD2 4.49Å; N47-Y196 VanDerWaalsContact OD1-CE2 3.31Å; N47-Y196 WeakPolarHBondContact OD1-CE2 3.47Å
48L94.9Very high96.3Very high43 Ų4353.6 Ų53.623%0.22528%0.282CS..SBendtrans-86-8.8-175.8-58.2-177.8000114.2M21 C46 K51 L55 V64M21-L48 HydrophobicContact CB-CD1 3.64Å; M21-L48 HydrophobicContact CB-CG 3.87Å; M21-L48 HydrophobicContact CE-CD1 4.11Å; M21-L48 HydrophobicContact CG-CD1 3.85Å; M21-L48 HydrophobicContact CG-CG 3.97Å; C46-L48 HydrophobicContact CB-CD2 4.38Å; C46-L48 PolarHBondContact O-N 2.82Å; L48-K51 WeakPolarHBondContact O-CE 3.38Å; L48-L55 HydrophobicContact CD2-CD2 4.43Å; L48-V64 HydrophobicContact CD1-CG2 3.79Å; L48-V64 HydrophobicContact CD2-CG1 4.15Å; L48-V64 HydrophobicContact CD2-CG2 4.07Å; L48-V64 HydrophobicContact CG-CG2 4.48Å
49L92.9Very high96.4Very high115 Ų11547.8 Ų47.860%0.60226%0.257SS*.SBendtrans-85.2-44.2171.4-174.368.9000110.5N47 Y196N47-L49 WeakPolarHBondContact OD1-CB 3.15Å; N47-L49 PolarHBondContact OD1-N 2.98Å; L49-Y196 HydrophobicContact CB-CE2 4.14Å
50N94.3Very high96.4Very high82 Ų8252 Ų5244%0.43929%0.285SS..SBendtrans-117.680.1175.6-172.432000109.7P3 A4 N47P3-N50 CarbonylContact C-O 3.51Å; P3-N50 VanDerWaalsContact CA-O 3.26Å; P3-N50 WeakPolarHBondContact CA-O 3.46Å; A4-N50 WeakPolarHBondContact CB-OD1 3.28Å; A4-N50 PolarHBondContact N-O 2.83Å; N47-N50 CarbonylContact O-C 3.59Å; N47-N50 VanDerWaalsContact O-C 3.3Å; N47-N50 PolarHBondContact OD1-N 2.88Å
51K95.9Very high96.3Very high86 Ų8652.7 Ų52.737%0.37428%0.283SS..  trans-69.3139.9-167.5-63.5178.6-174.3-175.70112.6A4 N47 L48 L55 G62A4-K51 VanDerWaalsContact CA-O 3.24Å; A4-K51 WeakPolarHBondContact CA-O 3.36Å; A4-K51 VanDerWaalsContact CB-O 3.24Å; A4-K51 WeakPolarHBondContact CB-O 3.39Å; A4-K51 PolarHBondContact N-O 3.18Å; N47-K51 WeakPolarHBondContact O-CA 3.41Å; N47-K51 PolarHBondContact O-N 2.9Å; L48-K51 WeakPolarHBondContact O-CE 3.38Å; K51-L55 HydrophobicContact CB-CD2 4.38Å; K51-L55 HydrophobicContact CD-CD2 4.3Å; K51-L55 HydrophobicContact CG-CD2 4.4Å; K51-G62 WeakPolarHBondContact CE-O 3.49Å; K51-G62 PolarHBondContact NZ-O 3.49Å
52P97.1Very high96.2Very high2 Ų249.6 Ų49.61%0.01327%0.27CS..  trans-55.9140.1166.5-21.131.3000111.6F2 P3 C46 W54 L55F2-P52 HydrophobicContact CB-CG 3.98Å; F2-P52 WeakPolarHBondContact O-CD 3.31Å; F2-P52 VanDerWaalsContact O-CG 3.23Å; F2-P52 WeakPolarHBondContact O-CG 3.47Å; P3-P52 WeakPolarHBondContact O-CA 3.35Å; C46-P52 HydrophobicContact CB-CG 4.18Å; P52-W54 VanDerWaalsContact C-N 3.28Å; P52-W54 HydrophobicContact CB-CD2 3.84Å; P52-W54 HydrophobicContact CB-CE3 4.42Å; P52-W54 HydrophobicContact CB-CG 4.3Å; P52-W54 HydrophobicContact CB-CH2 4.09Å; P52-W54 HydrophobicContact CB-CZ2 3.48Å; P52-W54 VanDerWaalsContact CB-CZ2 3.48Å; P52-W54 HydrophobicContact CG-CH2 4.08Å; P52-W54 HydrophobicContact CG-CZ2 3.7Å; P52-W54 PolarHBondContact O-N 3Å; P52-L55 VanDerWaalsContact O-CB 3.25Å; P52-L55 WeakPolarHBondContact O-CB 3.28Å; P52-L55 PolarHBondContact O-N 2.65Å; P52-L55 VanDerWaalsContact O-N 3.09Å
53D95.6Very high96.2Very high111 Ų11153.4 Ų53.459%0.59429%0.285SS*.THydrogen-bonded Turntrans-63.4-36.9-174.5-57.5-56.2000112.1G5 L55G5-D53 WeakPolarHBondContact CA-OD2 3.39Å; G5-D53 PolarHBondContact N-OD2 2.97Å; D53-L55 PolarHBondContact O-N 2.76Å
54W96.8Very high96.2Very high21 Ų2151.6 Ų51.68%0.0827%0.274CS..THydrogen-bonded Turntrans-72-8.2178.551.2-101.5000114.3F2 E6 L8 Y19 V44 P52 C56 D57 L58F2-W54 HydrophobicContact CB-CZ2 4.35Å; E6-W54 PolarHBondContact O-NE1 3.13Å; L8-W54 HydrophobicContact CB-CB 4.39Å; L8-W54 HydrophobicContact CB-CD2 4.05Å; L8-W54 HydrophobicContact CB-CG 3.83Å; L8-W54 HydrophobicContact CD1-CD2 3.69Å; L8-W54 HydrophobicContact CD1-CE3 3.64Å; L8-W54 HydrophobicContact CD1-CG 4.34Å; L8-W54 HydrophobicContact CD1-CH2 4.07Å; L8-W54 HydrophobicContact CD1-CZ2 4.09Å; L8-W54 HydrophobicContact CD1-CZ3 3.85Å; L8-W54 HydrophobicContact CG-CD2 4.38Å; Y19-W54 AromaticContact CD1-CH2 3.67Å; Y19-W54 HydrophobicContact CD1-CH2 3.67Å; Y19-W54 AromaticContact CD1-CZ3 3.43Å; Y19-W54 HydrophobicContact CD1-CZ3 3.43Å; Y19-W54 VanDerWaalsContact CD1-CZ3 3.43Å; Y19-W54 HydrophobicContact CE1-CE3 4.33Å; Y19-W54 AromaticContact CE1-CH2 3.77Å; Y19-W54 HydrophobicContact CE1-CH2 3.77Å; Y19-W54 AromaticContact CE1-CZ3 3.47Å; Y19-W54 HydrophobicContact CE1-CZ3 3.47Å; Y19-W54 VanDerWaalsContact CE1-CZ3 3.47Å; Y19-W54 HydrophobicContact CG-CZ3 4.44Å; V44-W54 HydrophobicContact CG1-CH2 3.91Å; V44-W54 HydrophobicContact CG1-CZ2 4.38Å; P52-W54 VanDerWaalsContact C-N 3.28Å; P52-W54 HydrophobicContact CB-CD2 3.84Å; P52-W54 HydrophobicContact CB-CE3 4.42Å; P52-W54 HydrophobicContact CB-CG 4.3Å; P52-W54 HydrophobicContact CB-CH2 4.09Å; P52-W54 HydrophobicContact CB-CZ2 3.48Å; P52-W54 VanDerWaalsContact CB-CZ2 3.48Å; P52-W54 HydrophobicContact CG-CH2 4.08Å; P52-W54 HydrophobicContact CG-CZ2 3.7Å; P52-W54 PolarHBondContact O-N 3Å; W54-C56 VanDerWaalsContact C-N 3.29Å; W54-C56 PolarHBondContact O-N 3.3Å; W54-D57 WeakPolarHBondContact O-CB 3.43Å; W54-D57 PolarHBondContact O-N 3.06Å; W54-L58 HydrophobicContact CE3-CD1 3.78Å; W54-L58 HydrophobicContact CZ3-CD1 3.92Å; W54-L58 PolarHBondContact O-N 3.15Å
55L97.7Very high96.3Very high0 Ų051.6 Ų51.60%027%0.274CS..Hα-helixtrans-64.9-36.9-176.9-17268.1000111.5L48 K51 P52 D53 D57 L58 N59 V64 I66L48-L55 HydrophobicContact CD2-CD2 4.43Å; K51-L55 HydrophobicContact CB-CD2 4.38Å; K51-L55 HydrophobicContact CD-CD2 4.3Å; K51-L55 HydrophobicContact CG-CD2 4.4Å; P52-L55 VanDerWaalsContact O-CB 3.25Å; P52-L55 WeakPolarHBondContact O-CB 3.28Å; P52-L55 PolarHBondContact O-N 2.65Å; P52-L55 VanDerWaalsContact O-N 3.09Å; D53-L55 PolarHBondContact O-N 2.76Å; L55-D57 VanDerWaalsContact C-N 3.3Å; L55-D57 PolarHBondContact O-N 2.69Å; L55-L58 PolarHBondContact O-N 2.69Å; L55-N59 PolarHBondContact O-N 3.21Å; L55-V64 HydrophobicContact CD1-CG1 4.4Å; L55-I66 HydrophobicContact CD1-CD1 3.62Å; L55-I66 HydrophobicContact CG-CD1 4.41Å
56C96.4Very high96.4Very high65 Ų6550.2 Ų50.244%0.43927%0.267SS..Hα-helixtrans-70.9-25.6178.5-71.30000112.9W54 L58 N59 P60W54-C56 VanDerWaalsContact C-N 3.29Å; W54-C56 PolarHBondContact O-N 3.3Å; C56-L58 VanDerWaalsContact C-N 3.28Å; C56-L58 PolarHBondContact O-N 2.74Å; C56-N59 WeakPolarHBondContact CA-O 3.25Å; C56-N59 CarbonylContact O-C 3.49Å; C56-N59 VanDerWaalsContact O-C 3.28Å; C56-P60 WeakPolarHBondContact O-CA 3.46Å
57D96.6Very high96.5Very high142 Ų14250.2 Ų50.276%0.75927%0.267SS*.Hα-helixtrans-69.1-30.2174.8-59.1-29.6000111.5W54 L55W54-D57 WeakPolarHBondContact O-CB 3.43Å; W54-D57 PolarHBondContact O-N 3.06Å; L55-D57 VanDerWaalsContact C-N 3.3Å; L55-D57 PolarHBondContact O-N 2.69Å
58L97Very high96.6Very high22 Ų2250 Ų5012%0.11526%0.264CS..Hα-helixtrans-88.1-36.9177.9-64175.8000113Y19 W54 L55 C56 I66 V73Y19-L58 HydrophobicContact CD1-CD1 4.13Å; Y19-L58 HydrophobicContact CD2-CD1 3.98Å; Y19-L58 HydrophobicContact CE1-CD1 3.75Å; Y19-L58 HydrophobicContact CE2-CD1 3.61Å; Y19-L58 HydrophobicContact CG-CD1 4.22Å; Y19-L58 VanDerWaalsContact CZ-CD1 3.46Å; W54-L58 HydrophobicContact CE3-CD1 3.78Å; W54-L58 HydrophobicContact CZ3-CD1 3.92Å; W54-L58 PolarHBondContact O-N 3.15Å; L55-L58 PolarHBondContact O-N 2.69Å; C56-L58 VanDerWaalsContact C-N 3.28Å; C56-L58 PolarHBondContact O-N 2.74Å; L58-I66 HydrophobicContact CB-CD1 3.72Å; L58-I66 HydrophobicContact CB-CG2 4.21Å; L58-V73 HydrophobicContact CB-CG1 4.44Å; L58-V73 HydrophobicContact CD2-CG1 4.43Å; L58-V73 HydrophobicContact CD2-CG2 4.28Å; L58-V73 WeakPolarHBondContact O-CG1 3.5Å
59N97.5Very high96.8Very high2 Ų249.1 Ų49.11%0.01126%0.258CS..  trans-139.6111174.5175.23.2000108.8L55 C56 L61 G62 K63 I66 Y75L55-N59 PolarHBondContact O-N 3.21Å; C56-N59 WeakPolarHBondContact CA-O 3.25Å; C56-N59 CarbonylContact O-C 3.49Å; C56-N59 VanDerWaalsContact O-C 3.28Å; N59-L61 PolarHBondContact O-N 3.35Å; N59-L61 WeakPolarHBondContact OD1-CB 3.49Å; N59-L61 PolarHBondContact OD1-N 2.93Å; N59-G62 PolarHBondContact O-N 2.98Å; N59-K63 PolarHBondContact ND2-O 2.92Å; N59-I66 HydrophobicContact CB-CD1 3.36Å; N59-I66 HydrophobicContact CB-CG1 3.72Å; N59-Y75 HydrophobicContact CB-CD1 4.16Å; N59-Y75 HydrophobicContact CB-CG 4.19Å
60P96.2Very high96.9Very high96 Ų9649.7 Ų49.762%0.62325%0.252SS*.THydrogen-bonded Turntrans-55.9-21-178.9-26.534.4000114.7C56 G62C56-P60 WeakPolarHBondContact O-CA 3.46Å; P60-G62 VanDerWaalsContact C-N 3.26Å; P60-G62 PolarHBondContact O-N 3.4Å
61L95.9Very high96.9Very high94 Ų9452.3 Ų52.349%0.49227%0.267SS..THydrogen-bonded Turntrans-77.7-10.5175.7-56.1179.9000113.3N59 K63N59-L61 PolarHBondContact O-N 3.35Å; N59-L61 WeakPolarHBondContact OD1-CB 3.49Å; N59-L61 PolarHBondContact OD1-N 2.93Å; L61-K63 VanDerWaalsContact C-N 3.26Å; L61-K63 HydrophobicContact CB-CB 4.4Å; L61-K63 HydrophobicContact CB-CD 4.23Å; L61-K63 HydrophobicContact CB-CG 4.18Å; L61-K63 PolarHBondContact O-N 3Å
62G95.6Very high97Very high2 Ų251.1 Ų51.12%0.02126%0.263CS..  trans58.437.5-174.700000112.4K51 N59 P60K51-G62 WeakPolarHBondContact CE-O 3.49Å; K51-G62 PolarHBondContact NZ-O 3.49Å; N59-G62 PolarHBondContact O-N 2.98Å; P60-G62 VanDerWaalsContact C-N 3.26Å; P60-G62 PolarHBondContact O-N 3.4Å
63K96.9Very high97Very high122 Ų12253.7 Ų53.753%0.5328%0.279SS..  trans-119.5158.1-177.4-69.3-179.6-175.5176.70111.3N59 L61 I66N59-K63 PolarHBondContact ND2-O 2.92Å; L61-K63 VanDerWaalsContact C-N 3.26Å; L61-K63 HydrophobicContact CB-CB 4.4Å; L61-K63 HydrophobicContact CB-CD 4.23Å; L61-K63 HydrophobicContact CB-CG 4.18Å; L61-K63 PolarHBondContact O-N 3Å; K63-I66 WeakPolarHBondContact O-CG1 3.39Å
64V98.3Very high97.2Very high15 Ų1549.7 Ų49.79%0.09126%0.258CS..SBendtrans-110.4154.9169.3-640000109.5M21 C24 L48 L55M21-V64 HydrophobicContact CB-CG2 3.97Å; C24-V64 HydrophobicContact CB-CG2 4.38Å; L48-V64 HydrophobicContact CD1-CG2 3.79Å; L48-V64 HydrophobicContact CD2-CG1 4.15Å; L48-V64 HydrophobicContact CD2-CG2 4.07Å; L48-V64 HydrophobicContact CG-CG2 4.48Å; L55-V64 HydrophobicContact CD1-CG1 4.4Å
65P98.8Very high97.2Very high5 Ų553.2 Ų53.23%0.03227%0.272CS..  cis-75.8154.90.430.2-35.1000114.3L18 Y19 V30 I80L18-P65 HydrophobicContact CD1-CB 3.72Å; Y19-P65 WeakPolarHBondContact O-CA 3.27Å; V30-P65 HydrophobicContact CG2-CB 3.91Å; V30-P65 HydrophobicContact CG2-CG 3.81Å; P65-I80 HydrophobicContact CB-CD1 3.95Å; P65-I80 HydrophobicContact CG-CD1 3.84Å
66I98.7Very high97.2Very high0 Ų057.4 Ų57.40%029%0.292CS..EExtended strand (participates in β ladder)trans-130.4136.4163.1-42.9172.2000106Y19 L55 L58 N59 K63 V73 V74Y19-I66 HydrophobicContact CD2-CB 4.09Å; Y19-I66 HydrophobicContact CD2-CG2 4.42Å; Y19-I66 HydrophobicContact CG-CB 4.46Å; Y19-I66 PolarHBondContact N-O 3.35Å; Y19-I66 PolarHBondContact O-N 3.28Å; L55-I66 HydrophobicContact CD1-CD1 3.62Å; L55-I66 HydrophobicContact CG-CD1 4.41Å; L58-I66 HydrophobicContact CB-CD1 3.72Å; L58-I66 HydrophobicContact CB-CG2 4.21Å; N59-I66 HydrophobicContact CB-CD1 3.36Å; N59-I66 HydrophobicContact CB-CG1 3.72Å; K63-I66 WeakPolarHBondContact O-CG1 3.39Å; I66-V73 HydrophobicContact CG2-CG1 3.61Å; I66-V74 WeakPolarHBondContact CA-O 3.5Å
67V98.7Very high97.3Very high0 Ų054.6 Ų54.60%027%0.273CS..EExtended strand (participates in β ladder)trans-113.4134170.2175.70000109.8V16 R17 L18 V30 V73 V74 I80 W83V16-V67 HydrophobicContact CG1-CG1 3.32Å; R17-V67 CarbonylContact O-C 3.5Å; R17-V67 VanDerWaalsContact O-CA 3.3Å; R17-V67 WeakPolarHBondContact O-CA 3.44Å; L18-V67 HydrophobicContact CD1-CG2 3.92Å; V30-V67 HydrophobicContact CG1-CG2 3.63Å; V67-V73 WeakPolarHBondContact O-CA 3.2Å; V67-V74 PolarHBondContact N-O 3.19Å; V67-V74 PolarHBondContact O-N 3.25Å; V67-I80 HydrophobicContact CB-CG1 4.48Å; V67-I80 HydrophobicContact CB-CG2 3.97Å; V67-I80 HydrophobicContact CG2-CD1 4.22Å; V67-I80 HydrophobicContact CG2-CG1 4.38Å; V67-I80 HydrophobicContact CG2-CG2 3.37Å; V67-W83 HydrophobicContact CB-CZ3 4.25Å; V67-W83 HydrophobicContact CG1-CH2 4.46Å; V67-W83 HydrophobicContact CG1-CZ3 3.72Å
68Q98Very high97.3Very high24 Ų2450.3 Ų50.311%0.11225%0.25CC..EExtended strand (participates in β ladder)trans-118.4132.1169-174.3169.32400109.5R17 Y19 M72 V73R17-Q68 PolarHBondContact N-O 3.48Å; R17-Q68 PolarHBondContact O-N 3.35Å; Y19-Q68 HydrophobicContact CE2-CB 3.97Å; Y19-Q68 PolarHBondContact OH-OE1 3.17Å; Q68-M72 VanDerWaalsContact CA-O 3.27Å; Q68-M72 WeakPolarHBondContact CA-O 3.32Å; Q68-V73 HydrophobicContact CB-CG2 4.32Å; Q68-V73 HydrophobicContact CG-CG2 3.91Å
