A0A077Z389_TRITR Loading...

Isochorismatase domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A077Z389, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 203 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
1M36.1Very low49.7Very low234 Ų234144.7 Ų144.7100%1.15382%0.819SS**  0126.40-67-167.7175.500108A3M1-A3 PolarHBondContact O-N 3.11Å
2P37.7Very low51.9Low109 Ų109144.3 Ų144.371%0.70880%0.795SS**  trans-69.2118.6176.627.9-29.2000108H4P2-H4 PolarHBondContact O-N 2.87Å; P2-H4 PolarHBondContact O-ND1 3.21Å
3A42.1Very low54.6Low99 Ų99145.8 Ų145.882%0.81878%0.782SS**  trans-52.2110.6169.600000107.4M1 G5M1-A3 PolarHBondContact O-N 3.11Å; A3-G5 PolarHBondContact O-N 3.22Å
4H43.6Very low57.4Low176 Ų176136.6 Ų136.682%0.81573%0.732SS**  trans-66.388.4170.6-84.746.5000106.6P2 R6P2-H4 PolarHBondContact O-N 2.87Å; P2-H4 PolarHBondContact O-ND1 3.21Å; H4-R6 PolarHBondContact O-N 2.95Å
5G42.3Very low59.9Low66 Ų66129.3 Ų129.368%0.6869%0.694SS**  trans-56.8107165.800000106.6A3 K7A3-G5 PolarHBondContact O-N 3.22Å; G5-K7 VanDerWaalsContact C-N 3.32Å; G5-K7 PolarHBondContact O-N 3.27Å
6R45.1Very low62.2Low224 Ų224122.3 Ų122.385%0.84566%0.658SS**  trans-58.3100.2174-160.2176.3-171.5175.41.8105.5H4 M8H4-R6 PolarHBondContact O-N 2.95Å; R6-M8 PolarHBondContact O-N 2.79Å; R6-M8 VanDerWaalsContact O-N 3.09Å
7K51.2Low64.2Low195 Ų195122.9 Ų122.985%0.84866%0.656SS**PPolyproline II helixtrans-50.4123169.9-86.1-176.4173.41790105.5G5 A9G5-K7 VanDerWaalsContact C-N 3.32Å; G5-K7 PolarHBondContact O-N 3.27Å; K7-A9 PolarHBondContact O-N 2.94Å
8M53.5Low66Low185 Ų185118 Ų11891%0.91163%0.63SS**PPolyproline II helixtrans-51.8120.9171.1-77.7-148.1-60.500106.7R6 A10R6-M8 PolarHBondContact O-N 2.79Å; R6-M8 VanDerWaalsContact O-N 3.09Å; M8-A10 PolarHBondContact O-N 2.82Å
9A59.9Low67.6Low89 Ų89111.8 Ų111.874%0.73660%0.597SS**PPolyproline II helixtrans-53.6134.4177.400000107.5K7 V11K7-A9 PolarHBondContact O-N 2.94Å; A9-V11 PolarHBondContact O-N 3.01Å; A9-V11 VanDerWaalsContact O-N 3.08Å
10A67.7Low69.2Low89 Ų89106.2 Ų106.274%0.73657%0.567SS**PPolyproline II helixtrans-54.3122.7176.400000108M8 R12M8-A10 PolarHBondContact O-N 2.82Å; A10-R12 PolarHBondContact O-N 3.09Å
11V67.7Low70.6Confident126 Ų126101.2 Ų101.276%0.76454%0.54SS*.  trans-59.4104.3-179178.30000108A9 R13A9-V11 PolarHBondContact O-N 3.01Å; A9-V11 VanDerWaalsContact O-N 3.08Å; V11-R13 PolarHBondContact O-N 3.3Å
12R75.9Confident73.6Confident139 Ų13990 Ų9053%0.52549%0.485SS..  trans-78.2107174.5-79.4-177.2171.6179.43.2107.8A10 D136A10-R12 PolarHBondContact O-N 3.09Å; R12-D136 WeakPolarHBondContact CB-OD2 3.46Å; R12-D136 WeakPolarHBondContact CD-OD2 3.31Å; R12-D136 IonicContact NH1-OD2 3.52Å
13R87Confident76.5Confident165 Ų16584.9 Ų84.962%0.62345%0.452SS*.  trans-67.6139.4179.6-75-165.2-152.8-144.79.1110.7V11 N18 R178V11-R13 PolarHBondContact O-N 3.3Å; R13-N18 PolarHBondContact O-ND2 3.32Å; R13-R178 VanDerWaalsContact NH1-NH1 3.12Å
14L93.5Very high79.2Confident16 Ų1680.2 Ų80.28%0.08441%0.413CS..  trans-65.2129167.5-164.570.9000110.6A19 I113 V172 L176L14-A19 HydrophobicContact CD1-CB 3.61Å; L14-A19 HydrophobicContact CG-CB 4.22Å; L14-I113 HydrophobicContact CD1-CD1 4.15Å; L14-I113 HydrophobicContact CD1-CG1 3.8Å; L14-I113 HydrophobicContact CD2-CD1 3.86Å; L14-I113 HydrophobicContact CD2-CG1 3.87Å; L14-I113 HydrophobicContact CG-CD1 4.45Å; L14-I113 HydrophobicContact CG-CG1 4.44Å; L14-V172 HydrophobicContact CD2-CB 4.42Å; L14-V172 HydrophobicContact CD2-CG1 3.88Å; L14-V172 HydrophobicContact CD2-CG2 4.35Å; L14-L176 HydrophobicContact CD2-CD1 4.41Å; L14-L176 HydrophobicContact CD2-CD2 3.91Å; L14-L176 HydrophobicContact CD2-CG 3.87Å; L14-L176 HydrophobicContact CG-CD2 3.69Å; L14-L176 HydrophobicContact CG-CG 4.2Å
15T96Very high81.8Confident28 Ų2871.9 Ų71.917%0.17237%0.374CS..  trans-136.7159.517178.70000109.8Q17 N18 A19 L176T15-Q17 PolarHBondContact O-N 3.23Å; T15-Q17 VanDerWaalsContact O-N 3.11Å; T15-Q17 PolarHBondContact OG1-N 3.08Å; T15-Q17 PolarHBondContact OG1-OE1 2.86Å; T15-Q17 VanDerWaalsContact OG1-OE1 3.06Å; T15-N18 PolarHBondContact N-OD1 3.34Å; T15-N18 PolarHBondContact O-N 3.27Å; T15-N18 PolarHBondContact O-OD1 3.49Å; T15-N18 PolarHBondContact OG1-N 2.89Å; T15-N18 PolarHBondContact OG1-OD1 3.26Å; T15-A19 WeakPolarHBondContact O-CB 3.45Å; T15-A19 PolarHBondContact O-N 2.95Å; T15-L176 VanDerWaalsContact C-CD2 3.43Å
16S95.9Very high84.5Confident17 Ų1768.8 Ų68.812%0.11934%0.342CS..THydrogen-bonded Turntrans-62-21.6177.846.90000113.7L54 R109S16-L54 WeakPolarHBondContact CB-O 3.34Å; S16-R109 PolarHBondContact O-NH1 3.13Å
17Q95.8Very high87.1Confident132 Ų13258.1 Ų58.162%0.61730%0.302SS*.THydrogen-bonded Turntrans-84-27.5179.9-59.974.224.400113.4T15T15-Q17 PolarHBondContact O-N 3.23Å; T15-Q17 VanDerWaalsContact O-N 3.11Å; T15-Q17 PolarHBondContact OG1-N 3.08Å; T15-Q17 PolarHBondContact OG1-OE1 2.86Å; T15-Q17 VanDerWaalsContact OG1-OE1 3.06Å
18N96.5Very high89.3Confident35 Ų3551.9 Ų51.919%0.18728%0.276CS..THydrogen-bonded Turntrans-105.2-12.5-178.574.81.2000113.9R13 T15 R109 K110 S111R13-N18 PolarHBondContact O-ND2 3.32Å; T15-N18 PolarHBondContact N-OD1 3.34Å; T15-N18 PolarHBondContact O-N 3.27Å; T15-N18 PolarHBondContact O-OD1 3.49Å; T15-N18 PolarHBondContact OG1-N 2.89Å; T15-N18 PolarHBondContact OG1-OD1 3.26Å; N18-R109 CarbonylContact O-C 3.59Å; N18-R109 VanDerWaalsContact O-C 3.25Å; N18-R109 WeakPolarHBondContact O-CA 3.31Å; N18-R109 WeakPolarHBondContact O-CB 3.14Å; N18-K110 PolarHBondContact O-N 3.17Å; N18-K110 VanDerWaalsContact O-N 3.15Å; N18-S111 PolarHBondContact O-N 3.3Å; N18-S111 VanDerWaalsContact O-N 3.07Å
19A98Very high91.5Very high0 Ų050.2 Ų50.20%026%0.264CS..EExtended strand (participates in β ladder)trans-82.3147-175.100000112.8L14 T15 V56 R109 S111 I113 L176L14-A19 HydrophobicContact CD1-CB 3.61Å; L14-A19 HydrophobicContact CG-CB 4.22Å; T15-A19 WeakPolarHBondContact O-CB 3.45Å; T15-A19 PolarHBondContact O-N 2.95Å; A19-V56 HydrophobicContact CB-CG1 3.89Å; A19-V56 HydrophobicContact CB-CG2 4.17Å; A19-R109 VanDerWaalsContact O-CD 3.26Å; A19-R109 WeakPolarHBondContact O-CD 3.31Å; A19-R109 PolarHBondContact O-NH1 2.84Å; A19-S111 CarbonylContact C-O 3.51Å; A19-S111 VanDerWaalsContact CA-O 3.22Å; A19-S111 WeakPolarHBondContact CA-O 3.38Å; A19-I113 HydrophobicContact CB-CD1 4.08Å; A19-L176 HydrophobicContact CB-CD2 4.11Å
20L98.5Very high93.3Very high0 Ų047.2 Ų47.20%023%0.234CC..EExtended strand (participates in β ladder)trans-131.7130.6165.217167.3000107.6L22 P57 V59 I102 F106 R109 S111 V112 I113L20-L22 HydrophobicContact CD2-CD2 3.85Å; L20-L22 HydrophobicContact CD2-CG 4.4Å; L20-L22 HydrophobicContact CG-CD2 3.98Å; L20-L22 HydrophobicContact CG-CG 4.43Å; L20-P57 HydrophobicContact CD1-CB 3.93Å; L20-P57 WeakPolarHBondContact CD1-O 3.37Å; L20-V59 HydrophobicContact CD1-CG2 4.31Å; L20-I102 HydrophobicContact CD2-CB 4.47Å; L20-I102 HydrophobicContact CD2-CD1 3.95Å; L20-I102 HydrophobicContact CD2-CG1 3.92Å; L20-I102 HydrophobicContact CD2-CG2 3.76Å; L20-F106 HydrophobicContact CD1-CD2 3.81Å; L20-F106 HydrophobicContact CD1-CE2 3.98Å; L20-F106 HydrophobicContact CD1-CG 4.42Å; L20-F106 HydrophobicContact CD2-CD2 4.34Å; L20-R109 HydrophobicContact CB-CB 4.31Å; L20-S111 PolarHBondContact N-O 3.49Å; L20-V112 CarbonylContact O-C 3.59Å; L20-V112 WeakPolarHBondContact O-CA 3.26Å; L20-I113 PolarHBondContact O-N 2.95Å
21L98.8Very high94.7Very high1 Ų146.4 Ų46.41%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-91.3125172.5175.462.4000109.9I23 L47 A51 V56 P57 V58 V59 I113L21-I23 HydrophobicContact CD2-CD1 4.25Å; L21-I23 HydrophobicContact CD2-CG1 4.29Å; L21-I23 HydrophobicContact CG-CG1 4.12Å; L21-L47 HydrophobicContact CD1-CB 4.45Å; L21-L47 HydrophobicContact CD2-CB 4.2Å; L21-A51 HydrophobicContact CB-CB 4.35Å; L21-A51 HydrophobicContact CD2-CB 3.8Å; L21-V56 HydrophobicContact CB-CG1 4.42Å; L21-P57 PolarHBondContact N-O 3.44Å; L21-V58 HydrophobicContact CB-CG1 4.32Å; L21-V58 HydrophobicContact CB-CG2 4.2Å; L21-V58 HydrophobicContact CD2-CG1 4.02Å; L21-V58 HydrophobicContact CD2-CG2 4.09Å; L21-V58 HydrophobicContact CG-CG1 4.1Å; L21-V58 CarbonylContact O-C 3.56Å; L21-V58 VanDerWaalsContact O-CA 3.31Å; L21-V58 WeakPolarHBondContact O-CA 3.18Å; L21-V59 PolarHBondContact O-N 3.38Å; L21-I113 WeakPolarHBondContact CA-O 3.36Å; L21-I113 HydrophobicContact CD1-CB 3.97Å; L21-I113 HydrophobicContact CD1-CG2 3.74Å
22L98.8Very high96.2Very high0 Ų048.4 Ų48.40%022%0.218CC..EExtended strand (participates in β ladder)trans-109.3126.4170.8-64.2-170000110L20 V59 M92 I102 V112 I113 L114 C115 L130L20-L22 HydrophobicContact CD2-CD2 3.85Å; L20-L22 HydrophobicContact CD2-CG 4.4Å; L20-L22 HydrophobicContact CG-CD2 3.98Å; L20-L22 HydrophobicContact CG-CG 4.43Å; L22-V59 WeakPolarHBondContact CA-O 3.23Å; L22-V59 HydrophobicContact CD2-CB 3.74Å; L22-V59 HydrophobicContact CD2-CG1 4.38Å; L22-M92 HydrophobicContact CB-CE 3.92Å; L22-M92 HydrophobicContact CB-SD 3.9Å; L22-M92 HydrophobicContact CD1-SD 4.25Å; L22-M92 HydrophobicContact CD2-CE 4.31Å; L22-M92 HydrophobicContact CG-CE 4.48Å; L22-I102 HydrophobicContact CD1-CD1 4.38Å; L22-I102 HydrophobicContact CD2-CD1 3.97Å; L22-V112 HydrophobicContact CB-CG1 4.22Å; L22-V112 HydrophobicContact CD1-CG1 3.69Å; L22-V112 HydrophobicContact CG-CG1 3.75Å; L22-I113 PolarHBondContact N-O 2.91Å; L22-L114 HydrophobicContact CB-CD1 3.71Å; L22-C115 PolarHBondContact O-N 3.23Å; L22-C115 VanDerWaalsContact O-N 3.13Å; L22-L130 HydrophobicContact CD1-CD1 4.29Å
23I98.8Very high97.2Very high1 Ų143.8 Ų43.81%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-110.7108.9176.8-57.9178.1000108.7L21 M26 L48 V58 V59 A60 T61 L75 I77L21-I23 HydrophobicContact CD2-CD1 4.25Å; L21-I23 HydrophobicContact CD2-CG1 4.29Å; L21-I23 HydrophobicContact CG-CG1 4.12Å; I23-M26 HydrophobicContact CG2-CB 4.31Å; I23-M26 HydrophobicContact CG2-CG 3.83Å; I23-L48 HydrophobicContact CD1-CB 4.4Å; I23-V58 HydrophobicContact CD1-CG1 3.79Å; I23-V58 HydrophobicContact CG1-CG1 4.15Å; I23-V59 PolarHBondContact N-O 3.45Å; I23-A60 HydrophobicContact CB-CB 4.23Å; I23-A60 VanDerWaalsContact O-CA 3.31Å; I23-A60 WeakPolarHBondContact O-CA 3.45Å; I23-T61 PolarHBondContact O-N 2.81Å; I23-T61 VanDerWaalsContact O-N 3.08Å; I23-L75 HydrophobicContact CG2-CD1 4.26Å; I23-I77 HydrophobicContact CD1-CD1 3.74Å
24C98.9Very high97.7Very high0 Ų036.4 Ų36.40%018%0.183CC..EExtended strand (participates in β ladder)trans-93.5110.2-173-170.20000111.7M26 M92 L114 C115 G116 I117 C122 I123C24-M26 VanDerWaalsContact C-N 3.31Å; C24-M26 PolarHBondContact O-N 3.41Å; C24-M26 VanDerWaalsContact O-N 3.1Å; C24-M92 HydrophobicContact CB-CG 4.31Å; C24-M92 HydrophobicContact CB-SD 3.7Å; C24-L114 HydrophobicContact CB-CD1 4.36Å; C24-C115 WeakPolarHBondContact CB-O 3.47Å; C24-C115 PolarHBondContact N-O 2.97Å; C24-G116 CarbonylContact O-C 3.58Å; C24-G116 VanDerWaalsContact O-CA 3.23Å; C24-G116 WeakPolarHBondContact O-CA 3.38Å; C24-I117 PolarHBondContact O-N 2.99Å; C24-I117 PolarHBondContact SG-O 3.32Å; C24-C122 WeakPolarHBondContact SG-CB 3.5Å; C24-I123 HydrophobicContact CB-CD1 3.6Å
25D98.6Very high97.9Very high1 Ų137.3 Ų37.31%0.00519%0.19CC..  trans54.935.8158.1-52.3-16.9000115.7Q27 T61 Q63 K87 I117 C122D25-Q27 PolarHBondContact O-N 3.07Å; D25-T61 WeakPolarHBondContact CA-O 3.35Å; D25-T61 PolarHBondContact N-O 3.37Å; D25-T61 VanDerWaalsContact N-O 3.15Å; D25-T61 WeakPolarHBondContact OD1-CB 2.89Å; D25-T61 PolarHBondContact OD1-OG1 2.82Å; D25-Q63 HydrophobicContact CB-CB 4.26Å; D25-Q63 PolarHBondContact OD1-N 2.92Å; D25-K87 WeakPolarHBondContact OD1-CE 3.23Å; D25-K87 IonicContact OD1-NZ 2.73Å; D25-K87 PolarHBondContact OD1-NZ 3.26Å; D25-K87 WeakPolarHBondContact OD2-CE 3.47Å; D25-K87 IonicContact OD2-NZ 3.4Å; D25-K87 PolarHBondContact OD2-NZ 3.22Å; D25-I117 WeakPolarHBondContact O-CD1 3.19Å; D25-I117 WeakPolarHBondContact O-CG1 3.44Å; D25-C122 WeakPolarHBondContact OD2-CB 3.45Å; D25-C122 PolarHBondContact OD2-SG 3.46Å
26M98.7Very high98Very high1 Ų137.9 Ų37.91%0.00519%0.194CC..  trans-73.866180-71.6-64-69.600112.3I23 C24 F37 I40 V41 A44 T71 V72 L75 I117I23-M26 HydrophobicContact CG2-CB 4.31Å; I23-M26 HydrophobicContact CG2-CG 3.83Å; C24-M26 VanDerWaalsContact C-N 3.31Å; C24-M26 PolarHBondContact O-N 3.41Å; C24-M26 VanDerWaalsContact O-N 3.1Å; M26-F37 HydrophobicContact CE-CE2 4.2Å; M26-F37 HydrophobicContact CE-CZ 4.38Å; M26-I40 HydrophobicContact CE-CB 4.38Å; M26-I40 HydrophobicContact CE-CG2 3.76Å; M26-I40 HydrophobicContact SD-CG2 4.05Å; M26-V41 HydrophobicContact CE-CB 4.23Å; M26-V41 HydrophobicContact CE-CG2 3.5Å; M26-A44 HydrophobicContact CE-CB 4.38Å; M26-T71 HydrophobicContact CB-CG2 4.43Å; M26-T71 CarbonylContact O-C 3.41Å; M26-T71 VanDerWaalsContact O-CA 3.29Å; M26-T71 WeakPolarHBondContact O-CA 3.4Å; M26-V72 WeakPolarHBondContact O-CG1 3.4Å; M26-V72 PolarHBondContact O-N 3.4Å; M26-L75 HydrophobicContact CB-CD1 3.57Å; M26-L75 HydrophobicContact CG-CD1 4.04Å; M26-I117 HydrophobicContact SD-CG1 4.11Å; M26-I117 HydrophobicContact SD-CG2 4.2Å
27Q98.8Very high98.1Very high0 Ų037.1 Ų37.10%019%0.189CC..BIsolated β-bridgetrans-103.4153.6-165.7-62.8163.7-98.200114.9D25 K29 F30 E62 Q63 G69 L70D25-Q27 PolarHBondContact O-N 3.07Å; Q27-K29 PolarHBondContact O-N 3.05Å; Q27-F30 HydrophobicContact CB-CD2 4.02Å; Q27-F30 HydrophobicContact CB-CE2 4.39Å; Q27-F30 WeakPolarHBondContact O-CB 3.48Å; Q27-F30 PolarHBondContact O-N 3.14Å; Q27-F30 VanDerWaalsContact O-N 3.13Å; Q27-E62 HydrophobicContact CG-CB 4.39Å; Q27-E62 HydrophobicContact CG-CG 4.15Å; Q27-Q63 PolarHBondContact NE2-O 2.79Å; Q27-Q63 PolarHBondContact OE1-O 2.8Å; Q27-G69 PolarHBondContact NE2-O 2.71Å; Q27-L70 CarbonylContact C-O 3.57Å; Q27-L70 VanDerWaalsContact CA-O 3.25Å; Q27-L70 WeakPolarHBondContact CA-O 3.46Å
28E98.4Very high98.2Very high65 Ų6535.1 Ų35.130%0.30419%0.187SC..G310 helixtrans-50-45-175.7-76.4-63115.800114.8F30 R31 L70 V72 P73E28-F30 PolarHBondContact O-N 3.47Å; E28-F30 VanDerWaalsContact O-N 3.16Å; E28-R31 VanDerWaalsContact CD-NE 3.34Å; E28-R31 WeakPolarHBondContact O-CB 3.42Å; E28-R31 VanDerWaalsContact O-CG 3.25Å; E28-R31 WeakPolarHBondContact O-CG 3.34Å; E28-R31 PolarHBondContact O-N 2.8Å; E28-R31 IonicContact OE1-CZ 3.33Å; E28-R31 IonicContact OE1-NE 2.91Å; E28-R31 PolarHBondContact OE1-NE 2.9Å; E28-R31 IonicContact OE1-NH2 2.78Å; E28-R31 PolarHBondContact OE1-NH2 2.92Å; E28-R31 IonicContact OE2-CZ 3.47Å; E28-R31 IonicContact OE2-NE 3.85Å; E28-R31 PolarHBondContact OE2-NE 2.87Å; E28-R31 IonicContact OE2-NH2 2.66Å; E28-L70 WeakPolarHBondContact CG-O 3.45Å; E28-L70 PolarHBondContact N-O 2.7Å; E28-V72 VanDerWaalsContact OE1-CA 3.23Å; E28-V72 WeakPolarHBondContact OE1-CA 3.49Å; E28-V72 WeakPolarHBondContact OE1-CB 3.3Å; E28-V72 WeakPolarHBondContact OE1-CG1 3.37Å; E28-P73 WeakPolarHBondContact OE1-CD 3.5Å
29K98.4Very high98.2Very high150 Ų15036.4 Ų36.465%0.65219%0.192SC*.G310 helixtrans-71.1-11.7-173.8-66.1-70.9-172178.90113.4Q27 L68Q27-K29 PolarHBondContact O-N 3.05Å; K29-L68 WeakPolarHBondContact CB-O 3.28Å; K29-L68 WeakPolarHBondContact CG-O 3.13Å; K29-L68 PolarHBondContact N-O 3.4Å
30F98.4Very high98.3Very high25 Ų2536.4 Ų36.411%0.1119%0.192CC..G310 helixtrans-84-11.7176.8-72-72.8000114.2Q27 E28 N32 A33 I34 F37 L68 I117 E118Q27-F30 HydrophobicContact CB-CD2 4.02Å; Q27-F30 HydrophobicContact CB-CE2 4.39Å; Q27-F30 WeakPolarHBondContact O-CB 3.48Å; Q27-F30 PolarHBondContact O-N 3.14Å; Q27-F30 VanDerWaalsContact O-N 3.13Å; E28-F30 PolarHBondContact O-N 3.47Å; E28-F30 VanDerWaalsContact O-N 3.16Å; F30-N32 PolarHBondContact O-N 3.36Å; F30-A33 PolarHBondContact O-N 3.06Å; F30-I34 HydrophobicContact CB-CG1 3.8Å; F30-I34 HydrophobicContact CD1-CD1 4.24Å; F30-I34 HydrophobicContact CD1-CG1 4.07Å; F30-I34 HydrophobicContact CG-CG1 4.3Å; F30-I34 PolarHBondContact O-N 3.49Å; F30-I34 VanDerWaalsContact O-N 3.07Å; F30-F37 HydrophobicContact CB-CD2 4.41Å; F30-F37 HydrophobicContact CB-CE2 3.96Å; F30-L68 HydrophobicContact CE1-CD2 4.47Å; F30-L68 HydrophobicContact CE2-CB 4.24Å; F30-L68 HydrophobicContact CE2-CD1 3.96Å; F30-L68 HydrophobicContact CE2-CD2 4.1Å; F30-L68 HydrophobicContact CE2-CG 4.32Å; F30-L68 HydrophobicContact CZ-CD1 3.84Å; F30-L68 HydrophobicContact CZ-CD2 3.9Å; F30-L68 HydrophobicContact CZ-CG 4.39Å; F30-I117 HydrophobicContact CB-CD1 3.43Å; F30-I117 VanDerWaalsContact CB-CD1 3.43Å; F30-I117 HydrophobicContact CD1-CD1 3.96Å; F30-I117 HydrophobicContact CD2-CD1 3.45Å; F30-I117 VanDerWaalsContact CD2-CD1 3.45Å; F30-I117 HydrophobicContact CE2-CD1 4.12Å; F30-I117 HydrophobicContact CG-CD1 3.34Å; F30-E118 HydrophobicContact CE1-CG 4.47Å
