A0A077ZH96_TRITR Loading...

Zona pellucida domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZH96, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 387 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
1M39.6Very low73.9Confident253 Ų25374.1 Ų74.1100%1.24641%0.409SS*.  0730-79.1169.2170.800107.4
2G50.9Low75.1Confident31 Ų3178 Ų7832%0.3242%0.422SS..  trans-113.549.5-172.300000111T4 G99G2-T4 PolarHBondContact O-N 3.35Å; G2-G99 WeakPolarHBondContact O-CA 3.32Å
3D64.1Low76Confident127 Ų12773.2 Ų73.268%0.67940%0.397SS*.  trans-57.1131.1168.7-178.7-5.9000108G5D3-G5 PolarHBondContact O-N 2.78Å; D3-G5 VanDerWaalsContact O-N 3.17Å; D3-G5 PolarHBondContact OD1-N 2.84Å
4T64.9Low76.6Confident14 Ų1472.5 Ų72.59%0.08639%0.393CS..  trans-62.3-21.6179.767.90000111.2G2 L6 L89 G99 E101G2-T4 PolarHBondContact O-N 3.35Å; T4-L6 VanDerWaalsContact C-N 3.27Å; T4-L6 PolarHBondContact O-N 3.32Å; T4-L6 PolarHBondContact OG1-N 2.86Å; T4-L89 HydrophobicContact CG2-CB 4.3Å; T4-G99 WeakPolarHBondContact CG2-O 3.47Å; T4-E101 WeakPolarHBondContact CB-OE1 3.29Å; T4-E101 HydrophobicContact CG2-CB 4.09Å; T4-E101 HydrophobicContact CG2-CG 3.9Å; T4-E101 WeakPolarHBondContact CG2-OE1 3.29Å; T4-E101 PolarHBondContact N-OE1 2.89Å; T4-E101 PolarHBondContact OG1-OE1 3.3Å; T4-E101 PolarHBondContact OG1-OE2 3.09Å; T4-E101 VanDerWaalsContact OG1-OE2 3.07Å
5G78.2Confident76.8Confident17 Ų1768.3 Ų68.318%0.17537%0.371CS..  trans69.925.8179.600000112.5D3 L7 F24 A25D3-G5 PolarHBondContact O-N 2.78Å; D3-G5 VanDerWaalsContact O-N 3.17Å; D3-G5 PolarHBondContact OD1-N 2.84Å; G5-L7 PolarHBondContact O-N 3.3Å; G5-F24 WeakPolarHBondContact O-CA 3.37Å; G5-A25 WeakPolarHBondContact O-CB 3.4Å; G5-A25 PolarHBondContact O-N 3.37Å
6L82.5Confident77.2Confident33 Ų3372.4 Ų72.417%0.17339%0.387CS..EExtended strand (participates in β ladder)trans-64.6117.3173.7-173.869.6000109.5T4 R9 L22 F24 L89T4-L6 VanDerWaalsContact C-N 3.27Å; T4-L6 PolarHBondContact O-N 3.32Å; T4-L6 PolarHBondContact OG1-N 2.86Å; L6-R9 HydrophobicContact CD2-CB 4.48Å; L6-L22 HydrophobicContact CD1-CB 3.84Å; L6-L22 HydrophobicContact CD1-CD2 4.09Å; L6-L22 HydrophobicContact CD1-CG 4.45Å; L6-F24 HydrophobicContact CB-CD1 4.29Å; L6-F24 HydrophobicContact CB-CE1 4.29Å; L6-F24 HydrophobicContact CD1-CD1 3.97Å; L6-F24 HydrophobicContact CD1-CE1 3.65Å; L6-F24 HydrophobicContact CD1-CZ 3.98Å; L6-L89 HydrophobicContact CD2-CD2 4.12Å
7L84.9Confident77.7Confident113 Ų11371.2 Ų71.259%0.59238%0.379SS*.EExtended strand (participates in β ladder)trans-89.1-46179.7-73.4177.3000112.2G5 H23 A25G5-L7 PolarHBondContact O-N 3.3Å; L7-H23 PolarHBondContact N-O 3.42Å; L7-A25 VanDerWaalsContact CD1-CA 3.47Å; L7-A25 HydrophobicContact CD1-CB 3.85Å; L7-A25 HydrophobicContact CD2-CB 3.88Å; L7-A25 HydrophobicContact CG-CB 3.7Å
8D86.1Confident78.3Confident98 Ų9867.2 Ų67.252%0.52436%0.358SS..EExtended strand (participates in β ladder)trans-147.5153.5-172.1-16923.1000110.6H23D8-H23 HydrophobicContact CB-CB 4.07Å; D8-H23 PolarHBondContact N-O 3.13Å; D8-H23 PolarHBondContact O-N 2.95Å
9R85.7Confident79Confident56 Ų5664.2 Ų64.221%0.21134%0.342CS..EExtended strand (participates in β ladder)trans-151.1123.1-175.755.6-170.8-170.1-165.70.1109.8L6 D21 L22 A135 V138L6-R9 HydrophobicContact CD2-CB 4.48Å; R9-D21 WeakPolarHBondContact CA-O 3.43Å; R9-L22 HydrophobicContact CB-CD2 3.92Å; R9-A135 PolarHBondContact NH1-O 2.82Å; R9-A135 VanDerWaalsContact NH1-O 3.15Å; R9-A135 PolarHBondContact NH2-O 3.4Å; R9-V138 HydrophobicContact CB-CG2 4.46Å; R9-V138 VanDerWaalsContact CD-CG2 3.47Å; R9-V138 HydrophobicContact CG-CG2 3.67Å
10S87.5Confident79.6Confident52 Ų5261 Ų6136%0.36433%0.325SS..EExtended strand (participates in β ladder)trans-124.8150.817655.50000110.6D21S10-D21 PolarHBondContact N-O 3.29Å; S10-D21 PolarHBondContact O-N 3.22Å
11V88.8Confident80.2Confident21 Ų2160.1 Ų60.113%0.12732%0.32CS..EExtended strand (participates in β ladder)trans-127.9124.1179.3176.90000107.5I18 T19 V20 V105 V138V11-I18 HydrophobicContact CG1-CG2 3.91Å; V11-T19 WeakPolarHBondContact CA-O 3.34Å; V11-V20 HydrophobicContact CG2-CG1 4.33Å; V11-V20 HydrophobicContact CG2-CG2 4.4Å; V11-V105 HydrophobicContact CB-CG1 4.38Å; V11-V105 HydrophobicContact CG1-CG1 3.68Å; V11-V105 HydrophobicContact CG2-CG1 3.7Å; V11-V105 HydrophobicContact CG2-CG2 4.16Å; V11-V138 HydrophobicContact CB-CG1 4.06Å; V11-V138 HydrophobicContact CG2-CB 3.86Å; V11-V138 HydrophobicContact CG2-CG1 3.4Å
12E87.8Confident82.6Confident121 Ų12148.2 Ų48.257%0.56526%0.262SS*.EExtended strand (participates in β ladder)trans-109.7122.4171.5-65.3-176176.200108T19E12-T19 PolarHBondContact N-O 2.58Å; E12-T19 PolarHBondContact O-N 3.5Å
13C87.1Confident84.6Confident15 Ų1549.5 Ų49.510%0.10126%0.259CS..EExtended strand (participates in β ladder)trans-110.9122.9-177.5-54.40000108.6C107 G140C13-C107 HydrophobicContact CB-CB 3.66Å; C13-C107 WeakPolarHBondContact CB-SG 3.29Å; C13-C107 VanDerWaalsContact SG-CA 3.53Å; C13-C107 WeakPolarHBondContact SG-CB 3.38Å; C13-C107 CovalentContact SG-SG 2.02Å; C13-C107 PolarHBondContact SG-SG 3.48Å; C13-G140 VanDerWaalsContact SG-C 3.53Å; C13-G140 WeakPolarHBondContact SG-CA 3.35Å
14N84.5Confident85.9Confident64 Ų6443.5 Ų43.534%0.34223%0.227SC..  trans-127.1175166.369.848.9000109.4E16 E17 L59 Y109N14-E16 VanDerWaalsContact C-N 3.27Å; N14-E16 PolarHBondContact O-N 3.32Å; N14-E16 WeakPolarHBondContact OD1-CA 3.36Å; N14-E16 PolarHBondContact OD1-N 2.93Å; N14-E17 PolarHBondContact N-O 3.42Å; N14-E17 PolarHBondContact OD1-N 3.27Å; N14-E17 PolarHBondContact OD1-O 3.44Å; N14-E17 VanDerWaalsContact OD1-O 3.08Å; N14-L59 WeakPolarHBondContact O-CD1 3.4Å; N14-Y109 PolarHBondContact O-OH 3.42Å
15S79.4Confident87Confident9 Ų945.2 Ų45.26%0.06324%0.243CC..SBendtrans-67.3-24.8-176.161.20000113.9D179 S181 I182S15-D179 WeakPolarHBondContact CB-OD2 3.08Å; S15-D179 PolarHBondContact OG-OD1 3.21Å; S15-D179 VanDerWaalsContact OG-OD1 3.12Å; S15-D179 PolarHBondContact OG-OD2 3.13Å; S15-S181 WeakPolarHBondContact CB-OG 3.25Å; S15-S181 WeakPolarHBondContact O-CB 3.35Å; S15-S181 PolarHBondContact O-OG 3.3Å; S15-S181 PolarHBondContact OG-OG 2.94Å; S15-S181 VanDerWaalsContact OG-OG 3.13Å; S15-I182 VanDerWaalsContact O-CG2 3.27Å; S15-I182 WeakPolarHBondContact O-CG2 3.34Å
16E82.8Confident87.6Confident134 Ų13452.1 Ų52.163%0.62627%0.268SS*.SBendtrans-90.9-42.1-178.9-61.4-174.4169.800112.6N14 L59N14-E16 VanDerWaalsContact C-N 3.27Å; N14-E16 PolarHBondContact O-N 3.32Å; N14-E16 WeakPolarHBondContact OD1-CA 3.36Å; N14-E16 PolarHBondContact OD1-N 2.93Å; E16-L59 PolarHBondContact O-N 3.07Å
17E87Confident88Confident52 Ų5254 Ų5424%0.24328%0.282CS..EExtended strand (participates in β ladder)trans-152154.6-173.866179.4-16800114.2N14 L57N14-E17 PolarHBondContact N-O 3.42Å; N14-E17 PolarHBondContact OD1-N 3.27Å; N14-E17 PolarHBondContact OD1-O 3.44Å; N14-E17 VanDerWaalsContact OD1-O 3.08Å; E17-L57 CarbonylContact C-O 3.59Å; E17-L57 WeakPolarHBondContact CA-O 3.42Å