69Y97.9Very high97.4Very high25 Ų2554.1 Ų54.110%0.09827%0.269CS..EExtended strand (participates in β ladder)trans-141.9116.8172-177.2-124.9000108.6D13 V16 D71 M72 M87 F88D13-Y69 WeakPolarHBondContact O-CE2 3.41Å; V16-Y69 HydrophobicContact CB-CD2 4.44Å; V16-Y69 HydrophobicContact CG2-CD2 3.68Å; V16-Y69 HydrophobicContact CG2-CE2 4.19Å; V16-Y69 HydrophobicContact CG2-CG 3.94Å; Y69-D71 PolarHBondContact O-N 2.84Å; Y69-M72 HydrophobicContact CD1-CE 4.07Å; Y69-M72 PolarHBondContact N-O 3.39Å; Y69-M72 WeakPolarHBondContact O-CB 3.37Å; Y69-M72 VanDerWaalsContact O-CE 3.28Å; Y69-M72 WeakPolarHBondContact O-CE 3.31Å; Y69-M72 PolarHBondContact O-N 3.31Å; Y69-M72 VanDerWaalsContact O-N 3.08Å; Y69-M87 HydrophobicContact CD1-CE 3.61Å; Y69-M87 HydrophobicContact CD1-SD 3.9Å; Y69-M87 HydrophobicContact CE1-CE 3.59Å; Y69-M87 HydrophobicContact CE1-SD 4.27Å; Y69-F88 HydrophobicContact CD1-CZ 4.32Å; Y69-F88 AromaticContact CE1-CZ 3.96Å; Y69-F88 HydrophobicContact CE1-CZ 3.96Å
70R95.1Very high97.4Very high127 Ų12754 Ų5448%0.47927%0.268SS..THydrogen-bonded Turntrans55.3-127.6-168-51.7175.9-179.8-165.4-0.9110.2R11 M72R11-R70 PolarHBondContact NH1-O 3.17Å; R11-R70 PolarHBondContact NH2-O 3.02Å; R70-M72 HydrophobicContact CB-CE 4.46Å
71D95.3Very high97.5Very high138 Ų13849.4 Ų49.474%0.73824%0.239SC*.THydrogen-bonded Turntrans-82.4-8.3177.960-34.8000114Y69Y69-D71 PolarHBondContact O-N 2.84Å
72M97.2Very high97.6Very high60 Ų6047 Ų4730%0.29623%0.225SC..EExtended strand (participates in β ladder)trans-88.1135.3-177.9-64163.6-71.800111.6Q68 Y69 R70 W83 M87Q68-M72 VanDerWaalsContact CA-O 3.27Å; Q68-M72 WeakPolarHBondContact CA-O 3.32Å; Y69-M72 HydrophobicContact CD1-CE 4.07Å; Y69-M72 PolarHBondContact N-O 3.39Å; Y69-M72 WeakPolarHBondContact O-CB 3.37Å; Y69-M72 VanDerWaalsContact O-CE 3.28Å; Y69-M72 WeakPolarHBondContact O-CE 3.31Å; Y69-M72 PolarHBondContact O-N 3.31Å; Y69-M72 VanDerWaalsContact O-N 3.08Å; R70-M72 HydrophobicContact CB-CE 4.46Å; M72-W83 HydrophobicContact CB-CH2 4.26Å; M72-W83 HydrophobicContact CB-CZ2 3.97Å; M72-W83 HydrophobicContact CE-CZ2 4.25Å; M72-W83 HydrophobicContact SD-CZ2 3.86Å; M72-M87 HydrophobicContact CE-CE 3.62Å; M72-M87 HydrophobicContact CE-SD 4.36Å; M72-M87 HydrophobicContact SD-CE 4.35Å
73V97.8Very high97.7Very high56 Ų5649.4 Ų49.434%0.33923%0.233SC..EExtended strand (participates in β ladder)trans-126.5127.6173-177.60000108.7L58 I66 V67 Q68L58-V73 HydrophobicContact CB-CG1 4.44Å; L58-V73 HydrophobicContact CD2-CG1 4.43Å; L58-V73 HydrophobicContact CD2-CG2 4.28Å; L58-V73 WeakPolarHBondContact O-CG1 3.5Å; I66-V73 HydrophobicContact CG2-CG1 3.61Å; V67-V73 WeakPolarHBondContact O-CA 3.2Å; Q68-V73 HydrophobicContact CB-CG2 4.32Å; Q68-V73 HydrophobicContact CG-CG2 3.91Å
74V98.5Very high97.7Very high27 Ų2743.6 Ų43.616%0.16421%0.208CC..EExtended strand (participates in β ladder)trans-132135.1-179.5-171.60000109.2I66 V67 I79 I80 W83I66-V74 WeakPolarHBondContact CA-O 3.5Å; V67-V74 PolarHBondContact N-O 3.19Å; V67-V74 PolarHBondContact O-N 3.25Å; V74-I79 HydrophobicContact CG1-CG2 3.97Å; V74-I80 HydrophobicContact CB-CG1 4.14Å; V74-I80 HydrophobicContact CG1-CG1 3.84Å; V74-I80 WeakPolarHBondContact O-CD1 3.45Å; V74-I80 WeakPolarHBondContact O-CG1 3.47Å; V74-W83 HydrophobicContact CB-CE3 4.07Å; V74-W83 HydrophobicContact CB-CZ3 4.26Å; V74-W83 HydrophobicContact CG2-CD2 3.78Å; V74-W83 HydrophobicContact CG2-CE3 3.69Å; V74-W83 HydrophobicContact CG2-CG 4.39Å; V74-W83 HydrophobicContact CG2-CH2 4.08Å; V74-W83 HydrophobicContact CG2-CZ2 4.2Å; V74-W83 HydrophobicContact CG2-CZ3 3.84Å
75Y98.1Very high97.7Very high96 Ų9643 Ų4338%0.37620%0.204SC..EExtended strand (participates in β ladder)trans-123.1175.6173.154.2-95000110.4N59N59-Y75 HydrophobicContact CB-CD1 4.16Å; N59-Y75 HydrophobicContact CB-CG 4.19Å
76E97.2Very high97.5Very high87 Ų8747.1 Ų47.141%0.40722%0.223SC..SBendtrans71.5115.4-165.7-61.9-57.714200114.2L78 I79 I80E76-L78 PolarHBondContact O-N 3.21Å; E76-I79 HydrophobicContact CB-CB 4.17Å; E76-I79 HydrophobicContact CB-CD1 3.9Å; E76-I79 HydrophobicContact CB-CG1 4.01Å; E76-I79 HydrophobicContact CG-CD1 4.32Å; E76-I79 PolarHBondContact O-N 3.15Å; E76-I79 VanDerWaalsContact O-N 3.08Å; E76-I80 WeakPolarHBondContact O-CG1 3.34Å; E76-I80 PolarHBondContact O-N 3.19Å
77S98.1Very high97.4Very high6 Ų650.6 Ų50.64%0.04224%0.24CC..Hα-helixtrans-54.4-44.8-169.4600000114.9Y26 R29 C81Y26-S77 VanDerWaalsContact O-CB 3.28Å; Y26-S77 WeakPolarHBondContact O-CB 3.44Å; R29-S77 PolarHBondContact NH1-OG 2.9Å; R29-S77 VanDerWaalsContact NH1-OG 3.17Å; S77-C81 WeakPolarHBondContact O-CB 3.42Å; S77-C81 PolarHBondContact O-N 3.09Å; S77-C81 PolarHBondContact O-SG 3.38Å
78L97.3Very high97.2Very high53 Ų5352.4 Ų52.428%0.27725%0.248SC..Hα-helixtrans-69.7-37.3-179.1-69173.5000111.9E76 C81 E82 W126 M130E76-L78 PolarHBondContact O-N 3.21Å; L78-C81 PolarHBondContact O-N 3.33Å; L78-E82 PolarHBondContact O-N 3.49Å; L78-W126 HydrophobicContact CD2-CZ2 4.35Å; L78-M130 HydrophobicContact CD2-CB 4.4Å; L78-M130 HydrophobicContact CD2-CG 3.97Å; L78-M130 HydrophobicContact CD2-SD 3.64Å
79I97.8Very high96.8Very high101 Ų10156.3 Ų56.352%0.51827%0.27SS..Hα-helixtrans-67.2-46.9177.6-59.6-176.6000109.5V74 E76 C81 E82 W83V74-I79 HydrophobicContact CG1-CG2 3.97Å; E76-I79 HydrophobicContact CB-CB 4.17Å; E76-I79 HydrophobicContact CB-CD1 3.9Å; E76-I79 HydrophobicContact CB-CG1 4.01Å; E76-I79 HydrophobicContact CG-CD1 4.32Å; E76-I79 PolarHBondContact O-N 3.15Å; E76-I79 VanDerWaalsContact O-N 3.08Å; I79-C81 VanDerWaalsContact C-N 3.35Å; I79-C81 PolarHBondContact O-N 2.95Å; I79-E82 PolarHBondContact O-N 3.38Å; I79-W83 WeakPolarHBondContact O-CB 3.35Å; I79-W83 PolarHBondContact O-N 3.1Å
80I98.6Very high96.5Very high0 Ų060.9 Ų60.90%029%0.292CS..Hα-helixtrans-54.7-51.3173.8-70.3162.6000110.7V30 P65 V67 V74 E76 E82 W83 L84V30-I80 HydrophobicContact CB-CG2 4.3Å; V30-I80 HydrophobicContact CG1-CG2 3.65Å; V30-I80 HydrophobicContact CG2-CB 4.16Å; V30-I80 HydrophobicContact CG2-CD1 4.33Å; V30-I80 HydrophobicContact CG2-CG2 3.63Å; P65-I80 HydrophobicContact CB-CD1 3.95Å; P65-I80 HydrophobicContact CG-CD1 3.84Å; V67-I80 HydrophobicContact CB-CG1 4.48Å; V67-I80 HydrophobicContact CB-CG2 3.97Å; V67-I80 HydrophobicContact CG2-CD1 4.22Å; V67-I80 HydrophobicContact CG2-CG1 4.38Å; V67-I80 HydrophobicContact CG2-CG2 3.37Å; V74-I80 HydrophobicContact CB-CG1 4.14Å; V74-I80 HydrophobicContact CG1-CG1 3.84Å; V74-I80 WeakPolarHBondContact O-CD1 3.45Å; V74-I80 WeakPolarHBondContact O-CG1 3.47Å; E76-I80 WeakPolarHBondContact O-CG1 3.34Å; E76-I80 PolarHBondContact O-N 3.19Å; I80-E82 VanDerWaalsContact C-N 3.3Å; I80-E82 PolarHBondContact O-N 2.9Å; I80-W83 PolarHBondContact O-N 3.1Å; I80-L84 HydrophobicContact CG2-CD1 3.81Å; I80-L84 HydrophobicContact CG2-CG 4.28Å; I80-L84 WeakPolarHBondContact O-CB 3.45Å; I80-L84 WeakPolarHBondContact O-CG 3.06Å; I80-L84 PolarHBondContact O-N 2.89Å
81C98.2Very high96.1Very high0 Ų059.4 Ų59.40%029%0.289CS..Hα-helixtrans-61.2-39.5-177.3-72.60000111.8V33 S77 L78 I79 D85 W126 M130V33-C81 HydrophobicContact CG2-CB 3.99Å; S77-C81 WeakPolarHBondContact O-CB 3.42Å; S77-C81 PolarHBondContact O-N 3.09Å; S77-C81 PolarHBondContact O-SG 3.38Å; L78-C81 PolarHBondContact O-N 3.33Å; I79-C81 VanDerWaalsContact C-N 3.35Å; I79-C81 PolarHBondContact O-N 2.95Å; C81-D85 WeakPolarHBondContact O-CB 3.47Å; C81-D85 PolarHBondContact O-N 2.93Å; C81-W126 HydrophobicContact CB-CH2 3.5Å; C81-W126 VanDerWaalsContact CB-CH2 3.5Å; C81-W126 HydrophobicContact CB-CZ2 4.44Å; C81-W126 HydrophobicContact CB-CZ3 3.78Å; C81-M130 HydrophobicContact CB-CE 3.92Å; C81-M130 HydrophobicContact CB-SD 4.02Å
82E97Very high95.9Very high44 Ų4458.2 Ų58.221%0.20627%0.274CS..Hα-helixtrans-70.2-44.5178.9-180163.1-153.300110.7L78 I79 I80 L84 D85 E86 L94 K101 K105 W126L78-E82 PolarHBondContact O-N 3.49Å; I79-E82 PolarHBondContact O-N 3.38Å; I80-E82 VanDerWaalsContact C-N 3.3Å; I80-E82 PolarHBondContact O-N 2.9Å; E82-L84 PolarHBondContact O-N 3.2Å; E82-D85 WeakPolarHBondContact O-CB 3.35Å; E82-D85 PolarHBondContact O-N 3.17Å; E82-D85 VanDerWaalsContact O-N 3.09Å; E82-E86 WeakPolarHBondContact O-CG 3.49Å; E82-E86 PolarHBondContact O-N 2.88Å; E82-L94 HydrophobicContact CG-CD1 4.39Å; E82-K101 IonicContact OE1-NZ 2.89Å; E82-K105 WeakPolarHBondContact OE1-CE 3.38Å; E82-K105 IonicContact OE1-NZ 3.69Å; E82-K105 PolarHBondContact OE1-NZ 3.23Å; E82-K105 IonicContact OE2-NZ 3.68Å; E82-K105 PolarHBondContact OE2-NZ 2.82Å; E82-W126 HydrophobicContact CB-CH2 3.86Å; E82-W126 HydrophobicContact CB-CZ3 4.42Å; E82-W126 VanDerWaalsContact N-CH2 3.35Å
83W97.8Very high95.7Very high51 Ų5156.3 Ų56.319%0.19327%0.265CS..Hα-helixtrans-59.1-45.317617264.6000112.3V67 M72 V74 I79 I80 D85 E86 M87V67-W83 HydrophobicContact CB-CZ3 4.25Å; V67-W83 HydrophobicContact CG1-CH2 4.46Å; V67-W83 HydrophobicContact CG1-CZ3 3.72Å; M72-W83 HydrophobicContact CB-CH2 4.26Å; M72-W83 HydrophobicContact CB-CZ2 3.97Å; M72-W83 HydrophobicContact CE-CZ2 4.25Å; M72-W83 HydrophobicContact SD-CZ2 3.86Å; V74-W83 HydrophobicContact CB-CE3 4.07Å; V74-W83 HydrophobicContact CB-CZ3 4.26Å; V74-W83 HydrophobicContact CG2-CD2 3.78Å; V74-W83 HydrophobicContact CG2-CE3 3.69Å; V74-W83 HydrophobicContact CG2-CG 4.39Å; V74-W83 HydrophobicContact CG2-CH2 4.08Å; V74-W83 HydrophobicContact CG2-CZ2 4.2Å; V74-W83 HydrophobicContact CG2-CZ3 3.84Å; I79-W83 WeakPolarHBondContact O-CB 3.35Å; I79-W83 PolarHBondContact O-N 3.1Å; I80-W83 PolarHBondContact O-N 3.1Å; W83-D85 VanDerWaalsContact C-N 3.31Å; W83-D85 PolarHBondContact O-N 2.84Å; W83-E86 PolarHBondContact O-N 3.34Å; W83-M87 HydrophobicContact CH2-SD 4.36Å; W83-M87 HydrophobicContact CZ2-SD 3.61Å; W83-M87 VanDerWaalsContact O-CB 3.25Å; W83-M87 WeakPolarHBondContact O-CB 3.23Å; W83-M87 PolarHBondContact O-N 2.99Å
84L98Very high95.5Very high0 Ų054 Ų540%025%0.251CS..Hα-helixtrans-64.3-35.9174.3-71.1175.2000112.2V16 V30 V33 L34 K37 I80 E82 E86 F88V16-L84 HydrophobicContact CG1-CD2 4.35Å; V30-L84 HydrophobicContact CG1-CD1 3.9Å; V33-L84 HydrophobicContact CG1-CB 4.07Å; V33-L84 HydrophobicContact CG1-CD1 4.36Å; L34-L84 HydrophobicContact CD2-CD1 3.87Å; L34-L84 HydrophobicContact CD2-CD2 4.48Å; L34-L84 HydrophobicContact CG-CD1 4.23Å; K37-L84 WeakPolarHBondContact CE-O 3.31Å; I80-L84 HydrophobicContact CG2-CD1 3.81Å; I80-L84 HydrophobicContact CG2-CG 4.28Å; I80-L84 WeakPolarHBondContact O-CB 3.45Å; I80-L84 WeakPolarHBondContact O-CG 3.06Å; I80-L84 PolarHBondContact O-N 2.89Å; E82-L84 PolarHBondContact O-N 3.2Å; L84-E86 VanDerWaalsContact C-N 3.32Å; L84-F88 HydrophobicContact CD2-CD2 4.2Å; L84-F88 HydrophobicContact CD2-CE2 3.89Å; L84-F88 PolarHBondContact O-N 2.93Å
85D96.8Very high95.1Very high2 Ų254.6 Ų54.61%0.01126%0.255CS..Hα-helixtrans-65.9-36.9177.7-165.141.7000112.4K37 C81 E82 W83 L93 L94 W126K37-D85 PolarHBondContact NZ-O 3.49Å; K37-D85 IonicContact NZ-OD1 3.5Å; K37-D85 PolarHBondContact NZ-OD1 2.88Å; C81-D85 WeakPolarHBondContact O-CB 3.47Å; C81-D85 PolarHBondContact O-N 2.93Å; E82-D85 WeakPolarHBondContact O-CB 3.35Å; E82-D85 PolarHBondContact O-N 3.17Å; E82-D85 VanDerWaalsContact O-N 3.09Å; W83-D85 VanDerWaalsContact C-N 3.31Å; W83-D85 PolarHBondContact O-N 2.84Å; D85-L93 WeakPolarHBondContact OD1-CB 3.37Å; D85-L93 WeakPolarHBondContact OD1-CG 3.39Å; D85-L93 PolarHBondContact OD1-N 3.45Å; D85-L93 PolarHBondContact OD2-N 3.42Å; D85-L93 VanDerWaalsContact OD2-N 3.13Å; D85-L94 PolarHBondContact OD2-N 3.37Å; D85-W126 HydrophobicContact CB-CZ3 4.39Å
86E96.1Very high94.8Very high93 Ų9354.4 Ų54.444%0.43527%0.268SS..Hα-helixtrans-79-38.2178.2-68.7-176.5164.100112.9E82 W83 L84 K101E82-E86 WeakPolarHBondContact O-CG 3.49Å; E82-E86 PolarHBondContact O-N 2.88Å; W83-E86 PolarHBondContact O-N 3.34Å; L84-E86 VanDerWaalsContact C-N 3.32Å; E86-K101 IonicContact OE1-NZ 3.17Å; E86-K101 PolarHBondContact OE1-NZ 3.36Å
87M95.2Very high94.7Very high73 Ų7353.3 Ų53.336%0.3627%0.269SS..Hα-helixtrans-72.7-33.8-177.4-170.4172.2-167.700113.2Y69 M72 W83Y69-M87 HydrophobicContact CD1-CE 3.61Å; Y69-M87 HydrophobicContact CD1-SD 3.9Å; Y69-M87 HydrophobicContact CE1-CE 3.59Å; Y69-M87 HydrophobicContact CE1-SD 4.27Å; M72-M87 HydrophobicContact CE-CE 3.62Å; M72-M87 HydrophobicContact CE-SD 4.36Å; M72-M87 HydrophobicContact SD-CE 4.35Å; W83-M87 HydrophobicContact CH2-SD 4.36Å; W83-M87 HydrophobicContact CZ2-SD 3.61Å; W83-M87 VanDerWaalsContact O-CB 3.25Å; W83-M87 WeakPolarHBondContact O-CB 3.23Å; W83-M87 PolarHBondContact O-N 2.99Å