31R97.9Very high98.3Very high72 Ų7236.6 Ų36.627%0.27219%0.194SC..THydrogen-bonded Turntrans-46.2-43.1-175.1-78174.5-177.4-74.20.5114.5E28 F37 E74E28-R31 VanDerWaalsContact CD-NE 3.34Å; E28-R31 WeakPolarHBondContact O-CB 3.42Å; E28-R31 VanDerWaalsContact O-CG 3.25Å; E28-R31 WeakPolarHBondContact O-CG 3.34Å; E28-R31 PolarHBondContact O-N 2.8Å; E28-R31 IonicContact OE1-CZ 3.33Å; E28-R31 IonicContact OE1-NE 2.91Å; E28-R31 PolarHBondContact OE1-NE 2.9Å; E28-R31 IonicContact OE1-NH2 2.78Å; E28-R31 PolarHBondContact OE1-NH2 2.92Å; E28-R31 IonicContact OE2-CZ 3.47Å; E28-R31 IonicContact OE2-NE 3.85Å; E28-R31 PolarHBondContact OE2-NE 2.87Å; E28-R31 IonicContact OE2-NH2 2.66Å; R31-F37 HydrophobicContact CB-CD1 4.19Å; R31-F37 HydrophobicContact CB-CE1 4.27Å; R31-F37 HydrophobicContact CG-CD1 3.8Å; R31-F37 HydrophobicContact CG-CE1 3.48Å; R31-F37 VanDerWaalsContact CG-CE1 3.48Å; R31-F37 HydrophobicContact CG-CZ 4.33Å; R31-E74 IonicContact CZ-OE1 3.67Å; R31-E74 IonicContact CZ-OE2 3.32Å; R31-E74 IonicContact NH1-OE1 3.73Å; R31-E74 PolarHBondContact NH1-OE1 3.38Å; R31-E74 IonicContact NH1-OE2 2.73Å; R31-E74 VanDerWaalsContact NH2-CD 3.26Å; R31-E74 IonicContact NH2-OE1 3.99Å; R31-E74 PolarHBondContact NH2-OE1 3.36Å; R31-E74 IonicContact NH2-OE2 3.19Å; R31-E74 PolarHBondContact NH2-OE2 3.23Å
32N97.7Very high98.2Very high169 Ų16939.7 Ų39.790%0.90421%0.208SC*.THydrogen-bonded Turntrans-97.8-5.9-175.1-60.9-26.6000113.5F30F30-N32 PolarHBondContact O-N 3.36Å
33A97.7Very high98.2Very high41 Ų4139.7 Ų39.734%0.33921%0.208SC..THydrogen-bonded Turntrans-100.8-32-17600000112F30 R147F30-A33 PolarHBondContact O-N 3.06Å; A33-R147 HydrophobicContact CB-CG 4.08Å; A33-R147 VanDerWaalsContact O-CA 3.31Å; A33-R147 WeakPolarHBondContact O-CA 3.45Å; A33-R147 VanDerWaalsContact O-CG 3.29Å; A33-R147 WeakPolarHBondContact O-CG 3.38Å
34I98.4Very high98.2Very high11 Ų1139.7 Ų39.76%0.05621%0.208CC..SBendtrans-90.5134.4-173.7-63.4-66.1000111.5F30 C36 F37 I117 E118 R147F30-I34 HydrophobicContact CB-CG1 3.8Å; F30-I34 HydrophobicContact CD1-CD1 4.24Å; F30-I34 HydrophobicContact CD1-CG1 4.07Å; F30-I34 HydrophobicContact CG-CG1 4.3Å; F30-I34 PolarHBondContact O-N 3.49Å; F30-I34 VanDerWaalsContact O-N 3.07Å; I34-C36 PolarHBondContact O-N 2.94Å; I34-F37 HydrophobicContact CB-CB 4.04Å; I34-F37 HydrophobicContact CB-CD2 3.77Å; I34-F37 HydrophobicContact CB-CG 4.34Å; I34-F37 HydrophobicContact CG1-CD2 4.14Å; I34-F37 HydrophobicContact CG2-CB 4.18Å; I34-F37 HydrophobicContact CG2-CD2 3.95Å; I34-F37 PolarHBondContact O-N 3.33Å; I34-I117 HydrophobicContact CD1-CB 4.38Å; I34-I117 HydrophobicContact CD1-CD1 4.33Å; I34-I117 HydrophobicContact CD1-CG2 4.33Å; I34-I117 HydrophobicContact CG1-CD1 3.94Å; I34-I117 HydrophobicContact CG1-CG2 4.34Å; I34-I117 HydrophobicContact CG2-CG2 4.04Å; I34-E118 HydrophobicContact CD1-CG 3.79Å; I34-E118 WeakPolarHBondContact CD1-OE1 3.43Å; I34-R147 HydrophobicContact CD1-CG 4.03Å
35C97.4Very high98.1Very high34 Ų3442 Ų4223%0.2322%0.219CC..THydrogen-bonded Turntrans-60.5129.5173.1-64.10000110.9F37 S145 S146 R147C35-F37 PolarHBondContact O-N 2.98Å; C35-S145 WeakPolarHBondContact O-CB 3.44Å; C35-S145 PolarHBondContact O-OG 2.9Å; C35-S146 PolarHBondContact N-O 3.23Å; C35-R147 PolarHBondContact SG-O 3.2Å
36C97Very high98.1Very high40 Ų4042.7 Ų42.727%0.2722%0.221SC..THydrogen-bonded Turntrans57.230.6176.7-53.30000113.9I34 P38 Q39 I40I34-C36 PolarHBondContact O-N 2.94Å; C36-P38 VanDerWaalsContact C-CD 3.48Å; C36-Q39 HydrophobicContact CB-CB 4.22Å; C36-Q39 HydrophobicContact CB-CG 4.48Å; C36-Q39 WeakPolarHBondContact O-CB 3.28Å; C36-Q39 PolarHBondContact O-N 3.41Å; C36-Q39 PolarHBondContact O-OE1 3.45Å; C36-I40 WeakPolarHBondContact O-CG1 3.46Å; C36-I40 PolarHBondContact O-N 3.38Å
37F98.2Very high98.1Very high2 Ų242.9 Ų42.91%0.00922%0.222CC..Hα-helixtrans-51.6-44.4-175.8-171.5-95.1000114.3M26 F30 R31 I34 C35 Q39 I40 V41 V72 I117M26-F37 HydrophobicContact CE-CE2 4.2Å; M26-F37 HydrophobicContact CE-CZ 4.38Å; F30-F37 HydrophobicContact CB-CD2 4.41Å; F30-F37 HydrophobicContact CB-CE2 3.96Å; R31-F37 HydrophobicContact CB-CD1 4.19Å; R31-F37 HydrophobicContact CB-CE1 4.27Å; R31-F37 HydrophobicContact CG-CD1 3.8Å; R31-F37 HydrophobicContact CG-CE1 3.48Å; R31-F37 VanDerWaalsContact CG-CE1 3.48Å; R31-F37 HydrophobicContact CG-CZ 4.33Å; I34-F37 HydrophobicContact CB-CB 4.04Å; I34-F37 HydrophobicContact CB-CD2 3.77Å; I34-F37 HydrophobicContact CB-CG 4.34Å; I34-F37 HydrophobicContact CG1-CD2 4.14Å; I34-F37 HydrophobicContact CG2-CB 4.18Å; I34-F37 HydrophobicContact CG2-CD2 3.95Å; I34-F37 PolarHBondContact O-N 3.33Å; C35-F37 PolarHBondContact O-N 2.98Å; F37-Q39 VanDerWaalsContact C-N 3.29Å; F37-Q39 PolarHBondContact O-N 2.93Å; F37-I40 PolarHBondContact O-N 3.47Å; F37-I40 VanDerWaalsContact O-N 3.17Å; F37-V41 HydrophobicContact CD1-CG2 3.75Å; F37-V41 HydrophobicContact CE1-CG2 3.42Å; F37-V41 VanDerWaalsContact CE1-CG2 3.42Å; F37-V41 HydrophobicContact CE2-CG2 4.45Å; F37-V41 HydrophobicContact CG-CG2 4.43Å; F37-V41 HydrophobicContact CZ-CG2 3.83Å; F37-V41 WeakPolarHBondContact O-CG2 3.42Å; F37-V41 PolarHBondContact O-N 2.99Å; F37-V72 HydrophobicContact CE1-CG1 3.75Å; F37-V72 HydrophobicContact CZ-CG1 3.69Å; F37-I117 HydrophobicContact CD2-CD1 4.47Å; F37-I117 HydrophobicContact CE2-CD1 3.85Å
38P97.6Very high98.1Very high89 Ų8943.1 Ų43.158%0.57822%0.223SC*.Hα-helixtrans-57.9-39.7176-24.935.6000113.5C36 V41 Q42C36-P38 VanDerWaalsContact C-CD 3.48Å; P38-V41 PolarHBondContact O-N 3.1Å; P38-Q42 PolarHBondContact O-N 3.25Å
39Q97.7Very high98.1Very high62 Ų6244.7 Ų44.729%0.2923%0.229SC..Hα-helixtrans-66.6-42.4177-65.182.3-6.200111.2C36 F37 V41 Q42 V43 P197C36-Q39 HydrophobicContact CB-CB 4.22Å; C36-Q39 HydrophobicContact CB-CG 4.48Å; C36-Q39 WeakPolarHBondContact O-CB 3.28Å; C36-Q39 PolarHBondContact O-N 3.41Å; C36-Q39 PolarHBondContact O-OE1 3.45Å; F37-Q39 VanDerWaalsContact C-N 3.29Å; F37-Q39 PolarHBondContact O-N 2.93Å; Q39-V41 VanDerWaalsContact C-N 3.35Å; Q39-V41 PolarHBondContact O-N 3.33Å; Q39-Q42 PolarHBondContact O-N 2.98Å; Q39-V43 PolarHBondContact O-N 3.11Å; Q39-P197 HydrophobicContact CB-CB 3.87Å; Q39-P197 HydrophobicContact CB-CG 4.5Å; Q39-P197 HydrophobicContact CG-CB 3.46Å; Q39-P197 VanDerWaalsContact CG-CB 3.46Å; Q39-P197 HydrophobicContact CG-CG 4.37Å
40I98.5Very high98.1Very high0 Ų037.5 Ų37.50%020%0.198CC..Hα-helixtrans-62.6-42.5175.6-57.3-51.5000111.1M26 C36 F37 Q42 V43 A44 D142 G143M26-I40 HydrophobicContact CE-CB 4.38Å; M26-I40 HydrophobicContact CE-CG2 3.76Å; M26-I40 HydrophobicContact SD-CG2 4.05Å; C36-I40 WeakPolarHBondContact O-CG1 3.46Å; C36-I40 PolarHBondContact O-N 3.38Å; F37-I40 PolarHBondContact O-N 3.47Å; F37-I40 VanDerWaalsContact O-N 3.17Å; I40-Q42 VanDerWaalsContact C-N 3.34Å; I40-Q42 PolarHBondContact O-N 3.21Å; I40-V43 PolarHBondContact O-N 2.99Å; I40-A44 WeakPolarHBondContact O-CB 3.29Å; I40-A44 PolarHBondContact O-N 3.43Å; I40-D142 VanDerWaalsContact CD1-O 3.28Å; I40-D142 WeakPolarHBondContact CD1-O 3.29Å; I40-G143 WeakPolarHBondContact CG2-O 3.47Å
41V98.5Very high98.1Very high5 Ų536.5 Ų36.53%0.0319%0.194CC..Hα-helixtrans-59.4-45.6174.2172.10000110.6M26 F37 P38 Q39 V43 A44 Q45 V72 E74M26-V41 HydrophobicContact CE-CB 4.23Å; M26-V41 HydrophobicContact CE-CG2 3.5Å; F37-V41 HydrophobicContact CD1-CG2 3.75Å; F37-V41 HydrophobicContact CE1-CG2 3.42Å; F37-V41 VanDerWaalsContact CE1-CG2 3.42Å; F37-V41 HydrophobicContact CE2-CG2 4.45Å; F37-V41 HydrophobicContact CG-CG2 4.43Å; F37-V41 HydrophobicContact CZ-CG2 3.83Å; F37-V41 WeakPolarHBondContact O-CG2 3.42Å; F37-V41 PolarHBondContact O-N 2.99Å; P38-V41 PolarHBondContact O-N 3.1Å; Q39-V41 VanDerWaalsContact C-N 3.35Å; Q39-V41 PolarHBondContact O-N 3.33Å; V41-V43 VanDerWaalsContact C-N 3.32Å; V41-V43 PolarHBondContact O-N 3.23Å; V41-A44 PolarHBondContact O-N 3.41Å; V41-Q45 HydrophobicContact CG1-CG 4.47Å; V41-Q45 WeakPolarHBondContact O-CG 3.1Å; V41-Q45 PolarHBondContact O-N 3.18Å; V41-V72 HydrophobicContact CG1-CG2 4.01Å; V41-V72 HydrophobicContact CG2-CG2 4.01Å; V41-E74 HydrophobicContact CG1-CB 3.65Å; V41-E74 HydrophobicContact CG1-CG 4.21Å
42Q98Very high98.1Very high65 Ų6536.4 Ų36.430%0.30420%0.198SC..Hα-helixtrans-61.8-40178.6-169.2176.27.100112.2P38 Q39 I40 Q45 R46 P197P38-Q42 PolarHBondContact O-N 3.25Å; Q39-Q42 PolarHBondContact O-N 2.98Å; I40-Q42 VanDerWaalsContact C-N 3.34Å; I40-Q42 PolarHBondContact O-N 3.21Å; Q42-Q45 WeakPolarHBondContact O-CB 3.25Å; Q42-Q45 PolarHBondContact O-N 2.8Å; Q42-R46 WeakPolarHBondContact O-CG 3.45Å; Q42-R46 PolarHBondContact O-N 3.32Å; Q42-R46 VanDerWaalsContact O-N 3.07Å; Q42-P197 HydrophobicContact CG-CG 4.45Å
43V98.5Very high98.1Very high1 Ų130.7 Ų30.71%0.00617%0.167CC..Hα-helixtrans-65-45.1174.3168.20000111.5Q39 I40 V41 Q45 R46 L47 V140 D142 G143 N169 T196Q39-V43 PolarHBondContact O-N 3.11Å; I40-V43 PolarHBondContact O-N 2.99Å; V41-V43 VanDerWaalsContact C-N 3.32Å; V41-V43 PolarHBondContact O-N 3.23Å; V43-Q45 VanDerWaalsContact C-N 3.28Å; V43-Q45 PolarHBondContact O-N 3.3Å; V43-R46 WeakPolarHBondContact O-CB 3.45Å; V43-R46 PolarHBondContact O-N 3.02Å; V43-R46 VanDerWaalsContact O-N 3.12Å; V43-L47 HydrophobicContact CG1-CD1 4.12Å; V43-L47 HydrophobicContact CG1-CG 4.48Å; V43-L47 PolarHBondContact O-N 3.17Å; V43-V140 HydrophobicContact CG1-CG1 4.32Å; V43-D142 HydrophobicContact CG2-CB 4.49Å; V43-D142 WeakPolarHBondContact CG2-O 3.33Å; V43-G143 VanDerWaalsContact CG1-CA 3.43Å; V43-N169 HydrophobicContact CG1-CB 3.6Å; V43-T196 HydrophobicContact CG2-CG2 3.59Å
44A98.6Very high98.1Very high0 Ų029.1 Ų29.10%015%0.153CC..Hα-helixtrans-60.5-37.6176.100000112M26 I40 V41 L47 L48 L75M26-A44 HydrophobicContact CE-CB 4.38Å; I40-A44 WeakPolarHBondContact O-CB 3.29Å; I40-A44 PolarHBondContact O-N 3.43Å; V41-A44 PolarHBondContact O-N 3.41Å; A44-L47 PolarHBondContact O-N 3.35Å; A44-L48 VanDerWaalsContact O-CB 3.26Å; A44-L48 WeakPolarHBondContact O-CB 3.39Å; A44-L48 PolarHBondContact O-N 3.33Å; A44-L75 HydrophobicContact CB-CD1 4.42Å; A44-L75 HydrophobicContact CB-CD2 3.61Å
45Q98.1Very high98.1Very high49 Ų4935 Ų3523%0.22918%0.184CC..Hα-helixtrans-62-43.1172.4-72.9177.8-49.100112.4V41 Q42 V43 L48 K49 E74 L75V41-Q45 HydrophobicContact CG1-CG 4.47Å; V41-Q45 WeakPolarHBondContact O-CG 3.1Å; V41-Q45 PolarHBondContact O-N 3.18Å; Q42-Q45 WeakPolarHBondContact O-CB 3.25Å; Q42-Q45 PolarHBondContact O-N 2.8Å; V43-Q45 VanDerWaalsContact C-N 3.28Å; V43-Q45 PolarHBondContact O-N 3.3Å; Q45-L48 PolarHBondContact O-N 2.91Å; Q45-K49 WeakPolarHBondContact O-CB 3.48Å; Q45-K49 WeakPolarHBondContact O-CG 3.22Å; Q45-K49 PolarHBondContact O-N 2.99Å; Q45-E74 WeakPolarHBondContact CG-O 3.35Å; Q45-E74 PolarHBondContact NE2-O 3.47Å; Q45-L75 HydrophobicContact CB-CD2 4.33Å; Q45-L75 HydrophobicContact CG-CD2 3.67Å
46R98.3Very high98.1Very high15 Ų1533.6 Ų33.66%0.05718%0.175CC..Hα-helixtrans-62.6-47.9177.9-70.2176.2-174.2-156.3-3.5110.9Q42 V43 L48 K49 G50 L173 L191 E194 V195 T196Q42-R46 WeakPolarHBondContact O-CG 3.45Å; Q42-R46 PolarHBondContact O-N 3.32Å; Q42-R46 VanDerWaalsContact O-N 3.07Å; V43-R46 WeakPolarHBondContact O-CB 3.45Å; V43-R46 PolarHBondContact O-N 3.02Å; V43-R46 VanDerWaalsContact O-N 3.12Å; R46-L48 PolarHBondContact O-N 3.21Å; R46-K49 PolarHBondContact O-N 3.11Å; R46-G50 PolarHBondContact O-N 2.79Å; R46-L173 HydrophobicContact CB-CD1 4.37Å; R46-L191 WeakPolarHBondContact CD-O 3.41Å; R46-L191 PolarHBondContact NE-O 3.47Å; R46-E194 PolarHBondContact NH1-O 3.03Å; R46-E194 PolarHBondContact NH2-O 2.66Å; R46-V195 PolarHBondContact NH2-O 2.78Å; R46-T196 PolarHBondContact NH1-OG1 2.78Å
47L98.6Very high98.2Very high5 Ų533 Ų333%0.02617%0.17CC..Hα-helixtrans-59.2-46.8176.4-72.5170000111.6L21 V43 A44 G50 A51 I113 C115 V140 N169 V172L21-L47 HydrophobicContact CD1-CB 4.45Å; L21-L47 HydrophobicContact CD2-CB 4.2Å; V43-L47 HydrophobicContact CG1-CD1 4.12Å; V43-L47 HydrophobicContact CG1-CG 4.48Å; V43-L47 PolarHBondContact O-N 3.17Å; A44-L47 PolarHBondContact O-N 3.35Å; L47-G50 PolarHBondContact O-N 3.43Å; L47-A51 VanDerWaalsContact O-CB 3.3Å; L47-A51 WeakPolarHBondContact O-CB 3.35Å; L47-A51 PolarHBondContact O-N 3.06Å; L47-I113 HydrophobicContact CD2-CG2 4.38Å; L47-C115 HydrophobicContact CD1-CB 3.73Å; L47-V140 HydrophobicContact CD1-CB 4.13Å; L47-V140 HydrophobicContact CD1-CG1 3.9Å; L47-V140 HydrophobicContact CD1-CG2 4.05Å; L47-V140 HydrophobicContact CD2-CG2 4.38Å; L47-N169 HydrophobicContact CD2-CB 4.08Å; L47-N169 HydrophobicContact CG-CB 4.17Å; L47-V172 HydrophobicContact CD2-CB 4.26Å; L47-V172 HydrophobicContact CD2-CG1 3.92Å
48L98.6Very high98.2Very high5 Ų533.5 Ų33.53%0.02617%0.173CC..Hα-helixtrans-59.3-52.7179.1169.860000111.7I23 A44 Q45 R46 G50 A51 M52 V58 L75 I77 I82I23-L48 HydrophobicContact CD1-CB 4.4Å; A44-L48 VanDerWaalsContact O-CB 3.26Å; A44-L48 WeakPolarHBondContact O-CB 3.39Å; A44-L48 PolarHBondContact O-N 3.33Å; Q45-L48 PolarHBondContact O-N 2.91Å; R46-L48 PolarHBondContact O-N 3.21Å; L48-G50 VanDerWaalsContact C-N 3.29Å; L48-G50 PolarHBondContact O-N 2.83Å; L48-A51 PolarHBondContact O-N 2.94Å; L48-M52 HydrophobicContact CD1-CG 4.2Å; L48-M52 HydrophobicContact CD1-SD 4.24Å; L48-M52 HydrophobicContact CG-CE 4.33Å; L48-M52 WeakPolarHBondContact O-CG 3.46Å; L48-M52 PolarHBondContact O-N 2.86Å; L48-V58 HydrophobicContact CD1-CG1 4.19Å; L48-V58 HydrophobicContact CD1-CG2 4.04Å; L48-L75 WeakPolarHBondContact CD2-O 3.31Å; L48-I77 HydrophobicContact CD1-CD1 4.33Å; L48-I77 HydrophobicContact CD2-CD1 3.65Å; L48-I82 HydrophobicContact CD1-CD1 3.29Å; L48-I82 HydrophobicContact CD2-CD1 4.39Å; L48-I82 HydrophobicContact CG-CD1 4.43Å
49K98.2Very high98.3Very high98 Ų9829.2 Ų29.243%0.42615%0.146SC..Hα-helixtrans-60-41.7178.9-72176.4-179.2177.60111.6Q45 R46 M52 L53 L191Q45-K49 WeakPolarHBondContact O-CB 3.48Å; Q45-K49 WeakPolarHBondContact O-CG 3.22Å; Q45-K49 PolarHBondContact O-N 2.99Å; R46-K49 PolarHBondContact O-N 3.11Å; K49-M52 HydrophobicContact CG-CE 4.22Å; K49-M52 PolarHBondContact O-N 2.75Å; K49-L53 WeakPolarHBondContact O-CG 3.24Å; K49-L53 PolarHBondContact O-N 3.07Å; K49-L191 HydrophobicContact CB-CD1 3.79Å; K49-L191 HydrophobicContact CB-CD2 3.82Å; K49-L191 HydrophobicContact CB-CG 4.49Å; K49-L191 HydrophobicContact CD-CD2 3.95Å
50G98.3Very high98.3Very high0 Ų026.3 Ų26.30%013%0.132CC..Hα-helixtrans-65-41.3176.300000112.9R46 L47 L48 M52 L53 L54R46-G50 PolarHBondContact O-N 2.79Å; L47-G50 PolarHBondContact O-N 3.43Å; L48-G50 VanDerWaalsContact C-N 3.29Å; L48-G50 PolarHBondContact O-N 2.83Å; G50-M52 PolarHBondContact O-N 2.8Å; G50-L53 PolarHBondContact O-N 3.5Å; G50-L54 WeakPolarHBondContact O-CB 3.35Å; G50-L54 VanDerWaalsContact O-CG 3.25Å; G50-L54 WeakPolarHBondContact O-CG 3.41Å; G50-L54 PolarHBondContact O-N 3.42Å; G50-L54 VanDerWaalsContact O-N 3.1Å
51A98.4Very high98.3Very high3 Ų326.3 Ų26.33%0.02513%0.132CC..Hα-helixtrans-60.3-45.5175.900000111.2L21 L47 L48 L54 D55 V56 V58L21-A51 HydrophobicContact CB-CB 4.35Å; L21-A51 HydrophobicContact CD2-CB 3.8Å; L47-A51 VanDerWaalsContact O-CB 3.3Å; L47-A51 WeakPolarHBondContact O-CB 3.35Å; L47-A51 PolarHBondContact O-N 3.06Å; L48-A51 PolarHBondContact O-N 2.94Å; A51-L54 CarbonylContact O-C 3.57Å; A51-L54 PolarHBondContact O-N 3.15Å; A51-D55 PolarHBondContact O-N 2.9Å; A51-D55 VanDerWaalsContact O-N 3.07Å; A51-V56 HydrophobicContact CB-CB 3.9Å; A51-V56 HydrophobicContact CB-CG1 4.23Å; A51-V56 PolarHBondContact O-N 2.95Å; A51-V58 HydrophobicContact CB-CG2 3.87Å