18I88.1Confident88.3Confident0 Ų049.1 Ų49.10%026%0.256CS..EExtended strand (participates in β ladder)trans-97.3123167.6-55.9176.4000108.1V11 V20 L57 L59 L71 V105 C107V11-I18 HydrophobicContact CG1-CG2 3.91Å; I18-V20 HydrophobicContact CG2-CG2 4.17Å; I18-L57 HydrophobicContact CB-CB 4.19Å; I18-L57 PolarHBondContact N-O 3.09Å; I18-L57 PolarHBondContact O-N 3.21Å; I18-L59 HydrophobicContact CD1-CD2 3.74Å; I18-L59 HydrophobicContact CG1-CD2 3.75Å; I18-L59 HydrophobicContact CG1-CG 4.3Å; I18-L71 HydrophobicContact CD1-CD2 3.99Å; I18-V105 HydrophobicContact CG2-CG1 3.97Å; I18-C107 HydrophobicContact CD1-CB 4.07Å; I18-C107 VanDerWaalsContact CD1-SG 3.56Å; I18-C107 HydrophobicContact CG1-CB 4.39Å; I18-C107 VanDerWaalsContact CG1-SG 3.52Å; I18-C107 VanDerWaalsContact CG2-SG 3.58Å
19T90.9Very high88.4Confident9 Ų948.7 Ų48.76%0.05525%0.254CS..EExtended strand (participates in β ladder)trans-104.8126.1174.3-61.10000109.9V11 E12 Q54 L55V11-T19 WeakPolarHBondContact CA-O 3.34Å; E12-T19 PolarHBondContact N-O 2.58Å; E12-T19 PolarHBondContact O-N 3.5Å; T19-Q54 HydrophobicContact CG2-CG 3.68Å; T19-L55 CarbonylContact C-O 3.59Å; T19-L55 WeakPolarHBondContact CA-O 3.36Å
20V91.3Very high88.6Confident1 Ų146 Ų461%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-116.7120.6177.9-172.80000107.8V11 I18 L22 Q54 L55 L57 L87 V105V11-V20 HydrophobicContact CG2-CG1 4.33Å; V11-V20 HydrophobicContact CG2-CG2 4.4Å; I18-V20 HydrophobicContact CG2-CG2 4.17Å; V20-L22 HydrophobicContact CG1-CD2 3.87Å; V20-L22 HydrophobicContact CG1-CG 4.24Å; V20-Q54 WeakPolarHBondContact O-CA 3.34Å; V20-L55 HydrophobicContact CB-CB 4.23Å; V20-L55 HydrophobicContact CB-CD1 4.13Å; V20-L55 HydrophobicContact CG1-CD1 4.33Å; V20-L55 PolarHBondContact N-O 2.94Å; V20-L55 WeakPolarHBondContact O-CD1 3.31Å; V20-L55 PolarHBondContact O-N 3.23Å; V20-L57 HydrophobicContact CG2-CD1 4.31Å; V20-L87 HydrophobicContact CG1-CD1 4.41Å; V20-L87 HydrophobicContact CG2-CD1 4.4Å; V20-V105 HydrophobicContact CG1-CG2 4.18Å; V20-V105 HydrophobicContact CG2-CB 4.46Å; V20-V105 HydrophobicContact CG2-CG1 3.99Å; V20-V105 HydrophobicContact CG2-CG2 3.91Å
21D91.9Very high88.8Confident43 Ų4343.6 Ų43.623%0.2323%0.227CC..EExtended strand (participates in β ladder)trans-106.7122.2176.1-70.9-61.5000109.3R9 S10 Q54R9-D21 WeakPolarHBondContact CA-O 3.43Å; S10-D21 PolarHBondContact N-O 3.29Å; S10-D21 PolarHBondContact O-N 3.22Å; D21-Q54 VanDerWaalsContact OD1-CB 3.3Å; D21-Q54 WeakPolarHBondContact OD1-CB 3.33Å; D21-Q54 WeakPolarHBondContact OD1-CG 3.46Å; D21-Q54 PolarHBondContact OD1-NE2 3.36Å
22L90.8Very high88.9Confident2 Ų242.6 Ų42.61%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-113.1129.4-179.8-58.3179.9000109.8L6 R9 V20 F24 V32 R52 L53 L55 L89 L103L6-L22 HydrophobicContact CD1-CB 3.84Å; L6-L22 HydrophobicContact CD1-CD2 4.09Å; L6-L22 HydrophobicContact CD1-CG 4.45Å; R9-L22 HydrophobicContact CB-CD2 3.92Å; V20-L22 HydrophobicContact CG1-CD2 3.87Å; V20-L22 HydrophobicContact CG1-CG 4.24Å; L22-F24 HydrophobicContact CB-CE2 3.72Å; L22-F24 HydrophobicContact CB-CZ 3.81Å; L22-F24 HydrophobicContact CD1-CZ 4.11Å; L22-V32 HydrophobicContact CD1-CG2 4.2Å; L22-R52 VanDerWaalsContact O-CA 3.29Å; L22-R52 WeakPolarHBondContact O-CA 3.28Å; L22-L53 PolarHBondContact N-O 2.92Å; L22-L53 PolarHBondContact O-N 2.88Å; L22-L55 HydrophobicContact CD1-CD1 3.6Å; L22-L55 HydrophobicContact CG-CD1 3.77Å; L22-L89 HydrophobicContact CD1-CD2 4.01Å; L22-L89 HydrophobicContact CD1-CG 4.45Å; L22-L103 HydrophobicContact CD2-CD2 3.69Å
23H91.9Very high88.9Confident58 Ų5837.4 Ų37.427%0.26920%0.196SC..EExtended strand (participates in β ladder)trans-115.9128.7178-173.245.9000111.4L7 D8 H51L7-H23 PolarHBondContact N-O 3.42Å; D8-H23 HydrophobicContact CB-CB 4.07Å; D8-H23 PolarHBondContact N-O 3.13Å; D8-H23 PolarHBondContact O-N 2.95Å; H23-H51 CarbonylContact C-O 3.2Å; H23-H51 WeakPolarHBondContact CA-O 3.28Å; H23-H51 PolarHBondContact ND1-O 3.49Å
24F91.1Very high89Confident1 Ų136.7 Ų36.70%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-115.7142.9-173.9-57.1-87.5000112.3G5 L6 L22 K26 F28 H51 L53 L89G5-F24 WeakPolarHBondContact O-CA 3.37Å; L6-F24 HydrophobicContact CB-CD1 4.29Å; L6-F24 HydrophobicContact CB-CE1 4.29Å; L6-F24 HydrophobicContact CD1-CD1 3.97Å; L6-F24 HydrophobicContact CD1-CE1 3.65Å; L6-F24 HydrophobicContact CD1-CZ 3.98Å; L22-F24 HydrophobicContact CB-CE2 3.72Å; L22-F24 HydrophobicContact CB-CZ 3.81Å; L22-F24 HydrophobicContact CD1-CZ 4.11Å; F24-K26 VanDerWaalsContact CB-O 3.31Å; F24-K26 WeakPolarHBondContact CB-O 3.49Å; F24-K26 PolarHBondContact O-N 2.95Å; F24-F28 HydrophobicContact CB-CB 4.26Å; F24-F28 HydrophobicContact CD1-CB 4.31Å; F24-F28 AromaticContact CD1-CD2 3.95Å; F24-F28 HydrophobicContact CD1-CD2 3.95Å; F24-F28 HydrophobicContact CD1-CG 4.26Å; F24-F28 HydrophobicContact CD2-CB 3.62Å; F24-F28 HydrophobicContact CD2-CD2 4.49Å; F24-F28 AromaticContact CD2-CG 3.99Å; F24-F28 HydrophobicContact CD2-CG 3.99Å; F24-F28 AromaticContact CE1-CD2 3.76Å; F24-F28 HydrophobicContact CE1-CD2 3.76Å; F24-F28 HydrophobicContact CE1-CE2 4.05Å; F24-F28 HydrophobicContact CE1-CG 4.12Å; F24-F28 HydrophobicContact CE2-CB 3.97Å; F24-F28 HydrophobicContact CE2-CD1 4.01Å; F24-F28 HydrophobicContact CE2-CD2 4.33Å; F24-F28 AromaticContact CE2-CG 3.85Å; F24-F28 HydrophobicContact CE2-CG 3.85Å; F24-F28 HydrophobicContact CG-CB 3.81Å; F24-F28 HydrophobicContact CG-CD2 4.31Å; F24-F28 HydrophobicContact CG-CG 4.19Å; F24-F28 HydrophobicContact CZ-CB 4.46Å; F24-F28 HydrophobicContact CZ-CD1 4.11Å; F24-F28 AromaticContact CZ-CD2 3.97Å; F24-F28 HydrophobicContact CZ-CD2 3.97Å; F24-F28 HydrophobicContact CZ-CE1 4.36Å; F24-F28 HydrophobicContact CZ-CE2 4.21Å; F24-F28 AromaticContact CZ-CG 3.91Å; F24-F28 HydrophobicContact CZ-CG 3.91Å; F24-F28 HydrophobicContact CZ-CZ 4.39Å; F24-H51 PolarHBondContact N-O 2.92Å; F24-H51 PolarHBondContact O-ND1 3.49Å; F24-L53 HydrophobicContact CE2-CB 3.96Å; F24-L89 HydrophobicContact CE1-CD2 4.21Å; F24-L89 HydrophobicContact CZ-CD2 4.37Å
25A89.9Confident89Confident51 Ų5137 Ų3742%0.42119%0.193SC..SBendtrans-64.1-31.5176.500000112.6G5 L7 H51G5-A25 WeakPolarHBondContact O-CB 3.4Å; G5-A25 PolarHBondContact O-N 3.37Å; L7-A25 VanDerWaalsContact CD1-CA 3.47Å; L7-A25 HydrophobicContact CD1-CB 3.85Å; L7-A25 HydrophobicContact CD2-CB 3.88Å; L7-A25 HydrophobicContact CG-CB 3.7Å; A25-H51 PolarHBondContact O-CE1 3.24Å
26K89.4Confident89Confident161 Ų16145.3 Ų45.370%0.723%0.228SC*.SBendtrans-121155-179.9-65.1178.3-175.8171.10109.7F24 F28F24-K26 VanDerWaalsContact CB-O 3.31Å; F24-K26 WeakPolarHBondContact CB-O 3.49Å; F24-K26 PolarHBondContact O-N 2.95Å; K26-F28 PolarHBondContact O-N 3.5Å; K26-F28 VanDerWaalsContact O-N 3.1Å
27P90.9Very high89Confident72 Ų7241.2 Ų41.247%0.46821%0.208SC..  trans-47116.7168.9-32.740.5000111.4G49 H51P27-G49 VanDerWaalsContact CB-O 3.29Å; P27-G49 WeakPolarHBondContact CB-O 3.29Å; P27-H51 VanDerWaalsContact CD-CE1 3.5Å; P27-H51 WeakPolarHBondContact CD-CE1 3.37Å