88F95.3Very high94.6Very high38 Ų3858.1 Ų58.117%0.16730%0.3CS..SBendtrans-113.582.4179.8-63-89.2000110V16 K37 I39 Y69 L84 H90V16-F88 HydrophobicContact CG2-CE2 4.1Å; V16-F88 HydrophobicContact CG2-CZ 3.87Å; K37-F88 WeakPolarHBondContact CE-O 3.46Å; K37-F88 PolarHBondContact NZ-O 3.02Å; I39-F88 HydrophobicContact CD1-CB 3.88Å; I39-F88 HydrophobicContact CD1-CD1 4.42Å; I39-F88 HydrophobicContact CD1-CD2 3.54Å; I39-F88 HydrophobicContact CD1-CE2 4.15Å; I39-F88 HydrophobicContact CD1-CG 3.7Å; I39-F88 HydrophobicContact CG1-CB 4.08Å; I39-F88 HydrophobicContact CG1-CD1 4.07Å; I39-F88 HydrophobicContact CG1-CD2 4.08Å; I39-F88 HydrophobicContact CG1-CG 3.82Å; I39-F88 HydrophobicContact CG2-CD1 4.41Å; I39-F88 HydrophobicContact CG2-CD2 4.45Å; I39-F88 HydrophobicContact CG2-CE1 4.05Å; I39-F88 HydrophobicContact CG2-CE2 4.1Å; I39-F88 HydrophobicContact CG2-CZ 3.88Å; Y69-F88 HydrophobicContact CD1-CZ 4.32Å; Y69-F88 AromaticContact CE1-CZ 3.96Å; Y69-F88 HydrophobicContact CE1-CZ 3.96Å; L84-F88 HydrophobicContact CD2-CD2 4.2Å; L84-F88 HydrophobicContact CD2-CE2 3.89Å; L84-F88 PolarHBondContact O-N 2.93Å; F88-H90 PolarHBondContact O-N 3.41Å
89D88.8Confident94.5Very high105 Ų10562.7 Ų62.756%0.56132%0.315SS*.G310 helixtrans-85-1.9-163.471.1-9.9000116.1K91D89-K91 PolarHBondContact O-N 3.07Å
90H91.7Very high94.3Very high122 Ų12261.1 Ų61.157%0.56531%0.305SS*.G310 helixtrans-62.2-17.9-178.765.1-70.9000114.1K37 F88K37-H90 PolarHBondContact O-CE1 2.98Å; K37-H90 PolarHBondContact O-NE2 3.19Å; F88-H90 PolarHBondContact O-N 3.41Å
91K87.5Confident94Very high95 Ų9563 Ų6341%0.41331%0.314SS..G310 helixtrans-150.188.3173.9-174.3177.5178.1-1760110V36 K37 D89V36-K91 WeakPolarHBondContact O-CD 3.18Å; V36-K91 PolarHBondContact O-NZ 3.36Å; K37-K91 PolarHBondContact NZ-O 2.96Å; D89-K91 PolarHBondContact O-N 3.07Å
92R91.1Very high93.8Very high113 Ų11365.2 Ų65.243%0.42633%0.332SS..  trans-72133179.8-69.7-172.5176.4-113.9-3.9111.9
93L93.2Very high93.5Very high20 Ų2066.7 Ų66.711%0.10534%0.338CS..SBendtrans-91-31.2175.3-61171.7000111.7V33 V36 K37 D85 W126 L129V33-L93 HydrophobicContact CB-CD1 4.42Å; V33-L93 HydrophobicContact CG1-CD1 4.08Å; V33-L93 HydrophobicContact CG2-CD1 3.84Å; V36-L93 HydrophobicContact CG1-CD2 3.9Å; K37-L93 HydrophobicContact CD-CD1 4.06Å; K37-L93 HydrophobicContact CD-CG 4.43Å; K37-L93 HydrophobicContact CG-CD1 4.28Å; K37-L93 HydrophobicContact CG-CG 4.44Å; D85-L93 WeakPolarHBondContact OD1-CB 3.37Å; D85-L93 WeakPolarHBondContact OD1-CG 3.39Å; D85-L93 PolarHBondContact OD1-N 3.45Å; D85-L93 PolarHBondContact OD2-N 3.42Å; D85-L93 VanDerWaalsContact OD2-N 3.13Å; L93-W126 HydrophobicContact CB-CB 4.25Å; L93-W126 HydrophobicContact CB-CE3 4.21Å; L93-W126 WeakPolarHBondContact O-CB 3.24Å; L93-W126 PolarHBondContact O-N 2.94Å; L93-L129 HydrophobicContact CD1-CD1 3.8Å; L93-L129 HydrophobicContact CD2-CD1 3.94Å
94L92.9Very high93.1Very high7 Ų767.1 Ų67.14%0.03734%0.342CS..SBendtrans-100144172.5-72.6168.5000111.3E82 D85 K101 M104 W126E82-L94 HydrophobicContact CG-CD1 4.39Å; D85-L94 PolarHBondContact OD2-N 3.37Å; L94-K101 HydrophobicContact CB-CG 4.26Å; L94-K101 HydrophobicContact CD1-CD 4.41Å; L94-K101 HydrophobicContact CD1-CG 4.23Å; L94-K101 HydrophobicContact CD2-CG 4.17Å; L94-K101 HydrophobicContact CG-CG 4.46Å; L94-M104 HydrophobicContact CD2-CB 3.9Å; L94-W126 HydrophobicContact CD1-CD2 3.89Å; L94-W126 HydrophobicContact CD1-CE3 3.75Å; L94-W126 HydrophobicContact CD1-CG 4.48Å; L94-W126 HydrophobicContact CD1-CH2 4.24Å; L94-W126 HydrophobicContact CD1-CZ2 4.37Å; L94-W126 HydrophobicContact CD1-CZ3 3.93Å; L94-W126 HydrophobicContact CD2-CB 3.66Å; L94-W126 HydrophobicContact CD2-CD2 3.72Å; L94-W126 HydrophobicContact CD2-CE3 4.25Å; L94-W126 HydrophobicContact CD2-CG 3.42Å; L94-W126 VanDerWaalsContact CD2-CG 3.42Å; L94-W126 HydrophobicContact CG-CB 4.01Å; L94-W126 HydrophobicContact CG-CD2 3.67Å; L94-W126 HydrophobicContact CG-CE3 3.65Å; L94-W126 HydrophobicContact CG-CG 3.83Å; L94-W126 HydrophobicContact CG-CZ3 4.33Å
95P91.1Very high92.8Very high41 Ų4170.7 Ų70.727%0.26636%0.358SS..  trans-69.9151.8175.231.1-35.9000111.3C97 E100 K101 M104P95-C97 VanDerWaalsContact C-N 3.33Å; P95-C97 PolarHBondContact O-N 2.99Å; P95-E100 HydrophobicContact CB-CB 4.09Å; P95-E100 VanDerWaalsContact CG-C 3.48Å; P95-E100 HydrophobicContact CG-CB 3.66Å; P95-K101 HydrophobicContact CG-CB 4.3Å; P95-M104 HydrophobicContact CG-CG 4.32Å
96S91Very high92.5Very high91 Ų9176.1 Ų76.164%0.63639%0.385SS*.SBendtrans-71.4-26.8177.1-50.20000113.2P98S96-P98 WeakPolarHBondContact O-CD 3.24Å
97C94.4Very high92Very high65 Ų6573.4 Ų73.444%0.43937%0.373SS..SBendtrans-66.9122.9177.4175.50000110.3P95 Y99 E100 K101P95-C97 VanDerWaalsContact C-N 3.33Å; P95-C97 PolarHBondContact O-N 2.99Å; C97-Y99 VanDerWaalsContact C-N 3.29Å; C97-Y99 PolarHBondContact O-N 3.18Å; C97-E100 HydrophobicContact CB-CB 4.11Å; C97-E100 HydrophobicContact CB-CG 4.16Å; C97-E100 PolarHBondContact O-N 3.04Å; C97-K101 WeakPolarHBondContact O-CB 3.26Å; C97-K101 PolarHBondContact O-N 3.17Å
98P96.4Very high91.7Very high106 Ų10670.5 Ų70.569%0.68836%0.359SS*.Hα-helixtrans-57-39.7-177.5-27.635.4000113.7S96 K101 A102S96-P98 WeakPolarHBondContact O-CD 3.24Å; P98-K101 PolarHBondContact O-N 2.81Å; P98-A102 WeakPolarHBondContact O-CB 3.24Å; P98-A102 PolarHBondContact O-N 3.34Å
99Y95.7Very high91.3Very high149 Ų14974.5 Ų74.558%0.58438%0.379SS*.Hα-helixtrans-68.2-44-179.9179.8-122.2000112.3C97 K101 A102 K103C97-Y99 VanDerWaalsContact C-N 3.29Å; C97-Y99 PolarHBondContact O-N 3.18Å; Y99-K101 VanDerWaalsContact C-N 3.33Å; Y99-A102 PolarHBondContact O-N 2.86Å; Y99-K103 HydrophobicContact CE1-CD 4.29Å; Y99-K103 PolarHBondContact O-N 3.43Å; Y99-K103 VanDerWaalsContact OH-CE 3.24Å; Y99-K103 WeakPolarHBondContact OH-CE 3.41Å
100E92.4Very high91Very high69 Ų6976.7 Ų76.732%0.32238%0.379SS..Hα-helixtrans-69-34.1176.5-63.7-58.2137.800111.4P95 C97 K103 M104P95-E100 HydrophobicContact CB-CB 4.09Å; P95-E100 VanDerWaalsContact CG-C 3.48Å; P95-E100 HydrophobicContact CG-CB 3.66Å; C97-E100 HydrophobicContact CB-CB 4.11Å; C97-E100 HydrophobicContact CB-CG 4.16Å; C97-E100 PolarHBondContact O-N 3.04Å; E100-K103 PolarHBondContact O-N 3.23Å; E100-K103 IonicContact OE1-NZ 2.84Å; E100-K103 PolarHBondContact OE1-NZ 3.04Å; E100-K103 IonicContact OE2-NZ 2.63Å; E100-M104 WeakPolarHBondContact O-CG 3.39Å; E100-M104 PolarHBondContact O-N 3.34Å
101K93.3Very high90.2Very high39 Ų3974.4 Ų74.417%0.1737%0.371CS..Hα-helixtrans-61.3-46172.7-173.6-172.6-81.7-1620110.1E82 E86 L94 P95 C97 P98 Y99 K103 M104 K105E82-K101 IonicContact OE1-NZ 2.89Å; E86-K101 IonicContact OE1-NZ 3.17Å; E86-K101 PolarHBondContact OE1-NZ 3.36Å; L94-K101 HydrophobicContact CB-CG 4.26Å; L94-K101 HydrophobicContact CD1-CD 4.41Å; L94-K101 HydrophobicContact CD1-CG 4.23Å; L94-K101 HydrophobicContact CD2-CG 4.17Å; L94-K101 HydrophobicContact CG-CG 4.46Å; P95-K101 HydrophobicContact CG-CB 4.3Å; C97-K101 WeakPolarHBondContact O-CB 3.26Å; C97-K101 PolarHBondContact O-N 3.17Å; P98-K101 PolarHBondContact O-N 2.81Å; Y99-K101 VanDerWaalsContact C-N 3.33Å; K101-K103 PolarHBondContact O-N 3.48Å; K101-M104 PolarHBondContact O-N 3.4Å; K101-K105 WeakPolarHBondContact O-CG 3.24Å; K101-K105 PolarHBondContact O-N 2.84Å
102A93.6Very high89.3Confident46 Ų4673.6 Ų73.638%0.3838%0.377SS..Hα-helixtrans-61.1-41.817600000112.3P98 Y99 M104 K105 M106P98-A102 WeakPolarHBondContact O-CB 3.24Å; P98-A102 PolarHBondContact O-N 3.34Å; Y99-A102 PolarHBondContact O-N 2.86Å; A102-M104 PolarHBondContact O-N 3.44Å; A102-K105 PolarHBondContact O-N 3.1Å; A102-M106 WeakPolarHBondContact O-CG 3.49Å; A102-M106 PolarHBondContact O-N 3.28Å
103K90.7Very high88.4Confident76 Ų7672.4 Ų72.433%0.3338%0.378SS..Hα-helixtrans-59.2-43.8173.4-75.3-179.7-178.2162.20112.6Y99 E100 K101 K105 M106 L107Y99-K103 HydrophobicContact CE1-CD 4.29Å; Y99-K103 PolarHBondContact O-N 3.43Å; Y99-K103 VanDerWaalsContact OH-CE 3.24Å; Y99-K103 WeakPolarHBondContact OH-CE 3.41Å; E100-K103 PolarHBondContact O-N 3.23Å; E100-K103 IonicContact OE1-NZ 2.84Å; E100-K103 PolarHBondContact OE1-NZ 3.04Å; E100-K103 IonicContact OE2-NZ 2.63Å; K101-K103 PolarHBondContact O-N 3.48Å; K103-K105 VanDerWaalsContact C-N 3.34Å; K103-K105 PolarHBondContact O-N 3.31Å; K103-M106 HydrophobicContact CG-CE 4.18Å; K103-M106 PolarHBondContact O-N 3.45Å; K103-L107 WeakPolarHBondContact O-CB 3.3Å; K103-L107 PolarHBondContact O-N 2.63Å
104M89.7Confident87.4Confident60 Ų6071.6 Ų71.630%0.29637%0.374SS..Hα-helixtrans-62.8-41.1177.5-70-62.1166.700111.6L94 P95 E100 K101 A102 L107 T108 P127L94-M104 HydrophobicContact CD2-CB 3.9Å; P95-M104 HydrophobicContact CG-CG 4.32Å; E100-M104 WeakPolarHBondContact O-CG 3.39Å; E100-M104 PolarHBondContact O-N 3.34Å; K101-M104 PolarHBondContact O-N 3.4Å; A102-M104 PolarHBondContact O-N 3.44Å; M104-L107 WeakPolarHBondContact O-CB 3.29Å; M104-L107 PolarHBondContact O-N 2.69Å; M104-T108 PolarHBondContact O-N 3.35Å; M104-T108 PolarHBondContact O-OG1 3.07Å; M104-P127 HydrophobicContact CB-CG 4.33Å; M104-P127 HydrophobicContact SD-CG 3.83Å
105K91.7Very high86.4Confident74 Ų7472.7 Ų72.732%0.32238%0.38SS..Hα-helixtrans-65.9-42.7175.5-66.9-173-176.7-1700112.5E82 K101 A102 K103 L107 T108 E109E82-K105 WeakPolarHBondContact OE1-CE 3.38Å; E82-K105 IonicContact OE1-NZ 3.69Å; E82-K105 PolarHBondContact OE1-NZ 3.23Å; E82-K105 IonicContact OE2-NZ 3.68Å; E82-K105 PolarHBondContact OE2-NZ 2.82Å; K101-K105 WeakPolarHBondContact O-CG 3.24Å; K101-K105 PolarHBondContact O-N 2.84Å; A102-K105 PolarHBondContact O-N 3.1Å; K103-K105 VanDerWaalsContact C-N 3.34Å; K103-K105 PolarHBondContact O-N 3.31Å; K105-L107 PolarHBondContact O-N 2.75Å; K105-T108 WeakPolarHBondContact O-CB 3.36Å; K105-T108 PolarHBondContact O-N 3.43Å; K105-T108 VanDerWaalsContact O-N 3.17Å; K105-E109 PolarHBondContact O-N 3.22Å
106M89.8Confident85.6Confident117 Ų11774.2 Ų74.258%0.57639%0.388SS*.Hα-helixtrans-60.9-35.9173.6-72.3-171.7-67.600112.3A102 K103 E109A102-M106 WeakPolarHBondContact O-CG 3.49Å; A102-M106 PolarHBondContact O-N 3.28Å; K103-M106 HydrophobicContact CG-CE 4.18Å; K103-M106 PolarHBondContact O-N 3.45Å; M106-E109 PolarHBondContact O-N 3.39Å
107L86.6Confident84.4Confident35 Ų3571.9 Ų71.918%0.18337%0.374CS..Hα-helixtrans-66.7-40.6175.5-175.658.4000111.4K103 M104 K105 E109 R110 L113 V114 P127K103-L107 WeakPolarHBondContact O-CB 3.3Å; K103-L107 PolarHBondContact O-N 2.63Å; M104-L107 WeakPolarHBondContact O-CB 3.29Å; M104-L107 PolarHBondContact O-N 2.69Å; K105-L107 PolarHBondContact O-N 2.75Å; L107-E109 VanDerWaalsContact C-N 3.28Å; L107-E109 PolarHBondContact O-N 3.32Å; L107-R110 CarbonylContact O-C 3.6Å; L107-R110 VanDerWaalsContact O-C 3.31Å; L107-R110 WeakPolarHBondContact O-CA 3.5Å; L107-R110 PolarHBondContact O-N 3.45Å; L107-L113 HydrophobicContact CD1-CB 3.35Å; L107-V114 HydrophobicContact CD1-CG2 3.93Å; L107-V114 HydrophobicContact CD2-CG2 4.46Å; L107-V114 HydrophobicContact CG-CG2 3.7Å; L107-V114 WeakPolarHBondContact O-CG2 3.17Å; L107-P127 HydrophobicContact CB-CG 4.36Å; L107-P127 HydrophobicContact CD2-CB 4.3Å; L107-P127 HydrophobicContact CD2-CG 4.04Å; L107-P127 HydrophobicContact CG-CB 4.23Å; L107-P127 HydrophobicContact CG-CG 4.27Å
108T88.4Confident82.8Confident13 Ų1375 Ų758%0.0839%0.393CS..Hα-helixtrans-57.5-38.9173-61.20000112.5M104 K105 R110 W126 P127 M130M104-T108 PolarHBondContact O-N 3.35Å; M104-T108 PolarHBondContact O-OG1 3.07Å; K105-T108 WeakPolarHBondContact O-CB 3.36Å; K105-T108 PolarHBondContact O-N 3.43Å; K105-T108 VanDerWaalsContact O-N 3.17Å; T108-R110 PolarHBondContact O-N 2.85Å; T108-W126 VanDerWaalsContact OG1-CD1 3.28Å; T108-W126 PolarHBondContact OG1-NE1 3.24Å; T108-P127 WeakPolarHBondContact OG1-CA 3.47Å; T108-M130 HydrophobicContact CG2-CB 3.49Å; T108-M130 VanDerWaalsContact CG2-CB 3.49Å; T108-M130 HydrophobicContact CG2-CG 4.1Å
109E86.9Confident81.2Confident122 Ų12272.8 Ų72.857%0.5737%0.372SS*.THydrogen-bonded Turntrans-71.3-3.2175.5-65.9-58.8142.100113.9K105 M106 L107K105-E109 PolarHBondContact O-N 3.22Å; M106-E109 PolarHBondContact O-N 3.39Å; L107-E109 VanDerWaalsContact C-N 3.28Å; L107-E109 PolarHBondContact O-N 3.32Å
110R82.8Confident79.2Confident150 Ų15077.9 Ų77.957%0.56639%0.39SS*.  trans-132.975.8-175.9-65.9-67.8-178-983110.8L107 T108 S112 L113 V114L107-R110 CarbonylContact O-C 3.6Å; L107-R110 VanDerWaalsContact O-C 3.31Å; L107-R110 WeakPolarHBondContact O-CA 3.5Å; L107-R110 PolarHBondContact O-N 3.45Å; T108-R110 PolarHBondContact O-N 2.85Å; R110-S112 VanDerWaalsContact C-N 3.25Å; R110-S112 PolarHBondContact O-N 2.84Å; R110-S112 VanDerWaalsContact O-N 3.08Å; R110-L113 HydrophobicContact CB-CB 4.24Å; R110-L113 HydrophobicContact CB-CD1 3.79Å; R110-L113 HydrophobicContact CB-CG 4.08Å; R110-L113 HydrophobicContact CG-CD1 4.22Å; R110-L113 WeakPolarHBondContact O-CB 3.39Å; R110-L113 PolarHBondContact O-N 2.85Å; R110-V114 PolarHBondContact O-N 3.11Å