52M98Very high98.3Very high70 Ų7026.1 Ų26.135%0.34513%0.131SC..Hα-helixtrans-63-44.2175.9-64.9-172.6-56.200112.6L48 K49 G50 L54 D55 E80L48-M52 HydrophobicContact CD1-CG 4.2Å; L48-M52 HydrophobicContact CD1-SD 4.24Å; L48-M52 HydrophobicContact CG-CE 4.33Å; L48-M52 WeakPolarHBondContact O-CG 3.46Å; L48-M52 PolarHBondContact O-N 2.86Å; K49-M52 HydrophobicContact CG-CE 4.22Å; K49-M52 PolarHBondContact O-N 2.75Å; G50-M52 PolarHBondContact O-N 2.8Å; M52-L54 PolarHBondContact O-N 3.31Å; M52-D55 PolarHBondContact O-N 3.21Å; M52-E80 HydrophobicContact CE-CG 4.36Å; M52-E80 HydrophobicContact SD-CB 4.16Å; M52-E80 HydrophobicContact SD-CG 3.87Å
53L98Very high98.3Very high50 Ų5024 Ų2426%0.26212%0.121SC..Hα-helixtrans-63.1-24.3178-75.5172.4000113.6K49 G50 E187 V188 L191K49-L53 WeakPolarHBondContact O-CG 3.24Å; K49-L53 PolarHBondContact O-N 3.07Å; G50-L53 PolarHBondContact O-N 3.5Å; L53-E187 HydrophobicContact CD1-CB 3.85Å; L53-E187 HydrophobicContact CD2-CB 4.12Å; L53-V188 HydrophobicContact CB-CG2 4.22Å; L53-V188 HydrophobicContact CD1-CG2 4Å; L53-L191 HydrophobicContact CD1-CD1 3.98Å
54L98.1Very high98.3Very high7 Ų729.7 Ų29.74%0.03714%0.143CC..THydrogen-bonded Turntrans-111.111.8-174-61.9172.7000112.8S16 G50 A51 M52 V56 L176 L177 K184 V188S16-L54 WeakPolarHBondContact CB-O 3.34Å; G50-L54 WeakPolarHBondContact O-CB 3.35Å; G50-L54 VanDerWaalsContact O-CG 3.25Å; G50-L54 WeakPolarHBondContact O-CG 3.41Å; G50-L54 PolarHBondContact O-N 3.42Å; G50-L54 VanDerWaalsContact O-N 3.1Å; A51-L54 CarbonylContact O-C 3.57Å; A51-L54 PolarHBondContact O-N 3.15Å; M52-L54 PolarHBondContact O-N 3.31Å; L54-V56 HydrophobicContact CB-CG2 4.35Å; L54-V56 PolarHBondContact O-N 3.34Å; L54-L176 HydrophobicContact CD1-CB 3.68Å; L54-L176 HydrophobicContact CD1-CD1 4.01Å; L54-L176 HydrophobicContact CD1-CG 4.48Å; L54-L177 HydrophobicContact CD2-CD2 3.73Å; L54-K184 HydrophobicContact CD2-CB 3.94Å; L54-K184 HydrophobicContact CD2-CG 4.47Å; L54-V188 HydrophobicContact CD1-CG2 4.13Å; L54-V188 HydrophobicContact CD2-CG2 4.14Å; L54-V188 HydrophobicContact CG-CG2 4.08Å
55D97.3Very high98.3Very high135 Ų13530.3 Ų30.372%0.72215%0.148SC*.THydrogen-bonded Turntrans55.234179.8-55.5-57.4000113.8A51 M52 R109A51-D55 PolarHBondContact O-N 2.9Å; A51-D55 VanDerWaalsContact O-N 3.07Å; M52-D55 PolarHBondContact O-N 3.21Å; D55-R109 PolarHBondContact O-NH2 2.84Å
56V98.5Very high98.3Very high5 Ų537 Ų373%0.0318%0.176CC..  trans-87.4119.3170176.80000108.1A19 L21 A51 L54 L176A19-V56 HydrophobicContact CB-CG1 3.89Å; A19-V56 HydrophobicContact CB-CG2 4.17Å; L21-V56 HydrophobicContact CB-CG1 4.42Å; A51-V56 HydrophobicContact CB-CB 3.9Å; A51-V56 HydrophobicContact CB-CG1 4.23Å; A51-V56 PolarHBondContact O-N 2.95Å; L54-V56 HydrophobicContact CB-CG2 4.35Å; L54-V56 PolarHBondContact O-N 3.34Å; V56-L176 HydrophobicContact CG2-CD1 4.32Å; V56-L176 HydrophobicContact CG2-CD2 4.27Å
57P98.4Very high98.3Very high26 Ų2638 Ų3817%0.16919%0.191CC..  trans-62.4152.6177.5-22.633.8000111.3L20 L21 F106 R109L20-P57 HydrophobicContact CD1-CB 3.93Å; L20-P57 WeakPolarHBondContact CD1-O 3.37Å; L21-P57 PolarHBondContact N-O 3.44Å; P57-F106 HydrophobicContact CB-CD1 4.02Å; P57-F106 HydrophobicContact CB-CE1 3.46Å; P57-F106 VanDerWaalsContact CB-CE1 3.46Å; P57-F106 HydrophobicContact CB-CE2 4.09Å; P57-F106 HydrophobicContact CB-CZ 3.51Å; P57-F106 HydrophobicContact CG-CD1 3.84Å; P57-F106 HydrophobicContact CG-CE1 3.57Å; P57-F106 HydrophobicContact CG-CZ 4.17Å; P57-R109 VanDerWaalsContact CD-NH2 3.33Å; P57-R109 VanDerWaalsContact CG-CZ 3.43Å; P57-R109 VanDerWaalsContact CG-NE 3.28Å
58V98.7Very high98.3Very high13 Ų1340 Ų408%0.07920%0.202CC..EExtended strand (participates in β ladder)trans-127.7138.2-178.5-169.30000108.7L21 I23 L48 A51 I82L21-V58 HydrophobicContact CB-CG1 4.32Å; L21-V58 HydrophobicContact CB-CG2 4.2Å; L21-V58 HydrophobicContact CD2-CG1 4.02Å; L21-V58 HydrophobicContact CD2-CG2 4.09Å; L21-V58 HydrophobicContact CG-CG1 4.1Å; L21-V58 CarbonylContact O-C 3.56Å; L21-V58 VanDerWaalsContact O-CA 3.31Å; L21-V58 WeakPolarHBondContact O-CA 3.18Å; I23-V58 HydrophobicContact CD1-CG1 3.79Å; I23-V58 HydrophobicContact CG1-CG1 4.15Å; L48-V58 HydrophobicContact CD1-CG1 4.19Å; L48-V58 HydrophobicContact CD1-CG2 4.04Å; A51-V58 HydrophobicContact CB-CG2 3.87Å; V58-I82 HydrophobicContact CB-CD1 4.26Å; V58-I82 HydrophobicContact CB-CG1 4.44Å; V58-I82 HydrophobicContact CB-CG2 3.96Å; V58-I82 HydrophobicContact CG1-CD1 4.31Å; V58-I82 HydrophobicContact CG1-CG2 3.91Å
59V98.4Very high98.2Very high0 Ų040.7 Ų40.70%021%0.209CC..EExtended strand (participates in β ladder)trans-131.4136168.8175.60000108.4L20 L21 L22 I23 F85 V98 Y101 F106L20-V59 HydrophobicContact CD1-CG2 4.31Å; L21-V59 PolarHBondContact O-N 3.38Å; L22-V59 WeakPolarHBondContact CA-O 3.23Å; L22-V59 HydrophobicContact CD2-CB 3.74Å; L22-V59 HydrophobicContact CD2-CG1 4.38Å; I23-V59 PolarHBondContact N-O 3.45Å; V59-F85 HydrophobicContact CG1-CD2 3.77Å; V59-F85 HydrophobicContact CG1-CE2 3.78Å; V59-V98 HydrophobicContact CG1-CG1 4.42Å; V59-Y101 HydrophobicContact CG2-CD1 3.98Å; V59-Y101 HydrophobicContact CG2-CE1 3.85Å; V59-F106 HydrophobicContact CG2-CE2 3.95Å
60A98.5Very high98.3Very high1 Ų140 Ų401%0.00821%0.21CC..EExtended strand (participates in β ladder)trans-117.4155.8177.100000111.4I23 I77 P83 I84 F85I23-A60 HydrophobicContact CB-CB 4.23Å; I23-A60 VanDerWaalsContact O-CA 3.31Å; I23-A60 WeakPolarHBondContact O-CA 3.45Å; A60-I77 HydrophobicContact CB-CG2 4.02Å; A60-P83 PolarHBondContact N-O 2.93Å; A60-I84 HydrophobicContact CB-CG1 4.35Å; A60-I84 WeakPolarHBondContact O-CA 3.39Å; A60-F85 PolarHBondContact O-N 2.86Å
61T98.8Very high98.3Very high0 Ų040.5 Ų40.50%021%0.213CC..EExtended strand (participates in β ladder)trans-125.4155.9169.556.30000111.9I23 D25 F85 K87 M92 V98I23-T61 PolarHBondContact O-N 2.81Å; I23-T61 VanDerWaalsContact O-N 3.08Å; D25-T61 WeakPolarHBondContact CA-O 3.35Å; D25-T61 PolarHBondContact N-O 3.37Å; D25-T61 VanDerWaalsContact N-O 3.15Å; D25-T61 WeakPolarHBondContact OD1-CB 2.89Å; D25-T61 PolarHBondContact OD1-OG1 2.82Å; T61-F85 CarbonylContact C-O 3.42Å; T61-F85 VanDerWaalsContact CA-O 3.23Å; T61-F85 WeakPolarHBondContact CA-O 3.39Å; T61-F85 HydrophobicContact CG2-CB 4.34Å; T61-K87 HydrophobicContact CG2-CD 4.13Å; T61-K87 WeakPolarHBondContact OG1-CE 3.22Å; T61-M92 HydrophobicContact CG2-CB 4.03Å; T61-M92 HydrophobicContact CG2-CE 3.47Å; T61-M92 VanDerWaalsContact CG2-CE 3.47Å; T61-M92 HydrophobicContact CG2-CG 3.89Å; T61-M92 WeakPolarHBondContact OG1-CE 3.38Å; T61-M92 WeakPolarHBondContact OG1-CG 3.47Å; T61-V98 HydrophobicContact CG2-CG2 3.87Å
62E98.6Very high98.3Very high0 Ų040.4 Ų40.40%021%0.212CC..EExtended strand (participates in β ladder)trans-126.5120.6169.6-70.1177.1174.500109.2Q27 Y64 P65 T71 R78 I84 F85 E86 K87Q27-E62 HydrophobicContact CG-CB 4.39Å; Q27-E62 HydrophobicContact CG-CG 4.15Å; E62-Y64 PolarHBondContact O-N 2.85Å; E62-P65 HydrophobicContact CB-CB 4.15Å; E62-P65 HydrophobicContact CB-CG 4.2Å; E62-T71 VanDerWaalsContact CG-OG1 3.27Å; E62-T71 WeakPolarHBondContact CG-OG1 3.22Å; E62-T71 VanDerWaalsContact OE1-CB 3.24Å; E62-T71 WeakPolarHBondContact OE1-CB 3.39Å; E62-T71 PolarHBondContact OE1-N 3.33Å; E62-T71 PolarHBondContact OE1-OG1 3.46Å; E62-R78 IonicContact OE1-CZ 3.23Å; E62-R78 VanDerWaalsContact OE1-CZ 3.23Å; E62-R78 IonicContact OE1-NH1 3Å; E62-R78 PolarHBondContact OE1-NH1 3.49Å; E62-R78 IonicContact OE1-NH2 2.78Å; E62-R78 PolarHBondContact OE1-NH2 3Å; E62-R78 IonicContact OE2-CZ 2.88Å; E62-R78 IonicContact OE2-NH2 3.55Å; E62-R78 PolarHBondContact OE2-NH2 3.01Å; E62-I84 HydrophobicContact CB-CG2 4.42Å; E62-I84 HydrophobicContact CG-CG2 3.71Å; E62-F85 PolarHBondContact N-O 3.07Å; E62-E86 WeakPolarHBondContact O-CA 3.39Å; E62-K87 PolarHBondContact O-N 3.01Å
63Q98.5Very high98.3Very high22 Ų2241.1 Ų41.110%0.10322%0.222CC..EExtended strand (participates in β ladder)trans-77.5117.5172.8-179.666.721.200109.1D25 Q27 L68 K87 T88 C89D25-Q63 HydrophobicContact CB-CB 4.26Å; D25-Q63 PolarHBondContact OD1-N 2.92Å; Q27-Q63 PolarHBondContact NE2-O 2.79Å; Q27-Q63 PolarHBondContact OE1-O 2.8Å; Q63-L68 HydrophobicContact CB-CD1 4Å; Q63-L68 HydrophobicContact CG-CD1 3.69Å; Q63-L68 WeakPolarHBondContact O-CB 3.13Å; Q63-L68 VanDerWaalsContact O-CD1 3.26Å; Q63-L68 WeakPolarHBondContact O-CD1 3.26Å; Q63-K87 CarbonylContact C-O 3.5Å; Q63-K87 WeakPolarHBondContact CA-O 3.24Å; Q63-T88 VanDerWaalsContact NE2-C 3.34Å; Q63-T88 PolarHBondContact NE2-O 3.16Å; Q63-C89 PolarHBondContact OE1-O 3.02Å
64Y98Very high98.3Very high119 Ų11942 Ų4247%0.46723%0.225SC..SBendtrans38.762.4174.8-177.3-123.5000113.7E62 K66 G67 L68 K87E62-Y64 PolarHBondContact O-N 2.85Å; Y64-K66 HydrophobicContact CD2-CB 4.46Å; Y64-K66 HydrophobicContact CE2-CB 3.98Å; Y64-K66 PolarHBondContact O-N 3.31Å; Y64-G67 VanDerWaalsContact CE1-CA 3.43Å; Y64-G67 PolarHBondContact O-N 2.7Å; Y64-L68 PolarHBondContact O-N 3.17Å; Y64-K87 PolarHBondContact N-O 3.39Å
65P97.9Very high98.3Very high14 Ų1441.8 Ų41.89%0.09122%0.224CC..Hα-helixtrans-60.9-24.6-170.220.2-31.2000113.9E62 G67 G69 L70 E86E62-P65 HydrophobicContact CB-CB 4.15Å; E62-P65 HydrophobicContact CB-CG 4.2Å; P65-G67 PolarHBondContact O-N 2.72Å; P65-G69 WeakPolarHBondContact CA-O 3.01Å; P65-G69 CarbonylContact O-C 3.49Å; P65-G69 WeakPolarHBondContact O-CA 3.4Å; P65-G69 PolarHBondContact O-N 3.02Å; P65-L70 HydrophobicContact CB-CD2 3.95Å; P65-E86 HydrophobicContact CG-CB 4.16Å; P65-E86 HydrophobicContact CG-CG 3.71Å; P65-E86 WeakPolarHBondContact CG-OE2 3.4Å
66K98.1Very high98.2Very high190 Ų19038.5 Ų38.583%0.82621%0.206SC*.Hα-helixtrans-56.9-36.8171.9-173.7176.4-180179.10112.8Y64Y64-K66 HydrophobicContact CD2-CB 4.46Å; Y64-K66 HydrophobicContact CE2-CB 3.98Å; Y64-K66 PolarHBondContact O-N 3.31Å
67G98Very high98.1Very high36 Ų3638.5 Ų38.537%0.37121%0.206SC..Hα-helixtrans-100.6-33.7179.100000114.3Y64 P65Y64-G67 VanDerWaalsContact CE1-CA 3.43Å; Y64-G67 PolarHBondContact O-N 2.7Å; P65-G67 PolarHBondContact O-N 2.72Å
68L98.3Very high98.1Very high47 Ų4742.6 Ų42.625%0.24622%0.218CC..Hα-helixtrans-100.30.6-174.5-66.2170.2000113.7K29 F30 Q63 Y64K29-L68 WeakPolarHBondContact CB-O 3.28Å; K29-L68 WeakPolarHBondContact CG-O 3.13Å; K29-L68 PolarHBondContact N-O 3.4Å; F30-L68 HydrophobicContact CE1-CD2 4.47Å; F30-L68 HydrophobicContact CE2-CB 4.24Å; F30-L68 HydrophobicContact CE2-CD1 3.96Å; F30-L68 HydrophobicContact CE2-CD2 4.1Å; F30-L68 HydrophobicContact CE2-CG 4.32Å; F30-L68 HydrophobicContact CZ-CD1 3.84Å; F30-L68 HydrophobicContact CZ-CD2 3.9Å; F30-L68 HydrophobicContact CZ-CG 4.39Å; Q63-L68 HydrophobicContact CB-CD1 4Å; Q63-L68 HydrophobicContact CG-CD1 3.69Å; Q63-L68 WeakPolarHBondContact O-CB 3.13Å; Q63-L68 VanDerWaalsContact O-CD1 3.26Å; Q63-L68 WeakPolarHBondContact O-CD1 3.26Å; Y64-L68 PolarHBondContact O-N 3.17Å
69G98.3Very high97.9Very high18 Ų1848.8 Ų48.819%0.18624%0.243CC..  trans76.4175.9-177.800000112.5Q27 P65Q27-G69 PolarHBondContact NE2-O 2.71Å; P65-G69 WeakPolarHBondContact CA-O 3.01Å; P65-G69 CarbonylContact O-C 3.49Å; P65-G69 WeakPolarHBondContact O-CA 3.4Å; P65-G69 PolarHBondContact O-N 3.02Å
70L98.4Very high97.8Very high85 Ų8552.9 Ų52.945%0.44526%0.263SS..SBendtrans-79.8168.1177.4-53.4-173.7000110.6Q27 E28 P65Q27-L70 CarbonylContact C-O 3.57Å; Q27-L70 VanDerWaalsContact CA-O 3.25Å; Q27-L70 WeakPolarHBondContact CA-O 3.46Å; E28-L70 WeakPolarHBondContact CG-O 3.45Å; E28-L70 PolarHBondContact N-O 2.7Å; P65-L70 HydrophobicContact CB-CD2 3.95Å
71T98.7Very high97.7Very high9 Ų961.7 Ų61.76%0.05530%0.301CS..BIsolated β-bridgetrans-53.1140166.6-58.50000110M26 E62 L75 I77M26-T71 HydrophobicContact CB-CG2 4.43Å; M26-T71 CarbonylContact O-C 3.41Å; M26-T71 VanDerWaalsContact O-CA 3.29Å; M26-T71 WeakPolarHBondContact O-CA 3.4Å; E62-T71 VanDerWaalsContact CG-OG1 3.27Å; E62-T71 WeakPolarHBondContact CG-OG1 3.22Å; E62-T71 VanDerWaalsContact OE1-CB 3.24Å; E62-T71 WeakPolarHBondContact OE1-CB 3.39Å; E62-T71 PolarHBondContact OE1-N 3.33Å; E62-T71 PolarHBondContact OE1-OG1 3.46Å; T71-L75 HydrophobicContact CG2-CB 4.34Å; T71-L75 HydrophobicContact CG2-CD1 3.85Å; T71-I77 HydrophobicContact CG2-CG1 3.93Å
72V98.7Very high97.7Very high2 Ų262.7 Ų62.71%0.01231%0.306CS..PPolyproline II helixtrans-57.9135.9-177-61.10000112.1M26 E28 F37 V41 E74 L75M26-V72 WeakPolarHBondContact O-CG1 3.4Å; M26-V72 PolarHBondContact O-N 3.4Å; E28-V72 VanDerWaalsContact OE1-CA 3.23Å; E28-V72 WeakPolarHBondContact OE1-CA 3.49Å; E28-V72 WeakPolarHBondContact OE1-CB 3.3Å; E28-V72 WeakPolarHBondContact OE1-CG1 3.37Å; F37-V72 HydrophobicContact CE1-CG1 3.75Å; F37-V72 HydrophobicContact CZ-CG1 3.69Å; V41-V72 HydrophobicContact CG1-CG2 4.01Å; V41-V72 HydrophobicContact CG2-CG2 4.01Å; V72-E74 WeakPolarHBondContact CB-OE2 3.33Å; V72-E74 HydrophobicContact CG2-CB 4.46Å; V72-E74 PolarHBondContact O-N 2.99Å; V72-L75 HydrophobicContact CG2-CB 4.41Å; V72-L75 HydrophobicContact CG2-CD1 3.79Å; V72-L75 HydrophobicContact CG2-CG 3.74Å; V72-L75 PolarHBondContact O-N 2.88Å; V72-L75 VanDerWaalsContact O-N 3.13Å
73P97.9Very high97.6Very high85 Ų8564.3 Ų64.355%0.55232%0.317SS*.G310 helixtrans-63.5-24.8-176.126.3-34.4000112.7E28 L75 D76E28-P73 WeakPolarHBondContact OE1-CD 3.5Å; P73-L75 PolarHBondContact O-N 2.95Å; P73-L75 VanDerWaalsContact O-N 3.14Å; P73-D76 PolarHBondContact O-N 2.8Å
74E98Very high97.6Very high69 Ų6965.3 Ų65.332%0.32232%0.322SS..G310 helixtrans-55.2-30.1174.8-68.594.4138.800112.4R31 V41 Q45 V72 D76R31-E74 IonicContact CZ-OE1 3.67Å; R31-E74 IonicContact CZ-OE2 3.32Å; R31-E74 IonicContact NH1-OE1 3.73Å; R31-E74 PolarHBondContact NH1-OE1 3.38Å; R31-E74 IonicContact NH1-OE2 2.73Å; R31-E74 VanDerWaalsContact NH2-CD 3.26Å; R31-E74 IonicContact NH2-OE1 3.99Å; R31-E74 PolarHBondContact NH2-OE1 3.36Å; R31-E74 IonicContact NH2-OE2 3.19Å; R31-E74 PolarHBondContact NH2-OE2 3.23Å; V41-E74 HydrophobicContact CG1-CB 3.65Å; V41-E74 HydrophobicContact CG1-CG 4.21Å; Q45-E74 WeakPolarHBondContact CG-O 3.35Å; Q45-E74 PolarHBondContact NE2-O 3.47Å; V72-E74 WeakPolarHBondContact CB-OE2 3.33Å; V72-E74 HydrophobicContact CG2-CB 4.46Å; V72-E74 PolarHBondContact O-N 2.99Å; E74-D76 VanDerWaalsContact C-N 3.3Å
75L98.2Very high97.6Very high2 Ų261.4 Ų61.41%0.0131%0.308CS..G310 helixtrans-80.8-8179-66.3175000113.3I23 M26 A44 Q45 L48 T71 V72 P73 I77I23-L75 HydrophobicContact CG2-CD1 4.26Å; M26-L75 HydrophobicContact CB-CD1 3.57Å; M26-L75 HydrophobicContact CG-CD1 4.04Å; A44-L75 HydrophobicContact CB-CD1 4.42Å; A44-L75 HydrophobicContact CB-CD2 3.61Å; Q45-L75 HydrophobicContact CB-CD2 4.33Å; Q45-L75 HydrophobicContact CG-CD2 3.67Å; L48-L75 WeakPolarHBondContact CD2-O 3.31Å; T71-L75 HydrophobicContact CG2-CB 4.34Å; T71-L75 HydrophobicContact CG2-CD1 3.85Å; V72-L75 HydrophobicContact CG2-CB 4.41Å; V72-L75 HydrophobicContact CG2-CD1 3.79Å; V72-L75 HydrophobicContact CG2-CG 3.74Å; V72-L75 PolarHBondContact O-N 2.88Å; V72-L75 VanDerWaalsContact O-N 3.13Å; P73-L75 PolarHBondContact O-N 2.95Å; P73-L75 VanDerWaalsContact O-N 3.14Å; L75-I77 HydrophobicContact CB-CD1 4.03Å; L75-I77 HydrophobicContact CB-CG1 3.69Å; L75-I77 PolarHBondContact O-N 3.38Å
76D95.9Very high97.6Very high66 Ų6667.1 Ų67.135%0.35333%0.333SS..  trans51.616.4177.5-83.1-34.2000114.8P73 E74 R78 K79 E80P73-D76 PolarHBondContact O-N 2.8Å; E74-D76 VanDerWaalsContact C-N 3.3Å; D76-R78 VanDerWaalsContact C-N 3.3Å; D76-R78 PolarHBondContact O-N 3.48Å; D76-R78 VanDerWaalsContact O-N 3.15Å; D76-K79 HydrophobicContact CB-CB 4.3Å; D76-K79 HydrophobicContact CB-CD 4.28Å; D76-K79 WeakPolarHBondContact O-CA 3.34Å; D76-K79 WeakPolarHBondContact O-CB 3.31Å; D76-K79 PolarHBondContact O-N 2.97Å; D76-K79 WeakPolarHBondContact OD1-CD 3.37Å; D76-K79 IonicContact OD2-NZ 2.77Å; D76-E80 HydrophobicContact CB-CG 4.34Å; D76-E80 PolarHBondContact O-N 2.99Å