28F90.6Very high88.6Confident12 Ų1242.5 Ų42.55%0.05321%0.212CC..  trans-89.9114.6-176.1-178.9-104000110.1F24 K26 G30 V32 G47 G49 S50 L53F24-F28 HydrophobicContact CB-CB 4.26Å; F24-F28 HydrophobicContact CD1-CB 4.31Å; F24-F28 AromaticContact CD1-CD2 3.95Å; F24-F28 HydrophobicContact CD1-CD2 3.95Å; F24-F28 HydrophobicContact CD1-CG 4.26Å; F24-F28 HydrophobicContact CD2-CB 3.62Å; F24-F28 HydrophobicContact CD2-CD2 4.49Å; F24-F28 AromaticContact CD2-CG 3.99Å; F24-F28 HydrophobicContact CD2-CG 3.99Å; F24-F28 AromaticContact CE1-CD2 3.76Å; F24-F28 HydrophobicContact CE1-CD2 3.76Å; F24-F28 HydrophobicContact CE1-CE2 4.05Å; F24-F28 HydrophobicContact CE1-CG 4.12Å; F24-F28 HydrophobicContact CE2-CB 3.97Å; F24-F28 HydrophobicContact CE2-CD1 4.01Å; F24-F28 HydrophobicContact CE2-CD2 4.33Å; F24-F28 AromaticContact CE2-CG 3.85Å; F24-F28 HydrophobicContact CE2-CG 3.85Å; F24-F28 HydrophobicContact CG-CB 3.81Å; F24-F28 HydrophobicContact CG-CD2 4.31Å; F24-F28 HydrophobicContact CG-CG 4.19Å; F24-F28 HydrophobicContact CZ-CB 4.46Å; F24-F28 HydrophobicContact CZ-CD1 4.11Å; F24-F28 AromaticContact CZ-CD2 3.97Å; F24-F28 HydrophobicContact CZ-CD2 3.97Å; F24-F28 HydrophobicContact CZ-CE1 4.36Å; F24-F28 HydrophobicContact CZ-CE2 4.21Å; F24-F28 AromaticContact CZ-CG 3.91Å; F24-F28 HydrophobicContact CZ-CG 3.91Å; F24-F28 HydrophobicContact CZ-CZ 4.39Å; K26-F28 PolarHBondContact O-N 3.5Å; K26-F28 VanDerWaalsContact O-N 3.1Å; F28-G30 VanDerWaalsContact CE1-C 3.5Å; F28-G30 VanDerWaalsContact CZ-C 3.42Å; F28-G30 VanDerWaalsContact CZ-CA 3.45Å; F28-V32 HydrophobicContact CE1-CG2 4.04Å; F28-V32 HydrophobicContact CZ-CG2 4.02Å; F28-G47 CarbonylContact O-C 3.53Å; F28-G47 WeakPolarHBondContact O-CA 3.32Å; F28-G49 WeakPolarHBondContact O-CA 3.44Å; F28-G49 PolarHBondContact O-N 2.79Å; F28-S50 PolarHBondContact N-O 3.26Å; F28-L53 HydrophobicContact CD1-CD2 4.19Å; F28-L53 HydrophobicContact CE1-CD2 3.91Å
29N89.8Confident88.3Confident88 Ų8851.1 Ų51.147%0.47125%0.252SS..  trans-112.410175.5-70.8-62.4000112.5G49 R93N29-G49 VanDerWaalsContact OD1-CA 3.26Å; N29-G49 WeakPolarHBondContact OD1-CA 3.42Å; N29-G49 PolarHBondContact OD1-N 2.85Å; N29-R93 WeakPolarHBondContact O-CG 3.44Å; N29-R93 PolarHBondContact O-NE 3.4Å
30G89.6Confident88Confident0 Ų052.3 Ų52.30%026%0.259CS..SBendtrans-79.4-158.2-179.800000112.7F28 G47 S90 P91F28-G30 VanDerWaalsContact CE1-C 3.5Å; F28-G30 VanDerWaalsContact CZ-C 3.42Å; F28-G30 VanDerWaalsContact CZ-CA 3.45Å; G30-G47 PolarHBondContact O-N 3.27Å; G30-S90 CarbonylContact C-O 3.5Å; G30-S90 VanDerWaalsContact CA-O 3.26Å; G30-S90 WeakPolarHBondContact CA-O 3.28Å; G30-P91 WeakPolarHBondContact CA-O 3.47Å
31I90.5Very high87.8Confident1 Ų156.7 Ų56.71%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-135.2142.4176.4-168.1168.6000110.3F33 R44 E46 S90 M92I31-F33 HydrophobicContact CG2-CD1 4.25Å; I31-R44 HydrophobicContact CD1-CB 4.32Å; I31-R44 VanDerWaalsContact CD1-NH2 3.25Å; I31-E46 HydrophobicContact CD1-CG 4.07Å; I31-E46 HydrophobicContact CG1-CG 4.21Å; I31-S90 PolarHBondContact N-O 3.37Å; I31-S90 PolarHBondContact O-N 3Å; I31-M92 WeakPolarHBondContact CG2-O 3.31Å
32V91.1Very high87.6Confident0 Ų059.4 Ų59.40%030%0.299CS..EExtended strand (participates in β ladder)trans-113.7134.7168.7-1710000108L22 F28 R44 W45 L53 L55 L87 V88 L89L22-V32 HydrophobicContact CD1-CG2 4.2Å; F28-V32 HydrophobicContact CE1-CG2 4.04Å; F28-V32 HydrophobicContact CZ-CG2 4.02Å; V32-R44 WeakPolarHBondContact O-CA 3.39Å; V32-W45 PolarHBondContact N-O 3.26Å; V32-W45 PolarHBondContact O-N 3.44Å; V32-L53 HydrophobicContact CB-CD2 4.27Å; V32-L53 HydrophobicContact CG2-CD2 3.59Å; V32-L55 HydrophobicContact CB-CD2 3.96Å; V32-L55 HydrophobicContact CG1-CD2 3.58Å; V32-L87 HydrophobicContact CG1-CB 4.14Å; V32-V88 WeakPolarHBondContact CA-O 3.36Å; V32-L89 HydrophobicContact CG1-CD1 4.15Å; V32-L89 HydrophobicContact CG1-CG 4.09Å; V32-L89 HydrophobicContact CG2-CG 3.95Å
33F89.1Confident87.6Confident12 Ų1259.4 Ų59.45%0.05330%0.299CS..EExtended strand (participates in β ladder)trans-144.3153.7177.960.2-88000111.2I31 Y38 C43 R44 V88 L96I31-F33 HydrophobicContact CG2-CD1 4.25Å; F33-Y38 HydrophobicContact CD1-CD2 4.01Å; F33-Y38 HydrophobicContact CD2-CD2 4.13Å; F33-Y38 HydrophobicContact CE1-CD2 4.07Å; F33-Y38 HydrophobicContact CE2-CD2 4.2Å; F33-Y38 HydrophobicContact CG-CD2 4.04Å; F33-Y38 HydrophobicContact CZ-CD2 4.17Å; F33-C43 VanDerWaalsContact CA-O 3.27Å; F33-C43 WeakPolarHBondContact CA-O 3.5Å; F33-R44 HydrophobicContact CB-CG 3.99Å; F33-V88 HydrophobicContact CD2-CB 4.31Å; F33-V88 HydrophobicContact CE1-CB 4.14Å; F33-V88 HydrophobicContact CE1-CG1 4.07Å; F33-V88 HydrophobicContact CE2-CB 3.8Å; F33-V88 HydrophobicContact CE2-CG1 4.2Å; F33-V88 HydrophobicContact CE2-CG2 4.19Å; F33-V88 HydrophobicContact CZ-CB 3.71Å; F33-V88 HydrophobicContact CZ-CG1 3.64Å; F33-V88 HydrophobicContact CZ-CG2 4.46Å; F33-V88 PolarHBondContact N-O 3.42Å; F33-V88 PolarHBondContact O-N 3.28Å; F33-L96 HydrophobicContact CE1-CD2 3.85Å; F33-L96 HydrophobicContact CZ-CD2 3.69Å
34A89.3Confident87.5Confident0 Ų059.7 Ų59.70%030%0.298CS..EExtended strand (participates in β ladder)trans-71.6137.7175.700000111.3K36 F37 C43 C69 V85 L87A34-K36 PolarHBondContact O-N 2.99Å; A34-F37 HydrophobicContact CB-CB 4.18Å; A34-F37 WeakPolarHBondContact O-CA 3.29Å; A34-F37 PolarHBondContact O-N 3.26Å; A34-C43 HydrophobicContact CB-CB 4.18Å; A34-C43 PolarHBondContact N-O 2.57Å; A34-C69 HydrophobicContact CB-CB 3.98Å; A34-C69 WeakPolarHBondContact CB-O 3.48Å; A34-V85 HydrophobicContact CB-CG2 4.25Å; A34-L87 HydrophobicContact CB-CD2 4.34Å
35N82.9Confident87.6Confident72 Ų7261.4 Ų61.439%0.38530%0.304SS..THydrogen-bonded Turntrans-55.7128-175.6-174.916.8000111.1F37 T86 V88N35-F37 VanDerWaalsContact O-CD2 3.23Å; N35-F37 WeakPolarHBondContact O-CD2 3.5Å; N35-F37 PolarHBondContact O-N 3.04Å; N35-T86 HydrophobicContact CB-CG2 4.16Å; N35-T86 VanDerWaalsContact CB-O 3.24Å; N35-T86 WeakPolarHBondContact CB-O 3.45Å; N35-T86 PolarHBondContact N-O 3.43Å; N35-V88 HydrophobicContact CB-CG2 4.16Å
36K79.7Confident87.7Confident182 Ų18263.9 Ų63.979%0.79131%0.307SS*.THydrogen-bonded Turntrans69.6-2.8-173.3-48.9172.8-175.9167.50116.2A34A34-K36 PolarHBondContact O-N 2.99Å
37F83.7Confident87.7Confident48 Ų4856.3 Ų56.321%0.21128%0.275CS..  trans-107.826.3179.3-68.8-92.9000113.2A34 N35 Q39 T40 C43 P67 G70A34-F37 HydrophobicContact CB-CB 4.18Å; A34-F37 WeakPolarHBondContact O-CA 3.29Å; A34-F37 PolarHBondContact O-N 3.26Å; N35-F37 VanDerWaalsContact O-CD2 3.23Å; N35-F37 WeakPolarHBondContact O-CD2 3.5Å; N35-F37 PolarHBondContact O-N 3.04Å; F37-Q39 PolarHBondContact O-N 3.21Å; F37-Q39 VanDerWaalsContact O-N 3.12Å; F37-T40 WeakPolarHBondContact O-CB 3.39Å; F37-T40 PolarHBondContact O-N 2.8Å; F37-C43 HydrophobicContact CB-CB 3.94Å; F37-P67 WeakPolarHBondContact CE1-O 3.47Å; F37-P67 HydrophobicContact CZ-CG 4.23Å; F37-P67 WeakPolarHBondContact CZ-O 3.34Å; F37-G70 VanDerWaalsContact CZ-N 3.34Å
38Y78.5Confident87.7Confident80 Ų8058.8 Ų58.831%0.31428%0.284SS..THydrogen-bonded Turntrans-56.6-29.5179.2177.5-97.7000114F33 T40 R44F33-Y38 HydrophobicContact CD1-CD2 4.01Å; F33-Y38 HydrophobicContact CD2-CD2 4.13Å; F33-Y38 HydrophobicContact CE1-CD2 4.07Å; F33-Y38 HydrophobicContact CE2-CD2 4.2Å; F33-Y38 HydrophobicContact CG-CD2 4.04Å; F33-Y38 HydrophobicContact CZ-CD2 4.17Å; Y38-T40 VanDerWaalsContact C-N 3.25Å; Y38-T40 PolarHBondContact O-N 2.91Å; Y38-R44 VanDerWaalsContact O-CD 3.23Å; Y38-R44 WeakPolarHBondContact O-CD 3.46Å
39Q81.9Confident87.7Confident181 Ų18159.4 Ų59.485%0.84629%0.293SS*.THydrogen-bonded Turntrans-83.3-2-179.7-64.2-178.4-1.400113.2F37 P41F37-Q39 PolarHBondContact O-N 3.21Å; F37-Q39 VanDerWaalsContact O-N 3.12Å; Q39-P41 WeakPolarHBondContact O-CD 3.22Å