111L75.2Confident77.2Confident75 Ų7577.7 Ų77.739%0.39340%0.395SS..Hα-helixtrans-42.5-47.7-179.6-177.869.5000114L113 V114 I115 I131 L135L111-L113 VanDerWaalsContact C-N 3.3Å; L111-L113 PolarHBondContact O-N 2.79Å; L111-V114 WeakPolarHBondContact O-CB 3.06Å; L111-V114 PolarHBondContact O-N 3.04Å; L111-I115 HydrophobicContact CD1-CD1 4.34Å; L111-I115 HydrophobicContact CG-CD1 4Å; L111-I115 PolarHBondContact O-N 3.15Å; L111-I131 HydrophobicContact CD1-CB 3.56Å; L111-I131 HydrophobicContact CD1-CD1 3.49Å; L111-I131 VanDerWaalsContact CD1-CD1 3.49Å; L111-I131 HydrophobicContact CD1-CG1 4.06Å; L111-I131 HydrophobicContact CD1-CG2 3.83Å; L111-L135 HydrophobicContact CD1-CD1 4.35Å; L111-L135 HydrophobicContact CD1-CD2 4.13Å; L111-L135 HydrophobicContact CD1-CG 4.29Å; L111-L135 HydrophobicContact CD2-CD2 4.32Å
112S67.9Low75.4Confident77 Ų7782.3 Ų82.354%0.53842%0.422SS..Hα-helixtrans-60.4-39.1-176.9570000112.7R110 V114 I115 V116R110-S112 VanDerWaalsContact C-N 3.25Å; R110-S112 PolarHBondContact O-N 2.84Å; R110-S112 VanDerWaalsContact O-N 3.08Å; S112-V114 VanDerWaalsContact C-N 3.34Å; S112-I115 PolarHBondContact O-N 2.76Å; S112-V116 WeakPolarHBondContact O-CG2 3.39Å; S112-V116 PolarHBondContact O-N 2.78Å
113L72.6Confident74.2Confident89 Ų8987.3 Ų87.347%0.46644%0.437SS..Hα-helixtrans-68.4-35.5-179.7-66.5-179.3000111.4L107 R110 L111 I115 A117L107-L113 HydrophobicContact CD1-CB 3.35Å; R110-L113 HydrophobicContact CB-CB 4.24Å; R110-L113 HydrophobicContact CB-CD1 3.79Å; R110-L113 HydrophobicContact CB-CG 4.08Å; R110-L113 HydrophobicContact CG-CD1 4.22Å; R110-L113 WeakPolarHBondContact O-CB 3.39Å; R110-L113 PolarHBondContact O-N 2.85Å; L111-L113 VanDerWaalsContact C-N 3.3Å; L111-L113 PolarHBondContact O-N 2.79Å; L113-I115 VanDerWaalsContact C-N 3.29Å; L113-I115 PolarHBondContact O-N 3.27Å; L113-A117 WeakPolarHBondContact O-CB 3.33Å; L113-A117 PolarHBondContact O-N 3.34Å
114V71.8Confident73.9Confident2 Ų285.8 Ų85.81%0.01243%0.432CS..Hα-helixtrans-60-42.8176.61790000111.3L107 R110 L111 S112 R119 P127 I131 Y162L107-V114 HydrophobicContact CD1-CG2 3.93Å; L107-V114 HydrophobicContact CD2-CG2 4.46Å; L107-V114 HydrophobicContact CG-CG2 3.7Å; L107-V114 WeakPolarHBondContact O-CG2 3.17Å; R110-V114 PolarHBondContact O-N 3.11Å; L111-V114 WeakPolarHBondContact O-CB 3.06Å; L111-V114 PolarHBondContact O-N 3.04Å; S112-V114 VanDerWaalsContact C-N 3.34Å; V114-R119 VanDerWaalsContact CG1-NH2 3.33Å; V114-P127 HydrophobicContact CG1-CB 4.38Å; V114-P127 HydrophobicContact CG2-CB 3.87Å; V114-I131 HydrophobicContact CB-CD1 3.55Å; V114-I131 HydrophobicContact CG1-CD1 3.22Å; V114-I131 HydrophobicContact CG1-CG1 4.14Å; V114-I131 HydrophobicContact CG2-CD1 4.06Å; V114-I131 HydrophobicContact CG2-CG2 4.45Å; V114-Y162 HydrophobicContact CG1-CE2 4.31Å
115I71.6Confident73.8Confident31 Ų3183.7 Ų83.716%0.15943%0.426CS..Hα-helixtrans-72.9-38.8-174.5-63158.6000111.3L111 S112 L113 L135 L159L111-I115 HydrophobicContact CD1-CD1 4.34Å; L111-I115 HydrophobicContact CG-CD1 4Å; L111-I115 PolarHBondContact O-N 3.15Å; S112-I115 PolarHBondContact O-N 2.76Å; L113-I115 VanDerWaalsContact C-N 3.29Å; L113-I115 PolarHBondContact O-N 3.27Å; I115-L135 HydrophobicContact CD1-CD1 4.27Å; I115-L135 HydrophobicContact CD1-CD2 4.31Å; I115-L135 HydrophobicContact CG1-CD1 4.17Å; I115-L159 HydrophobicContact CD1-CD1 3.94Å; I115-L159 HydrophobicContact CG1-CD1 4.26Å; I115-L159 HydrophobicContact CG2-CB 4.14Å; I115-L159 HydrophobicContact CG2-CD1 4.26Å
116V74.1Confident73.8Confident73 Ų7380.5 Ų80.544%0.44241%0.412SS..Hα-helixtrans-100.5-15.6-170.4-53.90000114.6S112 K158S112-V116 WeakPolarHBondContact O-CG2 3.39Å; S112-V116 PolarHBondContact O-N 2.78Å; V116-K158 HydrophobicContact CB-CD 4.43Å; V116-K158 HydrophobicContact CG1-CD 4.3Å
117A66.9Low74Confident41 Ų4174.9 Ų74.934%0.33938%0.384SS..SBendtrans-65.3132.5-176.700000111.2L113 R119L113-A117 WeakPolarHBondContact O-CB 3.33Å; L113-A117 PolarHBondContact O-N 3.34Å; A117-R119 PolarHBondContact O-N 2.97Å
118P60.6Low74.2Confident130 Ų13073.5 Ų73.584%0.84438%0.377SS*.  trans-66.4103.9170.525.6-29.6000108.7
119R63.7Low74.5Confident61 Ų6172.9 Ų72.923%0.2337%0.373CS..  trans-78.9125.9173-62.6-151.6-172.8-144.94.5109.4V114 A117 C121 D128V114-R119 VanDerWaalsContact CG1-NH2 3.33Å; A117-R119 PolarHBondContact O-N 2.97Å; R119-C121 WeakPolarHBondContact CB-O 3.06Å; R119-C121 PolarHBondContact O-N 3.23Å; R119-D128 IonicContact CZ-OD1 4Å; R119-D128 IonicContact CZ-OD2 2.76Å; R119-D128 IonicContact NE-OD1 3.09Å; R119-D128 IonicContact NE-OD2 2.92Å; R119-D128 IonicContact NH1-OD1 3.06Å; R119-D128 IonicContact NH1-OD2 2.65Å; R119-D128 PolarHBondContact NH1-OD2 3.36Å; R119-D128 IonicContact NH2-OD1 3.26Å; R119-D128 PolarHBondContact NH2-OD1 3.08Å; R119-D128 IonicContact NH2-OD2 3.13Å; R119-D128 PolarHBondContact NH2-OD2 3.39Å
120R53.1Low74.9Confident255 Ų25567 Ų6796%0.96235%0.346SS*.SBendtrans-60.2-26.6178.2-85.1-176169.8177.4-3.1113
121C49.7Very low75.5Confident66 Ų6660.2 Ų60.245%0.44632%0.321SS..SBendtrans-123.5137.9179.1-34.20000106.2R119 E123R119-C121 WeakPolarHBondContact CB-O 3.06Å; R119-C121 PolarHBondContact O-N 3.23Å; C121-E123 HydrophobicContact CB-CB 3.99Å; C121-E123 HydrophobicContact CB-CG 3.95Å; C121-E123 PolarHBondContact O-N 3.2Å
122N56.6Low76.4Confident136 Ų13656.7 Ų56.773%0.72730%0.302SS*.SBendtrans-64.813.6168.2-89.3-20.8000113R165N122-R165 PolarHBondContact OD1-NH1 3.44Å
123E68.4Low77.7Confident150 Ų15053 Ų5370%0.70128%0.276SS*.  trans-83125.1-176.3-65.5-179.9175.300110.6C121C121-E123 HydrophobicContact CB-CB 3.99Å; C121-E123 HydrophobicContact CB-CG 3.95Å; C121-E123 PolarHBondContact O-N 3.2Å
124M84Confident78.7Confident45 Ų4553.1 Ų53.122%0.22227%0.27CS..  trans-65130.2168.6179-178.267.400109.4V36 D128 L129 M166 V169 I172V36-M124 HydrophobicContact CB-CE 4.41Å; V36-M124 HydrophobicContact CG1-CE 4Å; V36-M124 HydrophobicContact CG2-CE 3.44Å; V36-M124 VanDerWaalsContact CG2-CE 3.44Å; M124-D128 HydrophobicContact CG-CB 3.74Å; M124-L129 HydrophobicContact CE-CD2 3.81Å; M124-L129 HydrophobicContact CG-CD2 3.88Å; M124-L129 HydrophobicContact CG-CG 4.42Å; M124-L129 HydrophobicContact SD-CD2 3.4Å; M124-L129 WeakPolarHBondContact SD-CD2 3.4Å; M124-L129 HydrophobicContact SD-CG 4.49Å; M124-M166 HydrophobicContact CG-CE 4.07Å; M124-M166 HydrophobicContact CG-SD 3.99Å; M124-M166 HydrophobicContact SD-CE 3.63Å; M124-M166 HydrophobicContact SD-SD 3.94Å; M124-V169 HydrophobicContact CE-CG1 3.85Å; M124-V169 HydrophobicContact SD-CG1 4.38Å; M124-V169 HydrophobicContact SD-CG2 4.28Å; M124-I172 HydrophobicContact CE-CD1 3.99Å; M124-I172 HydrophobicContact CE-CG1 4.17Å; M124-I172 HydrophobicContact SD-CD1 3.57Å; M124-I172 VanDerWaalsContact SD-CD1 3.57Å; M124-I172 HydrophobicContact SD-CG1 3.67Å
125G87.2Confident79.7Confident16 Ų1653.6 Ų53.617%0.16527%0.273CS..  trans-127.1-172.3179.100000112.5D128 L129G125-D128 WeakPolarHBondContact CA-OD2 3.31Å; G125-D128 PolarHBondContact N-OD2 3.08Å; G125-D128 WeakPolarHBondContact O-CB 3.44Å; G125-D128 PolarHBondContact O-N 2.94Å; G125-D128 VanDerWaalsContact O-N 3.07Å; G125-L129 PolarHBondContact O-N 2.94Å
126W92.7Very high80.8Confident6 Ų652.7 Ų52.72%0.02327%0.268CS..Hα-helixtrans-46.6-50.9-178.9172-85.1000114.4L78 C81 E82 D85 L93 L94 T108 D128 L129 M130L78-W126 HydrophobicContact CD2-CZ2 4.35Å; C81-W126 HydrophobicContact CB-CH2 3.5Å; C81-W126 VanDerWaalsContact CB-CH2 3.5Å; C81-W126 HydrophobicContact CB-CZ2 4.44Å; C81-W126 HydrophobicContact CB-CZ3 3.78Å; E82-W126 HydrophobicContact CB-CH2 3.86Å; E82-W126 HydrophobicContact CB-CZ3 4.42Å; E82-W126 VanDerWaalsContact N-CH2 3.35Å; D85-W126 HydrophobicContact CB-CZ3 4.39Å; L93-W126 HydrophobicContact CB-CB 4.25Å; L93-W126 HydrophobicContact CB-CE3 4.21Å; L93-W126 WeakPolarHBondContact O-CB 3.24Å; L93-W126 PolarHBondContact O-N 2.94Å; L94-W126 HydrophobicContact CD1-CD2 3.89Å; L94-W126 HydrophobicContact CD1-CE3 3.75Å; L94-W126 HydrophobicContact CD1-CG 4.48Å; L94-W126 HydrophobicContact CD1-CH2 4.24Å; L94-W126 HydrophobicContact CD1-CZ2 4.37Å; L94-W126 HydrophobicContact CD1-CZ3 3.93Å; L94-W126 HydrophobicContact CD2-CB 3.66Å; L94-W126 HydrophobicContact CD2-CD2 3.72Å; L94-W126 HydrophobicContact CD2-CE3 4.25Å; L94-W126 HydrophobicContact CD2-CG 3.42Å; L94-W126 VanDerWaalsContact CD2-CG 3.42Å; L94-W126 HydrophobicContact CG-CB 4.01Å; L94-W126 HydrophobicContact CG-CD2 3.67Å; L94-W126 HydrophobicContact CG-CE3 3.65Å; L94-W126 HydrophobicContact CG-CG 3.83Å; L94-W126 HydrophobicContact CG-CZ3 4.33Å; T108-W126 VanDerWaalsContact OG1-CD1 3.28Å; T108-W126 PolarHBondContact OG1-NE1 3.24Å; W126-D128 VanDerWaalsContact C-N 3.25Å; W126-D128 PolarHBondContact O-N 3.47Å; W126-L129 PolarHBondContact O-N 3.06Å; W126-M130 HydrophobicContact CD2-CG 4.03Å; W126-M130 HydrophobicContact CG-CG 4.27Å; W126-M130 HydrophobicContact CH2-SD 4.28Å; W126-M130 HydrophobicContact CZ2-CG 3.93Å; W126-M130 HydrophobicContact CZ2-SD 3.96Å; W126-M130 VanDerWaalsContact O-CG 3.31Å; W126-M130 WeakPolarHBondContact O-CG 3.31Å; W126-M130 PolarHBondContact O-N 3.49Å; W126-M130 VanDerWaalsContact O-N 3.1Å
127P92.5Very high81.7Confident0 Ų050.3 Ų50.30%025%0.251CS..Hα-helixtrans-62.5-34.5-176.6-21.834.4000112.7M104 L107 T108 V114 M130 I131M104-P127 HydrophobicContact CB-CG 4.33Å; M104-P127 HydrophobicContact SD-CG 3.83Å; L107-P127 HydrophobicContact CB-CG 4.36Å; L107-P127 HydrophobicContact CD2-CB 4.3Å; L107-P127 HydrophobicContact CD2-CG 4.04Å; L107-P127 HydrophobicContact CG-CB 4.23Å; L107-P127 HydrophobicContact CG-CG 4.27Å; T108-P127 WeakPolarHBondContact OG1-CA 3.47Å; V114-P127 HydrophobicContact CG1-CB 4.38Å; V114-P127 HydrophobicContact CG2-CB 3.87Å; P127-M130 PolarHBondContact O-N 2.98Å; P127-I131 WeakPolarHBondContact O-CG1 3.06Å; P127-I131 WeakPolarHBondContact O-CG2 3.48Å; P127-I131 PolarHBondContact O-N 3.4Å
128D92.3Very high82.9Confident5 Ų550.7 Ų50.73%0.02725%0.247CC..Hα-helixtrans-62.9-48.7-178.8-53-81.1000111R119 M124 G125 W126 M130 I131 W132 Y162 M166R119-D128 IonicContact CZ-OD1 4Å; R119-D128 IonicContact CZ-OD2 2.76Å; R119-D128 IonicContact NE-OD1 3.09Å; R119-D128 IonicContact NE-OD2 2.92Å; R119-D128 IonicContact NH1-OD1 3.06Å; R119-D128 IonicContact NH1-OD2 2.65Å; R119-D128 PolarHBondContact NH1-OD2 3.36Å; R119-D128 IonicContact NH2-OD1 3.26Å; R119-D128 PolarHBondContact NH2-OD1 3.08Å; R119-D128 IonicContact NH2-OD2 3.13Å; R119-D128 PolarHBondContact NH2-OD2 3.39Å; M124-D128 HydrophobicContact CG-CB 3.74Å; G125-D128 WeakPolarHBondContact CA-OD2 3.31Å; G125-D128 PolarHBondContact N-OD2 3.08Å; G125-D128 WeakPolarHBondContact O-CB 3.44Å; G125-D128 PolarHBondContact O-N 2.94Å; G125-D128 VanDerWaalsContact O-N 3.07Å; W126-D128 VanDerWaalsContact C-N 3.25Å; W126-D128 PolarHBondContact O-N 3.47Å; D128-M130 VanDerWaalsContact C-N 3.31Å; D128-M130 PolarHBondContact O-N 2.96Å; D128-I131 WeakPolarHBondContact O-CG1 3.48Å; D128-I131 PolarHBondContact O-N 3.2Å; D128-W132 VanDerWaalsContact O-CB 3.29Å; D128-W132 WeakPolarHBondContact O-CB 3.15Å; D128-W132 PolarHBondContact O-N 2.83Å; D128-Y162 VanDerWaalsContact CA-OH 3.24Å; D128-Y162 WeakPolarHBondContact CA-OH 3.34Å; D128-Y162 WeakPolarHBondContact CB-OH 3.46Å; D128-Y162 VanDerWaalsContact OD1-CE2 3.3Å; D128-Y162 WeakPolarHBondContact OD1-CE2 3.05Å; D128-Y162 PolarHBondContact OD1-OH 3.14Å; D128-M166 HydrophobicContact CB-CE 3.91Å; D128-M166 HydrophobicContact CB-SD 3.9Å
129L94.4Very high84.3Confident0 Ų048.6 Ų48.60%023%0.226CC..Hα-helixtrans-64.3-38.1178.6-57.4-173.5000111.8L32 V33 V36 L93 M124 G125 W126 I131 P133 M166 I172L32-L129 HydrophobicContact CB-CB 4.49Å; L32-L129 HydrophobicContact CB-CD2 4.26Å; L32-L129 WeakPolarHBondContact CD1-O 3.45Å; V33-L129 HydrophobicContact CG2-CD1 4.26Å; V36-L129 HydrophobicContact CB-CD1 4.27Å; V36-L129 HydrophobicContact CG1-CD1 4.39Å; V36-L129 HydrophobicContact CG2-CD1 4.14Å; V36-L129 HydrophobicContact CG2-CD2 4.04Å; L93-L129 HydrophobicContact CD1-CD1 3.8Å; L93-L129 HydrophobicContact CD2-CD1 3.94Å; M124-L129 HydrophobicContact CE-CD2 3.81Å; M124-L129 HydrophobicContact CG-CD2 3.88Å; M124-L129 HydrophobicContact CG-CG 4.42Å; M124-L129 HydrophobicContact SD-CD2 3.4Å; M124-L129 WeakPolarHBondContact SD-CD2 3.4Å; M124-L129 HydrophobicContact SD-CG 4.49Å; G125-L129 PolarHBondContact O-N 2.94Å; W126-L129 PolarHBondContact O-N 3.06Å; L129-I131 VanDerWaalsContact C-N 3.28Å; L129-I131 PolarHBondContact O-N 3.35Å; L129-P133 WeakPolarHBondContact O-CD 3.36Å; L129-M166 HydrophobicContact CD2-CE 4.43Å; L129-I172 HydrophobicContact CD2-CD1 3.61Å