77I96.9Very high97.6Very high4 Ų458.5 Ų58.52%0.02130%0.295CS..THydrogen-bonded Turntrans-53.9-45.3-170.5-60.3-62.1000112.1I23 L48 A60 T71 L75 K81 I82 I84I23-I77 HydrophobicContact CD1-CD1 3.74Å; L48-I77 HydrophobicContact CD1-CD1 4.33Å; L48-I77 HydrophobicContact CD2-CD1 3.65Å; A60-I77 HydrophobicContact CB-CG2 4.02Å; T71-I77 HydrophobicContact CG2-CG1 3.93Å; L75-I77 HydrophobicContact CB-CD1 4.03Å; L75-I77 HydrophobicContact CB-CG1 3.69Å; L75-I77 PolarHBondContact O-N 3.38Å; I77-K81 PolarHBondContact O-N 3.47Å; I77-I82 HydrophobicContact CD1-CD1 3.93Å; I77-I82 HydrophobicContact CG2-CB 3.7Å; I77-I82 HydrophobicContact CG2-CG2 3.84Å; I77-I82 PolarHBondContact O-N 3.2Å; I77-I84 HydrophobicContact CB-CD1 4.16Å; I77-I84 HydrophobicContact CG2-CD1 3.43Å; I77-I84 VanDerWaalsContact CG2-CD1 3.43Å; I77-I84 HydrophobicContact CG2-CG1 3.46Å; I77-I84 VanDerWaalsContact CG2-CG1 3.46Å
78R96.3Very high97.5Very high113 Ų11362.1 Ų62.143%0.42631%0.311SS..THydrogen-bonded Turntrans-67.8-38.2178.6-70.6177.9170.867.87.7112.3E62 D76 K81 I84E62-R78 IonicContact OE1-CZ 3.23Å; E62-R78 VanDerWaalsContact OE1-CZ 3.23Å; E62-R78 IonicContact OE1-NH1 3Å; E62-R78 PolarHBondContact OE1-NH1 3.49Å; E62-R78 IonicContact OE1-NH2 2.78Å; E62-R78 PolarHBondContact OE1-NH2 3Å; E62-R78 IonicContact OE2-CZ 2.88Å; E62-R78 IonicContact OE2-NH2 3.55Å; E62-R78 PolarHBondContact OE2-NH2 3.01Å; D76-R78 VanDerWaalsContact C-N 3.3Å; D76-R78 PolarHBondContact O-N 3.48Å; D76-R78 VanDerWaalsContact O-N 3.15Å; R78-K81 PolarHBondContact O-N 3.49Å; R78-I84 HydrophobicContact CG-CD1 3.67Å
79K96.3Very high97.4Very high142 Ų14261.9 Ų61.962%0.61731%0.313SS*.THydrogen-bonded Turntrans-66.7-40.7179.2178.3-171.5170-165.30110.9D76 K81D76-K79 HydrophobicContact CB-CB 4.3Å; D76-K79 HydrophobicContact CB-CD 4.28Å; D76-K79 WeakPolarHBondContact O-CA 3.34Å; D76-K79 WeakPolarHBondContact O-CB 3.31Å; D76-K79 PolarHBondContact O-N 2.97Å; D76-K79 WeakPolarHBondContact OD1-CD 3.37Å; D76-K79 IonicContact OD2-NZ 2.77Å; K79-K81 PolarHBondContact O-N 3.43Å
80E95.9Very high97.4Very high86 Ų8666.5 Ų66.540%0.40233%0.328SS..THydrogen-bonded Turntrans-793.5176-58.2-55.5151.300113.4M52 D76 I82M52-E80 HydrophobicContact CE-CG 4.36Å; M52-E80 HydrophobicContact SD-CB 4.16Å; M52-E80 HydrophobicContact SD-CG 3.87Å; D76-E80 HydrophobicContact CB-CG 4.34Å; D76-E80 PolarHBondContact O-N 2.99Å; E80-I82 HydrophobicContact CB-CD1 3.92Å; E80-I82 HydrophobicContact CB-CG1 4.08Å; E80-I82 PolarHBondContact O-N 3.33Å
81K96.9Very high97.4Very high187 Ų18762.8 Ų62.881%0.81331%0.309SS*.THydrogen-bonded Turntrans55.133.3179.3-55.8178.9-178.7176.80113.5I77 R78 K79I77-K81 PolarHBondContact O-N 3.47Å; R78-K81 PolarHBondContact O-N 3.49Å; K79-K81 PolarHBondContact O-N 3.43Å
82I97.6Very high97.4Very high20 Ų2062.4 Ų62.410%0.10331%0.306CS..  trans-72.4135.9176.2-68.6165.4000108.7L48 V58 I77 E80 I84L48-I82 HydrophobicContact CD1-CD1 3.29Å; L48-I82 HydrophobicContact CD2-CD1 4.39Å; L48-I82 HydrophobicContact CG-CD1 4.43Å; V58-I82 HydrophobicContact CB-CD1 4.26Å; V58-I82 HydrophobicContact CB-CG1 4.44Å; V58-I82 HydrophobicContact CB-CG2 3.96Å; V58-I82 HydrophobicContact CG1-CD1 4.31Å; V58-I82 HydrophobicContact CG1-CG2 3.91Å; I77-I82 HydrophobicContact CD1-CD1 3.93Å; I77-I82 HydrophobicContact CG2-CB 3.7Å; I77-I82 HydrophobicContact CG2-CG2 3.84Å; I77-I82 PolarHBondContact O-N 3.2Å; E80-I82 HydrophobicContact CB-CD1 3.92Å; E80-I82 HydrophobicContact CB-CG1 4.08Å; E80-I82 PolarHBondContact O-N 3.33Å; I82-I84 WeakPolarHBondContact O-CG1 3.36Å; I82-I84 PolarHBondContact O-N 3.1Å
83P97.4Very high97.3Very high35 Ų3562.7 Ų62.723%0.22731%0.308CS..  trans-56.2125.4175.1-23.932.1000111.8A60 F85 Y101A60-P83 PolarHBondContact N-O 2.93Å; P83-F85 HydrophobicContact CB-CE2 3.74Å; P83-F85 HydrophobicContact CB-CZ 4.29Å; P83-Y101 HydrophobicContact CB-CE1 4.1Å; P83-Y101 HydrophobicContact CG-CE1 3.84Å; P83-Y101 WeakPolarHBondContact CG-OH 3.47Å
84I97.7Very high96.8Very high43 Ų4360.8 Ų60.822%0.22130%0.303CS..EExtended strand (participates in β ladder)trans-118128.5173.4-49.9-176.7000108.2A60 E62 I77 R78 I82A60-I84 HydrophobicContact CB-CG1 4.35Å; A60-I84 WeakPolarHBondContact O-CA 3.39Å; E62-I84 HydrophobicContact CB-CG2 4.42Å; E62-I84 HydrophobicContact CG-CG2 3.71Å; I77-I84 HydrophobicContact CB-CD1 4.16Å; I77-I84 HydrophobicContact CG2-CD1 3.43Å; I77-I84 VanDerWaalsContact CG2-CD1 3.43Å; I77-I84 HydrophobicContact CG2-CG1 3.46Å; I77-I84 VanDerWaalsContact CG2-CG1 3.46Å; R78-I84 HydrophobicContact CG-CD1 3.67Å; I82-I84 WeakPolarHBondContact O-CG1 3.36Å; I82-I84 PolarHBondContact O-N 3.1Å
85F97.9Very high96Very high37 Ų3758.5 Ų58.516%0.16230%0.295CS..EExtended strand (participates in β ladder)trans-114.2124.3175.9-62.8-89.9000110.7V59 A60 T61 E62 P83 V98 Y101V59-F85 HydrophobicContact CG1-CD2 3.77Å; V59-F85 HydrophobicContact CG1-CE2 3.78Å; A60-F85 PolarHBondContact O-N 2.86Å; T61-F85 CarbonylContact C-O 3.42Å; T61-F85 VanDerWaalsContact CA-O 3.23Å; T61-F85 WeakPolarHBondContact CA-O 3.39Å; T61-F85 HydrophobicContact CG2-CB 4.34Å; E62-F85 PolarHBondContact N-O 3.07Å; P83-F85 HydrophobicContact CB-CE2 3.74Å; P83-F85 HydrophobicContact CB-CZ 4.29Å; F85-V98 HydrophobicContact CB-CG2 3.42Å; F85-V98 VanDerWaalsContact CB-CG2 3.42Å; F85-V98 HydrophobicContact CD1-CG2 4.27Å; F85-V98 HydrophobicContact CD2-CG2 3.85Å; F85-V98 HydrophobicContact CG-CG2 3.59Å; F85-Y101 HydrophobicContact CE1-CG 4.48Å; F85-Y101 AromaticContact CE2-CD1 3.98Å; F85-Y101 HydrophobicContact CE2-CD1 3.98Å; F85-Y101 AromaticContact CE2-CG 4Å; F85-Y101 HydrophobicContact CE2-CG 4Å; F85-Y101 AromaticContact CZ-CD1 3.94Å; F85-Y101 HydrophobicContact CZ-CD1 3.94Å; F85-Y101 AromaticContact CZ-CD2 3.71Å; F85-Y101 HydrophobicContact CZ-CD2 3.71Å; F85-Y101 HydrophobicContact CZ-CE2 4.36Å; F85-Y101 AromaticContact CZ-CG 3.48Å; F85-Y101 HydrophobicContact CZ-CG 3.48Å; F85-Y101 VanDerWaalsContact CZ-CG 3.48Å
86E97.4Very high95.2Very high133 Ų13364.3 Ų64.362%0.62132%0.322SS*.EExtended strand (participates in β ladder)trans-77.5140.2171.6-52.5-169.7-179.100110.1E62 P65E62-E86 WeakPolarHBondContact O-CA 3.39Å; P65-E86 HydrophobicContact CG-CB 4.16Å; P65-E86 HydrophobicContact CG-CG 3.71Å; P65-E86 WeakPolarHBondContact CG-OE2 3.4Å
87K98.2Very high95Very high9 Ų963.6 Ų63.64%0.03932%0.322CS..EExtended strand (participates in β ladder)trans-146.7160.9179.664178.6-179.572.40112.6D25 T61 E62 Q63 Y64 C89 F90D25-K87 WeakPolarHBondContact OD1-CE 3.23Å; D25-K87 IonicContact OD1-NZ 2.73Å; D25-K87 PolarHBondContact OD1-NZ 3.26Å; D25-K87 WeakPolarHBondContact OD2-CE 3.47Å; D25-K87 IonicContact OD2-NZ 3.4Å; D25-K87 PolarHBondContact OD2-NZ 3.22Å; T61-K87 HydrophobicContact CG2-CD 4.13Å; T61-K87 WeakPolarHBondContact OG1-CE 3.22Å; E62-K87 PolarHBondContact O-N 3.01Å; Q63-K87 CarbonylContact C-O 3.5Å; Q63-K87 WeakPolarHBondContact CA-O 3.24Å; Y64-K87 PolarHBondContact N-O 3.39Å; K87-C89 WeakPolarHBondContact CD-O 3.43Å; K87-C89 PolarHBondContact NZ-O 2.99Å; K87-F90 PolarHBondContact NZ-O 3.41Å
88T96.5Very high94.9Very high113 Ų11363.4 Ų63.469%0.69332%0.321SS*.SBendtrans-116.9-20.5169.154.30000112.4Q63Q63-T88 VanDerWaalsContact NE2-C 3.34Å; Q63-T88 PolarHBondContact NE2-O 3.16Å
89C97.1Very high94.9Very high42 Ų4259.1 Ų59.128%0.28431%0.307SS..SBendtrans-71.2148.116952.80000110.9Q63 K87 G94 S95Q63-C89 PolarHBondContact OE1-O 3.02Å; K87-C89 WeakPolarHBondContact CD-O 3.43Å; K87-C89 PolarHBondContact NZ-O 2.99Å; C89-G94 PolarHBondContact SG-O 3.16Å; C89-S95 PolarHBondContact SG-N 3.05Å
90F98.4Very high94.9Very high115 Ų11556.4 Ų56.450%0.50430%0.299SS..SBendtrans-70.9-47.3-176-62.2-47.4000112.5K87 V121 C122 Q125K87-F90 PolarHBondContact NZ-O 3.41Å; F90-V121 HydrophobicContact CB-CG1 3.97Å; F90-V121 HydrophobicContact CD1-CG1 3.55Å; F90-V121 HydrophobicContact CD2-CG1 4.05Å; F90-V121 HydrophobicContact CE1-CG1 4Å; F90-V121 HydrophobicContact CE2-CG1 4.44Å; F90-V121 HydrophobicContact CG-CG1 3.59Å; F90-V121 HydrophobicContact CZ-CG1 4.42Å; F90-C122 VanDerWaalsContact O-CA 3.3Å; F90-C122 WeakPolarHBondContact O-CA 3.35Å; F90-C122 VanDerWaalsContact O-CB 3.24Å; F90-C122 WeakPolarHBondContact O-CB 3.49Å; F90-C122 PolarHBondContact O-SG 2.91Å; F90-Q125 HydrophobicContact CB-CB 4.44Å; F90-Q125 HydrophobicContact CB-CG 4.17Å
91S98.5Very high95Very high7 Ų755.1 Ų55.15%0.04929%0.291CS..SBendtrans-64.7139175.5174.40000111.5L93 G94 T126 D129S91-L93 PolarHBondContact O-N 2.9Å; S91-L93 PolarHBondContact OG-N 3.44Å; S91-G94 PolarHBondContact O-N 3.31Å; S91-G94 PolarHBondContact OG-N 3.31Å; S91-T126 WeakPolarHBondContact CA-OG1 3.49Å; S91-D129 WeakPolarHBondContact CB-OD2 3.38Å; S91-D129 PolarHBondContact OG-OD2 3.47Å
92M98.6Very high95Very high0 Ų046.4 Ų46.40%025%0.253CS..SBendtrans-59.3-36.2168.5-63.2-177.975.500111L22 C24 T61 G94 V98 L114 T126L22-M92 HydrophobicContact CB-CE 3.92Å; L22-M92 HydrophobicContact CB-SD 3.9Å; L22-M92 HydrophobicContact CD1-SD 4.25Å; L22-M92 HydrophobicContact CD2-CE 4.31Å; L22-M92 HydrophobicContact CG-CE 4.48Å; C24-M92 HydrophobicContact CB-CG 4.31Å; C24-M92 HydrophobicContact CB-SD 3.7Å; T61-M92 HydrophobicContact CG2-CB 4.03Å; T61-M92 HydrophobicContact CG2-CE 3.47Å; T61-M92 VanDerWaalsContact CG2-CE 3.47Å; T61-M92 HydrophobicContact CG2-CG 3.89Å; T61-M92 WeakPolarHBondContact OG1-CE 3.38Å; T61-M92 WeakPolarHBondContact OG1-CG 3.47Å; M92-G94 VanDerWaalsContact C-N 3.35Å; M92-V98 WeakPolarHBondContact O-CB 3.46Å; M92-V98 WeakPolarHBondContact O-CG1 3.38Å; M92-V98 WeakPolarHBondContact O-CG2 3.4Å; M92-L114 HydrophobicContact SD-CD1 3.97Å; M92-T126 HydrophobicContact CB-CG2 3.87Å; M92-T126 HydrophobicContact CG-CG2 4Å; M92-T126 PolarHBondContact N-OG1 3.46Å; M92-T126 HydrophobicContact SD-CG2 4.14Å
93L96.3Very high94.9Very high9 Ų948.6 Ų48.65%0.04727%0.271CS..THydrogen-bonded Turntrans-85.5-8.5179.5-73.182000113S91 S95 T126 D129 L130 K133S91-L93 PolarHBondContact O-N 2.9Å; S91-L93 PolarHBondContact OG-N 3.44Å; L93-S95 PolarHBondContact O-N 2.94Å; L93-T126 HydrophobicContact CD1-CG2 3.82Å; L93-D129 HydrophobicContact CB-CB 3.99Å; L93-D129 HydrophobicContact CD2-CB 4.42Å; L93-L130 HydrophobicContact CD1-CD1 4.41Å; L93-L130 HydrophobicContact CD1-CD2 3.77Å; L93-L130 HydrophobicContact CD1-CG 3.75Å; L93-L130 HydrophobicContact CD2-CD2 3.8Å; L93-L130 HydrophobicContact CD2-CG 4.27Å; L93-L130 HydrophobicContact CG-CD2 4.45Å; L93-K133 HydrophobicContact CD2-CD 3.76Å
94G86.1Confident94.9Very high44 Ų4454.7 Ų54.745%0.45429%0.293SS..THydrogen-bonded Turntrans-69.3-16.6172.800000112.7C89 S91 M92C89-G94 PolarHBondContact SG-O 3.16Å; S91-G94 PolarHBondContact O-N 3.31Å; S91-G94 PolarHBondContact OG-N 3.31Å; M92-G94 VanDerWaalsContact C-N 3.35Å
95S83Confident94.9Very high22 Ų2257.2 Ų57.215%0.15430%0.304CS..SBendtrans-91118.1170.1-174.40000109.1C89 L93 S97 V98 D99C89-S95 PolarHBondContact SG-N 3.05Å; L93-S95 PolarHBondContact O-N 2.94Å; S95-S97 PolarHBondContact O-N 3.23Å; S95-S97 PolarHBondContact OG-OG 3.02Å; S95-V98 PolarHBondContact O-N 3.44Å; S95-D99 PolarHBondContact O-N 2.98Å
96Q79.8Confident94.9Very high123 Ų12357 Ų5758%0.57530%0.303SS*.Hα-helixtrans-51.9-33.1178.3-164.764.649.200111.9V98 D100Q96-V98 PolarHBondContact O-N 3.34Å; Q96-D100 WeakPolarHBondContact CG-OD2 3.25Å; Q96-D100 PolarHBondContact NE2-OD1 3.09Å; Q96-D100 VanDerWaalsContact O-CB 3.22Å; Q96-D100 WeakPolarHBondContact O-CB 3.35Å; Q96-D100 PolarHBondContact O-N 2.96Å
97S92.2Very high94.8Very high51 Ų5153.8 Ų53.836%0.35729%0.294SS..Hα-helixtrans-61.7-37.2178.758.60000114.2S95 Y101S95-S97 PolarHBondContact O-N 3.23Å; S95-S97 PolarHBondContact OG-OG 3.02Å; S97-Y101 WeakPolarHBondContact O-CB 3.29Å; S97-Y101 PolarHBondContact O-N 3.22Å
98V95.5Very high94.6Very high0 Ų060 Ų600%033%0.327CS..Hα-helixtrans-77.4-46.5-179.31770000110.1V59 T61 F85 M92 S95 Q96 Y101 I102V59-V98 HydrophobicContact CG1-CG1 4.42Å; T61-V98 HydrophobicContact CG2-CG2 3.87Å; F85-V98 HydrophobicContact CB-CG2 3.42Å; F85-V98 VanDerWaalsContact CB-CG2 3.42Å; F85-V98 HydrophobicContact CD1-CG2 4.27Å; F85-V98 HydrophobicContact CD2-CG2 3.85Å; F85-V98 HydrophobicContact CG-CG2 3.59Å; M92-V98 WeakPolarHBondContact O-CB 3.46Å; M92-V98 WeakPolarHBondContact O-CG1 3.38Å; M92-V98 WeakPolarHBondContact O-CG2 3.4Å; S95-V98 PolarHBondContact O-N 3.44Å; Q96-V98 PolarHBondContact O-N 3.34Å; V98-Y101 PolarHBondContact O-N 2.9Å; V98-I102 HydrophobicContact CG1-CD1 3.77Å; V98-I102 HydrophobicContact CG1-CG1 4.42Å; V98-I102 WeakPolarHBondContact O-CG1 3.5Å; V98-I102 PolarHBondContact O-N 2.85Å
99D95.1Very high94.6Very high23 Ų2356.7 Ų56.712%0.12330%0.302CS..Hα-helixtrans-62.9-44.7-178.5-169.946.8000112S95 Y101 I102 S103 K133S95-D99 PolarHBondContact O-N 2.98Å; D99-Y101 VanDerWaalsContact C-N 3.33Å; D99-Y101 PolarHBondContact O-N 3.44Å; D99-I102 PolarHBondContact O-N 3.4Å; D99-S103 VanDerWaalsContact O-CB 3.3Å; D99-S103 WeakPolarHBondContact O-CB 3.42Å; D99-S103 PolarHBondContact O-N 3.03Å; D99-S103 PolarHBondContact O-OG 3.49Å; D99-K133 IonicContact OD1-NZ 2.65Å; D99-K133 PolarHBondContact OD1-NZ 2.62Å; D99-K133 IonicContact OD2-NZ 2.79Å; D99-K133 PolarHBondContact OD2-NZ 2.89Å
100D96.6Very high94.5Very high85 Ų8559 Ų5946%0.45531%0.307SS..Hα-helixtrans-62.6-42.5175.1-73-10.1000111Q96 S103 K104Q96-D100 WeakPolarHBondContact CG-OD2 3.25Å; Q96-D100 PolarHBondContact NE2-OD1 3.09Å; Q96-D100 VanDerWaalsContact O-CB 3.22Å; Q96-D100 WeakPolarHBondContact O-CB 3.35Å; Q96-D100 PolarHBondContact O-N 2.96Å; D100-S103 PolarHBondContact O-N 2.78Å; D100-K104 WeakPolarHBondContact O-CB 3.33Å; D100-K104 PolarHBondContact O-N 3.38Å
101Y97.5Very high94.4Very high60 Ų6053.5 Ų53.524%0.23528%0.283CS..Hα-helixtrans-62.4-48.4179.2-175.1-95000111.4V59 P83 F85 S97 V98 D99 K104 H105 F106V59-Y101 HydrophobicContact CG2-CD1 3.98Å; V59-Y101 HydrophobicContact CG2-CE1 3.85Å; P83-Y101 HydrophobicContact CB-CE1 4.1Å; P83-Y101 HydrophobicContact CG-CE1 3.84Å; P83-Y101 WeakPolarHBondContact CG-OH 3.47Å; F85-Y101 HydrophobicContact CE1-CG 4.48Å; F85-Y101 AromaticContact CE2-CD1 3.98Å; F85-Y101 HydrophobicContact CE2-CD1 3.98Å; F85-Y101 AromaticContact CE2-CG 4Å; F85-Y101 HydrophobicContact CE2-CG 4Å; F85-Y101 AromaticContact CZ-CD1 3.94Å; F85-Y101 HydrophobicContact CZ-CD1 3.94Å; F85-Y101 AromaticContact CZ-CD2 3.71Å; F85-Y101 HydrophobicContact CZ-CD2 3.71Å; F85-Y101 HydrophobicContact CZ-CE2 4.36Å; F85-Y101 AromaticContact CZ-CG 3.48Å; F85-Y101 HydrophobicContact CZ-CG 3.48Å; F85-Y101 VanDerWaalsContact CZ-CG 3.48Å; S97-Y101 WeakPolarHBondContact O-CB 3.29Å; S97-Y101 PolarHBondContact O-N 3.22Å; V98-Y101 PolarHBondContact O-N 2.9Å; D99-Y101 VanDerWaalsContact C-N 3.33Å; D99-Y101 PolarHBondContact O-N 3.44Å; Y101-K104 PolarHBondContact O-N 2.9Å; Y101-H105 AromaticContact CD2-CD2 3.36Å; Y101-H105 WeakPolarHBondContact CD2-CD2 3.28Å; Y101-H105 AromaticContact CD2-NE2 3.77Å; Y101-H105 AromaticContact CE2-CD2 3.36Å; Y101-H105 WeakPolarHBondContact CE2-CD2 3.4Å; Y101-H105 AromaticContact CE2-NE2 3.61Å; Y101-H105 AromaticContact CG-CD2 3.9Å; Y101-H105 AromaticContact CZ-CD2 3.89Å; Y101-H105 WeakPolarHBondContact O-CB 3.46Å; Y101-H105 PolarHBondContact O-CD2 2.77Å; Y101-H105 VanDerWaalsContact O-CD2 3.3Å; Y101-H105 PolarHBondContact O-N 3.48Å; Y101-F106 HydrophobicContact CD1-CE2 4.15Å; Y101-F106 AromaticContact CE1-CE2 3.64Å; Y101-F106 HydrophobicContact CE1-CE2 3.64Å; Y101-F106 HydrophobicContact CE1-CZ 4.07Å
102I97.3Very high94.4Very high4 Ų453.2 Ų53.22%0.02128%0.281CS..Hα-helixtrans-62-47.9178.6-67.6171000110.4L20 L22 V98 D99 K104 F106 F135L20-I102 HydrophobicContact CD2-CB 4.47Å; L20-I102 HydrophobicContact CD2-CD1 3.95Å; L20-I102 HydrophobicContact CD2-CG1 3.92Å; L20-I102 HydrophobicContact CD2-CG2 3.76Å; L22-I102 HydrophobicContact CD1-CD1 4.38Å; L22-I102 HydrophobicContact CD2-CD1 3.97Å; V98-I102 HydrophobicContact CG1-CD1 3.77Å; V98-I102 HydrophobicContact CG1-CG1 4.42Å; V98-I102 WeakPolarHBondContact O-CG1 3.5Å; V98-I102 PolarHBondContact O-N 2.85Å; D99-I102 PolarHBondContact O-N 3.4Å; I102-K104 VanDerWaalsContact C-N 3.32Å; I102-K104 PolarHBondContact O-N 2.91Å; I102-F106 CarbonylContact O-C 3.56Å; I102-F106 WeakPolarHBondContact O-CA 3.37Å; I102-F106 WeakPolarHBondContact O-CB 3.44Å; I102-F106 PolarHBondContact O-N 3.49Å; I102-F135 HydrophobicContact CG2-CZ 4.29Å