40T85.2Confident87.8Confident34 Ų3457.4 Ų57.421%0.20929%0.286CS..  trans-104.3105.2-172.2-56.90000109.6F37 Y38 Q42 C43 R44F37-T40 WeakPolarHBondContact O-CB 3.39Å; F37-T40 PolarHBondContact O-N 2.8Å; Y38-T40 VanDerWaalsContact C-N 3.25Å; Y38-T40 PolarHBondContact O-N 2.91Å; T40-Q42 VanDerWaalsContact C-N 3.28Å; T40-Q42 HydrophobicContact CG2-CG 3.83Å; T40-Q42 PolarHBondContact O-N 3.41Å; T40-C43 HydrophobicContact CG2-CB 4.21Å; T40-C43 WeakPolarHBondContact CG2-SG 3.31Å; T40-C43 PolarHBondContact O-N 3.09Å; T40-R44 WeakPolarHBondContact O-CG 3.33Å
41P86.1Confident87.9Confident92 Ų9261.2 Ų61.260%0.59730%0.304SS*.G310 helixtrans-57.6-36.8-172.2-26.535.7000114.2Q39 C43 R44Q39-P41 WeakPolarHBondContact O-CD 3.22Å; P41-C43 PolarHBondContact O-N 3.33Å; P41-R44 PolarHBondContact O-N 3.41Å
42Q87.5Confident88Confident101 Ų10169.8 Ų69.847%0.47234%0.336SS..G310 helixtrans-70.2-10.5177.966.3-87.816.700114.5T40 Y68T40-Q42 VanDerWaalsContact C-N 3.28Å; T40-Q42 HydrophobicContact CG2-CG 3.83Å; T40-Q42 PolarHBondContact O-N 3.41Å; Q42-Y68 HydrophobicContact CG-CE2 3.78Å
43C90.2Very high88.1Confident1 Ų170.7 Ų70.71%0.00734%0.341CS..G310 helixtrans-10822.6177.3-52.10000111.5F33 A34 F37 T40 P41 W45 C69F33-C43 VanDerWaalsContact CA-O 3.27Å; F33-C43 WeakPolarHBondContact CA-O 3.5Å; A34-C43 HydrophobicContact CB-CB 4.18Å; A34-C43 PolarHBondContact N-O 2.57Å; F37-C43 HydrophobicContact CB-CB 3.94Å; T40-C43 HydrophobicContact CG2-CB 4.21Å; T40-C43 WeakPolarHBondContact CG2-SG 3.31Å; T40-C43 PolarHBondContact O-N 3.09Å; P41-C43 PolarHBondContact O-N 3.33Å; C43-W45 WeakPolarHBondContact O-CZ3 3.29Å; C43-C69 WeakPolarHBondContact CA-SG 3.29Å; C43-C69 HydrophobicContact CB-CB 3.7Å; C43-C69 WeakPolarHBondContact CB-SG 3.3Å; C43-C69 WeakPolarHBondContact SG-CA 3.25Å; C43-C69 WeakPolarHBondContact SG-CB 3.39Å; C43-C69 CovalentContact SG-SG 2.02Å; C43-C69 PolarHBondContact SG-SG 2.96Å
44R91Very high88.3Confident65 Ų6574.1 Ų74.125%0.24536%0.357CS..EExtended strand (participates in β ladder)trans-130.2134.3-179.2-63.7172.675.9-171.2-9.4109.2I31 V32 F33 Y38 T40 P41I31-R44 HydrophobicContact CD1-CB 4.32Å; I31-R44 VanDerWaalsContact CD1-NH2 3.25Å; V32-R44 WeakPolarHBondContact O-CA 3.39Å; F33-R44 HydrophobicContact CB-CG 3.99Å; Y38-R44 VanDerWaalsContact O-CD 3.23Å; Y38-R44 WeakPolarHBondContact O-CD 3.46Å; T40-R44 WeakPolarHBondContact O-CG 3.33Å; P41-R44 PolarHBondContact O-N 3.41Å
45W92.9Very high88.5Confident36 Ų3674.1 Ų74.114%0.13636%0.357CS..EExtended strand (participates in β ladder)trans-128.7113.8178.9-59.2-93.2000108.2V32 C43 L53 L55 L57 L87V32-W45 PolarHBondContact N-O 3.26Å; V32-W45 PolarHBondContact O-N 3.44Å; C43-W45 WeakPolarHBondContact O-CZ3 3.29Å; W45-L53 HydrophobicContact CB-CD1 4.47Å; W45-L53 HydrophobicContact CB-CD2 4.32Å; W45-L55 HydrophobicContact CB-CD2 4.15Å; W45-L55 HydrophobicContact CB-CG 4.22Å; W45-L55 HydrophobicContact CD2-CB 4.1Å; W45-L55 HydrophobicContact CD2-CD2 3.6Å; W45-L55 HydrophobicContact CD2-CG 3.99Å; W45-L55 HydrophobicContact CE3-CD2 3.49Å; W45-L55 VanDerWaalsContact CE3-CD2 3.49Å; W45-L55 HydrophobicContact CE3-CG 4.38Å; W45-L55 HydrophobicContact CG-CB 4.25Å; W45-L55 HydrophobicContact CG-CD2 3.9Å; W45-L55 HydrophobicContact CG-CG 3.9Å; W45-L55 HydrophobicContact CZ2-CB 4.48Å; W45-L55 HydrophobicContact CZ3-CD2 4.09Å; W45-L57 HydrophobicContact CH2-CD2 3.61Å; W45-L57 HydrophobicContact CH2-CG 4.09Å; W45-L57 HydrophobicContact CZ2-CD2 4.07Å; W45-L57 HydrophobicContact CZ2-CG 4.18Å; W45-L87 HydrophobicContact CZ3-CD2 4.17Å
46E91.8Very high88.9Confident104 Ų10477.1 Ų77.149%0.48636%0.363SS..EExtended strand (participates in β ladder)trans-88137.3179.6-65.6-175.2-170.400110.3I31 R93I31-E46 HydrophobicContact CD1-CG 4.07Å; I31-E46 HydrophobicContact CG1-CG 4.21Å; E46-R93 IonicContact OE2-NH1 3.75Å
47G90.3Very high89.3Confident2 Ų268.4 Ų68.42%0.02133%0.325CS..  trans-70.8128.317200000110.9F28 G30 G49 R93F28-G47 CarbonylContact O-C 3.53Å; F28-G47 WeakPolarHBondContact O-CA 3.32Å; G30-G47 PolarHBondContact O-N 3.27Å; G47-G49 VanDerWaalsContact C-N 3.31Å; G47-R93 PolarHBondContact O-NH2 3.44Å
48D90.9Very high89.5Confident123 Ų12367.9 Ų67.966%0.65833%0.327SS*.  trans-89.38179.165.8-13.1000113.4S50D48-S50 VanDerWaalsContact C-N 3.32Å; D48-S50 WeakPolarHBondContact OD1-CB 3.46Å; D48-S50 PolarHBondContact OD1-N 2.92Å
49G88.8Confident89.6Confident25 Ų2564.6 Ų64.626%0.25832%0.315SS..SBendtrans85.33.8-172.700000113.5P27 F28 N29 G47P27-G49 VanDerWaalsContact CB-O 3.29Å; P27-G49 WeakPolarHBondContact CB-O 3.29Å; F28-G49 WeakPolarHBondContact O-CA 3.44Å; F28-G49 PolarHBondContact O-N 2.79Å; N29-G49 VanDerWaalsContact OD1-CA 3.26Å; N29-G49 WeakPolarHBondContact OD1-CA 3.42Å; N29-G49 PolarHBondContact OD1-N 2.85Å; G47-G49 VanDerWaalsContact C-N 3.31Å
50S92.5Very high89.1Confident46 Ų4659.8 Ų59.832%0.32230%0.295SS..  trans-70162.4168.8-176.70000111.6F28 D48 R52F28-S50 PolarHBondContact N-O 3.26Å; D48-S50 VanDerWaalsContact C-N 3.32Å; D48-S50 WeakPolarHBondContact OD1-CB 3.46Å; D48-S50 PolarHBondContact OD1-N 2.92Å; S50-R52 WeakPolarHBondContact CB-O 3.26Å; S50-R52 PolarHBondContact OG-N 3.45Å; S50-R52 VanDerWaalsContact OG-N 3.07Å; S50-R52 PolarHBondContact OG-O 3.35Å
51H92.8Very high88.2Confident80 Ų8059.4 Ų59.437%0.3729%0.293SS..SBendtrans-81.9-2.3166.6-73.2-91.9000112.6H23 F24 A25 P27H23-H51 CarbonylContact C-O 3.2Å; H23-H51 WeakPolarHBondContact CA-O 3.28Å; H23-H51 PolarHBondContact ND1-O 3.49Å; F24-H51 PolarHBondContact N-O 2.92Å; F24-H51 PolarHBondContact O-ND1 3.49Å; A25-H51 PolarHBondContact O-CE1 3.24Å; P27-H51 VanDerWaalsContact CD-CE1 3.5Å; P27-H51 WeakPolarHBondContact CD-CE1 3.37Å
52R92.8Very high86.8Confident181 Ų18163.1 Ų63.168%0.68331%0.306SS*.EExtended strand (participates in β ladder)trans-133.6135.1-178.8-67.8-176.1178.3-173.9-3.2110L22 S50L22-R52 VanDerWaalsContact O-CA 3.29Å; L22-R52 WeakPolarHBondContact O-CA 3.28Å; S50-R52 WeakPolarHBondContact CB-O 3.26Å; S50-R52 PolarHBondContact OG-N 3.45Å; S50-R52 VanDerWaalsContact OG-N 3.07Å; S50-R52 PolarHBondContact OG-O 3.35Å
53L92.7Very high85.2Confident19 Ų1963.2 Ų63.210%0.09932%0.315CS..EExtended strand (participates in β ladder)trans-128.6124172.7-178.164.1000108.5L22 F24 F28 V32 W45 L55L22-L53 PolarHBondContact N-O 2.92Å; L22-L53 PolarHBondContact O-N 2.88Å; F24-L53 HydrophobicContact CE2-CB 3.96Å; F28-L53 HydrophobicContact CD1-CD2 4.19Å; F28-L53 HydrophobicContact CE1-CD2 3.91Å; V32-L53 HydrophobicContact CB-CD2 4.27Å; V32-L53 HydrophobicContact CG2-CD2 3.59Å; W45-L53 HydrophobicContact CB-CD1 4.47Å; W45-L53 HydrophobicContact CB-CD2 4.32Å; L53-L55 HydrophobicContact CG-CD1 4.29Å
54Q93Very high83.5Confident84 Ų8469.1 Ų69.139%0.39335%0.351SS..EExtended strand (participates in β ladder)trans-103.9130.2175.3-177.9170.283.200109.4T19 V20 D21T19-Q54 HydrophobicContact CG2-CG 3.68Å; V20-Q54 WeakPolarHBondContact O-CA 3.34Å; D21-Q54 VanDerWaalsContact OD1-CB 3.3Å; D21-Q54 WeakPolarHBondContact OD1-CB 3.33Å; D21-Q54 WeakPolarHBondContact OD1-CG 3.46Å; D21-Q54 PolarHBondContact OD1-NE2 3.36Å