130M95.6Very high85.7Confident0 Ų045.7 Ų45.70%022%0.215CC..Hα-helixtrans-73.7-18.9-176.9-66.7-50.1105.500113.5R29 V33 L78 C81 T108 W126 P127 D128 W134R29-M130 HydrophobicContact CB-CE 4.3Å; R29-M130 HydrophobicContact CB-SD 4.22Å; R29-M130 HydrophobicContact CG-SD 4.18Å; R29-M130 PolarHBondContact NE-O 2.85Å; R29-M130 PolarHBondContact NH2-O 3.27Å; V33-M130 HydrophobicContact CG2-CE 3.69Å; L78-M130 HydrophobicContact CD2-CB 4.4Å; L78-M130 HydrophobicContact CD2-CG 3.97Å; L78-M130 HydrophobicContact CD2-SD 3.64Å; C81-M130 HydrophobicContact CB-CE 3.92Å; C81-M130 HydrophobicContact CB-SD 4.02Å; T108-M130 HydrophobicContact CG2-CB 3.49Å; T108-M130 VanDerWaalsContact CG2-CB 3.49Å; T108-M130 HydrophobicContact CG2-CG 4.1Å; W126-M130 HydrophobicContact CD2-CG 4.03Å; W126-M130 HydrophobicContact CG-CG 4.27Å; W126-M130 HydrophobicContact CH2-SD 4.28Å; W126-M130 HydrophobicContact CZ2-CG 3.93Å; W126-M130 HydrophobicContact CZ2-SD 3.96Å; W126-M130 VanDerWaalsContact O-CG 3.31Å; W126-M130 WeakPolarHBondContact O-CG 3.31Å; W126-M130 PolarHBondContact O-N 3.49Å; W126-M130 VanDerWaalsContact O-N 3.1Å; P127-M130 PolarHBondContact O-N 2.98Å; D128-M130 VanDerWaalsContact C-N 3.31Å; D128-M130 PolarHBondContact O-N 2.96Å; M130-W134 WeakPolarHBondContact O-CZ3 3.09Å
131I93.6Very high87.6Confident7 Ų736.6 Ų36.64%0.03619%0.187CC..Hα-helixtrans-107.2-21.9178.170.9164.5000113.7L111 V114 P127 D128 L129 P133 W134 L135 Y162L111-I131 HydrophobicContact CD1-CB 3.56Å; L111-I131 HydrophobicContact CD1-CD1 3.49Å; L111-I131 VanDerWaalsContact CD1-CD1 3.49Å; L111-I131 HydrophobicContact CD1-CG1 4.06Å; L111-I131 HydrophobicContact CD1-CG2 3.83Å; V114-I131 HydrophobicContact CB-CD1 3.55Å; V114-I131 HydrophobicContact CG1-CD1 3.22Å; V114-I131 HydrophobicContact CG1-CG1 4.14Å; V114-I131 HydrophobicContact CG2-CD1 4.06Å; V114-I131 HydrophobicContact CG2-CG2 4.45Å; P127-I131 WeakPolarHBondContact O-CG1 3.06Å; P127-I131 WeakPolarHBondContact O-CG2 3.48Å; P127-I131 PolarHBondContact O-N 3.4Å; D128-I131 WeakPolarHBondContact O-CG1 3.48Å; D128-I131 PolarHBondContact O-N 3.2Å; L129-I131 VanDerWaalsContact C-N 3.28Å; L129-I131 PolarHBondContact O-N 3.35Å; I131-P133 VanDerWaalsContact C-N 3.31Å; I131-W134 PolarHBondContact O-N 2.97Å; I131-W134 VanDerWaalsContact O-N 3.14Å; I131-L135 HydrophobicContact CD1-CD1 3.67Å; I131-L135 HydrophobicContact CG1-CD1 4.14Å; I131-L135 PolarHBondContact O-N 3.04Å; I131-Y162 HydrophobicContact CD1-CE1 4.47Å
132W94.6Very high89.5Confident1 Ų134.8 Ų34.80%0.00417%0.174CC..Hα-helixtrans-51.5-42.3-174.1-179.2-109.2000114.1L32 D128 W134 L135 E136 Y162 A163 M166 Q167 L176L32-W132 HydrophobicContact CD1-CB 4.18Å; D128-W132 VanDerWaalsContact O-CB 3.29Å; D128-W132 WeakPolarHBondContact O-CB 3.15Å; D128-W132 PolarHBondContact O-N 2.83Å; W132-W134 PolarHBondContact O-N 2.76Å; W132-W134 VanDerWaalsContact O-N 3.08Å; W132-L135 HydrophobicContact CE3-CB 3.98Å; W132-L135 HydrophobicContact CZ3-CB 4.08Å; W132-L135 CarbonylContact O-C 3.45Å; W132-L135 WeakPolarHBondContact O-CA 3.49Å; W132-L135 PolarHBondContact O-N 2.99Å; W132-E136 HydrophobicContact CZ2-CB 4.1Å; W132-E136 HydrophobicContact CZ2-CG 4.47Å; W132-E136 PolarHBondContact NE1-OE2 2.62Å; W132-E136 PolarHBondContact O-N 2.76Å; W132-Y162 AromaticContact CE3-CE1 3.97Å; W132-Y162 HydrophobicContact CE3-CE1 3.97Å; W132-Y162 HydrophobicContact CZ3-CD1 4.45Å; W132-Y162 HydrophobicContact CZ3-CE1 4.16Å; W132-A163 HydrophobicContact CH2-CB 3.92Å; W132-A163 HydrophobicContact CZ3-CB 3.94Å; W132-M166 HydrophobicContact CB-CE 3.88Å; W132-M166 HydrophobicContact CD2-CB 3.86Å; W132-M166 HydrophobicContact CD2-CE 4.07Å; W132-M166 HydrophobicContact CD2-CG 4.19Å; W132-M166 HydrophobicContact CE3-CB 3.54Å; W132-M166 HydrophobicContact CE3-CE 4.26Å; W132-M166 HydrophobicContact CE3-CG 3.6Å; W132-M166 HydrophobicContact CG-CE 3.91Å; W132-M166 HydrophobicContact CH2-CB 3.7Å; W132-M166 HydrophobicContact CZ2-CB 4Å; W132-M166 HydrophobicContact CZ3-CB 3.49Å; W132-M166 VanDerWaalsContact CZ3-CB 3.49Å; W132-M166 HydrophobicContact CZ3-CG 3.82Å; W132-Q167 HydrophobicContact CH2-CG 3.79Å; W132-Q167 HydrophobicContact CZ2-CG 3.61Å; W132-L176 HydrophobicContact CZ2-CD2 4.11Å
133P95.6Very high91.1Very high0 Ų033.5 Ų33.50%016%0.162CC..Hα-helixtrans-56.2-34.4-178.1-28.836.8000114.2P25 E28 R29 L32 L129 I131 R137P25-P133 HydrophobicContact CB-CB 3.58Å; P25-P133 WeakPolarHBondContact O-CB 3.48Å; P25-P133 WeakPolarHBondContact O-CG 3.24Å; E28-P133 HydrophobicContact CB-CB 4.06Å; E28-P133 HydrophobicContact CB-CG 3.85Å; E28-P133 HydrophobicContact CG-CB 4.29Å; E28-P133 HydrophobicContact CG-CG 3.98Å; E28-P133 WeakPolarHBondContact OE1-CA 3.34Å; R29-P133 HydrophobicContact CG-CG 4.1Å; L32-P133 HydrophobicContact CD1-CG 3.89Å; L129-P133 WeakPolarHBondContact O-CD 3.36Å; I131-P133 VanDerWaalsContact C-N 3.31Å; P133-R137 WeakPolarHBondContact O-CD 3.19Å; P133-R137 PolarHBondContact O-NH1 3.07Å
134W93.8Very high92.2Very high90 Ų9030.1 Ų30.134%0.34114%0.143SC..Hα-helixtrans-75-37.4176-67.7-90.8000112.1P25 Y26 R29 M130 I131 W132 R137 M138P25-W134 HydrophobicContact CB-CZ2 4.39Å; Y26-W134 HydrophobicContact CD1-CH2 4.15Å; Y26-W134 HydrophobicContact CD1-CZ2 4.2Å; Y26-W134 HydrophobicContact CE1-CH2 4.12Å; Y26-W134 AromaticContact CE1-CZ2 3.8Å; Y26-W134 HydrophobicContact CE1-CZ2 3.8Å; R29-W134 HydrophobicContact CG-CZ3 4.32Å; R29-W134 VanDerWaalsContact CZ-CZ3 3.47Å; R29-W134 VanDerWaalsContact NE-CH2 3.31Å; R29-W134 VanDerWaalsContact NE-CZ3 3.29Å; M130-W134 WeakPolarHBondContact O-CZ3 3.09Å; I131-W134 PolarHBondContact O-N 2.97Å; I131-W134 VanDerWaalsContact O-N 3.14Å; W132-W134 PolarHBondContact O-N 2.76Å; W132-W134 VanDerWaalsContact O-N 3.08Å; W134-R137 PolarHBondContact O-N 3.29Å; W134-M138 WeakPolarHBondContact O-CG 3.22Å; W134-M138 PolarHBondContact O-N 3.22Å
135L92.8Very high92.4Very high13 Ų1328.6 Ų28.67%0.06814%0.137CC..Hα-helixtrans-71.3-38.6-179.9-63-173.8000112.4L111 I115 I131 W132 R137 M138 L159 Y162L111-L135 HydrophobicContact CD1-CD1 4.35Å; L111-L135 HydrophobicContact CD1-CD2 4.13Å; L111-L135 HydrophobicContact CD1-CG 4.29Å; L111-L135 HydrophobicContact CD2-CD2 4.32Å; I115-L135 HydrophobicContact CD1-CD1 4.27Å; I115-L135 HydrophobicContact CD1-CD2 4.31Å; I115-L135 HydrophobicContact CG1-CD1 4.17Å; I131-L135 HydrophobicContact CD1-CD1 3.67Å; I131-L135 HydrophobicContact CG1-CD1 4.14Å; I131-L135 PolarHBondContact O-N 3.04Å; W132-L135 HydrophobicContact CE3-CB 3.98Å; W132-L135 HydrophobicContact CZ3-CB 4.08Å; W132-L135 CarbonylContact O-C 3.45Å; W132-L135 WeakPolarHBondContact O-CA 3.49Å; W132-L135 PolarHBondContact O-N 2.99Å; L135-R137 PolarHBondContact O-N 3.23Å; L135-M138 HydrophobicContact CD2-CG 4.34Å; L135-M138 HydrophobicContact CD2-SD 3.61Å; L135-M138 WeakPolarHBondContact O-CB 3.45Å; L135-M138 PolarHBondContact O-N 3.05Å; L135-M138 VanDerWaalsContact O-N 3.09Å; L135-L159 HydrophobicContact CD1-CD1 4.1Å; L135-L159 HydrophobicContact CD2-CD1 3.93Å; L135-Y162 HydrophobicContact CD1-CD1 3.8Å; L135-Y162 HydrophobicContact CD1-CE1 3.38Å
136E94.3Very high92.3Very high11 Ų1136 Ų365%0.05117%0.167CC..Hα-helixtrans-55.5-39.8173-177.6178.2113.400111.8W132 M138 L176 I177 H182W132-E136 HydrophobicContact CZ2-CB 4.1Å; W132-E136 HydrophobicContact CZ2-CG 4.47Å; W132-E136 PolarHBondContact NE1-OE2 2.62Å; W132-E136 PolarHBondContact O-N 2.76Å; E136-M138 VanDerWaalsContact C-N 3.3Å; E136-M138 PolarHBondContact O-N 3.23Å; E136-L176 HydrophobicContact CG-CD2 4.37Å; E136-L176 WeakPolarHBondContact OE2-CD2 3.27Å; E136-I177 PolarHBondContact OE1-N 3.28Å; E136-H182 IonicContact OE1-CD2 2.66Å; E136-H182 IonicContact OE1-CE1 3.79Å; E136-H182 IonicContact OE1-NE2 3.62Å; E136-H182 PolarHBondContact OE1-NE2 3.17Å
137R93.9Very high91.6Very high24 Ų2437.7 Ų37.79%0.09119%0.186CC..THydrogen-bonded Turntrans-79.6-10-178.7-72.6164.1-176.865.8-0.5113.6F23 E28 P133 W134 L135 E139 A140 V141F23-R137 PolarHBondContact O-NE 2.97Å; F23-R137 PolarHBondContact O-NH2 2.98Å; E28-R137 IonicContact OE1-NH1 3.14Å; E28-R137 IonicContact OE2-CZ 2.62Å; E28-R137 IonicContact OE2-NH1 2.75Å; E28-R137 PolarHBondContact OE2-NH1 3.29Å; E28-R137 IonicContact OE2-NH2 2.82Å; E28-R137 PolarHBondContact OE2-NH2 3.29Å; P133-R137 WeakPolarHBondContact O-CD 3.19Å; P133-R137 PolarHBondContact O-NH1 3.07Å; W134-R137 PolarHBondContact O-N 3.29Å; L135-R137 PolarHBondContact O-N 3.23Å; R137-E139 VanDerWaalsContact C-N 3.3Å; R137-E139 PolarHBondContact O-N 3.29Å; R137-A140 PolarHBondContact O-N 3.2Å; R137-A140 VanDerWaalsContact O-N 3.14Å; R137-V141 WeakPolarHBondContact O-CG2 3.48Å; R137-V141 PolarHBondContact O-N 3.25Å
138M91.1Very high91Very high49 Ų4947.2 Ų47.224%0.24122%0.222CC..Hα-helixtrans-60.2-39.2-172.1-83.1-162.368.600113.2W134 L135 E136 V141 T142 V151 L159W134-M138 WeakPolarHBondContact O-CG 3.22Å; W134-M138 PolarHBondContact O-N 3.22Å; L135-M138 HydrophobicContact CD2-CG 4.34Å; L135-M138 HydrophobicContact CD2-SD 3.61Å; L135-M138 WeakPolarHBondContact O-CB 3.45Å; L135-M138 PolarHBondContact O-N 3.05Å; L135-M138 VanDerWaalsContact O-N 3.09Å; E136-M138 VanDerWaalsContact C-N 3.3Å; E136-M138 PolarHBondContact O-N 3.23Å; M138-V141 PolarHBondContact O-N 3.02Å; M138-T142 VanDerWaalsContact O-CB 3.31Å; M138-T142 WeakPolarHBondContact O-CB 3.47Å; M138-T142 PolarHBondContact O-N 2.8Å; M138-T142 PolarHBondContact O-OG1 3.07Å; M138-V151 HydrophobicContact CE-CB 4.05Å; M138-V151 HydrophobicContact CE-CG1 3.72Å; M138-V151 HydrophobicContact CE-CG2 3.6Å; M138-L159 HydrophobicContact CE-CD2 4.06Å; M138-L159 HydrophobicContact SD-CD2 3.85Å
139E90.3Very high90.4Very high86 Ų8650.8 Ų50.840%0.40224%0.241SC..Hα-helixtrans-65.1-43.2178.3-166.2-167162.600111.1R137 T142 K143 T179R137-E139 VanDerWaalsContact C-N 3.3Å; R137-E139 PolarHBondContact O-N 3.29Å; E139-T142 PolarHBondContact O-N 2.9Å; E139-K143 WeakPolarHBondContact O-CG 3.37Å; E139-K143 PolarHBondContact O-N 3.41Å; E139-K143 WeakPolarHBondContact OE1-CE 3.23Å; E139-K143 IonicContact OE1-NZ 2.63Å; E139-K143 PolarHBondContact OE1-NZ 3.35Å; E139-T179 HydrophobicContact CB-CG2 3.86Å; E139-T179 HydrophobicContact CG-CG2 3.89Å; E139-T179 PolarHBondContact OE2-OG1 2.94Å
140A93.3Very high89.4Confident0 Ų059 Ų590%027%0.273CS..Hα-helixtrans-63.8-42.5176.700000111.9R137 T142 K143 Y144 T179 H182 L183 I186R137-A140 PolarHBondContact O-N 3.2Å; R137-A140 VanDerWaalsContact O-N 3.14Å; A140-T142 VanDerWaalsContact C-N 3.35Å; A140-K143 PolarHBondContact O-N 2.7Å; A140-Y144 WeakPolarHBondContact O-CB 3.42Å; A140-Y144 PolarHBondContact O-N 2.91Å; A140-T179 HydrophobicContact CB-CG2 4.07Å; A140-H182 HydrophobicContact CB-CB 3.58Å; A140-L183 HydrophobicContact CB-CB 4.2Å; A140-I186 HydrophobicContact CB-CD1 3.91Å
141V92.1Very high88.8Confident63 Ų6359.8 Ų59.838%0.38228%0.278SS..Hα-helixtrans-62.9-42175.3172.10000111.2R137 M138 Y144 S145 I186R137-V141 WeakPolarHBondContact O-CG2 3.48Å; R137-V141 PolarHBondContact O-N 3.25Å; M138-V141 PolarHBondContact O-N 3.02Å; V141-Y144 PolarHBondContact O-N 3.22Å; V141-S145 WeakPolarHBondContact O-CB 3.41Å; V141-S145 PolarHBondContact O-N 3.28Å; V141-I186 HydrophobicContact CG2-CD1 3.97Å
142T90.2Very high88.1Confident28 Ų2861.1 Ų61.117%0.17229%0.286CS..Hα-helixtrans-61.9-48177.8-61.50000110.6M138 E139 A140 Y144 S145 L149M138-T142 VanDerWaalsContact O-CB 3.31Å; M138-T142 WeakPolarHBondContact O-CB 3.47Å; M138-T142 PolarHBondContact O-N 2.8Å; M138-T142 PolarHBondContact O-OG1 3.07Å; E139-T142 PolarHBondContact O-N 2.9Å; A140-T142 VanDerWaalsContact C-N 3.35Å; T142-Y144 PolarHBondContact O-N 3.39Å; T142-S145 WeakPolarHBondContact O-CB 3.39Å; T142-S145 PolarHBondContact O-N 2.83Å; T142-S145 VanDerWaalsContact O-N 3.15Å; T142-S145 PolarHBondContact O-OG 3.29Å; T142-L149 WeakPolarHBondContact CG2-O 3.27Å
143K90.5Very high87.6Confident110 Ų11064.4 Ų64.448%0.47831%0.308SS..Hα-helixtrans-60.5-42.6175.6-73.1177.3-177171.70112.4E139 A140 S145 E146 T179 L183E139-K143 WeakPolarHBondContact O-CG 3.37Å; E139-K143 PolarHBondContact O-N 3.41Å; E139-K143 WeakPolarHBondContact OE1-CE 3.23Å; E139-K143 IonicContact OE1-NZ 2.63Å; E139-K143 PolarHBondContact OE1-NZ 3.35Å; A140-K143 PolarHBondContact O-N 2.7Å; K143-S145 VanDerWaalsContact C-N 3.28Å; K143-S145 PolarHBondContact O-N 3.3Å; K143-E146 PolarHBondContact O-N 3.43Å; K143-T179 HydrophobicContact CD-CG2 4.45Å; K143-L183 HydrophobicContact CB-CD1 4.3Å; K143-L183 HydrophobicContact CB-CD2 4.12Å; K143-L183 HydrophobicContact CD-CD2 4.37Å