103S95.8Very high94.4Very high66 Ų6653.4 Ų53.446%0.46228%0.282SS..Hα-helixtrans-63.1-39.1-178.5-63.10000112.3D99 D100D99-S103 VanDerWaalsContact O-CB 3.3Å; D99-S103 WeakPolarHBondContact O-CB 3.42Å; D99-S103 PolarHBondContact O-N 3.03Å; D99-S103 PolarHBondContact O-OG 3.49Å; D100-S103 PolarHBondContact O-N 2.78Å
104K97.4Very high94.6Very high163 Ų16353 Ų5371%0.70928%0.28SS*.Hα-helixtrans-74-46.5180-178.7179.2178.9-178.90112.8D100 Y101 I102D100-K104 WeakPolarHBondContact O-CB 3.33Å; D100-K104 PolarHBondContact O-N 3.38Å; Y101-K104 PolarHBondContact O-N 2.9Å; I102-K104 VanDerWaalsContact C-N 3.32Å; I102-K104 PolarHBondContact O-N 2.91Å
105H97.7Very high95.2Very high95 Ų9550.9 Ų50.944%0.4426%0.258SS..Hα-helixtrans-93-24.3-170.6-69.4-81.2000113.3Y101 P107Y101-H105 AromaticContact CD2-CD2 3.36Å; Y101-H105 WeakPolarHBondContact CD2-CD2 3.28Å; Y101-H105 AromaticContact CD2-NE2 3.77Å; Y101-H105 AromaticContact CE2-CD2 3.36Å; Y101-H105 WeakPolarHBondContact CE2-CD2 3.4Å; Y101-H105 AromaticContact CE2-NE2 3.61Å; Y101-H105 AromaticContact CG-CD2 3.9Å; Y101-H105 AromaticContact CZ-CD2 3.89Å; Y101-H105 WeakPolarHBondContact O-CB 3.46Å; Y101-H105 PolarHBondContact O-CD2 2.77Å; Y101-H105 VanDerWaalsContact O-CD2 3.3Å; Y101-H105 PolarHBondContact O-N 3.48Å; H105-P107 VanDerWaalsContact C-CD 3.44Å
106F97.2Very high95.9Very high34 Ų3449.8 Ų49.815%0.14925%0.251CS..  trans-132.143.9-172.9-50.1-50.6000113.9L20 P57 V59 Y101 I102 N108 R109L20-F106 HydrophobicContact CD1-CD2 3.81Å; L20-F106 HydrophobicContact CD1-CE2 3.98Å; L20-F106 HydrophobicContact CD1-CG 4.42Å; L20-F106 HydrophobicContact CD2-CD2 4.34Å; P57-F106 HydrophobicContact CB-CD1 4.02Å; P57-F106 HydrophobicContact CB-CE1 3.46Å; P57-F106 VanDerWaalsContact CB-CE1 3.46Å; P57-F106 HydrophobicContact CB-CE2 4.09Å; P57-F106 HydrophobicContact CB-CZ 3.51Å; P57-F106 HydrophobicContact CG-CD1 3.84Å; P57-F106 HydrophobicContact CG-CE1 3.57Å; P57-F106 HydrophobicContact CG-CZ 4.17Å; V59-F106 HydrophobicContact CG2-CE2 3.95Å; Y101-F106 HydrophobicContact CD1-CE2 4.15Å; Y101-F106 AromaticContact CE1-CE2 3.64Å; Y101-F106 HydrophobicContact CE1-CE2 3.64Å; Y101-F106 HydrophobicContact CE1-CZ 4.07Å; I102-F106 CarbonylContact O-C 3.56Å; I102-F106 WeakPolarHBondContact O-CA 3.37Å; I102-F106 WeakPolarHBondContact O-CB 3.44Å; I102-F106 PolarHBondContact O-N 3.49Å; F106-N108 PolarHBondContact O-N 3.15Å; F106-R109 HydrophobicContact CB-CB 4.14Å; F106-R109 HydrophobicContact CB-CG 4.25Å; F106-R109 PolarHBondContact O-N 2.87Å
107P95.9Very high96.8Very high65 Ų6544 Ų4442%0.42222%0.224SC..THydrogen-bonded Turntrans-58.9-27.4-17124.3-35.4000114.3H105 K110H105-P107 VanDerWaalsContact C-CD 3.44Å; P107-K110 WeakPolarHBondContact O-CE 3.48Å; P107-K110 PolarHBondContact O-NZ 2.91Å
108N94.5Very high97.1Very high138 Ų13842.9 Ų42.974%0.73821%0.213SC*.THydrogen-bonded Turntrans-93.6-5.7-177.2-62-35.6000114F106 K110F106-N108 PolarHBondContact O-N 3.15Å; N108-K110 PolarHBondContact O-N 3.02Å
109R96Very high97.3Very high44 Ų4442.9 Ų42.917%0.16621%0.213CC..  trans-90.394.1-178.4-65.9-179.6177.3-90.45.8109.2S16 N18 A19 L20 D55 P57 F106 F135S16-R109 PolarHBondContact O-NH1 3.13Å; N18-R109 CarbonylContact O-C 3.59Å; N18-R109 VanDerWaalsContact O-C 3.25Å; N18-R109 WeakPolarHBondContact O-CA 3.31Å; N18-R109 WeakPolarHBondContact O-CB 3.14Å; A19-R109 VanDerWaalsContact O-CD 3.26Å; A19-R109 WeakPolarHBondContact O-CD 3.31Å; A19-R109 PolarHBondContact O-NH1 2.84Å; L20-R109 HydrophobicContact CB-CB 4.31Å; D55-R109 PolarHBondContact O-NH2 2.84Å; P57-R109 VanDerWaalsContact CD-NH2 3.33Å; P57-R109 VanDerWaalsContact CG-CZ 3.43Å; P57-R109 VanDerWaalsContact CG-NE 3.28Å; F106-R109 HydrophobicContact CB-CB 4.14Å; F106-R109 HydrophobicContact CB-CG 4.25Å; F106-R109 PolarHBondContact O-N 2.87Å; R109-F135 VanDerWaalsContact O-CE1 3.24Å; R109-F135 WeakPolarHBondContact O-CE1 3.48Å
110K95.4Very high97.5Very high90 Ų9044.5 Ų44.539%0.39122%0.22SC..  trans-97.7-2.8-174.9-63-58.1-175.7-172.80114.4N18 P107 N108 F135 D136N18-K110 PolarHBondContact O-N 3.17Å; N18-K110 VanDerWaalsContact O-N 3.15Å; P107-K110 WeakPolarHBondContact O-CE 3.48Å; P107-K110 PolarHBondContact O-NZ 2.91Å; N108-K110 PolarHBondContact O-N 3.02Å; K110-F135 HydrophobicContact CD-CE1 4.37Å; K110-F135 CarbonylContact O-C 3.41Å; K110-F135 WeakPolarHBondContact O-CA 3.33Å; K110-D136 PolarHBondContact O-N 3.48Å
111S97.1Very high97.6Very high1 Ų142 Ų421%0.00721%0.207CC..EExtended strand (participates in β ladder)trans-109.7122.6175.2-560000109.7N18 A19 L20 D136N18-S111 PolarHBondContact O-N 3.3Å; N18-S111 VanDerWaalsContact O-N 3.07Å; A19-S111 CarbonylContact C-O 3.51Å; A19-S111 VanDerWaalsContact CA-O 3.22Å; A19-S111 WeakPolarHBondContact CA-O 3.38Å; L20-S111 PolarHBondContact N-O 3.49Å; S111-D136 CarbonylContact C-O 3.58Å; S111-D136 VanDerWaalsContact CA-O 3.31Å; S111-D136 WeakPolarHBondContact CA-O 2.89Å
112V98.3Very high97.6Very high0 Ų039.6 Ų39.60%020%0.199CC..EExtended strand (participates in β ladder)trans-106.2124.3179.11710000109.5L20 L22 L114 L130 F135 D136 H138L20-V112 CarbonylContact O-C 3.59Å; L20-V112 WeakPolarHBondContact O-CA 3.26Å; L22-V112 HydrophobicContact CB-CG1 4.22Å; L22-V112 HydrophobicContact CD1-CG1 3.69Å; L22-V112 HydrophobicContact CG-CG1 3.75Å; V112-L114 HydrophobicContact CG1-CB 4.3Å; V112-L130 HydrophobicContact CB-CD1 4.16Å; V112-L130 HydrophobicContact CB-CD2 4.5Å; V112-L130 HydrophobicContact CG1-CD1 3.77Å; V112-L130 HydrophobicContact CG2-CD1 4.37Å; V112-L130 HydrophobicContact CG2-CD2 3.85Å; V112-F135 HydrophobicContact CG2-CB 4.38Å; V112-F135 HydrophobicContact CG2-CD1 3.74Å; V112-F135 HydrophobicContact CG2-CE1 4.29Å; V112-F135 HydrophobicContact CG2-CG 4.24Å; V112-D136 PolarHBondContact N-O 3.44Å; V112-H138 PolarHBondContact O-N 3.01Å
113I98.8Very high97.7Very high4 Ų439.4 Ų39.42%0.02120%0.198CC..EExtended strand (participates in β ladder)trans-89.5120.2165-54.2160.5000105.8L14 A19 L20 L21 L22 L47 H138 V140 V172 L176L14-I113 HydrophobicContact CD1-CD1 4.15Å; L14-I113 HydrophobicContact CD1-CG1 3.8Å; L14-I113 HydrophobicContact CD2-CD1 3.86Å; L14-I113 HydrophobicContact CD2-CG1 3.87Å; L14-I113 HydrophobicContact CG-CD1 4.45Å; L14-I113 HydrophobicContact CG-CG1 4.44Å; A19-I113 HydrophobicContact CB-CD1 4.08Å; L20-I113 PolarHBondContact O-N 2.95Å; L21-I113 WeakPolarHBondContact CA-O 3.36Å; L21-I113 HydrophobicContact CD1-CB 3.97Å; L21-I113 HydrophobicContact CD1-CG2 3.74Å; L22-I113 PolarHBondContact N-O 2.91Å; L47-I113 HydrophobicContact CD2-CG2 4.38Å; I113-H138 WeakPolarHBondContact CA-O 3.35Å; I113-V140 HydrophobicContact CG2-CG2 3.54Å; I113-V172 HydrophobicContact CD1-CG1 3.75Å; I113-V172 HydrophobicContact CG1-CG1 4.18Å; I113-V172 HydrophobicContact CG2-CG1 4.03Å; I113-V172 HydrophobicContact CG2-CG2 4.34Å; I113-L176 HydrophobicContact CD1-CD1 4.17Å
114L98.9Very high97.9Very high0 Ų038.8 Ų38.80%019%0.186CC..EExtended strand (participates in β ladder)trans-118.1126.6-177.3-176.963000110.4L22 C24 M92 V112 I123 T126 V127 H138 L139 V140L22-L114 HydrophobicContact CB-CD1 3.71Å; C24-L114 HydrophobicContact CB-CD1 4.36Å; M92-L114 HydrophobicContact SD-CD1 3.97Å; V112-L114 HydrophobicContact CG1-CB 4.3Å; L114-I123 HydrophobicContact CD1-CD1 4.06Å; L114-I123 HydrophobicContact CD2-CD1 4.06Å; L114-I123 HydrophobicContact CD2-CG2 4.12Å; L114-I123 HydrophobicContact CG-CD1 3.83Å; L114-T126 HydrophobicContact CD1-CG2 4.27Å; L114-T126 HydrophobicContact CD2-CG2 4.07Å; L114-V127 HydrophobicContact CD2-CG2 3.48Å; L114-V127 VanDerWaalsContact CD2-CG2 3.48Å; L114-H138 PolarHBondContact N-O 2.7Å; L114-L139 HydrophobicContact CB-CD1 4.28Å; L114-L139 HydrophobicContact CD2-CD1 4.16Å; L114-L139 HydrophobicContact CG-CD1 4.21Å; L114-V140 PolarHBondContact O-N 3.24Å
115C98.9Very high97.9Very high0 Ų034.7 Ų34.70%017%0.169CC..EExtended strand (participates in β ladder)trans-134.6163.7168.370.60000110.5L22 C24 L47 V140 G143L22-C115 PolarHBondContact O-N 3.23Å; L22-C115 VanDerWaalsContact O-N 3.13Å; C24-C115 WeakPolarHBondContact CB-O 3.47Å; C24-C115 PolarHBondContact N-O 2.97Å; L47-C115 HydrophobicContact CD1-CB 3.73Å; C115-V140 HydrophobicContact CB-CB 4.39Å; C115-G143 WeakPolarHBondContact CB-O 3.22Å
116G98.9Very high98Very high0 Ų030.1 Ų30.10%015%0.148CC..EExtended strand (participates in β ladder)trans127.9-159.3177.500000114.9C24 G143 C144C24-G116 CarbonylContact O-C 3.58Å; C24-G116 VanDerWaalsContact O-CA 3.23Å; C24-G116 WeakPolarHBondContact O-CA 3.38Å; G116-G143 PolarHBondContact N-O 3.5Å; G116-C144 VanDerWaalsContact O-CA 3.25Å; G116-C144 WeakPolarHBondContact O-CA 3.43Å; G116-C144 PolarHBondContact O-SG 3.42Å
117I98.9Very high98Very high1 Ų128.5 Ų28.51%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-138159-172.155.1161.9000111.7C24 D25 M26 F30 I34 F37C24-I117 PolarHBondContact O-N 2.99Å; C24-I117 PolarHBondContact SG-O 3.32Å; D25-I117 WeakPolarHBondContact O-CD1 3.19Å; D25-I117 WeakPolarHBondContact O-CG1 3.44Å; M26-I117 HydrophobicContact SD-CG1 4.11Å; M26-I117 HydrophobicContact SD-CG2 4.2Å; F30-I117 HydrophobicContact CB-CD1 3.43Å; F30-I117 VanDerWaalsContact CB-CD1 3.43Å; F30-I117 HydrophobicContact CD1-CD1 3.96Å; F30-I117 HydrophobicContact CD2-CD1 3.45Å; F30-I117 VanDerWaalsContact CD2-CD1 3.45Å; F30-I117 HydrophobicContact CE2-CD1 4.12Å; F30-I117 HydrophobicContact CG-CD1 3.34Å; I34-I117 HydrophobicContact CD1-CB 4.38Å; I34-I117 HydrophobicContact CD1-CD1 4.33Å; I34-I117 HydrophobicContact CD1-CG2 4.33Å; I34-I117 HydrophobicContact CG1-CD1 3.94Å; I34-I117 HydrophobicContact CG1-CG2 4.34Å; I34-I117 HydrophobicContact CG2-CG2 4.04Å; F37-I117 HydrophobicContact CD2-CD1 4.47Å; F37-I117 HydrophobicContact CE2-CD1 3.85Å
118E98.7Very high98.2Very high27 Ų2727.3 Ų27.313%0.12613%0.131CC..  cis-86.2140.8-15.1-59.7-167.486.600110.7F30 I34 H120 V121 C122 I123 S145 R147F30-E118 HydrophobicContact CE1-CG 4.47Å; I34-E118 HydrophobicContact CD1-CG 3.79Å; I34-E118 WeakPolarHBondContact CD1-OE1 3.43Å; E118-H120 PolarHBondContact O-N 2.86Å; E118-H120 VanDerWaalsContact O-N 3.14Å; E118-H120 IonicContact OE1-CE1 3.91Å; E118-H120 PolarHBondContact OE1-CE1 3.21Å; E118-H120 IonicContact OE2-CE1 3.64Å; E118-V121 HydrophobicContact CB-CB 4.31Å; E118-V121 HydrophobicContact CB-CG2 4.39Å; E118-V121 CarbonylContact O-C 3.57Å; E118-V121 PolarHBondContact O-N 3.12Å; E118-C122 PolarHBondContact O-N 3.07Å; E118-I123 WeakPolarHBondContact O-CB 3.21Å; E118-I123 PolarHBondContact O-N 3.43Å; E118-I123 VanDerWaalsContact O-N 3.09Å; E118-S145 CarbonylContact C-O 3.59Å; E118-S145 WeakPolarHBondContact CA-O 3.49Å; E118-R147 VanDerWaalsContact OE1-CG 3.22Å; E118-R147 WeakPolarHBondContact OE1-CG 3.44Å; E118-R147 PolarHBondContact OE1-N 3.37Å
119A98.8Very high98.3Very high0 Ų022.7 Ų22.70%011%0.106CC..Iπ-helixtrans-51.3-40.2-177.900000112.7Y124 S145 S146 R152 A155 F156A119-Y124 WeakPolarHBondContact O-CB 3.3Å; A119-Y124 PolarHBondContact O-N 3.43Å; A119-S145 WeakPolarHBondContact CB-O 3.23Å; A119-S145 PolarHBondContact N-O 3.39Å; A119-S146 VanDerWaalsContact CB-OG 3.3Å; A119-S146 WeakPolarHBondContact CB-OG 3.3Å; A119-S146 PolarHBondContact N-OG 3.41Å; A119-R152 HydrophobicContact CB-CG 4.13Å; A119-A155 HydrophobicContact CB-CB 4.36Å; A119-A155 WeakPolarHBondContact O-CB 3.22Å; A119-F156 HydrophobicContact CB-CD1 4.49Å; A119-F156 HydrophobicContact CB-CE1 3.78Å; A119-F156 HydrophobicContact CB-CZ 4.16Å
120H98.7Very high98.4Very high58 Ų5820.6 Ų20.627%0.26910%0.099SC..Iπ-helixtrans-90.3-4.7-177.169.4-72.8000115E118 S146 D151 A155E118-H120 PolarHBondContact O-N 2.86Å; E118-H120 VanDerWaalsContact O-N 3.14Å; E118-H120 IonicContact OE1-CE1 3.91Å; E118-H120 PolarHBondContact OE1-CE1 3.21Å; E118-H120 IonicContact OE2-CE1 3.64Å; H120-S146 VanDerWaalsContact ND1-CB 3.35Å; H120-S146 WeakPolarHBondContact ND1-CB 3.24Å; H120-S146 PolarHBondContact ND1-OG 2.99Å; H120-D151 HydrophobicContact CB-CB 3.93Å; H120-A155 HydrophobicContact CB-CB 3.92Å
121V98.7Very high98.5Very high32 Ų3218.1 Ų18.119%0.1949%0.089CC..Iπ-helixtrans-123.4-89.4-177.9-173.40000110F90 E118 I123 Y124 Q125F90-V121 HydrophobicContact CB-CG1 3.97Å; F90-V121 HydrophobicContact CD1-CG1 3.55Å; F90-V121 HydrophobicContact CD2-CG1 4.05Å; F90-V121 HydrophobicContact CE1-CG1 4Å; F90-V121 HydrophobicContact CE2-CG1 4.44Å; F90-V121 HydrophobicContact CG-CG1 3.59Å; F90-V121 HydrophobicContact CZ-CG1 4.42Å; E118-V121 HydrophobicContact CB-CB 4.31Å; E118-V121 HydrophobicContact CB-CG2 4.39Å; E118-V121 CarbonylContact O-C 3.57Å; E118-V121 PolarHBondContact O-N 3.12Å; V121-I123 PolarHBondContact O-N 3.4Å; V121-Y124 PolarHBondContact O-N 2.98Å; V121-Q125 VanDerWaalsContact O-CG 3.29Å; V121-Q125 WeakPolarHBondContact O-CG 3.3Å; V121-Q125 PolarHBondContact O-N 3.33Å
122C98.8Very high98.4Very high10 Ų1025.1 Ų25.17%0.06812%0.122CC..Iπ-helixtrans-66.2-43.7-172.3-59.80000111.6C24 D25 F90 E118 T126C24-C122 WeakPolarHBondContact SG-CB 3.5Å; D25-C122 WeakPolarHBondContact OD2-CB 3.45Å; D25-C122 PolarHBondContact OD2-SG 3.46Å; F90-C122 VanDerWaalsContact O-CA 3.3Å; F90-C122 WeakPolarHBondContact O-CA 3.35Å; F90-C122 VanDerWaalsContact O-CB 3.24Å; F90-C122 WeakPolarHBondContact O-CB 3.49Å; F90-C122 PolarHBondContact O-SG 2.91Å; E118-C122 PolarHBondContact O-N 3.07Å; C122-T126 WeakPolarHBondContact O-CB 3.45Å; C122-T126 PolarHBondContact O-N 3.47Å; C122-T126 PolarHBondContact O-OG1 3.19Å
123I98.9Very high98.3Very high0 Ų029 Ų290%014%0.139CC..Iπ-helixtrans-61.2-50.5174.3-65.1-68.8000109.9C24 L114 E118 V121 Q125 T126 V127 L139 L159C24-I123 HydrophobicContact CB-CD1 3.6Å; L114-I123 HydrophobicContact CD1-CD1 4.06Å; L114-I123 HydrophobicContact CD2-CD1 4.06Å; L114-I123 HydrophobicContact CD2-CG2 4.12Å; L114-I123 HydrophobicContact CG-CD1 3.83Å; E118-I123 WeakPolarHBondContact O-CB 3.21Å; E118-I123 PolarHBondContact O-N 3.43Å; E118-I123 VanDerWaalsContact O-N 3.09Å; V121-I123 PolarHBondContact O-N 3.4Å; I123-Q125 PolarHBondContact O-N 3.32Å; I123-T126 PolarHBondContact O-N 3.3Å; I123-V127 HydrophobicContact CG2-CG2 4.34Å; I123-V127 WeakPolarHBondContact O-CG2 3.33Å; I123-V127 PolarHBondContact O-N 2.99Å; I123-L139 HydrophobicContact CG2-CD1 3.57Å; I123-L139 HydrophobicContact CG2-CD2 4.33Å; I123-L159 HydrophobicContact CG2-CD1 4.19Å
124Y98.9Very high98.1Very high53 Ų5335 Ų3521%0.20817%0.171CC..Hα-helixtrans-54.9-53.3-177.6-169.4-83.4000112.3A119 V121 T126 V127 L128 A155 A158 L159 F162A119-Y124 WeakPolarHBondContact O-CB 3.3Å; A119-Y124 PolarHBondContact O-N 3.43Å; V121-Y124 PolarHBondContact O-N 2.98Å; Y124-T126 VanDerWaalsContact C-N 3.33Å; Y124-T126 PolarHBondContact O-N 2.89Å; Y124-V127 PolarHBondContact O-N 3.14Å; Y124-L128 HydrophobicContact CD1-CD1 4.01Å; Y124-L128 HydrophobicContact CD1-CG 4.33Å; Y124-L128 HydrophobicContact CE1-CD1 3.69Å; Y124-L128 HydrophobicContact CE1-CG 4.24Å; Y124-L128 PolarHBondContact O-N 3.48Å; Y124-A155 HydrophobicContact CD2-CB 4.15Å; Y124-A158 HydrophobicContact CE2-CB 3.78Å; Y124-L159 HydrophobicContact CD2-CD1 4.27Å; Y124-L159 HydrophobicContact CD2-CD2 3.7Å; Y124-L159 HydrophobicContact CD2-CG 3.88Å; Y124-L159 HydrophobicContact CE2-CD2 4.02Å; Y124-L159 HydrophobicContact CE2-CG 4.29Å; Y124-L159 HydrophobicContact CG-CD2 4.03Å; Y124-F162 HydrophobicContact CE2-CE2 4.49Å; Y124-F162 AromaticContact CZ-CE2 3.9Å; Y124-F162 WeakPolarHBondContact OH-CE2 3.49Å