55L92.4Very high81.8Confident0 Ų073.9 Ų73.90%037%0.374CS..EExtended strand (participates in β ladder)trans-113.6135.5177.4-52.588000108.5T19 V20 L22 V32 W45 L53 L87T19-L55 CarbonylContact C-O 3.59Å; T19-L55 WeakPolarHBondContact CA-O 3.36Å; V20-L55 HydrophobicContact CB-CB 4.23Å; V20-L55 HydrophobicContact CB-CD1 4.13Å; V20-L55 HydrophobicContact CG1-CD1 4.33Å; V20-L55 PolarHBondContact N-O 2.94Å; V20-L55 WeakPolarHBondContact O-CD1 3.31Å; V20-L55 PolarHBondContact O-N 3.23Å; L22-L55 HydrophobicContact CD1-CD1 3.6Å; L22-L55 HydrophobicContact CG-CD1 3.77Å; V32-L55 HydrophobicContact CB-CD2 3.96Å; V32-L55 HydrophobicContact CG1-CD2 3.58Å; W45-L55 HydrophobicContact CB-CD2 4.15Å; W45-L55 HydrophobicContact CB-CG 4.22Å; W45-L55 HydrophobicContact CD2-CB 4.1Å; W45-L55 HydrophobicContact CD2-CD2 3.6Å; W45-L55 HydrophobicContact CD2-CG 3.99Å; W45-L55 HydrophobicContact CE3-CD2 3.49Å; W45-L55 VanDerWaalsContact CE3-CD2 3.49Å; W45-L55 HydrophobicContact CE3-CG 4.38Å; W45-L55 HydrophobicContact CG-CB 4.25Å; W45-L55 HydrophobicContact CG-CD2 3.9Å; W45-L55 HydrophobicContact CG-CG 3.9Å; W45-L55 HydrophobicContact CZ2-CB 4.48Å; W45-L55 HydrophobicContact CZ3-CD2 4.09Å; L53-L55 HydrophobicContact CG-CD1 4.29Å; L55-L87 HydrophobicContact CD2-CD1 4.04Å
56R91.5Very high80Confident135 Ų13581 Ų8151%0.50941%0.409SS..EExtended strand (participates in β ladder)trans-121.2125177.1-64.8-176-170.2173.50.5109.8
57L89.5Confident78.6Confident0 Ų079.6 Ų79.60%041%0.409CS..EExtended strand (participates in β ladder)trans-122.794-175.6-74.3148.7000108.4E17 I18 V20 W45 L59 C69 V85E17-L57 CarbonylContact C-O 3.59Å; E17-L57 WeakPolarHBondContact CA-O 3.42Å; I18-L57 HydrophobicContact CB-CB 4.19Å; I18-L57 PolarHBondContact N-O 3.09Å; I18-L57 PolarHBondContact O-N 3.21Å; V20-L57 HydrophobicContact CG2-CD1 4.31Å; W45-L57 HydrophobicContact CH2-CD2 3.61Å; W45-L57 HydrophobicContact CH2-CG 4.09Å; W45-L57 HydrophobicContact CZ2-CD2 4.07Å; W45-L57 HydrophobicContact CZ2-CG 4.18Å; L57-L59 PolarHBondContact O-N 3.38Å; L57-C69 HydrophobicContact CD2-CB 3.9Å; L57-V85 HydrophobicContact CD1-CG1 3.81Å
58P86.6Confident77.9Confident36 Ų3681.7 Ų81.723%0.23442%0.416CS..EExtended strand (participates in β ladder)trans-61.2134.3175.923.3-34.8000111.4P61 Y68 L71P58-P61 HydrophobicContact CG-CB 4.49Å; P58-Y68 HydrophobicContact CG-CD1 4.31Å; P58-Y68 HydrophobicContact CG-CE1 3.51Å; P58-L71 WeakPolarHBondContact O-CD1 3.3Å
59L80.8Confident77.6Confident12 Ų1275.9 Ų75.96%0.06339%0.385CS..SBendtrans-77.3-38.8-179.9-67.8178.8000111.9N14 E16 I18 L57 P61 L71 Y83 Y109 I182N14-L59 WeakPolarHBondContact O-CD1 3.4Å; E16-L59 PolarHBondContact O-N 3.07Å; I18-L59 HydrophobicContact CD1-CD2 3.74Å; I18-L59 HydrophobicContact CG1-CD2 3.75Å; I18-L59 HydrophobicContact CG1-CG 4.3Å; L57-L59 PolarHBondContact O-N 3.38Å; L59-P61 VanDerWaalsContact C-CD 3.43Å; L59-P61 VanDerWaalsContact O-CD 3.25Å; L59-P61 WeakPolarHBondContact O-CD 3.39Å; L59-L71 HydrophobicContact CD2-CD1 4.44Å; L59-Y83 HydrophobicContact CD2-CD1 3.78Å; L59-Y83 HydrophobicContact CD2-CD2 4.43Å; L59-Y83 HydrophobicContact CD2-CE1 4.29Å; L59-Y83 HydrophobicContact CD2-CG 3.84Å; L59-Y109 HydrophobicContact CD1-CE2 4.46Å; L59-Y109 WeakPolarHBondContact CD1-OH 3.19Å; L59-I182 HydrophobicContact CB-CG2 3.78Å; L59-I182 HydrophobicContact CD1-CD1 4.14Å; L59-I182 HydrophobicContact CD1-CG2 3.87Å; L59-I182 HydrophobicContact CG-CG2 4.46Å
60N72.2Confident77.3Confident80 Ų8075.4 Ų75.443%0.42838%0.38SS..SBendtrans-12073.5-179.9-8910.5000112.6S181N60-S181 PolarHBondContact ND2-O 2.98Å
61P64.9Low77Confident26 Ų2674.2 Ų74.217%0.16937%0.37CS..PPolyproline II helixtrans-73.3130.9-179.227.6-31.4000111.7P58 L59 P63 T64 Y68P58-P61 HydrophobicContact CG-CB 4.49Å; L59-P61 VanDerWaalsContact C-CD 3.43Å; L59-P61 VanDerWaalsContact O-CD 3.25Å; L59-P61 WeakPolarHBondContact O-CD 3.39Å; P61-P63 CarbonylContact O-C 3.56Å; P61-T64 WeakPolarHBondContact O-CA 3.35Å; P61-T64 PolarHBondContact O-N 2.9Å; P61-Y68 HydrophobicContact CB-CD2 3.85Å; P61-Y68 HydrophobicContact CB-CE2 4.12Å; P61-Y68 HydrophobicContact CB-CG 4.12Å; P61-Y68 VanDerWaalsContact CG-CB 3.47Å; P61-Y68 HydrophobicContact CG-CD1 4.13Å; P61-Y68 HydrophobicContact CG-CD2 3.69Å; P61-Y68 HydrophobicContact CG-CE2 4.42Å; P61-Y68 HydrophobicContact CG-CG 3.52Å
62I58.2Low76.4Confident169 Ų16976.9 Ų76.987%0.86738%0.383SS*.SBendtrans-100.1125.9173.5-55170.2000108.2
63P53.2Low75.8Confident104 Ų10471.1 Ų71.168%0.67536%0.364SS*.SBendcis-76.6146.3-4.130.3-32.9000112.7P61 K65P61-P63 CarbonylContact O-C 3.56Å; P63-K65 PolarHBondContact O-N 2.91Å
64T55.3Low75.1Confident124 Ų12473.5 Ų73.576%0.76138%0.379SS*.  trans-5986.5-179.348.20000112P61P61-T64 WeakPolarHBondContact O-CA 3.35Å; P61-T64 PolarHBondContact O-N 2.9Å
65K53.7Low74Confident166 Ų16674.9 Ų74.972%0.72239%0.385SS*.  trans-96.898162.1-78.6-174.4177.1179.70107.6P63 Y68P63-K65 PolarHBondContact O-N 2.91Å; K65-Y68 PolarHBondContact O-N 3.34Å
66Q57.1Low72.7Confident185 Ų18581 Ų8186%0.86441%0.412SS*.SBendtrans-81.7144174.4-74.8-173.8-20.400111.5
67P60.6Low71.5Confident75 Ų7576.6 Ų76.649%0.48740%0.402SS..SBendcis-85.3123.7-1930.5-26.4000110.6F37 C69 G70F37-P67 WeakPolarHBondContact CE1-O 3.47Å; F37-P67 HydrophobicContact CZ-CG 4.23Å; F37-P67 WeakPolarHBondContact CZ-O 3.34Å; P67-C69 PolarHBondContact O-N 2.72Å; P67-G70 PolarHBondContact O-N 3.19Å
68Y76.5Confident70.4Confident45 Ų4580.2 Ų80.218%0.17642%0.419CS..G310 helixtrans-65.7122.2178.3177-94.7000110.1Q42 P58 P61 K65 G70 L71Q42-Y68 HydrophobicContact CG-CE2 3.78Å; P58-Y68 HydrophobicContact CG-CD1 4.31Å; P58-Y68 HydrophobicContact CG-CE1 3.51Å; P61-Y68 HydrophobicContact CB-CD2 3.85Å; P61-Y68 HydrophobicContact CB-CE2 4.12Å; P61-Y68 HydrophobicContact CB-CG 4.12Å; P61-Y68 VanDerWaalsContact CG-CB 3.47Å; P61-Y68 HydrophobicContact CG-CD1 4.13Å; P61-Y68 HydrophobicContact CG-CD2 3.69Å; P61-Y68 HydrophobicContact CG-CE2 4.42Å; P61-Y68 HydrophobicContact CG-CG 3.52Å; K65-Y68 PolarHBondContact O-N 3.34Å; Y68-G70 PolarHBondContact O-N 3.42Å; Y68-L71 HydrophobicContact CD1-CD1 4.1Å; Y68-L71 WeakPolarHBondContact O-CB 3.21Å; Y68-L71 WeakPolarHBondContact O-CG 3.46Å; Y68-L71 PolarHBondContact O-N 3.25Å
69C85Confident69.2Low2 Ų278.9 Ų78.91%0.01441%0.41CS..G310 helixtrans50.325.5-178.5-54.90000115.2A34 C43 L57 P67 L71 V85A34-C69 HydrophobicContact CB-CB 3.98Å; A34-C69 WeakPolarHBondContact CB-O 3.48Å; C43-C69 WeakPolarHBondContact CA-SG 3.29Å; C43-C69 HydrophobicContact CB-CB 3.7Å; C43-C69 WeakPolarHBondContact CB-SG 3.3Å; C43-C69 WeakPolarHBondContact SG-CA 3.25Å; C43-C69 WeakPolarHBondContact SG-CB 3.39Å; C43-C69 CovalentContact SG-SG 2.02Å; C43-C69 PolarHBondContact SG-SG 2.96Å; L57-C69 HydrophobicContact CD2-CB 3.9Å; P67-C69 PolarHBondContact O-N 2.72Å; C69-L71 VanDerWaalsContact C-N 3.27Å; C69-L71 PolarHBondContact O-N 2.88Å; C69-V85 WeakPolarHBondContact O-CG2 3.45Å
70G81.6Confident68.8Low15 Ų1580.5 Ų80.516%0.15542%0.419CS..G310 helixtrans69.523179.900000114.4F37 P67 Y68 E72F37-G70 VanDerWaalsContact CZ-N 3.34Å; P67-G70 PolarHBondContact O-N 3.19Å; Y68-G70 PolarHBondContact O-N 3.42Å; G70-E72 PolarHBondContact O-N 2.83Å
71L85.8Confident69Low20 Ų2076.8 Ų76.811%0.10540%0.4CS..PPolyproline II helixtrans-60.3116.6166.9-75.3164000109I18 P58 L59 Y68 C69 G84 V85I18-L71 HydrophobicContact CD1-CD2 3.99Å; P58-L71 WeakPolarHBondContact O-CD1 3.3Å; L59-L71 HydrophobicContact CD2-CD1 4.44Å; Y68-L71 HydrophobicContact CD1-CD1 4.1Å; Y68-L71 WeakPolarHBondContact O-CB 3.21Å; Y68-L71 WeakPolarHBondContact O-CG 3.46Å; Y68-L71 PolarHBondContact O-N 3.25Å; C69-L71 VanDerWaalsContact C-N 3.27Å; C69-L71 PolarHBondContact O-N 2.88Å; L71-G84 WeakPolarHBondContact CA-O 3.34Å; L71-V85 HydrophobicContact CD2-CB 3.89Å; L71-V85 HydrophobicContact CD2-CG1 4.17Å