144Y91.3Very high87.1Confident79 Ų7972.8 Ų72.831%0.3135%0.348SS..Hα-helixtrans-65.1-31176.3175.3-101.2000113A140 V141 T142 E146 I186 K187 V190A140-Y144 WeakPolarHBondContact O-CB 3.42Å; A140-Y144 PolarHBondContact O-N 2.91Å; V141-Y144 PolarHBondContact O-N 3.22Å; T142-Y144 PolarHBondContact O-N 3.39Å; Y144-E146 PolarHBondContact O-N 3.44Å; Y144-E146 VanDerWaalsContact O-N 3.16Å; Y144-I186 HydrophobicContact CD1-CG2 3.92Å; Y144-I186 HydrophobicContact CD2-CG2 3.86Å; Y144-I186 HydrophobicContact CE1-CG2 4.38Å; Y144-I186 HydrophobicContact CE2-CG2 4.33Å; Y144-I186 HydrophobicContact CG-CG2 3.65Å; Y144-K187 HydrophobicContact CD2-CG 4.11Å; Y144-K187 HydrophobicContact CE2-CG 4.44Å; Y144-V190 HydrophobicContact CE1-CG1 4.35Å; Y144-V190 HydrophobicContact CE2-CG2 3.97Å; Y144-V190 WeakPolarHBondContact OH-CG2 3.47Å
145S89.1Confident86.7Confident12 Ų1272 Ų728%0.08436%0.356CS..THydrogen-bonded Turntrans-69.2-10.3-177.879.60000114.4V141 T142 K143 G147 R148 L149V141-S145 WeakPolarHBondContact O-CB 3.41Å; V141-S145 PolarHBondContact O-N 3.28Å; T142-S145 WeakPolarHBondContact O-CB 3.39Å; T142-S145 PolarHBondContact O-N 2.83Å; T142-S145 VanDerWaalsContact O-N 3.15Å; T142-S145 PolarHBondContact O-OG 3.29Å; K143-S145 VanDerWaalsContact C-N 3.28Å; K143-S145 PolarHBondContact O-N 3.3Å; S145-G147 VanDerWaalsContact C-N 3.26Å; S145-G147 PolarHBondContact O-N 2.75Å; S145-R148 WeakPolarHBondContact O-CB 3.47Å; S145-R148 WeakPolarHBondContact O-CG 3.46Å; S145-R148 PolarHBondContact O-N 3.44Å; S145-R148 VanDerWaalsContact O-N 3.13Å; S145-R148 PolarHBondContact O-NE 3.01Å; S145-R148 VanDerWaalsContact O-NE 3.11Å; S145-L149 WeakPolarHBondContact OG-CB 3.4Å; S145-L149 PolarHBondContact OG-N 3.13Å; S145-L149 PolarHBondContact OG-O 3.4Å
146E85.3Confident86.5Confident173 Ų17376.2 Ų76.281%0.80837%0.374SS*.THydrogen-bonded Turntrans51.743.3-179.5-65.3179.5-178.200112.5K143 Y144K143-E146 PolarHBondContact O-N 3.43Å; Y144-E146 PolarHBondContact O-N 3.44Å; Y144-E146 VanDerWaalsContact O-N 3.16Å
147G77.3Confident86.3Confident40 Ų4078.6 Ų78.641%0.41239%0.391SS..THydrogen-bonded Turntrans87.81.7177.400000115.2S145 Y150S145-G147 VanDerWaalsContact C-N 3.26Å; S145-G147 PolarHBondContact O-N 2.75Å; G147-Y150 VanDerWaalsContact O-CD2 3.28Å; G147-Y150 WeakPolarHBondContact O-CD2 3.42Å; G147-Y150 WeakPolarHBondContact O-CE2 3.43Å
148R79.4Confident86Confident201 Ų20183.2 Ų83.276%0.75841%0.411SS*.SBendtrans-74.4-27.1171.8-68.8-179.2-71.4170.1-6.3113.1S145S145-R148 WeakPolarHBondContact O-CB 3.47Å; S145-R148 WeakPolarHBondContact O-CG 3.46Å; S145-R148 PolarHBondContact O-N 3.44Å; S145-R148 VanDerWaalsContact O-N 3.13Å; S145-R148 PolarHBondContact O-NE 3.01Å; S145-R148 VanDerWaalsContact O-NE 3.11Å
149L79.5Confident85.8Confident80 Ų8082 Ų8242%0.41941%0.405SS..SBendtrans-112.7126.3170.1-134.7102.1000107.8T142 S145 V151T142-L149 WeakPolarHBondContact CG2-O 3.27Å; S145-L149 WeakPolarHBondContact OG-CB 3.4Å; S145-L149 PolarHBondContact OG-N 3.13Å; S145-L149 PolarHBondContact OG-O 3.4Å; L149-V151 HydrophobicContact CD2-CG2 3.98Å
150Y74.9Confident85.7Confident172 Ų17282.2 Ų82.268%0.67540%0.403SS*.  trans-118.495.6177.7-106.1-94.8000109.9G147 T152G147-Y150 VanDerWaalsContact O-CD2 3.28Å; G147-Y150 WeakPolarHBondContact O-CD2 3.42Å; G147-Y150 WeakPolarHBondContact O-CE2 3.43Å; Y150-T152 HydrophobicContact CD1-CG2 3.89Å; Y150-T152 HydrophobicContact CE1-CG2 4.4Å
151V81.5Confident85.5Confident17 Ų1788 Ų8810%0.10343%0.431CS..  trans-116.1100.6172.4-178.20000106.9M138 L149 F156 L159 Y160M138-V151 HydrophobicContact CE-CB 4.05Å; M138-V151 HydrophobicContact CE-CG1 3.72Å; M138-V151 HydrophobicContact CE-CG2 3.6Å; L149-V151 HydrophobicContact CD2-CG2 3.98Å; V151-F156 HydrophobicContact CB-CD2 4.32Å; V151-F156 HydrophobicContact CG1-CD2 3.79Å; V151-F156 HydrophobicContact CG1-CE2 4.37Å; V151-F156 HydrophobicContact CG1-CG 4.35Å; V151-F156 HydrophobicContact CG2-CE2 4.28Å; V151-L159 HydrophobicContact CG1-CD2 3.84Å; V151-Y160 HydrophobicContact CG1-CE2 4.31Å; V151-Y160 PolarHBondContact O-OH 3.16Å; V151-Y160 VanDerWaalsContact O-OH 3.06Å
152T80.3Confident85.3Confident34 Ų3485.5 Ų85.521%0.20941%0.414CS..  trans-116.6161.2179.865.90000110.3Y150 E154 S155 F156 Y160Y150-T152 HydrophobicContact CD1-CG2 3.89Å; Y150-T152 HydrophobicContact CE1-CG2 4.4Å; T152-E154 PolarHBondContact O-N 2.7Å; T152-S155 PolarHBondContact O-N 3.04Å; T152-S155 PolarHBondContact OG1-N 3.5Å; T152-S155 PolarHBondContact OG1-OG 3.44Å; T152-F156 PolarHBondContact O-N 2.89Å; T152-Y160 WeakPolarHBondContact O-CE2 3.43Å
153C83.6Confident85.3Confident70 Ų7085.1 Ų85.147%0.47341%0.414SS..THydrogen-bonded Turntrans-59.6-31.7174.6-170.20000111.7P157 Y160C153-P157 VanDerWaalsContact O-CA 3.23Å; C153-P157 WeakPolarHBondContact O-CA 3.41Å; C153-P157 WeakPolarHBondContact O-CD 3.49Å; C153-P157 VanDerWaalsContact O-N 3.15Å; C153-Y160 VanDerWaalsContact CA-CD2 3.44Å; C153-Y160 HydrophobicContact CB-CD1 3.86Å; C153-Y160 HydrophobicContact CB-CD2 4.04Å; C153-Y160 HydrophobicContact CB-CE1 4.11Å; C153-Y160 HydrophobicContact CB-CE2 4.27Å; C153-Y160 HydrophobicContact CB-CG 3.81Å
154E84.8Confident85.3Confident176 Ų17688.5 Ų88.582%0.82242%0.424SS*.THydrogen-bonded Turntrans-66.1-47176.8-65.4161.217000111.7T152T152-E154 PolarHBondContact O-N 2.7Å
155S85.6Confident85.2Confident75 Ų7589.1 Ų89.152%0.52443%0.426SS..THydrogen-bonded Turntrans-77.5-30.9-178.4-59.10000112.9T152T152-S155 PolarHBondContact O-N 3.04Å; T152-S155 PolarHBondContact OG1-N 3.5Å; T152-S155 PolarHBondContact OG1-OG 3.44Å
156F88.7Confident85.3Confident101 Ų10188.7 Ų88.744%0.44342%0.422SS..  trans-133.860.4-174.4-58-84.5000112.9V151 T152 K158 L159 Y160V151-F156 HydrophobicContact CB-CD2 4.32Å; V151-F156 HydrophobicContact CG1-CD2 3.79Å; V151-F156 HydrophobicContact CG1-CE2 4.37Å; V151-F156 HydrophobicContact CG1-CG 4.35Å; V151-F156 HydrophobicContact CG2-CE2 4.28Å; T152-F156 PolarHBondContact O-N 2.89Å; F156-K158 VanDerWaalsContact C-N 3.3Å; F156-K158 PolarHBondContact O-N 2.93Å; F156-L159 HydrophobicContact CB-CB 3.92Å; F156-L159 HydrophobicContact CB-CD2 4.33Å; F156-L159 WeakPolarHBondContact O-CB 3.12Å; F156-L159 PolarHBondContact O-N 2.76Å; F156-Y160 PolarHBondContact O-N 3.02Å
157P89.1Confident85.6Confident61 Ų6184.4 Ų84.440%0.39640%0.402SS..Hα-helixtrans-61-37.4-173.723-34.1000112.7C153 L159 Y160 Q161C153-P157 VanDerWaalsContact O-CA 3.23Å; C153-P157 WeakPolarHBondContact O-CA 3.41Å; C153-P157 WeakPolarHBondContact O-CD 3.49Å; C153-P157 VanDerWaalsContact O-N 3.15Å; P157-L159 VanDerWaalsContact C-N 3.33Å; P157-L159 PolarHBondContact O-N 3.03Å; P157-Y160 PolarHBondContact O-N 2.99Å; P157-Q161 WeakPolarHBondContact O-CB 3.43Å; P157-Q161 VanDerWaalsContact O-CG 3.27Å; P157-Q161 WeakPolarHBondContact O-CG 3.24Å; P157-Q161 PolarHBondContact O-N 3.16Å
158K87.9Confident86.3Confident121 Ų12185.6 Ų85.653%0.52640%0.404SS..Hα-helixtrans-64.3-36.4177-69.6-174177.3-177.90112.7V116 F156 Y162V116-K158 HydrophobicContact CB-CD 4.43Å; V116-K158 HydrophobicContact CG1-CD 4.3Å; F156-K158 VanDerWaalsContact C-N 3.3Å; F156-K158 PolarHBondContact O-N 2.93Å; K158-Y162 VanDerWaalsContact O-CB 3.27Å; K158-Y162 WeakPolarHBondContact O-CB 3.38Å; K158-Y162 PolarHBondContact O-N 3.07Å
159L87.1Confident86.8Confident22 Ų2277.5 Ų77.512%0.11538%0.377CS..Hα-helixtrans-66.9-43.4176.7174.760.5000110.8I115 L135 M138 V151 F156 P157 Y162 A163I115-L159 HydrophobicContact CD1-CD1 3.94Å; I115-L159 HydrophobicContact CG1-CD1 4.26Å; I115-L159 HydrophobicContact CG2-CB 4.14Å; I115-L159 HydrophobicContact CG2-CD1 4.26Å; L135-L159 HydrophobicContact CD1-CD1 4.1Å; L135-L159 HydrophobicContact CD2-CD1 3.93Å; M138-L159 HydrophobicContact CE-CD2 4.06Å; M138-L159 HydrophobicContact SD-CD2 3.85Å; V151-L159 HydrophobicContact CG1-CD2 3.84Å; F156-L159 HydrophobicContact CB-CB 3.92Å; F156-L159 HydrophobicContact CB-CD2 4.33Å; F156-L159 WeakPolarHBondContact O-CB 3.12Å; F156-L159 PolarHBondContact O-N 2.76Å; P157-L159 VanDerWaalsContact C-N 3.33Å; P157-L159 PolarHBondContact O-N 3.03Å; L159-Y162 WeakPolarHBondContact O-CB 3.33Å; L159-Y162 PolarHBondContact O-N 3.45Å; L159-A163 WeakPolarHBondContact O-CB 3.48Å; L159-A163 PolarHBondContact O-N 3.49Å
160Y88.6Confident87.4Confident92 Ų9277 Ų7736%0.36138%0.378SS..Hα-helixtrans-66.4-41.2177.2-86.6-101.4000112.2V151 T152 C153 F156 P157 Y162 A163 W164V151-Y160 HydrophobicContact CG1-CE2 4.31Å; V151-Y160 PolarHBondContact O-OH 3.16Å; V151-Y160 VanDerWaalsContact O-OH 3.06Å; T152-Y160 WeakPolarHBondContact O-CE2 3.43Å; C153-Y160 VanDerWaalsContact CA-CD2 3.44Å; C153-Y160 HydrophobicContact CB-CD1 3.86Å; C153-Y160 HydrophobicContact CB-CD2 4.04Å; C153-Y160 HydrophobicContact CB-CE1 4.11Å; C153-Y160 HydrophobicContact CB-CE2 4.27Å; C153-Y160 HydrophobicContact CB-CG 3.81Å; F156-Y160 PolarHBondContact O-N 3.02Å; P157-Y160 PolarHBondContact O-N 2.99Å; Y160-Y162 VanDerWaalsContact C-N 3.3Å; Y160-Y162 PolarHBondContact O-N 3.31Å; Y160-A163 PolarHBondContact O-N 2.91Å; Y160-W164 WeakPolarHBondContact O-CB 3.45Å; Y160-W164 PolarHBondContact O-N 3.04Å
161Q88.3Confident88.3Confident122 Ų12270.4 Ų70.457%0.5735%0.354SS*.Hα-helixtrans-61.6-39.5173-72.5172.111.800112P157 R165P157-Q161 WeakPolarHBondContact O-CB 3.43Å; P157-Q161 VanDerWaalsContact O-CG 3.27Å; P157-Q161 WeakPolarHBondContact O-CG 3.24Å; P157-Q161 PolarHBondContact O-N 3.16Å; Q161-R165 WeakPolarHBondContact O-CB 3.36Å; Q161-R165 PolarHBondContact O-N 3.35Å; Q161-R165 VanDerWaalsContact O-N 3.13Å
162Y89.4Confident88.8Confident10 Ų1069.6 Ų69.64%0.03935%0.349CS..Hα-helixtrans-63.8-48.8174.1173.9-88.6000111.4V114 D128 I131 W132 L135 K158 L159 Y160 W164 R165 M166V114-Y162 HydrophobicContact CG1-CE2 4.31Å; D128-Y162 VanDerWaalsContact CA-OH 3.24Å; D128-Y162 WeakPolarHBondContact CA-OH 3.34Å; D128-Y162 WeakPolarHBondContact CB-OH 3.46Å; D128-Y162 VanDerWaalsContact OD1-CE2 3.3Å; D128-Y162 WeakPolarHBondContact OD1-CE2 3.05Å; D128-Y162 PolarHBondContact OD1-OH 3.14Å; I131-Y162 HydrophobicContact CD1-CE1 4.47Å; W132-Y162 AromaticContact CE3-CE1 3.97Å; W132-Y162 HydrophobicContact CE3-CE1 3.97Å; W132-Y162 HydrophobicContact CZ3-CD1 4.45Å; W132-Y162 HydrophobicContact CZ3-CE1 4.16Å; L135-Y162 HydrophobicContact CD1-CD1 3.8Å; L135-Y162 HydrophobicContact CD1-CE1 3.38Å; K158-Y162 VanDerWaalsContact O-CB 3.27Å; K158-Y162 WeakPolarHBondContact O-CB 3.38Å; K158-Y162 PolarHBondContact O-N 3.07Å; L159-Y162 WeakPolarHBondContact O-CB 3.33Å; L159-Y162 PolarHBondContact O-N 3.45Å; Y160-Y162 VanDerWaalsContact C-N 3.3Å; Y160-Y162 PolarHBondContact O-N 3.31Å; Y162-W164 VanDerWaalsContact C-N 3.35Å; Y162-W164 PolarHBondContact O-N 3.23Å; Y162-R165 WeakPolarHBondContact O-CB 3.41Å; Y162-R165 PolarHBondContact O-N 3.27Å; Y162-R165 VanDerWaalsContact O-N 3.16Å; Y162-M166 HydrophobicContact CD1-CG 4.15Å; Y162-M166 HydrophobicContact CE1-CG 3.6Å; Y162-M166 HydrophobicContact CE2-CG 4.25Å; Y162-M166 HydrophobicContact CE2-SD 4.45Å; Y162-M166 WeakPolarHBondContact O-CG 3.37Å; Y162-M166 PolarHBondContact O-N 3.44Å
163A90.1Very high89.4Confident20 Ų2075.2 Ų75.217%0.16537%0.366CS..Hα-helixtrans-61.9-43-179.700000112.2W132 L159 Y160 R165 M166 Q167W132-A163 HydrophobicContact CH2-CB 3.92Å; W132-A163 HydrophobicContact CZ3-CB 3.94Å; L159-A163 WeakPolarHBondContact O-CB 3.48Å; L159-A163 PolarHBondContact O-N 3.49Å; Y160-A163 PolarHBondContact O-N 2.91Å; A163-R165 VanDerWaalsContact C-N 3.3Å; A163-R165 PolarHBondContact O-N 2.87Å; A163-M166 PolarHBondContact O-N 3.09Å; A163-Q167 WeakPolarHBondContact O-CB 2.91Å; A163-Q167 WeakPolarHBondContact O-CG 3.43Å; A163-Q167 PolarHBondContact O-N 3.26Å
164W89.3Confident89.7Confident180 Ų18077.4 Ų77.468%0.68237%0.373SS*.Hα-helixtrans-59.5-41.9174.9-17879000112Y160 Y162 Q167 S168Y160-W164 WeakPolarHBondContact O-CB 3.45Å; Y160-W164 PolarHBondContact O-N 3.04Å; Y162-W164 VanDerWaalsContact C-N 3.35Å; Y162-W164 PolarHBondContact O-N 3.23Å; W164-Q167 PolarHBondContact O-N 3.18Å; W164-S168 WeakPolarHBondContact O-CB 3.36Å; W164-S168 PolarHBondContact O-N 3.41Å; W164-S168 PolarHBondContact O-OG 2.92Å
165R89.9Confident90.1Very high93 Ų9370.5 Ų70.535%0.35134%0.343SS..Hα-helixtrans-62.2-46.2175.8-170.2-168.1-42.4-165.12.8111.6N122 Q161 Y162 A163 S168N122-R165 PolarHBondContact OD1-NH1 3.44Å; Q161-R165 WeakPolarHBondContact O-CB 3.36Å; Q161-R165 PolarHBondContact O-N 3.35Å; Q161-R165 VanDerWaalsContact O-N 3.13Å; Y162-R165 WeakPolarHBondContact O-CB 3.41Å; Y162-R165 PolarHBondContact O-N 3.27Å; Y162-R165 VanDerWaalsContact O-N 3.16Å; A163-R165 VanDerWaalsContact C-N 3.3Å; A163-R165 PolarHBondContact O-N 2.87Å; R165-S168 WeakPolarHBondContact O-CB 3.43Å; R165-S168 PolarHBondContact O-N 2.74Å