125Q98.7Very high98Very high76 Ų7635.8 Ų35.836%0.35518%0.175SC..Hα-helixtrans-65.4-37.9-179.7-61-60.4-34.800111.6F90 V121 I123 V127 L128 D129F90-Q125 HydrophobicContact CB-CB 4.44Å; F90-Q125 HydrophobicContact CB-CG 4.17Å; V121-Q125 VanDerWaalsContact O-CG 3.29Å; V121-Q125 WeakPolarHBondContact O-CG 3.3Å; V121-Q125 PolarHBondContact O-N 3.33Å; I123-Q125 PolarHBondContact O-N 3.32Å; Q125-V127 PolarHBondContact O-N 3.41Å; Q125-L128 PolarHBondContact O-N 2.65Å; Q125-D129 PolarHBondContact O-N 3.17Å; Q125-D129 VanDerWaalsContact O-N 3.14Å
126T98.8Very high97.8Very high0 Ų037.7 Ų37.70%018%0.184CC..Hα-helixtrans-62.2-42.2176-59.40000112S91 M92 L93 L114 C122 I123 Y124 D129 L130S91-T126 WeakPolarHBondContact CA-OG1 3.49Å; M92-T126 HydrophobicContact CB-CG2 3.87Å; M92-T126 HydrophobicContact CG-CG2 4Å; M92-T126 PolarHBondContact N-OG1 3.46Å; M92-T126 HydrophobicContact SD-CG2 4.14Å; L93-T126 HydrophobicContact CD1-CG2 3.82Å; L114-T126 HydrophobicContact CD1-CG2 4.27Å; L114-T126 HydrophobicContact CD2-CG2 4.07Å; C122-T126 WeakPolarHBondContact O-CB 3.45Å; C122-T126 PolarHBondContact O-N 3.47Å; C122-T126 PolarHBondContact O-OG1 3.19Å; I123-T126 PolarHBondContact O-N 3.3Å; Y124-T126 VanDerWaalsContact C-N 3.33Å; Y124-T126 PolarHBondContact O-N 2.89Å; T126-D129 PolarHBondContact O-N 3.09Å; T126-L130 HydrophobicContact CG2-CD1 3.84Å; T126-L130 HydrophobicContact CG2-CG 4.36Å; T126-L130 WeakPolarHBondContact O-CB 3.31Å; T126-L130 VanDerWaalsContact O-CG 3.23Å; T126-L130 WeakPolarHBondContact O-CG 3.23Å; T126-L130 PolarHBondContact O-N 3.18Å
127V98.7Very high97.8Very high0 Ų037.7 Ų37.70%019%0.185CC..Hα-helixtrans-64.6-41.1178.1173.80000111.1L114 I123 Y124 Q125 L130 L131 V137 L159 A164L114-V127 HydrophobicContact CD2-CG2 3.48Å; L114-V127 VanDerWaalsContact CD2-CG2 3.48Å; I123-V127 HydrophobicContact CG2-CG2 4.34Å; I123-V127 WeakPolarHBondContact O-CG2 3.33Å; I123-V127 PolarHBondContact O-N 2.99Å; Y124-V127 PolarHBondContact O-N 3.14Å; Q125-V127 PolarHBondContact O-N 3.41Å; V127-L130 PolarHBondContact O-N 2.96Å; V127-L131 HydrophobicContact CG1-CD1 3.7Å; V127-L131 HydrophobicContact CG1-CG 4.12Å; V127-L131 WeakPolarHBondContact O-CB 3.49Å; V127-L131 WeakPolarHBondContact O-CG 3.38Å; V127-L131 PolarHBondContact O-N 3.02Å; V127-V137 HydrophobicContact CG1-CG1 4.2Å; V127-V137 HydrophobicContact CG2-CG1 3.96Å; V127-L159 HydrophobicContact CB-CD1 4.27Å; V127-L159 HydrophobicContact CB-CD2 3.75Å; V127-L159 HydrophobicContact CG1-CB 4.4Å; V127-L159 HydrophobicContact CG1-CD2 3.73Å; V127-L159 HydrophobicContact CG1-CG 4.42Å; V127-L159 HydrophobicContact CG2-CD1 4.03Å; V127-L159 HydrophobicContact CG2-CD2 4.43Å; V127-A164 HydrophobicContact CG1-CB 3.77Å
128L98.3Very high97.7Very high39 Ų3938.4 Ų38.420%0.20419%0.188CC..Hα-helixtrans-58.3-53176.1-65.8-174.9000111.4Y124 Q125 L130 L131 E132 F162Y124-L128 HydrophobicContact CD1-CD1 4.01Å; Y124-L128 HydrophobicContact CD1-CG 4.33Å; Y124-L128 HydrophobicContact CE1-CD1 3.69Å; Y124-L128 HydrophobicContact CE1-CG 4.24Å; Y124-L128 PolarHBondContact O-N 3.48Å; Q125-L128 PolarHBondContact O-N 2.65Å; L128-L130 VanDerWaalsContact C-N 3.29Å; L128-L130 PolarHBondContact O-N 2.77Å; L128-L131 PolarHBondContact O-N 3.21Å; L128-L131 VanDerWaalsContact O-N 3.16Å; L128-E132 WeakPolarHBondContact O-CG 3.35Å; L128-E132 PolarHBondContact O-N 3.18Å; L128-F162 HydrophobicContact CD2-CD2 3.41Å; L128-F162 VanDerWaalsContact CD2-CD2 3.41Å; L128-F162 HydrophobicContact CD2-CE2 3.73Å; L128-F162 HydrophobicContact CD2-CG 4.15Å
129D98Very high97.7Very high41 Ų4137.1 Ų37.122%0.21918%0.182CC..Hα-helixtrans-59.9-39.9-179.6-71.6-8.9000112.3S91 L93 Q125 T126 K133S91-D129 WeakPolarHBondContact CB-OD2 3.38Å; S91-D129 PolarHBondContact OG-OD2 3.47Å; L93-D129 HydrophobicContact CB-CB 3.99Å; L93-D129 HydrophobicContact CD2-CB 4.42Å; Q125-D129 PolarHBondContact O-N 3.17Å; Q125-D129 VanDerWaalsContact O-N 3.14Å; T126-D129 PolarHBondContact O-N 3.09Å; D129-K133 WeakPolarHBondContact O-CB 3.36Å; D129-K133 WeakPolarHBondContact O-CG 3.11Å; D129-K133 PolarHBondContact O-N 3.21Å
130L97.4Very high97.7Very high1 Ų137.1 Ų37.11%0.00518%0.182CC..Hα-helixtrans-63.8-45.2176.9-77.2170.3000111.9L22 L93 V112 T126 V127 L128 K133 N134 F135 V137L22-L130 HydrophobicContact CD1-CD1 4.29Å; L93-L130 HydrophobicContact CD1-CD1 4.41Å; L93-L130 HydrophobicContact CD1-CD2 3.77Å; L93-L130 HydrophobicContact CD1-CG 3.75Å; L93-L130 HydrophobicContact CD2-CD2 3.8Å; L93-L130 HydrophobicContact CD2-CG 4.27Å; L93-L130 HydrophobicContact CG-CD2 4.45Å; V112-L130 HydrophobicContact CB-CD1 4.16Å; V112-L130 HydrophobicContact CB-CD2 4.5Å; V112-L130 HydrophobicContact CG1-CD1 3.77Å; V112-L130 HydrophobicContact CG2-CD1 4.37Å; V112-L130 HydrophobicContact CG2-CD2 3.85Å; T126-L130 HydrophobicContact CG2-CD1 3.84Å; T126-L130 HydrophobicContact CG2-CG 4.36Å; T126-L130 WeakPolarHBondContact O-CB 3.31Å; T126-L130 VanDerWaalsContact O-CG 3.23Å; T126-L130 WeakPolarHBondContact O-CG 3.23Å; T126-L130 PolarHBondContact O-N 3.18Å; V127-L130 PolarHBondContact O-N 2.96Å; L128-L130 VanDerWaalsContact C-N 3.29Å; L128-L130 PolarHBondContact O-N 2.77Å; L130-K133 CarbonylContact O-C 3.25Å; L130-K133 PolarHBondContact O-N 3.03Å; L130-N134 PolarHBondContact O-N 2.87Å; L130-F135 HydrophobicContact CB-CB 4.2Å; L130-F135 HydrophobicContact CD2-CB 4.11Å; L130-F135 HydrophobicContact CD2-CD1 4.43Å; L130-F135 HydrophobicContact CD2-CD2 3.69Å; L130-F135 HydrophobicContact CD2-CE2 4.16Å; L130-F135 HydrophobicContact CD2-CG 3.84Å; L130-F135 WeakPolarHBondContact O-CB 3.19Å; L130-F135 PolarHBondContact O-N 2.92Å; L130-V137 HydrophobicContact CB-CG2 3.54Å; L130-V137 HydrophobicContact CD1-CG1 4.42Å; L130-V137 HydrophobicContact CD1-CG2 4.04Å; L130-V137 HydrophobicContact CG-CG2 4.41Å
131L96.6Very high97.7Very high38 Ų3835.2 Ų35.220%0.19918%0.175CC..Hα-helixtrans-66.4-41.3178.7-69.6173.7000111.3V127 L128 K133 N134 V137 F162V127-L131 HydrophobicContact CG1-CD1 3.7Å; V127-L131 HydrophobicContact CG1-CG 4.12Å; V127-L131 WeakPolarHBondContact O-CB 3.49Å; V127-L131 WeakPolarHBondContact O-CG 3.38Å; V127-L131 PolarHBondContact O-N 3.02Å; L128-L131 PolarHBondContact O-N 3.21Å; L128-L131 VanDerWaalsContact O-N 3.16Å; L131-K133 PolarHBondContact O-N 3.14Å; L131-N134 WeakPolarHBondContact O-CA 3.36Å; L131-N134 PolarHBondContact O-N 2.78Å; L131-V137 HydrophobicContact CD2-CB 4.35Å; L131-V137 HydrophobicContact CD2-CG2 3.89Å; L131-V137 HydrophobicContact CG-CG2 4.09Å; L131-F162 HydrophobicContact CD1-CB 3.89Å
132E96.7Very high97.7Very high148 Ų14834.3 Ų34.369%0.69217%0.169SC*.Hα-helixtrans-60.1-33.1173.8-73-179.2-17900112L128 N134L128-E132 WeakPolarHBondContact O-CG 3.35Å; L128-E132 PolarHBondContact O-N 3.18Å; E132-N134 VanDerWaalsContact C-N 3.27Å; E132-N134 PolarHBondContact O-N 3.09Å
133K95.6Very high97.6Very high81 Ų8133.9 Ų33.935%0.35217%0.165SC..THydrogen-bonded Turntrans-84.79.6173.3-74.6171.9168.3165.60114.5L93 D99 D129 L130 L131 F135L93-K133 HydrophobicContact CD2-CD 3.76Å; D99-K133 IonicContact OD1-NZ 2.65Å; D99-K133 PolarHBondContact OD1-NZ 2.62Å; D99-K133 IonicContact OD2-NZ 2.79Å; D99-K133 PolarHBondContact OD2-NZ 2.89Å; D129-K133 WeakPolarHBondContact O-CB 3.36Å; D129-K133 WeakPolarHBondContact O-CG 3.11Å; D129-K133 PolarHBondContact O-N 3.21Å; L130-K133 CarbonylContact O-C 3.25Å; L130-K133 PolarHBondContact O-N 3.03Å; L131-K133 PolarHBondContact O-N 3.14Å; K133-F135 VanDerWaalsContact C-N 3.32Å; K133-F135 HydrophobicContact CB-CD2 3.77Å; K133-F135 HydrophobicContact CB-CE2 3.86Å; K133-F135 PolarHBondContact O-N 2.93Å
134N94.3Very high97.6Very high130 Ų13033.9 Ų33.970%0.69517%0.165SC*.THydrogen-bonded Turntrans60.233.1178.4-57.4-78.9000114.6L130 L131 E132L130-N134 PolarHBondContact O-N 2.87Å; L131-N134 WeakPolarHBondContact O-CA 3.36Å; L131-N134 PolarHBondContact O-N 2.78Å; E132-N134 VanDerWaalsContact C-N 3.27Å; E132-N134 PolarHBondContact O-N 3.09Å
135F96.1Very high97.6Very high17 Ų1731.3 Ų31.38%0.07516%0.155CC..  trans-79.2145.2164.6-71.7-92.9000110.7I102 R109 K110 V112 L130 K133 V137I102-F135 HydrophobicContact CG2-CZ 4.29Å; R109-F135 VanDerWaalsContact O-CE1 3.24Å; R109-F135 WeakPolarHBondContact O-CE1 3.48Å; K110-F135 HydrophobicContact CD-CE1 4.37Å; K110-F135 CarbonylContact O-C 3.41Å; K110-F135 WeakPolarHBondContact O-CA 3.33Å; V112-F135 HydrophobicContact CG2-CB 4.38Å; V112-F135 HydrophobicContact CG2-CD1 3.74Å; V112-F135 HydrophobicContact CG2-CE1 4.29Å; V112-F135 HydrophobicContact CG2-CG 4.24Å; L130-F135 HydrophobicContact CB-CB 4.2Å; L130-F135 HydrophobicContact CD2-CB 4.11Å; L130-F135 HydrophobicContact CD2-CD1 4.43Å; L130-F135 HydrophobicContact CD2-CD2 3.69Å; L130-F135 HydrophobicContact CD2-CE2 4.16Å; L130-F135 HydrophobicContact CD2-CG 3.84Å; L130-F135 WeakPolarHBondContact O-CB 3.19Å; L130-F135 PolarHBondContact O-N 2.92Å; K133-F135 VanDerWaalsContact C-N 3.32Å; K133-F135 HydrophobicContact CB-CD2 3.77Å; K133-F135 HydrophobicContact CB-CE2 3.86Å; K133-F135 PolarHBondContact O-N 2.93Å; F135-V137 HydrophobicContact CB-CG2 4.48Å; F135-V137 PolarHBondContact O-N 3.47Å
136D96Very high97.6Very high39 Ų3927.7 Ų27.721%0.20914%0.139CC..EExtended strand (participates in β ladder)trans-80.8113.2165.8-54.5-68.3000108.3R12 K110 S111 V112R12-D136 WeakPolarHBondContact CB-OD2 3.46Å; R12-D136 WeakPolarHBondContact CD-OD2 3.31Å; R12-D136 IonicContact NH1-OD2 3.52Å; K110-D136 PolarHBondContact O-N 3.48Å; S111-D136 CarbonylContact C-O 3.58Å; S111-D136 VanDerWaalsContact CA-O 3.31Å; S111-D136 WeakPolarHBondContact CA-O 2.89Å; V112-D136 PolarHBondContact N-O 3.44Å
137V97.5Very high97.6Very high1 Ų135.7 Ų35.71%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-100.8117.2-174.2-173.80000110.8V127 L130 L131 F135 A164 I165V127-V137 HydrophobicContact CG1-CG1 4.2Å; V127-V137 HydrophobicContact CG2-CG1 3.96Å; L130-V137 HydrophobicContact CB-CG2 3.54Å; L130-V137 HydrophobicContact CD1-CG1 4.42Å; L130-V137 HydrophobicContact CD1-CG2 4.04Å; L130-V137 HydrophobicContact CG-CG2 4.41Å; L131-V137 HydrophobicContact CD2-CB 4.35Å; L131-V137 HydrophobicContact CD2-CG2 3.89Å; L131-V137 HydrophobicContact CG-CG2 4.09Å; F135-V137 HydrophobicContact CB-CG2 4.48Å; F135-V137 PolarHBondContact O-N 3.47Å; V137-A164 HydrophobicContact CB-CB 4.4Å; V137-A164 HydrophobicContact CG1-CB 4.48Å; V137-I165 PolarHBondContact O-N 2.98Å
138H98.1Very high97.5Very high15 Ų1537.5 Ų37.57%0.06918%0.181CC..EExtended strand (participates in β ladder)trans-100.296.1172.1-63.4-93.2000109V112 I113 L114 I165 T167V112-H138 PolarHBondContact O-N 3.01Å; I113-H138 WeakPolarHBondContact CA-O 3.35Å; L114-H138 PolarHBondContact N-O 2.7Å; H138-I165 CarbonylContact C-O 3.45Å; H138-I165 WeakPolarHBondContact CA-O 3.25Å; H138-T167 HydrophobicContact CB-CG2 4.04Å
139L98.5Very high97.4Very high0 Ų038.8 Ų38.80%019%0.186CC..EExtended strand (participates in β ladder)trans-84115.7180-177.461.9000110L114 I123 V141 F156 L159 I165 L166 T167L114-L139 HydrophobicContact CB-CD1 4.28Å; L114-L139 HydrophobicContact CD2-CD1 4.16Å; L114-L139 HydrophobicContact CG-CD1 4.21Å; I123-L139 HydrophobicContact CG2-CD1 3.57Å; I123-L139 HydrophobicContact CG2-CD2 4.33Å; L139-V141 PolarHBondContact O-N 2.88Å; L139-F156 HydrophobicContact CD2-CD1 3.68Å; L139-F156 HydrophobicContact CD2-CE1 3.91Å; L139-F156 HydrophobicContact CG-CE1 4.49Å; L139-L159 HydrophobicContact CD2-CB 4.42Å; L139-L159 HydrophobicContact CD2-CD1 3.64Å; L139-I165 PolarHBondContact N-O 2.97Å; L139-L166 HydrophobicContact CB-CD2 4.08Å; L139-L166 HydrophobicContact CD2-CD2 3.77Å; L139-L166 HydrophobicContact CG-CD2 4.3Å; L139-T167 PolarHBondContact O-N 3.38Å
140V98.6Very high97.3Very high0 Ų043.2 Ų43.20%021%0.205CC..EExtended strand (participates in β ladder)trans-85.193.7-176.6-171.30000109.5V43 L47 I113 L114 C115 D142 G143 C144 T167 N169 V172V43-V140 HydrophobicContact CG1-CG1 4.32Å; L47-V140 HydrophobicContact CD1-CB 4.13Å; L47-V140 HydrophobicContact CD1-CG1 3.9Å; L47-V140 HydrophobicContact CD1-CG2 4.05Å; L47-V140 HydrophobicContact CD2-CG2 4.38Å; I113-V140 HydrophobicContact CG2-CG2 3.54Å; L114-V140 PolarHBondContact O-N 3.24Å; C115-V140 HydrophobicContact CB-CB 4.39Å; V140-D142 VanDerWaalsContact C-N 3.33Å; V140-D142 WeakPolarHBondContact CG1-OD1 3.09Å; V140-D142 PolarHBondContact O-N 3.4Å; V140-G143 CarbonylContact O-C 3.57Å; V140-G143 VanDerWaalsContact O-C 3.29Å; V140-G143 VanDerWaalsContact O-CA 3.29Å; V140-G143 WeakPolarHBondContact O-CA 3.48Å; V140-G143 PolarHBondContact O-N 2.93Å; V140-C144 PolarHBondContact O-N 2.9Å; V140-C144 VanDerWaalsContact O-N 3.15Å; V140-T167 CarbonylContact C-O 3.57Å; V140-T167 WeakPolarHBondContact CA-O 3.45Å; V140-T167 HydrophobicContact CG2-CG2 4.28Å; V140-N169 HydrophobicContact CG1-CB 4.05Å; V140-V172 HydrophobicContact CG2-CG2 4.04Å
141V98.4Very high97.4Very high19 Ų1946.6 Ų46.612%0.11522%0.223CC..EExtended strand (participates in β ladder)trans-67.5-31.3-166.2-63.90000113.7L139 G143 C144 R152 F156 L166 T167 T168 L201L139-V141 PolarHBondContact O-N 2.88Å; V141-G143 PolarHBondContact O-N 3.1Å; V141-C144 PolarHBondContact O-N 2.88Å; V141-C144 VanDerWaalsContact O-O 3.06Å; V141-R152 PolarHBondContact O-NH2 3.04Å; V141-F156 HydrophobicContact CB-CD2 4.31Å; V141-F156 HydrophobicContact CB-CE2 3.93Å; V141-F156 HydrophobicContact CB-CZ 4.12Å; V141-F156 HydrophobicContact CG1-CD1 4.33Å; V141-F156 HydrophobicContact CG1-CD2 4.14Å; V141-F156 HydrophobicContact CG1-CE1 4.36Å; V141-F156 HydrophobicContact CG1-CE2 4.17Å; V141-F156 HydrophobicContact CG1-CG 4.22Å; V141-F156 HydrophobicContact CG1-CZ 4.28Å; V141-L166 HydrophobicContact CG1-CB 3.9Å; V141-L166 HydrophobicContact CG1-CD1 4.33Å; V141-L166 HydrophobicContact CG1-CD2 3.9Å; V141-L166 HydrophobicContact CG1-CG 4.25Å; V141-T167 WeakPolarHBondContact CG2-O 3.29Å; V141-T167 PolarHBondContact N-O 2.63Å; V141-T168 HydrophobicContact CG2-CG2 4.42Å; V141-L201 HydrophobicContact CB-CD1 4.15Å; V141-L201 HydrophobicContact CG2-CD1 3.79Å
142D98Very high97.5Very high13 Ų1344.8 Ų44.87%0.0721%0.214CC..EExtended strand (participates in β ladder)trans-76.6-10.8171.758.2-18.2000112.6I40 V43 V140 T168 N169 T196 L201I40-D142 VanDerWaalsContact CD1-O 3.28Å; I40-D142 WeakPolarHBondContact CD1-O 3.29Å; V43-D142 HydrophobicContact CG2-CB 4.49Å; V43-D142 WeakPolarHBondContact CG2-O 3.33Å; V140-D142 VanDerWaalsContact C-N 3.33Å; V140-D142 WeakPolarHBondContact CG1-OD1 3.09Å; V140-D142 PolarHBondContact O-N 3.4Å; D142-T168 VanDerWaalsContact OD1-CA 3.28Å; D142-T168 WeakPolarHBondContact OD1-CA 3.29Å; D142-N169 PolarHBondContact OD1-N 3.15Å; D142-N169 PolarHBondContact OD2-N 2.92Å; D142-N169 PolarHBondContact OD2-ND2 3.3Å; D142-T196 HydrophobicContact CB-CG2 4.36Å; D142-L201 HydrophobicContact CB-CD1 4.2Å
143G98.4Very high97.5Very high0 Ų041.5 Ų41.50%020%0.201CC..EExtended strand (participates in β ladder)trans-105.210.8170.800000113.9I40 V43 C115 G116 V140 V141I40-G143 WeakPolarHBondContact CG2-O 3.47Å; V43-G143 VanDerWaalsContact CG1-CA 3.43Å; C115-G143 WeakPolarHBondContact CB-O 3.22Å; G116-G143 PolarHBondContact N-O 3.5Å; V140-G143 CarbonylContact O-C 3.57Å; V140-G143 VanDerWaalsContact O-C 3.29Å; V140-G143 VanDerWaalsContact O-CA 3.29Å; V140-G143 WeakPolarHBondContact O-CA 3.48Å; V140-G143 PolarHBondContact O-N 2.93Å; V141-G143 PolarHBondContact O-N 3.1Å
144C98.8Very high97.7Very high0 Ų043.5 Ų43.50%021%0.21CC..EExtended strand (participates in β ladder)trans-130140.9178.6-77.10000111.7G116 V140 V141 R152 F156G116-C144 VanDerWaalsContact O-CA 3.25Å; G116-C144 WeakPolarHBondContact O-CA 3.43Å; G116-C144 PolarHBondContact O-SG 3.42Å; V140-C144 PolarHBondContact O-N 2.9Å; V140-C144 VanDerWaalsContact O-N 3.15Å; V141-C144 PolarHBondContact O-N 2.88Å; V141-C144 VanDerWaalsContact O-O 3.06Å; C144-R152 PolarHBondContact O-NE 3.21Å; C144-R152 PolarHBondContact O-NH2 3.14Å; C144-F156 HydrophobicContact CB-CE1 3.79Å; C144-F156 HydrophobicContact CB-CZ 3.68Å
145S98.7Very high97.9Very high0 Ų037.5 Ų37.50%018%0.178CC..EExtended strand (participates in β ladder)trans-150.9178.7177.2-1680000113C35 E118 A119C35-S145 WeakPolarHBondContact O-CB 3.44Å; C35-S145 PolarHBondContact O-OG 2.9Å; E118-S145 CarbonylContact C-O 3.59Å; E118-S145 WeakPolarHBondContact CA-O 3.49Å; A119-S145 WeakPolarHBondContact CB-O 3.23Å; A119-S145 PolarHBondContact N-O 3.39Å