72E81.4Confident69.7Low137 Ų13778 Ų7864%0.6440%0.403SS*.EExtended strand (participates in β ladder)trans-99.1129.4174.6-68.1-179.6175.900108.4G70 Y83 G84G70-E72 PolarHBondContact O-N 2.83Å; E72-Y83 WeakPolarHBondContact O-CA 3.34Å; E72-G84 PolarHBondContact N-O 3Å; E72-G84 PolarHBondContact O-N 3.27Å
73H80.8Confident71Confident60 Ų6070.5 Ų70.528%0.27836%0.364SS..EExtended strand (participates in β ladder)trans-103.5124175.2-177.2-129.8000109E75 Y83 L261H73-E75 WeakPolarHBondContact CE1-CG 3.45Å; H73-E75 IonicContact CE1-OE1 3.88Å; H73-E75 PolarHBondContact CE1-OE1 3.45Å; H73-E75 IonicContact ND1-OE1 2.61Å; H73-E75 PolarHBondContact ND1-OE1 3.02Å; H73-Y83 HydrophobicContact CB-CD1 4.22Å; H73-Y83 HydrophobicContact CB-CE1 3.88Å; H73-Y83 AromaticContact CD2-CD1 3.95Å; H73-Y83 AromaticContact CD2-CD2 3.85Å; H73-Y83 AromaticContact CD2-CE1 3.5Å; H73-Y83 VanDerWaalsContact CD2-CE1 3.5Å; H73-Y83 WeakPolarHBondContact CD2-CE1 3.35Å; H73-Y83 AromaticContact CD2-CE2 3.4Å; H73-Y83 WeakPolarHBondContact CD2-CE2 3.25Å; H73-Y83 AromaticContact CD2-CZ 3.19Å; H73-Y83 PolarHBondContact CD2-OH 2.89Å; H73-Y83 AromaticContact CG-CE1 3.85Å; H73-Y83 AromaticContact CG-CZ 3.87Å; H73-Y83 AromaticContact NE2-CE2 3.64Å; H73-Y83 AromaticContact NE2-CZ 3.58Å; H73-Y83 PolarHBondContact NE2-OH 2.86Å; H73-L261 WeakPolarHBondContact NE2-CD2 3.46Å
74T76.5Confident72.5Confident68 Ų6866.2 Ų66.242%0.41734%0.339SS..EExtended strand (participates in β ladder)trans-116.2107.4176-54.10000108.6F76 G81 E82T74-F76 HydrophobicContact CG2-CD1 4.31Å; T74-F76 HydrophobicContact CG2-CE1 3.78Å; T74-F76 HydrophobicContact CG2-CZ 4.03Å; T74-G81 CarbonylContact O-C 3.59Å; T74-G81 VanDerWaalsContact O-CA 3.27Å; T74-G81 WeakPolarHBondContact O-CA 3.15Å; T74-E82 PolarHBondContact N-O 2.96Å; T74-E82 PolarHBondContact O-N 3.43Å
75E70.3Confident74Confident113 Ų11360.5 Ų60.553%0.52830%0.304SS..EExtended strand (participates in β ladder)trans-84.3119.8174.2-68.7171.9-159.600109.3H73H73-E75 WeakPolarHBondContact CE1-CG 3.45Å; H73-E75 IonicContact CE1-OE1 3.88Å; H73-E75 PolarHBondContact CE1-OE1 3.45Å; H73-E75 IonicContact ND1-OE1 2.61Å; H73-E75 PolarHBondContact ND1-OE1 3.02Å
76F66.2Low75.5Confident128 Ų12854.8 Ų54.856%0.56128%0.283SS*.SBendtrans-91.7-33.3171.3-56-67.5000111.1T74 D80 E82T74-F76 HydrophobicContact CG2-CD1 4.31Å; T74-F76 HydrophobicContact CG2-CE1 3.78Å; T74-F76 HydrophobicContact CG2-CZ 4.03Å; F76-D80 PolarHBondContact N-O 3.03Å; F76-E82 HydrophobicContact CE2-CB 3.79Å; F76-E82 VanDerWaalsContact CE2-CD 3.43Å; F76-E82 HydrophobicContact CE2-CG 3.58Å; F76-E82 HydrophobicContact CZ-CB 4.22Å; F76-E82 HydrophobicContact CZ-CG 4.16Å
77S65.3Low76.9Confident44 Ų4446 Ų4631%0.30824%0.242SC..SBendtrans-145177.1178.2-179.30000109.8T79 D80S77-T79 PolarHBondContact O-N 3.08Å; S77-T79 PolarHBondContact OG-OG1 3.5Å; S77-D80 PolarHBondContact N-O 3.36Å
78Q65.3Low78.1Confident75 Ų7543.5 Ų43.535%0.3523%0.225SC..SBendtrans-66.3-24.5169.7-73.3-178.753.100112.3R258 C260 L261Q78-R258 VanDerWaalsContact NE2-NH2 3.12Å; Q78-C260 CarbonylContact O-C 3.46Å; Q78-C260 VanDerWaalsContact O-CA 3.26Å; Q78-C260 WeakPolarHBondContact O-CA 3.25Å; Q78-L261 PolarHBondContact O-N 2.79Å
79T63.3Low78.6Confident8 Ų841.3 Ų41.35%0.04922%0.216CC..SBendtrans-100.7-28-178.752.40000112.9S77 M111S77-T79 PolarHBondContact O-N 3.08Å; S77-T79 PolarHBondContact OG-OG1 3.5Å; T79-M111 WeakPolarHBondContact O-CG 3.3Å
80D72Confident78.6Confident46 Ų4641.2 Ų41.225%0.24622%0.216CC..  trans-117.8134-168.6-51.5-20.4000110.8F76 S77 N110F76-D80 PolarHBondContact N-O 3.03Å; S77-D80 PolarHBondContact N-O 3.36Å; D80-N110 PolarHBondContact OD1-OD1 3.42Å
81G75.4Confident78.6Confident2 Ų242.5 Ų42.52%0.02122%0.221CC..EExtended strand (participates in β ladder)trans-161.7168.9176.600000113.3T74 Y109 L261T74-G81 CarbonylContact O-C 3.59Å; T74-G81 VanDerWaalsContact O-CA 3.27Å; T74-G81 WeakPolarHBondContact O-CA 3.15Å; G81-Y109 PolarHBondContact N-O 3.01Å; G81-Y109 PolarHBondContact O-N 3.38Å; G81-L261 VanDerWaalsContact CA-CD2 3.5Å
82E81Confident78.3Confident51 Ų5145.2 Ų45.224%0.23823%0.234CC..EExtended strand (participates in β ladder)trans-124.9134.1178.9-90173-155.300110.4T74 F76 C107 A108T74-E82 PolarHBondContact N-O 2.96Å; T74-E82 PolarHBondContact O-N 3.43Å; F76-E82 HydrophobicContact CE2-CB 3.79Å; F76-E82 VanDerWaalsContact CE2-CD 3.43Å; F76-E82 HydrophobicContact CE2-CG 3.58Å; F76-E82 HydrophobicContact CZ-CB 4.22Å; F76-E82 HydrophobicContact CZ-CG 4.16Å; E82-C107 VanDerWaalsContact CA-O 3.31Å; E82-C107 WeakPolarHBondContact CA-O 3.3Å; E82-A108 HydrophobicContact CG-CB 3.93Å
83Y84.1Confident78.1Confident13 Ų1343 Ų435%0.05122%0.22CC..EExtended strand (participates in β ladder)trans-100.4129163.9-74.7-90.1000109.2L59 E72 H73 R106 C107 Y109 I182 L261 Q262L59-Y83 HydrophobicContact CD2-CD1 3.78Å; L59-Y83 HydrophobicContact CD2-CD2 4.43Å; L59-Y83 HydrophobicContact CD2-CE1 4.29Å; L59-Y83 HydrophobicContact CD2-CG 3.84Å; E72-Y83 WeakPolarHBondContact O-CA 3.34Å; H73-Y83 HydrophobicContact CB-CD1 4.22Å; H73-Y83 HydrophobicContact CB-CE1 3.88Å; H73-Y83 AromaticContact CD2-CD1 3.95Å; H73-Y83 AromaticContact CD2-CD2 3.85Å; H73-Y83 AromaticContact CD2-CE1 3.5Å; H73-Y83 VanDerWaalsContact CD2-CE1 3.5Å; H73-Y83 WeakPolarHBondContact CD2-CE1 3.35Å; H73-Y83 AromaticContact CD2-CE2 3.4Å; H73-Y83 WeakPolarHBondContact CD2-CE2 3.25Å; H73-Y83 AromaticContact CD2-CZ 3.19Å; H73-Y83 PolarHBondContact CD2-OH 2.89Å; H73-Y83 AromaticContact CG-CE1 3.85Å; H73-Y83 AromaticContact CG-CZ 3.87Å; H73-Y83 AromaticContact NE2-CE2 3.64Å; H73-Y83 AromaticContact NE2-CZ 3.58Å; H73-Y83 PolarHBondContact NE2-OH 2.86Å; Y83-R106 CarbonylContact O-C 3.57Å; Y83-R106 VanDerWaalsContact O-CA 3.3Å; Y83-R106 WeakPolarHBondContact O-CA 3.23Å; Y83-C107 PolarHBondContact N-O 3.44Å; Y83-C107 PolarHBondContact O-N 3.37Å; Y83-Y109 AromaticContact CD2-CD2 3.73Å; Y83-Y109 HydrophobicContact CD2-CD2 3.73Å; Y83-Y109 AromaticContact CD2-CE2 3.53Å; Y83-Y109 HydrophobicContact CD2-CE2 3.53Å; Y83-Y109 HydrophobicContact CE2-CD2 4.28Å; Y83-Y109 HydrophobicContact CE2-CE2 4.26Å; Y83-Y109 HydrophobicContact CG-CE2 4.38Å; Y83-I182 HydrophobicContact CE2-CD1 4.43Å; Y83-L261 HydrophobicContact CE2-CD1 4.44Å; Y83-Q262 PolarHBondContact OH-NE2 3.03Å
84G84.1Confident77.8Confident14 Ų1446.6 Ų46.614%0.14424%0.241CC..EExtended strand (participates in β ladder)trans-128.9141.3-179.100000112.3L71 E72 V105L71-G84 WeakPolarHBondContact CA-O 3.34Å; E72-G84 PolarHBondContact N-O 3Å; E72-G84 PolarHBondContact O-N 3.27Å; G84-V105 CarbonylContact C-O 3.51Å; G84-V105 WeakPolarHBondContact CA-O 3.42Å
85V86.9Confident77.5Confident4 Ų448.4 Ų48.42%0.02425%0.248CC..EExtended strand (participates in β ladder)trans-140.6145.5168.2630000109.8A34 L57 C69 L71 L87 V105A34-V85 HydrophobicContact CB-CG2 4.25Å; L57-V85 HydrophobicContact CD1-CG1 3.81Å; C69-V85 WeakPolarHBondContact O-CG2 3.45Å; L71-V85 HydrophobicContact CD2-CB 3.89Å; L71-V85 HydrophobicContact CD2-CG1 4.17Å; V85-L87 HydrophobicContact CG2-CD2 4.39Å; V85-V105 HydrophobicContact CG1-CB 4.09Å; V85-V105 PolarHBondContact N-O 3.47Å; V85-V105 PolarHBondContact O-N 3.07Å
86T85.6Confident77.3Confident46 Ų4648.2 Ų48.228%0.28225%0.25SC..EExtended strand (participates in β ladder)trans-105.2122171.9-57.60000109.3N35 T104N35-T86 HydrophobicContact CB-CG2 4.16Å; N35-T86 VanDerWaalsContact CB-O 3.24Å; N35-T86 WeakPolarHBondContact CB-O 3.45Å; N35-T86 PolarHBondContact N-O 3.43Å; T86-T104 PolarHBondContact OG1-OG1 3.25Å