166M91.7Very high90.5Very high3 Ų369.3 Ų69.32%0.01533%0.331CS..Hα-helixtrans-62.2-45.6179.3-70.5-60.5-70.200111.8M124 D128 L129 W132 Y162 A163 S168 V169 I172M124-M166 HydrophobicContact CG-CE 4.07Å; M124-M166 HydrophobicContact CG-SD 3.99Å; M124-M166 HydrophobicContact SD-CE 3.63Å; M124-M166 HydrophobicContact SD-SD 3.94Å; D128-M166 HydrophobicContact CB-CE 3.91Å; D128-M166 HydrophobicContact CB-SD 3.9Å; L129-M166 HydrophobicContact CD2-CE 4.43Å; W132-M166 HydrophobicContact CB-CE 3.88Å; W132-M166 HydrophobicContact CD2-CB 3.86Å; W132-M166 HydrophobicContact CD2-CE 4.07Å; W132-M166 HydrophobicContact CD2-CG 4.19Å; W132-M166 HydrophobicContact CE3-CB 3.54Å; W132-M166 HydrophobicContact CE3-CE 4.26Å; W132-M166 HydrophobicContact CE3-CG 3.6Å; W132-M166 HydrophobicContact CG-CE 3.91Å; W132-M166 HydrophobicContact CH2-CB 3.7Å; W132-M166 HydrophobicContact CZ2-CB 4Å; W132-M166 HydrophobicContact CZ3-CB 3.49Å; W132-M166 VanDerWaalsContact CZ3-CB 3.49Å; W132-M166 HydrophobicContact CZ3-CG 3.82Å; Y162-M166 HydrophobicContact CD1-CG 4.15Å; Y162-M166 HydrophobicContact CE1-CG 3.6Å; Y162-M166 HydrophobicContact CE2-CG 4.25Å; Y162-M166 HydrophobicContact CE2-SD 4.45Å; Y162-M166 WeakPolarHBondContact O-CG 3.37Å; Y162-M166 PolarHBondContact O-N 3.44Å; A163-M166 PolarHBondContact O-N 3.09Å; M166-S168 PolarHBondContact O-N 3.14Å; M166-V169 WeakPolarHBondContact O-CB 3.33Å; M166-V169 PolarHBondContact O-N 3.32Å; M166-V169 VanDerWaalsContact O-N 3.17Å; M166-I172 HydrophobicContact CE-CD1 4.36Å; M166-I172 HydrophobicContact CE-CG1 4.48Å; M166-I172 WeakPolarHBondContact O-CB 3.48Å
167Q91.3Very high90.8Very high83 Ų8365.4 Ų65.439%0.38831%0.314SS..Hα-helixtrans-68.2-20.6178.2-69.1172.4-17.600113.3W132 A163 W164 V169 L176W132-Q167 HydrophobicContact CH2-CG 3.79Å; W132-Q167 HydrophobicContact CZ2-CG 3.61Å; A163-Q167 WeakPolarHBondContact O-CB 2.91Å; A163-Q167 WeakPolarHBondContact O-CG 3.43Å; A163-Q167 PolarHBondContact O-N 3.26Å; W164-Q167 PolarHBondContact O-N 3.18Å; Q167-V169 VanDerWaalsContact C-N 3.31Å; Q167-L176 HydrophobicContact CB-CD1 4.38Å; Q167-L176 HydrophobicContact CG-CD1 4.11Å; Q167-L176 HydrophobicContact CG-CD2 4.47Å
168S90.7Very high91Very high64 Ų6465.3 Ų65.345%0.44831%0.313SS..THydrogen-bonded Turntrans-79.6-12.5176.3-61.60000113.2W164 R165 M166W164-S168 WeakPolarHBondContact O-CB 3.36Å; W164-S168 PolarHBondContact O-N 3.41Å; W164-S168 PolarHBondContact O-OG 2.92Å; R165-S168 WeakPolarHBondContact O-CB 3.43Å; R165-S168 PolarHBondContact O-N 2.74Å; M166-S168 PolarHBondContact O-N 3.14Å
169V90.7Very high91.3Very high31 Ų3161 Ų6119%0.18830%0.297CS..SBendtrans-78.7123176.1179.40000109.4M124 M166 Q167 E171 I172 R173M124-V169 HydrophobicContact CE-CG1 3.85Å; M124-V169 HydrophobicContact SD-CG1 4.38Å; M124-V169 HydrophobicContact SD-CG2 4.28Å; M166-V169 WeakPolarHBondContact O-CB 3.33Å; M166-V169 PolarHBondContact O-N 3.32Å; M166-V169 VanDerWaalsContact O-N 3.17Å; Q167-V169 VanDerWaalsContact C-N 3.31Å; V169-E171 VanDerWaalsContact C-N 3.32Å; V169-E171 HydrophobicContact CG1-CB 4.4Å; V169-E171 VanDerWaalsContact CG1-OE2 3.24Å; V169-E171 WeakPolarHBondContact CG1-OE2 3.23Å; V169-E171 PolarHBondContact O-N 3.35Å; V169-I172 HydrophobicContact CB-CB 4.18Å; V169-I172 HydrophobicContact CB-CG1 3.7Å; V169-I172 HydrophobicContact CG1-CG1 3.82Å; V169-I172 PolarHBondContact O-N 2.97Å; V169-I172 VanDerWaalsContact O-N 3.07Å; V169-R173 PolarHBondContact O-N 2.85Å
170P93Very high91.7Very high69 Ų6963.8 Ų63.845%0.44831%0.312SS..Hα-helixtrans-54.8-43.7-176.5-27.535.4000113.7I172 R173 D174P170-I172 PolarHBondContact O-N 3.4Å; P170-R173 PolarHBondContact O-N 3.12Å; P170-D174 PolarHBondContact O-N 3.45Å
171E92.4Very high92.1Very high34 Ų3460.7 Ų60.716%0.15930%0.301CS..Hα-helixtrans-63.7-29.9-179.7-6682.3-174.400113.7A35 V36 K38 V169A35-E171 HydrophobicContact CB-CB 4.27Å; V36-E171 HydrophobicContact CG2-CB 3.9Å; K38-E171 WeakPolarHBondContact CE-OE1 3.31Å; K38-E171 IonicContact NZ-OE1 2.76Å; K38-E171 PolarHBondContact NZ-OE1 3.35Å; V169-E171 VanDerWaalsContact C-N 3.32Å; V169-E171 HydrophobicContact CG1-CB 4.4Å; V169-E171 VanDerWaalsContact CG1-OE2 3.24Å; V169-E171 WeakPolarHBondContact CG1-OE2 3.23Å; V169-E171 PolarHBondContact O-N 3.35Å
172I92.2Very high92.4Very high0 Ų055 Ų550%028%0.275CS..Hα-helixtrans-79.5-46.3176.5-53.3-61.9000108.7L32 V36 M124 L129 M166 V169 P170 D174 V175 L176L32-I172 HydrophobicContact CD2-CD1 3.44Å; L32-I172 VanDerWaalsContact CD2-CD1 3.44Å; L32-I172 HydrophobicContact CD2-CG2 4.15Å; V36-I172 HydrophobicContact CG2-CD1 4.07Å; M124-I172 HydrophobicContact CE-CD1 3.99Å; M124-I172 HydrophobicContact CE-CG1 4.17Å; M124-I172 HydrophobicContact SD-CD1 3.57Å; M124-I172 VanDerWaalsContact SD-CD1 3.57Å; M124-I172 HydrophobicContact SD-CG1 3.67Å; L129-I172 HydrophobicContact CD2-CD1 3.61Å; M166-I172 HydrophobicContact CE-CD1 4.36Å; M166-I172 HydrophobicContact CE-CG1 4.48Å; M166-I172 WeakPolarHBondContact O-CB 3.48Å; V169-I172 HydrophobicContact CB-CB 4.18Å; V169-I172 HydrophobicContact CB-CG1 3.7Å; V169-I172 HydrophobicContact CG1-CG1 3.82Å; V169-I172 PolarHBondContact O-N 2.97Å; V169-I172 VanDerWaalsContact O-N 3.07Å; P170-I172 PolarHBondContact O-N 3.4Å; I172-D174 PolarHBondContact O-N 2.82Å; I172-V175 VanDerWaalsContact O-CG2 3.23Å; I172-V175 WeakPolarHBondContact O-CG2 3.47Å; I172-V175 PolarHBondContact O-N 2.75Å; I172-L176 HydrophobicContact CG2-CD2 4.03Å; I172-L176 WeakPolarHBondContact O-CG 3.44Å; I172-L176 PolarHBondContact O-N 3.25Å
173R92.5Very high92.7Very high153 Ų15355.9 Ų55.958%0.57728%0.28SS*.Hα-helixtrans-53.5-41.7179.4-167.5-175.165178-1.6112.6V169 P170 V175 L176V169-R173 PolarHBondContact O-N 2.85Å; P170-R173 PolarHBondContact O-N 3.12Å; R173-V175 PolarHBondContact O-N 3.04Å; R173-L176 HydrophobicContact CB-CD1 4.46Å; R173-L176 HydrophobicContact CG-CD1 4.27Å; R173-L176 PolarHBondContact O-N 2.89Å
174D90.4Very high93Very high115 Ų11559 Ų5962%0.61529%0.291SS*.THydrogen-bonded Turntrans-68.9-15.9-176.7-65.7-12.6000113.4P170 I172P170-D174 PolarHBondContact O-N 3.45Å; I172-D174 PolarHBondContact O-N 2.82Å
175V93.1Very high93.4Very high31 Ų3151.4 Ų51.419%0.18826%0.263CS..THydrogen-bonded Turntrans-111.6-0.2176.8-57.50000113.8L32 A35 I172 R173L32-V175 HydrophobicContact CD2-CG2 3.51Å; L32-V175 HydrophobicContact CG-CG2 4.38Å; A35-V175 HydrophobicContact CB-CG1 4.18Å; I172-V175 VanDerWaalsContact O-CG2 3.23Å; I172-V175 WeakPolarHBondContact O-CG2 3.47Å; I172-V175 PolarHBondContact O-N 2.75Å; R173-V175 PolarHBondContact O-N 3.04Å
176L93.8Very high93.6Very high51 Ų5148.4 Ų48.427%0.26725%0.254SS..PPolyproline II helixtrans-61.2140.6180-69.4178.2000111.4W132 E136 Q167 I172 R173W132-L176 HydrophobicContact CZ2-CD2 4.11Å; E136-L176 HydrophobicContact CG-CD2 4.37Å; E136-L176 WeakPolarHBondContact OE2-CD2 3.27Å; Q167-L176 HydrophobicContact CB-CD1 4.38Å; Q167-L176 HydrophobicContact CG-CD1 4.11Å; Q167-L176 HydrophobicContact CG-CD2 4.47Å; I172-L176 HydrophobicContact CG2-CD2 4.03Å; I172-L176 WeakPolarHBondContact O-CG 3.44Å; I172-L176 PolarHBondContact O-N 3.25Å; R173-L176 HydrophobicContact CB-CD1 4.46Å; R173-L176 HydrophobicContact CG-CD1 4.27Å; R173-L176 PolarHBondContact O-N 2.89Å
177I94.6Very high93.8Very high19 Ų1953.7 Ų53.710%0.09728%0.276CS..PPolyproline II helixtrans-100.6129165.4-67.2170.8000108.5R22 F23 E136 M181 H182R22-I177 HydrophobicContact CG-CD1 3.96Å; R22-I177 WeakPolarHBondContact O-CD1 3.05Å; F23-I177 HydrophobicContact CD1-CD1 4.07Å; F23-I177 HydrophobicContact CD1-CG2 4.21Å; F23-I177 HydrophobicContact CE1-CD1 4.33Å; F23-I177 HydrophobicContact CE1-CG2 3.78Å; E136-I177 PolarHBondContact OE1-N 3.28Å; I177-M181 HydrophobicContact CG2-CB 3.74Å; I177-H182 WeakPolarHBondContact CB-NE2 3.36Å; I177-H182 PolarHBondContact O-CD2 3.46Å
178P94.5Very high94Very high59 Ų5950.6 Ų50.638%0.38326%0.264SS..PPolyproline II helixtrans-54.5142.5177.5-28.336.4000113D180 M181 H182 M199P178-D180 WeakPolarHBondContact CB-OD1 3.45Å; P178-D180 PolarHBondContact O-N 3.44Å; P178-M181 HydrophobicContact CB-CB 4.45Å; P178-M181 HydrophobicContact CB-CG 4.03Å; P178-M181 HydrophobicContact CG-CG 4.27Å; P178-M181 WeakPolarHBondContact O-CA 3.5Å; P178-M181 WeakPolarHBondContact O-CB 3.47Å; P178-M181 PolarHBondContact O-N 3.32Å; P178-H182 PolarHBondContact O-N 3.4Å; P178-H182 VanDerWaalsContact O-N 3.12Å; P178-M199 HydrophobicContact CG-CE 4.46Å
179T93.7Very high94.1Very high31 Ų3154 Ų5419%0.1927%0.268CS..Hα-helixtrans-55-39.2-177.3-60.50000112.8E139 A140 K143 M181 H182 L183E139-T179 HydrophobicContact CB-CG2 3.86Å; E139-T179 HydrophobicContact CG-CG2 3.89Å; E139-T179 PolarHBondContact OE2-OG1 2.94Å; A140-T179 HydrophobicContact CB-CG2 4.07Å; K143-T179 HydrophobicContact CD-CG2 4.45Å; T179-M181 VanDerWaalsContact C-N 3.3Å; T179-M181 PolarHBondContact O-N 2.91Å; T179-H182 PolarHBondContact O-N 3.46Å; T179-L183 WeakPolarHBondContact O-CB 3.23Å; T179-L183 PolarHBondContact O-N 2.9Å
180D95Very high94.2Very high80 Ų8056.1 Ų56.143%0.42828%0.281SS..Hα-helixtrans-66-33.1178.764.6-50.7000112.2P178 L183 Q184P178-D180 WeakPolarHBondContact CB-OD1 3.45Å; P178-D180 PolarHBondContact O-N 3.44Å; D180-L183 PolarHBondContact O-N 3.37Å; D180-Q184 WeakPolarHBondContact O-CB 3.35Å; D180-Q184 VanDerWaalsContact O-CG 3.28Å; D180-Q184 WeakPolarHBondContact O-CG 3.09Å; D180-Q184 PolarHBondContact O-N 3.19Å
181M96.5Very high94.2Very high26 Ų2657.6 Ų57.613%0.12829%0.289CS..Hα-helixtrans-70.3-43174.9-63.1-69.7117.700111.5F23 I177 P178 T179 L183 Q184 F185 L198 M199F23-M181 HydrophobicContact CE1-CB 4.29Å; I177-M181 HydrophobicContact CG2-CB 3.74Å; P178-M181 HydrophobicContact CB-CB 4.45Å; P178-M181 HydrophobicContact CB-CG 4.03Å; P178-M181 HydrophobicContact CG-CG 4.27Å; P178-M181 WeakPolarHBondContact O-CA 3.5Å; P178-M181 WeakPolarHBondContact O-CB 3.47Å; P178-M181 PolarHBondContact O-N 3.32Å; T179-M181 VanDerWaalsContact C-N 3.3Å; T179-M181 PolarHBondContact O-N 2.91Å; M181-L183 VanDerWaalsContact C-N 3.31Å; M181-L183 PolarHBondContact O-N 2.97Å; M181-Q184 VanDerWaalsContact CE-NE2 3.26Å; M181-Q184 PolarHBondContact O-N 2.93Å; M181-F185 WeakPolarHBondContact O-CB 3.34Å; M181-F185 PolarHBondContact O-N 2.69Å; M181-L198 HydrophobicContact SD-CB 4.34Å; M181-M199 HydrophobicContact CB-CG 4.23Å; M181-M199 HydrophobicContact CB-SD 4.22Å; M181-M199 HydrophobicContact CG-CG 3.98Å; M181-M199 HydrophobicContact CG-SD 3.43Å; M181-M199 WeakPolarHBondContact CG-SD 3.28Å; M181-M199 HydrophobicContact SD-CG 3.9Å; M181-M199 HydrophobicContact SD-SD 3.6Å
182H96.4Very high94.2Very high2 Ų258.3 Ų58.31%0.00931%0.305CS..Hα-helixtrans-59-43.6170.7-79.8-50.3000111.6F23 E136 A140 I177 P178 T179 F185 I186F23-H182 AromaticContact CD1-ND1 3.82Å; E136-H182 IonicContact OE1-CD2 2.66Å; E136-H182 IonicContact OE1-CE1 3.79Å; E136-H182 IonicContact OE1-NE2 3.62Å; E136-H182 PolarHBondContact OE1-NE2 3.17Å; A140-H182 HydrophobicContact CB-CB 3.58Å; I177-H182 WeakPolarHBondContact CB-NE2 3.36Å; I177-H182 PolarHBondContact O-CD2 3.46Å; P178-H182 PolarHBondContact O-N 3.4Å; P178-H182 VanDerWaalsContact O-N 3.12Å; T179-H182 PolarHBondContact O-N 3.46Å; H182-F185 PolarHBondContact O-N 3.38Å; H182-I186 WeakPolarHBondContact O-CB 3.48Å; H182-I186 VanDerWaalsContact O-CG1 3.23Å; H182-I186 WeakPolarHBondContact O-CG1 3.49Å; H182-I186 PolarHBondContact O-N 3.12Å
183L95.4Very high94.1Very high29 Ų2964.4 Ų64.415%0.15234%0.337CS..Hα-helixtrans-62.9-44.5178.6177.359.6000111.8A140 K143 T179 D180 M181 I186 K187A140-L183 HydrophobicContact CB-CB 4.2Å; K143-L183 HydrophobicContact CB-CD1 4.3Å; K143-L183 HydrophobicContact CB-CD2 4.12Å; K143-L183 HydrophobicContact CD-CD2 4.37Å; T179-L183 WeakPolarHBondContact O-CB 3.23Å; T179-L183 PolarHBondContact O-N 2.9Å; D180-L183 PolarHBondContact O-N 3.37Å; M181-L183 VanDerWaalsContact C-N 3.31Å; M181-L183 PolarHBondContact O-N 2.97Å; L183-I186 PolarHBondContact O-N 3.33Å; L183-K187 HydrophobicContact CD1-CG 4.44Å; L183-K187 HydrophobicContact CG-CD 4.45Å; L183-K187 WeakPolarHBondContact O-CG 3.5Å; L183-K187 PolarHBondContact O-N 3.25Å
184Q96.1Very high94.2Very high87 Ų8758.1 Ų58.141%0.40732%0.316SS..Hα-helixtrans-62.6-43175.6-74.1179.250.500111.5D180 M181 K187 S188 L198D180-Q184 WeakPolarHBondContact O-CB 3.35Å; D180-Q184 VanDerWaalsContact O-CG 3.28Å; D180-Q184 WeakPolarHBondContact O-CG 3.09Å; D180-Q184 PolarHBondContact O-N 3.19Å; M181-Q184 VanDerWaalsContact CE-NE2 3.26Å; M181-Q184 PolarHBondContact O-N 2.93Å; Q184-K187 PolarHBondContact O-N 3.26Å; Q184-S188 PolarHBondContact O-N 3.42Å; Q184-S188 PolarHBondContact O-OG 2.99Å; Q184-L198 HydrophobicContact CB-CD1 3.8Å; Q184-L198 HydrophobicContact CB-CD2 4.15Å