146S98.7Very high98Very high0 Ų037.3 Ų37.30%018%0.177CC..  trans-143.6173.7176.6-65.90000109.5C35 A119 H120 S148C35-S146 PolarHBondContact N-O 3.23Å; A119-S146 VanDerWaalsContact CB-OG 3.3Å; A119-S146 WeakPolarHBondContact CB-OG 3.3Å; A119-S146 PolarHBondContact N-OG 3.41Å; H120-S146 VanDerWaalsContact ND1-CB 3.35Å; H120-S146 WeakPolarHBondContact ND1-CB 3.24Å; H120-S146 PolarHBondContact ND1-OG 2.99Å; S146-S148 VanDerWaalsContact C-N 3.25Å; S146-S148 PolarHBondContact O-N 3Å
147R98Very high98.1Very high167 Ų16741.7 Ų41.763%0.6319%0.191SC*.SBendtrans-63.1-31.4170.8-69.9169.365.2-170-2.1113.8A33 I34 C35 E118A33-R147 HydrophobicContact CB-CG 4.08Å; A33-R147 VanDerWaalsContact O-CA 3.31Å; A33-R147 WeakPolarHBondContact O-CA 3.45Å; A33-R147 VanDerWaalsContact O-CG 3.29Å; A33-R147 WeakPolarHBondContact O-CG 3.38Å; I34-R147 HydrophobicContact CD1-CG 4.03Å; C35-R147 PolarHBondContact SG-O 3.2Å; E118-R147 VanDerWaalsContact OE1-CG 3.22Å; E118-R147 WeakPolarHBondContact OE1-CG 3.44Å; E118-R147 PolarHBondContact OE1-N 3.37Å
148S97Very high98.1Very high38 Ų3842.8 Ų42.827%0.26620%0.2SC..SBendtrans-120.8139.4179.7172.90000110.4S146 H150 D151 R152S146-S148 VanDerWaalsContact C-N 3.25Å; S146-S148 PolarHBondContact O-N 3Å; S148-H150 VanDerWaalsContact C-N 3.27Å; S148-H150 PolarHBondContact O-N 3.08Å; S148-H150 PolarHBondContact OG-N 3.35Å; S148-D151 VanDerWaalsContact CB-OD2 3.29Å; S148-D151 WeakPolarHBondContact CB-OD2 3.44Å; S148-D151 PolarHBondContact O-N 3.41Å; S148-R152 PolarHBondContact O-N 2.88Å; S148-R152 VanDerWaalsContact O-N 3.09Å
149Q95.4Very high98.2Very high67 Ų6742.1 Ų42.131%0.31320%0.197SC..Hα-helixtrans-68-28.4173.5-66.5-66.5000112.2L153Q149-L153 VanDerWaalsContact O-CB 3.24Å; Q149-L153 WeakPolarHBondContact O-CB 3.16Å; Q149-L153 PolarHBondContact O-N 2.95Å
150H97Very high98.1Very high133 Ų13347.5 Ų47.562%0.61622%0.222SC*.Hα-helixtrans-63.8-49.8174.2-71.787.1000110.6S148 R152 L153 F154S148-H150 VanDerWaalsContact C-N 3.27Å; S148-H150 PolarHBondContact O-N 3.08Å; S148-H150 PolarHBondContact OG-N 3.35Å; H150-R152 VanDerWaalsContact C-N 3.33Å; H150-R152 PolarHBondContact O-N 2.94Å; H150-L153 PolarHBondContact O-N 2.93Å; H150-F154 WeakPolarHBondContact O-CD2 3.47Å; H150-F154 PolarHBondContact O-N 2.82Å
151D98.6Very high98.1Very high72 Ų7257.6 Ų57.639%0.38526%0.26SS..Hα-helixtrans-61.1-44.2179-65.6-32.1000111H120 S148 A155H120-D151 HydrophobicContact CB-CB 3.93Å; S148-D151 VanDerWaalsContact CB-OD2 3.29Å; S148-D151 WeakPolarHBondContact CB-OD2 3.44Å; S148-D151 PolarHBondContact O-N 3.41Å; D151-A155 WeakPolarHBondContact O-CB 3.29Å; D151-A155 PolarHBondContact O-N 2.93Å
152R98.4Very high98Very high1 Ų161.4 Ų61.40%0.00428%0.276CS..Hα-helixtrans-58.6-51.4176.1-172.4-174.3-176.4-167.50.5112.2A119 V141 C144 S148 H150 A155 F156 S199 L201A119-R152 HydrophobicContact CB-CG 4.13Å; V141-R152 PolarHBondContact O-NH2 3.04Å; C144-R152 PolarHBondContact O-NE 3.21Å; C144-R152 PolarHBondContact O-NH2 3.14Å; S148-R152 PolarHBondContact O-N 2.88Å; S148-R152 VanDerWaalsContact O-N 3.09Å; H150-R152 VanDerWaalsContact C-N 3.33Å; H150-R152 PolarHBondContact O-N 2.94Å; R152-A155 PolarHBondContact O-N 2.92Å; R152-F156 HydrophobicContact CG-CD2 4.13Å; R152-F156 HydrophobicContact CG-CE1 4.49Å; R152-F156 HydrophobicContact CG-CE2 3.46Å; R152-F156 VanDerWaalsContact CG-CE2 3.46Å; R152-F156 HydrophobicContact CG-CZ 3.67Å; R152-F156 WeakPolarHBondContact O-CG 3.39Å; R152-F156 PolarHBondContact O-N 3.29Å; R152-F156 VanDerWaalsContact O-N 3.09Å; R152-S199 PolarHBondContact NH1-O 2.91Å; R152-S199 PolarHBondContact NH2-OG 2.71Å; R152-L201 VanDerWaalsContact CZ-CD2 3.48Å
153L97.8Very high97.8Very high79 Ų7962.9 Ų62.941%0.41429%0.294SS..Hα-helixtrans-61.8-49.1-176.9175.663.1000111.8Q149 H150 A155 F156 R157Q149-L153 VanDerWaalsContact O-CB 3.24Å; Q149-L153 WeakPolarHBondContact O-CB 3.16Å; Q149-L153 PolarHBondContact O-N 2.95Å; H150-L153 PolarHBondContact O-N 2.93Å; L153-A155 VanDerWaalsContact C-N 3.34Å; L153-F156 PolarHBondContact O-N 3.48Å; L153-R157 WeakPolarHBondContact O-CG 3.22Å; L153-R157 PolarHBondContact O-N 3.18Å
154F98.4Very high97.8Very high122 Ų12263.1 Ų63.154%0.53530%0.296SS..Hα-helixtrans-72.3-29.8-177.4-80-77.7000112.5H150 A158H150-F154 WeakPolarHBondContact O-CD2 3.47Å; H150-F154 PolarHBondContact O-N 2.82Å; F154-A158 WeakPolarHBondContact O-CB 3.48Å; F154-A158 PolarHBondContact O-N 2.77Å
155A98.8Very high97.7Very high5 Ų566.5 Ų66.54%0.04131%0.313CS..Hα-helixtrans-59.4-52.9168.400000110.9A119 H120 Y124 D151 R152 L153 R157 A158 L159A119-A155 HydrophobicContact CB-CB 4.36Å; A119-A155 WeakPolarHBondContact O-CB 3.22Å; H120-A155 HydrophobicContact CB-CB 3.92Å; Y124-A155 HydrophobicContact CD2-CB 4.15Å; D151-A155 WeakPolarHBondContact O-CB 3.29Å; D151-A155 PolarHBondContact O-N 2.93Å; R152-A155 PolarHBondContact O-N 2.92Å; L153-A155 VanDerWaalsContact C-N 3.34Å; A155-R157 VanDerWaalsContact C-N 3.35Å; A155-R157 PolarHBondContact O-N 3.02Å; A155-A158 PolarHBondContact O-N 3.45Å; A155-A158 VanDerWaalsContact O-N 3.16Å; A155-L159 WeakPolarHBondContact O-CB 3.31Å; A155-L159 VanDerWaalsContact O-CG 3.23Å; A155-L159 WeakPolarHBondContact O-CG 3.35Å; A155-L159 PolarHBondContact O-N 3.15Å
156F98.6Very high97.6Very high12 Ų1269.1 Ų69.15%0.05333%0.327CS..Hα-helixtrans-58.6-44.5179.5-64.4-23.8000112.9A119 L139 V141 C144 R152 L153 A158 L159 E160 L166 L201A119-F156 HydrophobicContact CB-CD1 4.49Å; A119-F156 HydrophobicContact CB-CE1 3.78Å; A119-F156 HydrophobicContact CB-CZ 4.16Å; L139-F156 HydrophobicContact CD2-CD1 3.68Å; L139-F156 HydrophobicContact CD2-CE1 3.91Å; L139-F156 HydrophobicContact CG-CE1 4.49Å; V141-F156 HydrophobicContact CB-CD2 4.31Å; V141-F156 HydrophobicContact CB-CE2 3.93Å; V141-F156 HydrophobicContact CB-CZ 4.12Å; V141-F156 HydrophobicContact CG1-CD1 4.33Å; V141-F156 HydrophobicContact CG1-CD2 4.14Å; V141-F156 HydrophobicContact CG1-CE1 4.36Å; V141-F156 HydrophobicContact CG1-CE2 4.17Å; V141-F156 HydrophobicContact CG1-CG 4.22Å; V141-F156 HydrophobicContact CG1-CZ 4.28Å; C144-F156 HydrophobicContact CB-CE1 3.79Å; C144-F156 HydrophobicContact CB-CZ 3.68Å; R152-F156 HydrophobicContact CG-CD2 4.13Å; R152-F156 HydrophobicContact CG-CE1 4.49Å; R152-F156 HydrophobicContact CG-CE2 3.46Å; R152-F156 VanDerWaalsContact CG-CE2 3.46Å; R152-F156 HydrophobicContact CG-CZ 3.67Å; R152-F156 WeakPolarHBondContact O-CG 3.39Å; R152-F156 PolarHBondContact O-N 3.29Å; R152-F156 VanDerWaalsContact O-N 3.09Å; L153-F156 PolarHBondContact O-N 3.48Å; F156-A158 VanDerWaalsContact C-N 3.33Å; F156-A158 PolarHBondContact O-N 3.4Å; F156-L159 PolarHBondContact O-N 2.52Å; F156-E160 WeakPolarHBondContact O-CB 3.21Å; F156-E160 PolarHBondContact O-N 3.27Å; F156-L166 HydrophobicContact CB-CD1 4.02Å; F156-L166 HydrophobicContact CB-CD2 4.46Å; F156-L201 HydrophobicContact CD2-CD2 4.42Å; F156-L201 HydrophobicContact CE2-CD2 3.89Å
157R98.3Very high97.5Very high132 Ų13269.9 Ų69.950%0.49833%0.331SS..Hα-helixtrans-59.5-42.3176.3-73.4-179.3173.2-177.2-0.6112.8L153 A155 R161L153-R157 WeakPolarHBondContact O-CG 3.22Å; L153-R157 PolarHBondContact O-N 3.18Å; A155-R157 VanDerWaalsContact C-N 3.35Å; A155-R157 PolarHBondContact O-N 3.02Å; R157-R161 WeakPolarHBondContact O-CG 3.42Å; R157-R161 PolarHBondContact O-N 3.34Å
158A98.6Very high97.5Very high24 Ų2464.7 Ų64.720%0.19832%0.318CS..Hα-helixtrans-68-46178.100000111.4Y124 F154 A155 F156 E160 R161 F162Y124-A158 HydrophobicContact CE2-CB 3.78Å; F154-A158 WeakPolarHBondContact O-CB 3.48Å; F154-A158 PolarHBondContact O-N 2.77Å; A155-A158 PolarHBondContact O-N 3.45Å; A155-A158 VanDerWaalsContact O-N 3.16Å; F156-A158 VanDerWaalsContact C-N 3.33Å; F156-A158 PolarHBondContact O-N 3.4Å; A158-E160 VanDerWaalsContact C-N 3.35Å; A158-E160 PolarHBondContact O-N 3.25Å; A158-R161 WeakPolarHBondContact O-CB 3.23Å; A158-R161 PolarHBondContact O-N 2.88Å; A158-R161 VanDerWaalsContact O-N 3.11Å; A158-F162 HydrophobicContact CB-CE2 4.27Å; A158-F162 VanDerWaalsContact O-CD2 3.31Å; A158-F162 WeakPolarHBondContact O-CD2 3.2Å; A158-F162 WeakPolarHBondContact O-CG 3.34Å; A158-F162 PolarHBondContact O-N 2.73Å
159L98.6Very high97.6Very high0 Ų062.9 Ų62.90%031%0.306CS..Hα-helixtrans-63.4-39.1-179.6-65.3178.6000112.4I123 Y124 V127 L139 A155 F156 R161 F162 G163 A164I123-L159 HydrophobicContact CG2-CD1 4.19Å; Y124-L159 HydrophobicContact CD2-CD1 4.27Å; Y124-L159 HydrophobicContact CD2-CD2 3.7Å; Y124-L159 HydrophobicContact CD2-CG 3.88Å; Y124-L159 HydrophobicContact CE2-CD2 4.02Å; Y124-L159 HydrophobicContact CE2-CG 4.29Å; Y124-L159 HydrophobicContact CG-CD2 4.03Å; V127-L159 HydrophobicContact CB-CD1 4.27Å; V127-L159 HydrophobicContact CB-CD2 3.75Å; V127-L159 HydrophobicContact CG1-CB 4.4Å; V127-L159 HydrophobicContact CG1-CD2 3.73Å; V127-L159 HydrophobicContact CG1-CG 4.42Å; V127-L159 HydrophobicContact CG2-CD1 4.03Å; V127-L159 HydrophobicContact CG2-CD2 4.43Å; L139-L159 HydrophobicContact CD2-CB 4.42Å; L139-L159 HydrophobicContact CD2-CD1 3.64Å; A155-L159 WeakPolarHBondContact O-CB 3.31Å; A155-L159 VanDerWaalsContact O-CG 3.23Å; A155-L159 WeakPolarHBondContact O-CG 3.35Å; A155-L159 PolarHBondContact O-N 3.15Å; F156-L159 PolarHBondContact O-N 2.52Å; L159-R161 VanDerWaalsContact C-N 3.34Å; L159-R161 PolarHBondContact O-N 3.03Å; L159-F162 HydrophobicContact CD2-CD2 4.29Å; L159-F162 PolarHBondContact O-N 3.47Å; L159-G163 PolarHBondContact O-N 3.38Å; L159-A164 HydrophobicContact CB-CB 4.21Å; L159-A164 WeakPolarHBondContact O-CB 3.37Å; L159-A164 PolarHBondContact O-N 3.13Å
160E97.4Very high97.7Very high114 Ų11462.6 Ų62.653%0.53331%0.305SS..Hα-helixtrans-57.5-46.8171.6-175.4179.9-141.100111.3F156 A158 F162 G163 L166F156-E160 WeakPolarHBondContact O-CB 3.21Å; F156-E160 PolarHBondContact O-N 3.27Å; A158-E160 VanDerWaalsContact C-N 3.35Å; A158-E160 PolarHBondContact O-N 3.25Å; E160-F162 VanDerWaalsContact C-N 3.26Å; E160-F162 PolarHBondContact O-N 3.39Å; E160-G163 PolarHBondContact O-N 3.45Å; E160-L166 HydrophobicContact CB-CD1 3.92Å; E160-L166 HydrophobicContact CB-CG 3.98Å; E160-L166 HydrophobicContact CG-CD1 4.37Å; E160-L166 HydrophobicContact CG-CG 4.33Å
161R97.4Very high97.7Very high211 Ų21159.9 Ų59.980%0.79630%0.3SS*.Hα-helixtrans-64.5-29.7178.2-71.3179.969.1-164.90.6113.3R157 A158 L159 G163R157-R161 WeakPolarHBondContact O-CG 3.42Å; R157-R161 PolarHBondContact O-N 3.34Å; A158-R161 WeakPolarHBondContact O-CB 3.23Å; A158-R161 PolarHBondContact O-N 2.88Å; A158-R161 VanDerWaalsContact O-N 3.11Å; L159-R161 VanDerWaalsContact C-N 3.34Å; L159-R161 PolarHBondContact O-N 3.03Å; R161-G163 VanDerWaalsContact C-N 3.28Å
162F96.7Very high97.7Very high100 Ų10056.7 Ų56.744%0.43928%0.283SS..Hα-helixtrans-76.8-16.5175-61.6-34.4000113.3Y124 L128 L131 A158 L159 E160Y124-F162 HydrophobicContact CE2-CE2 4.49Å; Y124-F162 AromaticContact CZ-CE2 3.9Å; Y124-F162 WeakPolarHBondContact OH-CE2 3.49Å; L128-F162 HydrophobicContact CD2-CD2 3.41Å; L128-F162 VanDerWaalsContact CD2-CD2 3.41Å; L128-F162 HydrophobicContact CD2-CE2 3.73Å; L128-F162 HydrophobicContact CD2-CG 4.15Å; L131-F162 HydrophobicContact CD1-CB 3.89Å; A158-F162 HydrophobicContact CB-CE2 4.27Å; A158-F162 VanDerWaalsContact O-CD2 3.31Å; A158-F162 WeakPolarHBondContact O-CD2 3.2Å; A158-F162 WeakPolarHBondContact O-CG 3.34Å; A158-F162 PolarHBondContact O-N 2.73Å; L159-F162 HydrophobicContact CD2-CD2 4.29Å; L159-F162 PolarHBondContact O-N 3.47Å; E160-F162 VanDerWaalsContact C-N 3.26Å; E160-F162 PolarHBondContact O-N 3.39Å
163G95.2Very high97.6Very high44 Ų4456.7 Ų56.745%0.45428%0.283SS..THydrogen-bonded Turntrans118.77.6173.500000114.6L159 E160 R161L159-G163 PolarHBondContact O-N 3.38Å; E160-G163 PolarHBondContact O-N 3.45Å; R161-G163 VanDerWaalsContact C-N 3.28Å
164A97Very high97.6Very high5 Ų556.6 Ų56.64%0.04128%0.282CS..  trans-69.6138.7169.900000110.5V127 V137 L159 L166V127-A164 HydrophobicContact CG1-CB 3.77Å; V137-A164 HydrophobicContact CB-CB 4.4Å; V137-A164 HydrophobicContact CG1-CB 4.48Å; L159-A164 HydrophobicContact CB-CB 4.21Å; L159-A164 WeakPolarHBondContact O-CB 3.37Å; L159-A164 PolarHBondContact O-N 3.13Å; A164-L166 PolarHBondContact O-N 3.02Å
165I96.2Very high97.5Very high70 Ų7052.3 Ų52.336%0.35927%0.272SS..EExtended strand (participates in β ladder)trans-85.6108.3173.9-60.5162000107.2V137 H138 L139 T167V137-I165 PolarHBondContact O-N 2.98Å; H138-I165 CarbonylContact C-O 3.45Å; H138-I165 WeakPolarHBondContact CA-O 3.25Å; L139-I165 PolarHBondContact N-O 2.97Å; I165-T167 PolarHBondContact O-N 3.46Å
166L97.3Very high97.5Very high55 Ų5552.3 Ų52.329%0.28827%0.272SS..EExtended strand (participates in β ladder)trans-71.5122.2170.1-56.2-168.8000109L139 V141 F156 E160 A164L139-L166 HydrophobicContact CB-CD2 4.08Å; L139-L166 HydrophobicContact CD2-CD2 3.77Å; L139-L166 HydrophobicContact CG-CD2 4.3Å; V141-L166 HydrophobicContact CG1-CB 3.9Å; V141-L166 HydrophobicContact CG1-CD1 4.33Å; V141-L166 HydrophobicContact CG1-CD2 3.9Å; V141-L166 HydrophobicContact CG1-CG 4.25Å; F156-L166 HydrophobicContact CB-CD1 4.02Å; F156-L166 HydrophobicContact CB-CD2 4.46Å; E160-L166 HydrophobicContact CB-CD1 3.92Å; E160-L166 HydrophobicContact CB-CG 3.98Å; E160-L166 HydrophobicContact CG-CD1 4.37Å; E160-L166 HydrophobicContact CG-CG 4.33Å; A164-L166 PolarHBondContact O-N 3.02Å
167T97.4Very high97.4Very high16 Ų1652 Ų5210%0.09827%0.27CS..EExtended strand (participates in β ladder)trans-142.1177-177.5-169.10000110.8H138 L139 V140 V141 I165 C171 V172H138-T167 HydrophobicContact CB-CG2 4.04Å; L139-T167 PolarHBondContact O-N 3.38Å; V140-T167 CarbonylContact C-O 3.57Å; V140-T167 WeakPolarHBondContact CA-O 3.45Å; V140-T167 HydrophobicContact CG2-CG2 4.28Å; V141-T167 WeakPolarHBondContact CG2-O 3.29Å; V141-T167 PolarHBondContact N-O 2.63Å; I165-T167 PolarHBondContact O-N 3.46Å; T167-C171 WeakPolarHBondContact OG1-CB 3.35Å; T167-V172 HydrophobicContact CG2-CG2 3.56Å
168T98Very high97.2Very high58 Ų5852.2 Ų52.236%0.35627%0.271SS..  trans-119.2161.9177.963.30000111.7V141 D142 E170 C171 V172V141-T168 HydrophobicContact CG2-CG2 4.42Å; D142-T168 VanDerWaalsContact OD1-CA 3.28Å; D142-T168 WeakPolarHBondContact OD1-CA 3.29Å; T168-E170 VanDerWaalsContact C-N 3.3Å; T168-E170 PolarHBondContact O-N 3.22Å; T168-C171 WeakPolarHBondContact O-CB 3.49Å; T168-C171 PolarHBondContact O-N 3.23Å; T168-C171 WeakPolarHBondContact OG1-CB 3.41Å; T168-C171 PolarHBondContact OG1-N 3.13Å; T168-V172 WeakPolarHBondContact O-CG2 3.24Å; T168-V172 PolarHBondContact O-N 3.4Å
169N98.1Very high97Very high1 Ų152.7 Ų52.71%0.00528%0.278CS..Hα-helixtrans-57.1-42.5-179.387.2102.4000112.5V43 L47 V140 D142 V172 L173 T196V43-N169 HydrophobicContact CG1-CB 3.6Å; L47-N169 HydrophobicContact CD2-CB 4.08Å; L47-N169 HydrophobicContact CG-CB 4.17Å; V140-N169 HydrophobicContact CG1-CB 4.05Å; D142-N169 PolarHBondContact OD1-N 3.15Å; D142-N169 PolarHBondContact OD2-N 2.92Å; D142-N169 PolarHBondContact OD2-ND2 3.3Å; N169-V172 PolarHBondContact O-N 3.24Å; N169-L173 WeakPolarHBondContact O-CB 3.37Å; N169-L173 VanDerWaalsContact O-CG 3.28Å; N169-L173 WeakPolarHBondContact O-CG 3.25Å; N169-L173 PolarHBondContact O-N 2.8Å; N169-T196 PolarHBondContact ND2-OG1 3.25Å
170E97.7Very high96.9Very high61 Ų6156.1 Ų56.129%0.28531%0.307SS..Hα-helixtrans-67.5-40.2179.8-67.2-168-150.500111.2T168 V172 L173 L174 I192T168-E170 VanDerWaalsContact C-N 3.3Å; T168-E170 PolarHBondContact O-N 3.22Å; E170-V172 VanDerWaalsContact C-N 3.32Å; E170-V172 PolarHBondContact O-N 3.07Å; E170-L173 PolarHBondContact O-N 2.94Å; E170-L174 VanDerWaalsContact O-CB 3.31Å; E170-L174 WeakPolarHBondContact O-CB 3.48Å; E170-L174 WeakPolarHBondContact O-CG 3.47Å; E170-L174 PolarHBondContact O-N 3.04Å; E170-I192 HydrophobicContact CG-CB 4.09Å; E170-I192 HydrophobicContact CG-CG2 3.92Å