87L88Confident77.1Confident0 Ų044.2 Ų44.20%024%0.236CC..EExtended strand (participates in β ladder)trans-97.7148.8175.1-58.4175000109.5V20 V32 A34 W45 L55 V85 L89 G102 L103 V105V20-L87 HydrophobicContact CG1-CD1 4.41Å; V20-L87 HydrophobicContact CG2-CD1 4.4Å; V32-L87 HydrophobicContact CG1-CB 4.14Å; A34-L87 HydrophobicContact CB-CD2 4.34Å; W45-L87 HydrophobicContact CZ3-CD2 4.17Å; L55-L87 HydrophobicContact CD2-CD1 4.04Å; V85-L87 HydrophobicContact CG2-CD2 4.39Å; L87-L89 HydrophobicContact CB-CD1 4.38Å; L87-G102 CarbonylContact O-C 3.37Å; L87-L103 HydrophobicContact CB-CB 4.44Å; L87-L103 PolarHBondContact N-O 3.01Å; L87-L103 PolarHBondContact O-N 3.37Å; L87-V105 HydrophobicContact CD1-CG2 4.07Å
88V84.7Confident76.9Confident22 Ų2251.2 Ų51.213%0.13326%0.264CS..EExtended strand (participates in β ladder)trans-120.4121.2174.3-178.20000107.7V32 F33 N35 M100V32-V88 WeakPolarHBondContact CA-O 3.36Å; F33-V88 HydrophobicContact CD2-CB 4.31Å; F33-V88 HydrophobicContact CE1-CB 4.14Å; F33-V88 HydrophobicContact CE1-CG1 4.07Å; F33-V88 HydrophobicContact CE2-CB 3.8Å; F33-V88 HydrophobicContact CE2-CG1 4.2Å; F33-V88 HydrophobicContact CE2-CG2 4.19Å; F33-V88 HydrophobicContact CZ-CB 3.71Å; F33-V88 HydrophobicContact CZ-CG1 3.64Å; F33-V88 HydrophobicContact CZ-CG2 4.46Å; F33-V88 PolarHBondContact N-O 3.42Å; F33-V88 PolarHBondContact O-N 3.28Å; N35-V88 HydrophobicContact CB-CG2 4.16Å; V88-M100 HydrophobicContact CG1-CB 4.37Å; V88-M100 HydrophobicContact CG1-SD 4.04Å
89L87.8Confident76.9Confident0 Ų049 Ų490%026%0.261CS..EExtended strand (participates in β ladder)trans-99119179.3-68.472000107.9T4 L6 L22 F24 V32 L87 M100 E101 L103T4-L89 HydrophobicContact CG2-CB 4.3Å; L6-L89 HydrophobicContact CD2-CD2 4.12Å; L22-L89 HydrophobicContact CD1-CD2 4.01Å; L22-L89 HydrophobicContact CD1-CG 4.45Å; F24-L89 HydrophobicContact CE1-CD2 4.21Å; F24-L89 HydrophobicContact CZ-CD2 4.37Å; V32-L89 HydrophobicContact CG1-CD1 4.15Å; V32-L89 HydrophobicContact CG1-CG 4.09Å; V32-L89 HydrophobicContact CG2-CG 3.95Å; L87-L89 HydrophobicContact CB-CD1 4.38Å; L89-M100 VanDerWaalsContact O-CA 3.28Å; L89-M100 WeakPolarHBondContact O-CA 3.49Å; L89-E101 HydrophobicContact CB-CB 4.47Å; L89-E101 PolarHBondContact N-O 3.31Å; L89-E101 PolarHBondContact O-N 3.49Å; L89-E101 VanDerWaalsContact O-N 3.11Å; L89-L103 HydrophobicContact CD1-CB 3.74Å; L89-L103 HydrophobicContact CD1-CD2 4.43Å
90S83.5Confident77.3Confident0 Ų052.4 Ų52.40%028%0.277CS..EExtended strand (participates in β ladder)trans-111.8130.3173.9178.70000110.1G30 I31 M92 L95G30-S90 CarbonylContact C-O 3.5Å; G30-S90 VanDerWaalsContact CA-O 3.26Å; G30-S90 WeakPolarHBondContact CA-O 3.28Å; I31-S90 PolarHBondContact N-O 3.37Å; I31-S90 PolarHBondContact O-N 3Å; S90-M92 WeakPolarHBondContact CB-O 3.41Å; S90-M92 PolarHBondContact O-N 3.46Å; S90-M92 VanDerWaalsContact O-N 3.16Å; S90-M92 PolarHBondContact OG-N 3.36Å; S90-M92 PolarHBondContact OG-O 2.95Å; S90-L95 PolarHBondContact OG-O 2.93Å
91P81.9Confident77.5Confident41 Ų4153 Ų5327%0.26628%0.279SS..SBendtrans-67.5-11.5176.128.3-34.3000113.1G30 V97G30-P91 WeakPolarHBondContact CA-O 3.47Å; P91-V97 HydrophobicContact CG-CG2 3.79Å
92M80.3Confident77.7Confident78 Ų7854.5 Ų54.538%0.38429%0.294SS..SBendtrans-126.1143.7177.1-68.3-160.7-69.700112.3I31 S90 L95 V97I31-M92 WeakPolarHBondContact CG2-O 3.31Å; S90-M92 WeakPolarHBondContact CB-O 3.41Å; S90-M92 PolarHBondContact O-N 3.46Å; S90-M92 VanDerWaalsContact O-N 3.16Å; S90-M92 PolarHBondContact OG-N 3.36Å; S90-M92 PolarHBondContact OG-O 2.95Å; M92-L95 HydrophobicContact CB-CB 4.4Å; M92-L95 HydrophobicContact CE-CB 3.7Å; M92-L95 HydrophobicContact CE-CD1 3.94Å; M92-L95 HydrophobicContact CE-CG 4.49Å; M92-L95 HydrophobicContact SD-CD1 4.35Å; M92-V97 HydrophobicContact CE-CB 3.85Å; M92-V97 HydrophobicContact CE-CG1 3.02Å; M92-V97 HydrophobicContact CE-CG2 3.57Å; M92-V97 HydrophobicContact CG-CG2 4.5Å
93R77.9Confident77.8Confident91 Ų9152.2 Ų52.234%0.34328%0.284SS..SBendtrans-69.2-44.9-174.6-59.8-172.4-177.8-175.61.5114.1N29 E46 G47N29-R93 WeakPolarHBondContact O-CG 3.44Å; N29-R93 PolarHBondContact O-NE 3.4Å; E46-R93 IonicContact OE2-NH1 3.75Å; G47-R93 PolarHBondContact O-NH2 3.44Å
94D73.6Confident77.8Confident134 Ų13452.8 Ų52.872%0.71729%0.289SS*.SBendtrans-108.4-4.5-168.5-58.3-46.4000113.8
95L71Confident77.9Confident107 Ų10752.1 Ų52.156%0.5628%0.282SS*.  trans-129.9123.9-174.7-69.9170.4000109.5S90 M92 V97S90-L95 PolarHBondContact OG-O 2.93Å; M92-L95 HydrophobicContact CB-CB 4.4Å; M92-L95 HydrophobicContact CE-CB 3.7Å; M92-L95 HydrophobicContact CE-CD1 3.94Å; M92-L95 HydrophobicContact CE-CG 4.49Å; M92-L95 HydrophobicContact SD-CD1 4.35Å; L95-V97 HydrophobicContact CB-CG1 4.32Å; L95-V97 PolarHBondContact O-N 3.3Å
96L64.8Low77.8Confident108 Ų10857.1 Ų57.157%0.56530%0.3SS*.  trans-77.6115.1165.1-59176.5000107.3F33 M100F33-L96 HydrophobicContact CE1-CD2 3.85Å; F33-L96 HydrophobicContact CZ-CD2 3.69Å; L96-M100 HydrophobicContact CB-CE 4.14Å; L96-M100 HydrophobicContact CB-SD 3.92Å; L96-M100 HydrophobicContact CD2-SD 3.55Å; L96-M100 VanDerWaalsContact CD2-SD 3.55Å; L96-M100 HydrophobicContact CG-SD 4.26Å
97V62.4Low77.8Confident44 Ų4454.9 Ų54.927%0.26729%0.287SS..  trans-119.9163.8-178.1-80.10000112.6P91 M92 L95 G99 M100P91-V97 HydrophobicContact CG-CG2 3.79Å; M92-V97 HydrophobicContact CE-CB 3.85Å; M92-V97 HydrophobicContact CE-CG1 3.02Å; M92-V97 HydrophobicContact CE-CG2 3.57Å; M92-V97 HydrophobicContact CG-CG2 4.5Å; L95-V97 HydrophobicContact CB-CG1 4.32Å; L95-V97 PolarHBondContact O-N 3.3Å; V97-G99 PolarHBondContact O-N 2.94Å; V97-M100 WeakPolarHBondContact O-CG 3.2Å; V97-M100 PolarHBondContact O-N 3.34Å
98E61.4Low77.5Confident192 Ų19256.3 Ų56.390%0.89730%0.298SS*.THydrogen-bonded Turntrans-60.1129.3166.6-166175.3-169.700109.8
99G65.9Low77.1Confident29 Ų2955.4 Ų55.430%0.29929%0.293SS..THydrogen-bonded Turntrans107.57.8-170.300000114.9G2 T4 V97G2-G99 WeakPolarHBondContact O-CA 3.32Å; T4-G99 WeakPolarHBondContact CG2-O 3.47Å; V97-G99 PolarHBondContact O-N 2.94Å
100M70.7Confident76.4Confident78 Ų7858.6 Ų58.638%0.38431%0.31SS..  trans-64.6141165.7-71.8-179.4-58.800110.9V88 L89 L96 V97V88-M100 HydrophobicContact CG1-CB 4.37Å; V88-M100 HydrophobicContact CG1-SD 4.04Å; L89-M100 VanDerWaalsContact O-CA 3.28Å; L89-M100 WeakPolarHBondContact O-CA 3.49Å; L96-M100 HydrophobicContact CB-CE 4.14Å; L96-M100 HydrophobicContact CB-SD 3.92Å; L96-M100 HydrophobicContact CD2-SD 3.55Å; L96-M100 VanDerWaalsContact CD2-SD 3.55Å; L96-M100 HydrophobicContact CG-SD 4.26Å; V97-M100 WeakPolarHBondContact O-CG 3.2Å; V97-M100 PolarHBondContact O-N 3.34Å
101E76.6Confident75.5Confident59 Ų5958.8 Ų58.828%0.27631%0.31SS..EExtended strand (participates in β ladder)trans-109.8133.2171.7-75.7170.9-143.600109.3T4 L89T4-E101 WeakPolarHBondContact CB-OE1 3.29Å; T4-E101 HydrophobicContact CG2-CB 4.09Å; T4-E101 HydrophobicContact CG2-CG 3.9Å; T4-E101 WeakPolarHBondContact CG2-OE1 3.29Å; T4-E101 PolarHBondContact N-OE1 2.89Å; T4-E101 PolarHBondContact OG1-OE1 3.3Å; T4-E101 PolarHBondContact OG1-OE2 3.09Å; T4-E101 VanDerWaalsContact OG1-OE2 3.07Å; L89-E101 HydrophobicContact CB-CB 4.47Å; L89-E101 PolarHBondContact N-O 3.31Å; L89-E101 PolarHBondContact O-N 3.49Å; L89-E101 VanDerWaalsContact O-N 3.11Å