185F96.5Very high94.3Very high19 Ų1956 Ų568%0.08331%0.305CS..Hα-helixtrans-60-50175.1176.9-104.7000111.1M21 F23 M181 H182 K187 S188 Y189 P194 Y196 L198M21-F185 HydrophobicContact CE-CZ 3.92Å; M21-F185 HydrophobicContact SD-CE2 4.49Å; M21-F185 HydrophobicContact SD-CZ 4.28Å; F23-F185 HydrophobicContact CB-CD1 3.47Å; F23-F185 VanDerWaalsContact CB-CD1 3.47Å; F23-F185 HydrophobicContact CB-CD2 3.94Å; F23-F185 HydrophobicContact CB-CE1 3.51Å; F23-F185 HydrophobicContact CB-CE2 3.97Å; F23-F185 HydrophobicContact CB-CG 3.69Å; F23-F185 HydrophobicContact CB-CZ 3.76Å; F23-F185 HydrophobicContact CD1-CB 3.67Å; F23-F185 HydrophobicContact CD1-CD1 4.14Å; F23-F185 HydrophobicContact CD1-CD2 4.34Å; F23-F185 AromaticContact CD1-CG 3.78Å; F23-F185 HydrophobicContact CD1-CG 3.78Å; F23-F185 HydrophobicContact CD2-CB 4.15Å; F23-F185 HydrophobicContact CD2-CD1 4.39Å; F23-F185 AromaticContact CD2-CD2 3.39Å; F23-F185 HydrophobicContact CD2-CD2 3.39Å; F23-F185 AromaticContact CD2-CE2 3.84Å; F23-F185 HydrophobicContact CD2-CE2 3.84Å; F23-F185 AromaticContact CD2-CG 3.71Å; F23-F185 HydrophobicContact CD2-CG 3.71Å; F23-F185 HydrophobicContact CD2-CZ 4.5Å; F23-F185 HydrophobicContact CE1-CB 3.81Å; F23-F185 HydrophobicContact CE1-CG 4.33Å; F23-F185 HydrophobicContact CE2-CB 4.29Å; F23-F185 AromaticContact CE2-CD2 3.95Å; F23-F185 HydrophobicContact CE2-CD2 3.95Å; F23-F185 HydrophobicContact CE2-CG 4.28Å; F23-F185 HydrophobicContact CG-CB 3.86Å; F23-F185 AromaticContact CG-CD1 3.76Å; F23-F185 HydrophobicContact CG-CD1 3.76Å; F23-F185 AromaticContact CG-CD2 3.62Å; F23-F185 HydrophobicContact CG-CD2 3.62Å; F23-F185 HydrophobicContact CG-CE1 4.22Å; F23-F185 HydrophobicContact CG-CE2 4.1Å; F23-F185 AromaticContact CG-CG 3.43Å; F23-F185 HydrophobicContact CG-CG 3.43Å; F23-F185 VanDerWaalsContact CG-CG 3.43Å; F23-F185 HydrophobicContact CG-CZ 4.37Å; F23-F185 HydrophobicContact CZ-CB 4.13Å; M181-F185 WeakPolarHBondContact O-CB 3.34Å; M181-F185 PolarHBondContact O-N 2.69Å; H182-F185 PolarHBondContact O-N 3.38Å; F185-K187 VanDerWaalsContact C-N 3.33Å; F185-K187 PolarHBondContact O-N 3.29Å; F185-S188 PolarHBondContact O-N 2.95Å; F185-S188 VanDerWaalsContact O-N 3.12Å; F185-S188 PolarHBondContact O-OG 3.15Å; F185-Y189 HydrophobicContact CE1-CD2 4.12Å; F185-Y189 HydrophobicContact CE1-CG 4.44Å; F185-Y189 HydrophobicContact CE2-CD2 4.36Å; F185-Y189 AromaticContact CZ-CD2 3.66Å; F185-Y189 HydrophobicContact CZ-CD2 3.66Å; F185-Y189 HydrophobicContact CZ-CE2 4.4Å; F185-Y189 HydrophobicContact CZ-CG 4.35Å; F185-Y189 WeakPolarHBondContact O-CB 3.48Å; F185-Y189 PolarHBondContact O-N 3.42Å; F185-P194 HydrophobicContact CE2-CB 4.08Å; F185-Y196 AromaticContact CE2-CD1 3.81Å; F185-Y196 HydrophobicContact CE2-CD1 3.81Å; F185-Y196 AromaticContact CE2-CE1 3.74Å; F185-Y196 HydrophobicContact CE2-CE1 3.74Å; F185-Y196 HydrophobicContact CZ-CE1 4.13Å; F185-L198 HydrophobicContact CB-CD1 3.85Å; F185-L198 VanDerWaalsContact N-CD1 3.34Å
186I94.9Very high94.3Very high31 Ų3155.2 Ų55.216%0.15930%0.299CS..Hα-helixtrans-54.4-49.2177.4-70.9163.2000110.5A140 V141 Y144 H182 L183 S188 Y189 V190A140-I186 HydrophobicContact CB-CD1 3.91Å; V141-I186 HydrophobicContact CG2-CD1 3.97Å; Y144-I186 HydrophobicContact CD1-CG2 3.92Å; Y144-I186 HydrophobicContact CD2-CG2 3.86Å; Y144-I186 HydrophobicContact CE1-CG2 4.38Å; Y144-I186 HydrophobicContact CE2-CG2 4.33Å; Y144-I186 HydrophobicContact CG-CG2 3.65Å; H182-I186 WeakPolarHBondContact O-CB 3.48Å; H182-I186 VanDerWaalsContact O-CG1 3.23Å; H182-I186 WeakPolarHBondContact O-CG1 3.49Å; H182-I186 PolarHBondContact O-N 3.12Å; L183-I186 PolarHBondContact O-N 3.33Å; I186-S188 VanDerWaalsContact C-N 3.31Å; I186-S188 PolarHBondContact O-N 3.16Å; I186-Y189 PolarHBondContact O-N 2.93Å; I186-Y189 VanDerWaalsContact O-N 3.16Å; I186-V190 HydrophobicContact CG2-CG1 4.45Å; I186-V190 WeakPolarHBondContact O-CG1 3.21Å; I186-V190 WeakPolarHBondContact O-CG2 3.36Å; I186-V190 PolarHBondContact O-N 3.41Å
187K95.3Very high94.1Very high113 Ų11356.3 Ų56.349%0.49130%0.304SS..Hα-helixtrans-57.8-41.3178.5-75.3176.9177.9-174.40112.7Y144 L183 Q184 F185 V190 T191Y144-K187 HydrophobicContact CD2-CG 4.11Å; Y144-K187 HydrophobicContact CE2-CG 4.44Å; L183-K187 HydrophobicContact CD1-CG 4.44Å; L183-K187 HydrophobicContact CG-CD 4.45Å; L183-K187 WeakPolarHBondContact O-CG 3.5Å; L183-K187 PolarHBondContact O-N 3.25Å; Q184-K187 PolarHBondContact O-N 3.26Å; F185-K187 VanDerWaalsContact C-N 3.33Å; F185-K187 PolarHBondContact O-N 3.29Å; K187-V190 WeakPolarHBondContact O-CG2 3.44Å; K187-T191 WeakPolarHBondContact O-CG2 3.45Å
188S95.3Very high93.9Very high18 Ų1857.3 Ų57.313%0.12631%0.31CS..Hα-helixtrans-74-33.4177.170.70000113.1Q184 F185 I186 T191 L193 N195Q184-S188 PolarHBondContact O-N 3.42Å; Q184-S188 PolarHBondContact O-OG 2.99Å; F185-S188 PolarHBondContact O-N 2.95Å; F185-S188 VanDerWaalsContact O-N 3.12Å; F185-S188 PolarHBondContact O-OG 3.15Å; I186-S188 VanDerWaalsContact C-N 3.31Å; I186-S188 PolarHBondContact O-N 3.16Å; S188-T191 PolarHBondContact O-N 3.46Å; S188-T191 PolarHBondContact O-OG1 3.06Å; S188-L193 WeakPolarHBondContact CB-O 3.39Å; S188-L193 CarbonylContact O-C 3.3Å; S188-L193 PolarHBondContact O-N 2.94Å; S188-N195 PolarHBondContact OG-N 2.91Å
189Y93.4Very high93.5Very high135 Ų13558 Ų5853%0.52931%0.309SS..Hα-helixtrans-68.6-43-179.2-170.1-88.3000111.2F185 I186 T191 G192 P194F185-Y189 HydrophobicContact CE1-CD2 4.12Å; F185-Y189 HydrophobicContact CE1-CG 4.44Å; F185-Y189 HydrophobicContact CE2-CD2 4.36Å; F185-Y189 AromaticContact CZ-CD2 3.66Å; F185-Y189 HydrophobicContact CZ-CD2 3.66Å; F185-Y189 HydrophobicContact CZ-CE2 4.4Å; F185-Y189 HydrophobicContact CZ-CG 4.35Å; F185-Y189 WeakPolarHBondContact O-CB 3.48Å; F185-Y189 PolarHBondContact O-N 3.42Å; I186-Y189 PolarHBondContact O-N 2.93Å; I186-Y189 VanDerWaalsContact O-N 3.16Å; Y189-T191 VanDerWaalsContact C-N 3.25Å; Y189-T191 PolarHBondContact O-N 3.31Å; Y189-G192 PolarHBondContact O-N 2.66Å; Y189-P194 HydrophobicContact CD2-CB 3.85Å; Y189-P194 HydrophobicContact CD2-CG 4.41Å
190V92Very high92.9Very high77 Ų7759.9 Ų59.947%0.46732%0.32SS..Hα-helixtrans-68.6-20.8-179.6-62.30000113.8Y144 I186 K187 G192Y144-V190 HydrophobicContact CE1-CG1 4.35Å; Y144-V190 HydrophobicContact CE2-CG2 3.97Å; Y144-V190 WeakPolarHBondContact OH-CG2 3.47Å; I186-V190 HydrophobicContact CG2-CG1 4.45Å; I186-V190 WeakPolarHBondContact O-CG1 3.21Å; I186-V190 WeakPolarHBondContact O-CG2 3.36Å; I186-V190 PolarHBondContact O-N 3.41Å; K187-V190 WeakPolarHBondContact O-CG2 3.44Å; V190-G192 VanDerWaalsContact C-N 3.26Å
191T93.8Very high91Very high100 Ų10069.3 Ų69.361%0.61336%0.357SS*.THydrogen-bonded Turntrans-85.11.1173.859.90000112.8K187 S188 Y189 L193K187-T191 WeakPolarHBondContact O-CG2 3.45Å; S188-T191 PolarHBondContact O-N 3.46Å; S188-T191 PolarHBondContact O-OG1 3.06Å; Y189-T191 VanDerWaalsContact C-N 3.25Å; Y189-T191 PolarHBondContact O-N 3.31Å; T191-L193 VanDerWaalsContact C-N 3.26Å; T191-L193 PolarHBondContact O-N 2.93Å
192G91.7Very high90.7Very high48 Ų4871.5 Ų71.550%0.49537%0.369SS..THydrogen-bonded Turntrans79.53.4-178.600000114.5Y189 V190 P194Y189-G192 PolarHBondContact O-N 2.66Å; V190-G192 VanDerWaalsContact C-N 3.26Å; G192-P194 VanDerWaalsContact C-CD 3.45Å; G192-P194 WeakPolarHBondContact O-CD 3.35Å
193L92Very high90.4Very high129 Ų12975.1 Ų75.168%0.67539%0.388SS*.  trans-124.767.7-179.6-66.4174.3000110.1S188 T191 N195S188-L193 WeakPolarHBondContact CB-O 3.39Å; S188-L193 CarbonylContact O-C 3.3Å; S188-L193 PolarHBondContact O-N 2.94Å; T191-L193 VanDerWaalsContact C-N 3.26Å; T191-L193 PolarHBondContact O-N 2.93Å; L193-N195 PolarHBondContact O-N 3.11Å
194P93.2Very high90.1Very high20 Ų2077.7 Ų77.713%0.1340%0.401CS..  trans-60.4124.9-176.724.9-34.6000111.6F185 Y189 G192 Y196F185-P194 HydrophobicContact CE2-CB 4.08Å; Y189-P194 HydrophobicContact CD2-CB 3.85Å; Y189-P194 HydrophobicContact CD2-CG 4.41Å; G192-P194 VanDerWaalsContact C-CD 3.45Å; G192-P194 WeakPolarHBondContact O-CD 3.35Å; P194-Y196 HydrophobicContact CB-CE1 4.01Å; P194-Y196 HydrophobicContact CB-CE2 4.18Å; P194-Y196 HydrophobicContact CG-CE1 4.34Å; P194-Y196 HydrophobicContact CG-CE2 3.78Å; P194-Y196 WeakPolarHBondContact CG-OH 3.43Å; P194-Y196 PolarHBondContact O-N 2.99Å
195N92.7Very high89.8Confident72 Ų7277.1 Ų77.139%0.38540%0.401SS..  trans-87.2100.6172.1-173-9.1000109.4S188 L193 D197 L198S188-N195 PolarHBondContact OG-N 2.91Å; L193-N195 PolarHBondContact O-N 3.11Å; N195-D197 PolarHBondContact OD1-N 3.13Å; N195-L198 HydrophobicContact CB-CD1 4.43Å; N195-L198 HydrophobicContact CB-CD2 4.14Å; N195-L198 HydrophobicContact CB-CG 4.01Å; N195-L198 WeakPolarHBondContact ND2-CD2 3.47Å; N195-L198 WeakPolarHBondContact O-CD1 3.28Å; N195-L198 WeakPolarHBondContact O-CG 3.15Å
196Y92.4Very high89.4Confident14 Ų1480.8 Ų80.86%0.05542%0.421CS..THydrogen-bonded Turntrans-77.7-21.9179.8-75.2-46.1000113.6M1 M21 N47 L49 F185 P194M1-Y196 HydrophobicContact CE-CD1 3.74Å; M1-Y196 HydrophobicContact CE-CG 3.79Å; M1-Y196 VanDerWaalsContact CE-O 3.22Å; M1-Y196 WeakPolarHBondContact CE-O 3.47Å; M1-Y196 WeakPolarHBondContact SD-CB 3.28Å; M1-Y196 HydrophobicContact SD-CD1 3.94Å; M1-Y196 HydrophobicContact SD-CD2 4.35Å; M1-Y196 HydrophobicContact SD-CG 3.65Å; M21-Y196 HydrophobicContact CE-CE1 4.09Å; M21-Y196 HydrophobicContact CG-CD1 3.78Å; M21-Y196 HydrophobicContact CG-CE1 3.67Å; M21-Y196 HydrophobicContact SD-CD1 3.81Å; M21-Y196 HydrophobicContact SD-CE1 3.73Å; N47-Y196 HydrophobicContact CB-CD2 4.49Å; N47-Y196 VanDerWaalsContact OD1-CE2 3.31Å; N47-Y196 WeakPolarHBondContact OD1-CE2 3.47Å; L49-Y196 HydrophobicContact CB-CE2 4.14Å; F185-Y196 AromaticContact CE2-CD1 3.81Å; F185-Y196 HydrophobicContact CE2-CD1 3.81Å; F185-Y196 AromaticContact CE2-CE1 3.74Å; F185-Y196 HydrophobicContact CE2-CE1 3.74Å; F185-Y196 HydrophobicContact CZ-CE1 4.13Å; P194-Y196 HydrophobicContact CB-CE1 4.01Å; P194-Y196 HydrophobicContact CB-CE2 4.18Å; P194-Y196 HydrophobicContact CG-CE1 4.34Å; P194-Y196 HydrophobicContact CG-CE2 3.78Å; P194-Y196 WeakPolarHBondContact CG-OH 3.43Å; P194-Y196 PolarHBondContact O-N 2.99Å
197D89.8Confident89Confident73 Ų7384.1 Ų84.139%0.3944%0.438SS..THydrogen-bonded Turntrans-100.915.4-167.5-62.5-52.6000113M1 N195 M199 T200M1-D197 PolarHBondContact N-OD1 3.08Å; N195-D197 PolarHBondContact OD1-N 3.13Å; D197-M199 PolarHBondContact O-N 3.3Å; D197-T200 VanDerWaalsContact C-OG1 3.23Å; D197-T200 WeakPolarHBondContact CA-OG1 3.46Å; D197-T200 VanDerWaalsContact CB-OG1 3.24Å; D197-T200 WeakPolarHBondContact CB-OG1 3.37Å; D197-T200 PolarHBondContact O-N 3.43Å; D197-T200 PolarHBondContact O-OG1 3.3Å
198L90.3Very high88.6Confident40 Ų4082 Ų8221%0.20943%0.434CS..THydrogen-bonded Turntrans-53.5-23.5179.8-70.2169.3000115.3F23 M181 Q184 F185 N195F23-L198 HydrophobicContact CE2-CB 4.4Å; F23-L198 HydrophobicContact CE2-CD1 4.34Å; F23-L198 HydrophobicContact CZ-CB 3.99Å; F23-L198 HydrophobicContact CZ-CD1 4Å; M181-L198 HydrophobicContact SD-CB 4.34Å; Q184-L198 HydrophobicContact CB-CD1 3.8Å; Q184-L198 HydrophobicContact CB-CD2 4.15Å; F185-L198 HydrophobicContact CB-CD1 3.85Å; F185-L198 VanDerWaalsContact N-CD1 3.34Å; N195-L198 HydrophobicContact CB-CD1 4.43Å; N195-L198 HydrophobicContact CB-CD2 4.14Å; N195-L198 HydrophobicContact CB-CG 4.01Å; N195-L198 WeakPolarHBondContact ND2-CD2 3.47Å; N195-L198 WeakPolarHBondContact O-CD1 3.28Å; N195-L198 WeakPolarHBondContact O-CG 3.15Å
199M87.8Confident88Confident74 Ų7486.9 Ų86.937%0.36546%0.458SS..THydrogen-bonded Turntrans-116.813.1-176.1-73.9-77.4-75.800112.3R22 F23 P178 M181 D197R22-M199 PolarHBondContact NH1-O 2.87Å; F23-M199 HydrophobicContact CZ-CG 4.32Å; P178-M199 HydrophobicContact CG-CE 4.46Å; M181-M199 HydrophobicContact CB-CG 4.23Å; M181-M199 HydrophobicContact CB-SD 4.22Å; M181-M199 HydrophobicContact CG-CG 3.98Å; M181-M199 HydrophobicContact CG-SD 3.43Å; M181-M199 WeakPolarHBondContact CG-SD 3.28Å; M181-M199 HydrophobicContact SD-CG 3.9Å; M181-M199 HydrophobicContact SD-SD 3.6Å; D197-M199 PolarHBondContact O-N 3.3Å
200T80.9Confident87.6Confident70 Ų7082.9 Ų82.943%0.42945%0.452SS..  trans-101.2123.7174.24.60000107.3D197D197-T200 VanDerWaalsContact C-OG1 3.23Å; D197-T200 WeakPolarHBondContact CA-OG1 3.46Å; D197-T200 VanDerWaalsContact CB-OG1 3.24Å; D197-T200 WeakPolarHBondContact CB-OG1 3.37Å; D197-T200 PolarHBondContact O-N 3.43Å; D197-T200 PolarHBondContact O-OG1 3.3Å
201K54.4Low87.2Confident278 Ų27883.5 Ų83.5100%1.20945%0.451SS*.  trans-79.70171-72.5-174.7178.5-179.30110.1

Retrieved 201 of 201 residues in 550.9 ms (Link to these results)

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