171C96.8Very high96.9Very high76 Ų7656.4 Ų56.451%0.51432%0.321SS..Hα-helixtrans-61.7-42176-171.60000111.4T167 T168 G175T167-C171 WeakPolarHBondContact OG1-CB 3.35Å; T168-C171 WeakPolarHBondContact O-CB 3.49Å; T168-C171 PolarHBondContact O-N 3.23Å; T168-C171 WeakPolarHBondContact OG1-CB 3.41Å; T168-C171 PolarHBondContact OG1-N 3.13Å; C171-G175 WeakPolarHBondContact O-CA 3.37Å; C171-G175 PolarHBondContact O-N 3.27Å
172V98Very high96.9Very high4 Ų449 Ų492%0.02430%0.295CS..Hα-helixtrans-63-53.7175.3165.60000111.3L14 L47 I113 V140 T167 T168 N169 E170 G175 L176L14-V172 HydrophobicContact CD2-CB 4.42Å; L14-V172 HydrophobicContact CD2-CG1 3.88Å; L14-V172 HydrophobicContact CD2-CG2 4.35Å; L47-V172 HydrophobicContact CD2-CB 4.26Å; L47-V172 HydrophobicContact CD2-CG1 3.92Å; I113-V172 HydrophobicContact CD1-CG1 3.75Å; I113-V172 HydrophobicContact CG1-CG1 4.18Å; I113-V172 HydrophobicContact CG2-CG1 4.03Å; I113-V172 HydrophobicContact CG2-CG2 4.34Å; V140-V172 HydrophobicContact CG2-CG2 4.04Å; T167-V172 HydrophobicContact CG2-CG2 3.56Å; T168-V172 WeakPolarHBondContact O-CG2 3.24Å; T168-V172 PolarHBondContact O-N 3.4Å; N169-V172 PolarHBondContact O-N 3.24Å; E170-V172 VanDerWaalsContact C-N 3.32Å; E170-V172 PolarHBondContact O-N 3.07Å; V172-G175 PolarHBondContact O-N 2.73Å; V172-L176 HydrophobicContact CG1-CD1 4.07Å; V172-L176 WeakPolarHBondContact O-CG 3.23Å; V172-L176 PolarHBondContact O-N 3.19Å
173L98.1Very high97Very high1 Ų149.7 Ų49.71%0.00531%0.31CS..Hα-helixtrans-63.9-46.7-174.5-70.2175.5000112.1R46 N169 E170 L177 V188 I192R46-L173 HydrophobicContact CB-CD1 4.37Å; N169-L173 WeakPolarHBondContact O-CB 3.37Å; N169-L173 VanDerWaalsContact O-CG 3.28Å; N169-L173 WeakPolarHBondContact O-CG 3.25Å; N169-L173 PolarHBondContact O-N 2.8Å; E170-L173 PolarHBondContact O-N 2.94Å; L173-L177 PolarHBondContact O-N 3.21Å; L173-V188 HydrophobicContact CB-CG1 3.98Å; L173-V188 HydrophobicContact CD2-CG1 4.47Å; L173-I192 HydrophobicContact CD1-CG2 3.59Å
174L97.2Very high97.1Very high77 Ų7751.2 Ų51.240%0.40330%0.304SS..Hα-helixtrans-69.7-34.8176.2-67.5175000111.9E170 L177 R178 I192E170-L174 VanDerWaalsContact O-CB 3.31Å; E170-L174 WeakPolarHBondContact O-CB 3.48Å; E170-L174 WeakPolarHBondContact O-CG 3.47Å; E170-L174 PolarHBondContact O-N 3.04Å; L174-L177 HydrophobicContact CD2-CD1 4.2Å; L174-L177 PolarHBondContact O-N 2.87Å; L174-R178 PolarHBondContact O-N 2.99Å; L174-I192 HydrophobicContact CD1-CD1 3.94Å; L174-I192 HydrophobicContact CD2-CD1 3.73Å; L174-I192 HydrophobicContact CG-CD1 3.68Å
175G96.5Very high97.2Very high32 Ų3253 Ų5333%0.3331%0.311SS..Hα-helixtrans-60.8-43.717600000112.5C171 V172 L177 R178C171-G175 WeakPolarHBondContact O-CA 3.37Å; C171-G175 PolarHBondContact O-N 3.27Å; V172-G175 PolarHBondContact O-N 2.73Å; G175-L177 VanDerWaalsContact C-N 3.33Å; G175-L177 PolarHBondContact O-N 2.91Å; G175-R178 WeakPolarHBondContact O-CD 3.46Å; G175-R178 PolarHBondContact O-N 2.67Å
176L97.6Very high97.3Very high6 Ų659.5 Ų59.53%0.03133%0.331CS..Hα-helixtrans-63-35.6177.5-73.8166.6000112.9L14 T15 A19 L54 V56 I113 V172 R178L14-L176 HydrophobicContact CD2-CD1 4.41Å; L14-L176 HydrophobicContact CD2-CD2 3.91Å; L14-L176 HydrophobicContact CD2-CG 3.87Å; L14-L176 HydrophobicContact CG-CD2 3.69Å; L14-L176 HydrophobicContact CG-CG 4.2Å; T15-L176 VanDerWaalsContact C-CD2 3.43Å; A19-L176 HydrophobicContact CB-CD2 4.11Å; L54-L176 HydrophobicContact CD1-CB 3.68Å; L54-L176 HydrophobicContact CD1-CD1 4.01Å; L54-L176 HydrophobicContact CD1-CG 4.48Å; V56-L176 HydrophobicContact CG2-CD1 4.32Å; V56-L176 HydrophobicContact CG2-CD2 4.27Å; I113-L176 HydrophobicContact CD1-CD1 4.17Å; V172-L176 HydrophobicContact CG1-CD1 4.07Å; V172-L176 WeakPolarHBondContact O-CG 3.23Å; V172-L176 PolarHBondContact O-N 3.19Å; L176-R178 VanDerWaalsContact C-N 3.33Å; L176-R178 PolarHBondContact O-N 3Å
177L96.9Very high97.3Very high4 Ų460.5 Ų60.52%0.02134%0.335CS..Hα-helixtrans-69.5-27.8177.6-69167.7000113.3L54 L173 L174 G175 G179 H182 K184 F185 V188L54-L177 HydrophobicContact CD2-CD2 3.73Å; L173-L177 PolarHBondContact O-N 3.21Å; L174-L177 HydrophobicContact CD2-CD1 4.2Å; L174-L177 PolarHBondContact O-N 2.87Å; G175-L177 VanDerWaalsContact C-N 3.33Å; G175-L177 PolarHBondContact O-N 2.91Å; L177-G179 PolarHBondContact O-N 2.72Å; L177-H182 HydrophobicContact CB-CB 4.25Å; L177-H182 HydrophobicContact CD2-CB 3.97Å; L177-H182 WeakPolarHBondContact CD2-ND1 3.26Å; L177-H182 WeakPolarHBondContact O-CB 3.39Å; L177-H182 PolarHBondContact O-CD2 3.13Å; L177-K184 HydrophobicContact CD2-CB 4.36Å; L177-F185 HydrophobicContact CD1-CD2 3.96Å; L177-V188 HydrophobicContact CD1-CB 3.86Å; L177-V188 HydrophobicContact CD1-CG1 3.73Å; L177-V188 HydrophobicContact CD2-CB 4.25Å; L177-V188 HydrophobicContact CD2-CG2 4.09Å; L177-V188 HydrophobicContact CG-CB 4.4Å; L177-V188 HydrophobicContact CG-CG1 4.3Å
178R94.1Very high97.3Very high138 Ų13859.8 Ų59.852%0.52133%0.33SS..  trans63.7-23-175-44.1-65.3-114.4120.60.3116.1R13 L174 G175 L176R13-R178 VanDerWaalsContact NH1-NH1 3.12Å; L174-R178 PolarHBondContact O-N 2.99Å; G175-R178 WeakPolarHBondContact O-CD 3.46Å; G175-R178 PolarHBondContact O-N 2.67Å; L176-R178 VanDerWaalsContact C-N 3.33Å; L176-R178 PolarHBondContact O-N 3Å
179G95.2Very high97.3Very high33 Ų3361.4 Ų61.434%0.3433%0.334SS..SBendtrans-175.8162.8178.200000113.8L177 S181 H182L177-G179 PolarHBondContact O-N 2.72Å; G179-S181 PolarHBondContact O-N 3.21Å; G179-H182 VanDerWaalsContact O-CB 3.31Å; G179-H182 WeakPolarHBondContact O-CB 3.44Å; G179-H182 PolarHBondContact O-N 3.25Å; G179-H182 VanDerWaalsContact O-N 3.11Å
180A96.6Very high97.3Very high73 Ų7367.2 Ų67.260%0.60336%0.361SS*.THydrogen-bonded Turntrans-68.5-14.5-177.300000114.3H182 F185A180-H182 VanDerWaalsContact C-N 3.27Å; A180-F185 HydrophobicContact CB-CD1 4.45Å; A180-F185 HydrophobicContact CB-CD2 4.18Å; A180-F185 HydrophobicContact CB-CE1 4.33Å; A180-F185 HydrophobicContact CB-CE2 4.07Å; A180-F185 HydrophobicContact CB-CG 4.38Å; A180-F185 HydrophobicContact CB-CZ 4.15Å
181S97.6Very high97.3Very high119 Ų11966 Ų6683%0.83236%0.356SS*.THydrogen-bonded Turntrans-81.3-3.4173.660.20000113.6G179G179-S181 PolarHBondContact O-N 3.21Å
182H97.7Very high97.2Very high55 Ų5563.2 Ų63.226%0.25534%0.336SS..SBendtrans-61.6135.7177.8-169.6-85.7000110.3L177 G179 A180 K184 F185L177-H182 HydrophobicContact CB-CB 4.25Å; L177-H182 HydrophobicContact CD2-CB 3.97Å; L177-H182 WeakPolarHBondContact CD2-ND1 3.26Å; L177-H182 WeakPolarHBondContact O-CB 3.39Å; L177-H182 PolarHBondContact O-CD2 3.13Å; G179-H182 VanDerWaalsContact O-CB 3.31Å; G179-H182 WeakPolarHBondContact O-CB 3.44Å; G179-H182 PolarHBondContact O-N 3.25Å; G179-H182 VanDerWaalsContact O-N 3.11Å; A180-H182 VanDerWaalsContact C-N 3.27Å; H182-K184 PolarHBondContact ND1-N 3.49Å; H182-K184 VanDerWaalsContact ND1-N 3.14Å; H182-K184 PolarHBondContact O-N 3.31Å; H182-F185 HydrophobicContact CB-CB 4.46Å; H182-F185 VanDerWaalsContact O-CB 3.23Å; H182-F185 WeakPolarHBondContact O-CB 3.27Å; H182-F185 PolarHBondContact O-N 3.28Å
183P97.9Very high97.1Very high115 Ų11570.3 Ų70.375%0.74737%0.366SS*.THydrogen-bonded Turntrans-54.9-32.1-176.7-28.135.1000114.1
184K97.9Very high96.9Very high76 Ų7676.8 Ų76.833%0.3340%0.397SS..THydrogen-bonded Turntrans-91.46.9179-61.6-66.4-176.8178.70115.6L54 L177 H182 R186 E187 V188L54-K184 HydrophobicContact CD2-CB 3.94Å; L54-K184 HydrophobicContact CD2-CG 4.47Å; L177-K184 HydrophobicContact CD2-CB 4.36Å; H182-K184 PolarHBondContact ND1-N 3.49Å; H182-K184 VanDerWaalsContact ND1-N 3.14Å; H182-K184 PolarHBondContact O-N 3.31Å; K184-R186 VanDerWaalsContact C-N 3.35Å; K184-R186 PolarHBondContact O-N 2.81Å; K184-E187 WeakPolarHBondContact CA-OE2 3.14Å; K184-E187 VanDerWaalsContact CD-OE1 3.22Å; K184-E187 WeakPolarHBondContact CD-OE1 3.18Å; K184-E187 IonicContact NZ-OE1 2.72Å; K184-E187 PolarHBondContact NZ-OE1 3.3Å; K184-E187 PolarHBondContact O-N 2.91Å; K184-V188 WeakPolarHBondContact O-CG2 3.37Å; K184-V188 PolarHBondContact O-N 2.83Å; K184-V188 VanDerWaalsContact O-N 3.07Å
185F98Very high96.7Very high43 Ų4379.1 Ų79.119%0.18941%0.414CS..Hα-helixtrans-57.8-46.2-174.8171-99.5000112.1L177 A180 H182 V188 Q189L177-F185 HydrophobicContact CD1-CD2 3.96Å; A180-F185 HydrophobicContact CB-CD1 4.45Å; A180-F185 HydrophobicContact CB-CD2 4.18Å; A180-F185 HydrophobicContact CB-CE1 4.33Å; A180-F185 HydrophobicContact CB-CE2 4.07Å; A180-F185 HydrophobicContact CB-CG 4.38Å; A180-F185 HydrophobicContact CB-CZ 4.15Å; H182-F185 HydrophobicContact CB-CB 4.46Å; H182-F185 VanDerWaalsContact O-CB 3.23Å; H182-F185 WeakPolarHBondContact O-CB 3.27Å; H182-F185 PolarHBondContact O-N 3.28Å; F185-V188 PolarHBondContact O-N 2.74Å; F185-Q189 HydrophobicContact CE1-CB 4.42Å; F185-Q189 HydrophobicContact CZ-CB 4.31Å; F185-Q189 HydrophobicContact CZ-CG 4.33Å; F185-Q189 WeakPolarHBondContact O-CB 3.2Å; F185-Q189 PolarHBondContact O-N 2.81Å
186R98Very high96.5Very high207 Ų20778.7 Ų78.778%0.78140%0.404SS*.Hα-helixtrans-65.9-42.5-177.2-68.3-175.6-178.8176.90.8112.2K184 Q190K184-R186 VanDerWaalsContact C-N 3.35Å; K184-R186 PolarHBondContact O-N 2.81Å; R186-Q190 PolarHBondContact O-N 3.46Å
187E98.3Very high96.1Very high76 Ų7679.9 Ų79.936%0.35541%0.413SS..Hα-helixtrans-64.9-42.5177.5-63.1112119.400111.8L53 K184 Q190L53-E187 HydrophobicContact CD1-CB 3.85Å; L53-E187 HydrophobicContact CD2-CB 4.12Å; K184-E187 WeakPolarHBondContact CA-OE2 3.14Å; K184-E187 VanDerWaalsContact CD-OE1 3.22Å; K184-E187 WeakPolarHBondContact CD-OE1 3.18Å; K184-E187 IonicContact NZ-OE1 2.72Å; K184-E187 PolarHBondContact NZ-OE1 3.3Å; K184-E187 PolarHBondContact O-N 2.91Å; E187-Q190 WeakPolarHBondContact O-CB 3.49Å; E187-Q190 PolarHBondContact O-N 2.92Å
188V97.7Very high96Very high0 Ų084.3 Ų84.30%044%0.437CS..Hα-helixtrans-72.1-39.5179.2174.70000111.7L53 L54 L173 L177 K184 F185 Q190 L191L53-V188 HydrophobicContact CB-CG2 4.22Å; L53-V188 HydrophobicContact CD1-CG2 4Å; L54-V188 HydrophobicContact CD1-CG2 4.13Å; L54-V188 HydrophobicContact CD2-CG2 4.14Å; L54-V188 HydrophobicContact CG-CG2 4.08Å; L173-V188 HydrophobicContact CB-CG1 3.98Å; L173-V188 HydrophobicContact CD2-CG1 4.47Å; L177-V188 HydrophobicContact CD1-CB 3.86Å; L177-V188 HydrophobicContact CD1-CG1 3.73Å; L177-V188 HydrophobicContact CD2-CB 4.25Å; L177-V188 HydrophobicContact CD2-CG2 4.09Å; L177-V188 HydrophobicContact CG-CB 4.4Å; L177-V188 HydrophobicContact CG-CG1 4.3Å; K184-V188 WeakPolarHBondContact O-CG2 3.37Å; K184-V188 PolarHBondContact O-N 2.83Å; K184-V188 VanDerWaalsContact O-N 3.07Å; F185-V188 PolarHBondContact O-N 2.74Å; V188-Q190 PolarHBondContact O-N 2.94Å; V188-L191 VanDerWaalsContact O-CB 3.29Å; V188-L191 WeakPolarHBondContact O-CB 2.95Å; V188-L191 PolarHBondContact O-N 3.16Å
189Q97.5Very high96Very high93 Ų9378 Ų7844%0.43541%0.413SS..Hα-helixtrans-56.5-36.4174.8-176.7-175.142.800111.1F185 L191 I192 K193F185-Q189 HydrophobicContact CE1-CB 4.42Å; F185-Q189 HydrophobicContact CZ-CB 4.31Å; F185-Q189 HydrophobicContact CZ-CG 4.33Å; F185-Q189 WeakPolarHBondContact O-CB 3.2Å; F185-Q189 PolarHBondContact O-N 2.81Å; Q189-L191 PolarHBondContact O-N 3.05Å; Q189-I192 CarbonylContact O-C 3.29Å; Q189-I192 WeakPolarHBondContact O-CG1 3.43Å; Q189-I192 PolarHBondContact O-N 2.78Å; Q189-I192 VanDerWaalsContact O-N 3.1Å; Q189-K193 PolarHBondContact O-N 2.88Å
190Q97.9Very high95.8Very high123 Ų12377.8 Ų77.858%0.57541%0.411SS*.Hα-helixtrans-63.9-25178.6-169.655.941.300112.9R186 E187 V188 I192R186-Q190 PolarHBondContact O-N 3.46Å; E187-Q190 WeakPolarHBondContact O-CB 3.49Å; E187-Q190 PolarHBondContact O-N 2.92Å; V188-Q190 PolarHBondContact O-N 2.94Å; Q190-I192 VanDerWaalsContact C-N 3.31Å
191L97.3Very high95.6Very high34 Ų3477.4 Ų77.418%0.17840%0.399CS..Hα-helixtrans-72.8-24.6175.8-55.7178.5000113.2R46 K49 L53 V188 Q189R46-L191 WeakPolarHBondContact CD-O 3.41Å; R46-L191 PolarHBondContact NE-O 3.47Å; K49-L191 HydrophobicContact CB-CD1 3.79Å; K49-L191 HydrophobicContact CB-CD2 3.82Å; K49-L191 HydrophobicContact CB-CG 4.49Å; K49-L191 HydrophobicContact CD-CD2 3.95Å; L53-L191 HydrophobicContact CD1-CD1 3.98Å; V188-L191 VanDerWaalsContact O-CB 3.29Å; V188-L191 WeakPolarHBondContact O-CB 2.95Å; V188-L191 PolarHBondContact O-N 3.16Å; Q189-L191 PolarHBondContact O-N 3.05Å
192I96.2Very high95Very high18 Ų1877.6 Ų77.69%0.09240%0.399CS..THydrogen-bonded Turntrans-119.617.1-175.561.8169.7000111.9E170 L173 L174 Q189 Q190 E194E170-I192 HydrophobicContact CG-CB 4.09Å; E170-I192 HydrophobicContact CG-CG2 3.92Å; L173-I192 HydrophobicContact CD1-CG2 3.59Å; L174-I192 HydrophobicContact CD1-CD1 3.94Å; L174-I192 HydrophobicContact CD2-CD1 3.73Å; L174-I192 HydrophobicContact CG-CD1 3.68Å; Q189-I192 CarbonylContact O-C 3.29Å; Q189-I192 WeakPolarHBondContact O-CG1 3.43Å; Q189-I192 PolarHBondContact O-N 2.78Å; Q189-I192 VanDerWaalsContact O-N 3.1Å; Q190-I192 VanDerWaalsContact C-N 3.31Å; I192-E194 PolarHBondContact O-N 2.9Å
193K95.2Very high93.7Very high154 Ų15484.8 Ų84.867%0.6743%0.432SS*.SBendtrans-64-36.3177.9-174.4178.6-178.6-1790111.3Q189Q189-K193 PolarHBondContact O-N 2.88Å
194E93.8Very high93.5Very high137 Ų13783.3 Ų83.364%0.6442%0.416SS*.SBendtrans-90132.7170.6-67.1176.5-174.900109.2R46 I192 T196R46-E194 PolarHBondContact NH1-O 3.03Å; R46-E194 PolarHBondContact NH2-O 2.66Å; I192-E194 PolarHBondContact O-N 2.9Å; E194-T196 PolarHBondContact O-N 2.74Å
195V92.8Very high93.3Very high126 Ų12683.6 Ų83.676%0.76442%0.421SS*.PPolyproline II helixtrans-49.3135.9175.5179.90000109.5R46R46-V195 PolarHBondContact NH2-O 2.78Å
196T91.8Very high93Very high22 Ų2285.9 Ų85.914%0.13543%0.434CS..PPolyproline II helixtrans-55.5132.7174.4-73.50000111V43 R46 D142 N169 E194 D198V43-T196 HydrophobicContact CG2-CG2 3.59Å; R46-T196 PolarHBondContact NH1-OG1 2.78Å; D142-T196 HydrophobicContact CB-CG2 4.36Å; N169-T196 PolarHBondContact ND2-OG1 3.25Å; E194-T196 PolarHBondContact O-N 2.74Å; T196-D198 PolarHBondContact O-N 3.06Å
197P90.4Very high92.7Very high31 Ų3178.8 Ų78.820%0.20141%0.413CS..PPolyproline II helixtrans-57.3139.7178.5-2027.3000111.9Q39 Q42 S199Q39-P197 HydrophobicContact CB-CB 3.87Å; Q39-P197 HydrophobicContact CB-CG 4.5Å; Q39-P197 HydrophobicContact CG-CB 3.46Å; Q39-P197 VanDerWaalsContact CG-CB 3.46Å; Q39-P197 HydrophobicContact CG-CG 4.37Å; Q42-P197 HydrophobicContact CG-CG 4.45Å; P197-S199 PolarHBondContact O-N 2.96Å
198D93.8Very high92.4Very high98 Ų9878.9 Ų78.952%0.52442%0.417SS..PPolyproline II helixtrans-64.6126.9175-167.9-6.4000110.2T196 G200 H203T196-D198 PolarHBondContact O-N 3.06Å; D198-G200 PolarHBondContact OD1-N 2.88Å; D198-H203 IonicContact OD2-CD2 3.86Å; D198-H203 IonicContact OD2-CE1 2.8Å; D198-H203 IonicContact OD2-NE2 3.64Å; D198-H203 PolarHBondContact OD2-NE2 3.31Å
199S93.9Very high92Very high5 Ų584.2 Ų84.24%0.03545%0.445CS..  trans-109.714.3176.367.30000112.8R152 P197R152-S199 PolarHBondContact NH1-O 2.91Å; R152-S199 PolarHBondContact NH2-OG 2.71Å; P197-S199 PolarHBondContact O-N 2.96Å
200G91.9Very high91.6Very high29 Ų2983.6 Ų83.630%0.29945%0.445SS..SBendtrans7828.417600000114.2D198D198-G200 PolarHBondContact OD1-N 2.88Å
201L91.6Very high91.1Very high65 Ų6580.5 Ų80.534%0.3444%0.435SS..  trans-85-24.5-176-73.7173.9000114.5V141 D142 R152 F156V141-L201 HydrophobicContact CB-CD1 4.15Å; V141-L201 HydrophobicContact CG2-CD1 3.79Å; D142-L201 HydrophobicContact CB-CD1 4.2Å; R152-L201 VanDerWaalsContact CZ-CD2 3.48Å; F156-L201 HydrophobicContact CD2-CD2 4.42Å; F156-L201 HydrophobicContact CE2-CD2 3.89Å
202C85.1Confident90.6Very high123 Ų12384.4 Ų84.483%0.83146%0.457SS*.  trans-105.59.1-171.3-63.10000113.9
203H70.8Confident90.1Very high205 Ų20590.5 Ų90.595%0.94949%0.49SS*.  trans-1140-174.8-53.4-70.8000112.3D198D198-H203 IonicContact OD2-CD2 3.86Å; D198-H203 IonicContact OD2-CE1 2.8Å; D198-H203 IonicContact OD2-NE2 3.64Å; D198-H203 PolarHBondContact OD2-NE2 3.31Å

Retrieved 203 of 203 residues in 100.5 ms (Link to these results)

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