102G79.9Confident74.5Confident34 Ų3460.2 Ų60.235%0.35132%0.316SS..EExtended strand (participates in β ladder)trans-74.8151.7159.600000108.6L87 D136L87-G102 CarbonylContact O-C 3.37Å; G102-D136 VanDerWaalsContact C-OD1 3.31Å
103L82.7Confident73.2Confident2 Ų262.6 Ų62.61%0.0133%0.33CS..EExtended strand (participates in β ladder)trans-143.5115.8166.6174.363000107.8L22 L87 L89 V105 D136 V138L22-L103 HydrophobicContact CD2-CD2 3.69Å; L87-L103 HydrophobicContact CB-CB 4.44Å; L87-L103 PolarHBondContact N-O 3.01Å; L87-L103 PolarHBondContact O-N 3.37Å; L89-L103 HydrophobicContact CD1-CB 3.74Å; L89-L103 HydrophobicContact CD1-CD2 4.43Å; L103-V105 HydrophobicContact CD2-CG2 4.36Å; L103-V105 HydrophobicContact CG-CG2 4.24Å; L103-D136 WeakPolarHBondContact CA-OD1 3.26Å; L103-V138 HydrophobicContact CD1-CG2 3.86Å
104T84Confident72Confident26 Ų2659 Ų5916%0.1632%0.318CS..EExtended strand (participates in β ladder)trans-92.9121.5173.7-60.60000109.9T86 R106 D136 V137 V138T86-T104 PolarHBondContact OG1-OG1 3.25Å; T104-R106 HydrophobicContact CG2-CG 4.23Å; T104-D136 PolarHBondContact N-O 3.05Å; T104-V137 HydrophobicContact CG2-CG1 4.43Å; T104-V137 VanDerWaalsContact O-CA 3.3Å; T104-V137 WeakPolarHBondContact O-CA 3.43Å; T104-V138 PolarHBondContact O-N 2.88Å
105V86.6Confident71.1Confident0 Ų056.8 Ų56.80%031%0.309CS..EExtended strand (participates in β ladder)trans-102.2132.9174.9174.50000108.4V11 I18 V20 G84 V85 L87 L103 V138V11-V105 HydrophobicContact CB-CG1 4.38Å; V11-V105 HydrophobicContact CG1-CG1 3.68Å; V11-V105 HydrophobicContact CG2-CG1 3.7Å; V11-V105 HydrophobicContact CG2-CG2 4.16Å; I18-V105 HydrophobicContact CG2-CG1 3.97Å; V20-V105 HydrophobicContact CG1-CG2 4.18Å; V20-V105 HydrophobicContact CG2-CB 4.46Å; V20-V105 HydrophobicContact CG2-CG1 3.99Å; V20-V105 HydrophobicContact CG2-CG2 3.91Å; G84-V105 CarbonylContact C-O 3.51Å; G84-V105 WeakPolarHBondContact CA-O 3.42Å; V85-V105 HydrophobicContact CG1-CB 4.09Å; V85-V105 PolarHBondContact N-O 3.47Å; V85-V105 PolarHBondContact O-N 3.07Å; L87-V105 HydrophobicContact CD1-CG2 4.07Å; L103-V105 HydrophobicContact CD2-CG2 4.36Å; L103-V105 HydrophobicContact CG-CG2 4.24Å; V105-V138 WeakPolarHBondContact CA-O 3.38Å
106R84.8Confident70Confident108 Ų10854.9 Ų54.941%0.40830%0.299SS..EExtended strand (participates in β ladder)trans-129.1141.8174.9-67.1-174176.5156.4-1.2110.2Y83 T104 V137 V138 T139 G140Y83-R106 CarbonylContact O-C 3.57Å; Y83-R106 VanDerWaalsContact O-CA 3.3Å; Y83-R106 WeakPolarHBondContact O-CA 3.23Å; T104-R106 HydrophobicContact CG2-CG 4.23Å; R106-V137 HydrophobicContact CG-CG1 4.18Å; R106-V138 PolarHBondContact N-O 2.94Å; R106-T139 HydrophobicContact CB-CG2 4.25Å; R106-T139 CarbonylContact O-C 3.21Å; R106-T139 WeakPolarHBondContact O-CA 3.24Å; R106-G140 PolarHBondContact O-N 3.36Å
107C84.5Confident69.1Low0 Ų053.1 Ų53.10%029%0.293CS..EExtended strand (participates in β ladder)trans-122114171.1-73.70000107.9C13 I18 E82 Y83 Y109 G140C13-C107 HydrophobicContact CB-CB 3.66Å; C13-C107 WeakPolarHBondContact CB-SG 3.29Å; C13-C107 VanDerWaalsContact SG-CA 3.53Å; C13-C107 WeakPolarHBondContact SG-CB 3.38Å; C13-C107 CovalentContact SG-SG 2.02Å; C13-C107 PolarHBondContact SG-SG 3.48Å; I18-C107 HydrophobicContact CD1-CB 4.07Å; I18-C107 VanDerWaalsContact CD1-SG 3.56Å; I18-C107 HydrophobicContact CG1-CB 4.39Å; I18-C107 VanDerWaalsContact CG1-SG 3.52Å; I18-C107 VanDerWaalsContact CG2-SG 3.58Å; E82-C107 VanDerWaalsContact CA-O 3.31Å; E82-C107 WeakPolarHBondContact CA-O 3.3Å; Y83-C107 PolarHBondContact N-O 3.44Å; Y83-C107 PolarHBondContact O-N 3.37Å; C107-Y109 HydrophobicContact CB-CD2 4.41Å; C107-Y109 HydrophobicContact CB-CE2 3.57Å; C107-G140 WeakPolarHBondContact CA-O 3.21Å
108A81.6Confident68Low30 Ų3057.3 Ų57.325%0.24831%0.313CS..EExtended strand (participates in β ladder)trans-90.3125.4174.800000109E82 T139 G140 G142E82-A108 HydrophobicContact CG-CB 3.93Å; A108-T139 HydrophobicContact CB-CG2 4.43Å; A108-G140 PolarHBondContact N-O 2.91Å; A108-G142 PolarHBondContact O-N 3.15Å
109Y77.2Confident66.9Low3 Ų353.7 Ų53.71%0.01231%0.306CS..EExtended strand (participates in β ladder)trans-108.9111.8174.7-64.7-89.2000107.5N14 L59 G81 Y83 C107 G142 I182 Y183N14-Y109 PolarHBondContact O-OH 3.42Å; L59-Y109 HydrophobicContact CD1-CE2 4.46Å; L59-Y109 WeakPolarHBondContact CD1-OH 3.19Å; G81-Y109 PolarHBondContact N-O 3.01Å; G81-Y109 PolarHBondContact O-N 3.38Å; Y83-Y109 AromaticContact CD2-CD2 3.73Å; Y83-Y109 HydrophobicContact CD2-CD2 3.73Å; Y83-Y109 AromaticContact CD2-CE2 3.53Å; Y83-Y109 HydrophobicContact CD2-CE2 3.53Å; Y83-Y109 HydrophobicContact CE2-CD2 4.28Å; Y83-Y109 HydrophobicContact CE2-CE2 4.26Å; Y83-Y109 HydrophobicContact CG-CE2 4.38Å; C107-Y109 HydrophobicContact CB-CD2 4.41Å; C107-Y109 HydrophobicContact CB-CE2 3.57Å; Y109-G142 VanDerWaalsContact CD1-CA 3.45Å; Y109-I182 HydrophobicContact CD1-CD1 3.76Å; Y109-I182 HydrophobicContact CD2-CD1 4.37Å; Y109-I182 HydrophobicContact CE1-CD1 3.61Å; Y109-I182 HydrophobicContact CE2-CD1 4.26Å; Y109-I182 HydrophobicContact CG-CD1 4.14Å; Y109-Y183 WeakPolarHBondContact CD1-OH 3.34Å
110N72Confident65.2Low67 Ų6759.1 Ų59.136%0.35833%0.334SS..  trans-111.1131.9171.2-173.7-11000108.2D80 D112 S144D80-N110 PolarHBondContact OD1-OD1 3.42Å; N110-D112 PolarHBondContact ND2-OD2 3.34Å; N110-D112 WeakPolarHBondContact OD1-CB 3.14Å; N110-D112 PolarHBondContact OD1-N 3.01Å; N110-D112 PolarHBondContact OD1-OD1 2.86Å; N110-D112 PolarHBondContact OD1-OD2 2.97Å; N110-D112 VanDerWaalsContact OD1-OD2 3.1Å; N110-S144 PolarHBondContact O-OG 2.92Å; N110-S144 VanDerWaalsContact O-OG 3.09Å
111M65.8Low63.3Low3 Ų358.8 Ų58.82%0.01535%0.351CS..SBendtrans-90.1-3.1-178.7-68.4-75.2-83.200113.5T79 D113 I114 P145 Y183 P259 Y297T79-M111 WeakPolarHBondContact O-CG 3.3Å; M111-D113 PolarHBondContact O-N 2.85Å; M111-D113 VanDerWaalsContact O-N 3.15Å; M111-I114 HydrophobicContact CB-CD1 4.42Å; M111-I114 HydrophobicContact CE-CD1 3.68Å; M111-I114 HydrophobicContact CE-CG1 4.39Å; M111-I114 WeakPolarHBondContact O-CG1 3Å; M111-I114 PolarHBondContact O-N 2.8Å; M111-I114 HydrophobicContact SD-CD1 4.35Å; M111-P145 HydrophobicContact CE-CG 3.57Å; M111-P145 WeakPolarHBondContact SD-CD 3.13Å; M111-P145 HydrophobicContact SD-CG 3.8Å; M111-Y183 HydrophobicContact CE-CD1 4Å; M111-Y183 HydrophobicContact CE-CE1 4.26Å; M111-Y183 HydrophobicContact CG-CE1 4.47Å; M111-Y183 HydrophobicContact SD-CD1 3.75Å; M111-Y183 HydrophobicContact SD-CE1 3.39Å; M111-Y183 WeakPolarHBondContact SD-CE1 3.46Å; M111-P259 HydrophobicContact CE-CB 3.17Å; M111-P259 HydrophobicContact CE-CG 3.34Å; M111-Y297 PolarHBondContact O-OH 3.18Å
112D60.4Low61Low72 Ų7263.2 Ų63.239%0.38538%0.375SS..THydrogen-bonded Turntrans-60.1-23.6179-60.5-26000113.2N110N110-D112 PolarHBondContact ND2-OD2 3.34Å; N110-D112 WeakPolarHBondContact OD1-CB 3.14Å; N110-D112 PolarHBondContact OD1-N 3.01Å; N110-D112 PolarHBondContact OD1-OD1 2.86Å; N110-D112 PolarHBondContact OD1-OD2 2.97Å; N110-D112 VanDerWaalsContact OD1-OD2 3.1Å
113D53.9Low58.6Low127 Ų12769 Ų6968%0.67940%0.398SS*.THydrogen-bonded Turntrans-97.132.8-177.6-88-21.7000113.5M111 T115 S144M111-D113 PolarHBondContact O-N 2.85Å; M111-D113 VanDerWaalsContact O-N 3.15Å; D113-T115 PolarHBondContact O-N 2.87Å; D113-T115 VanDerWaalsContact O-N 3.1Å; D113-S144 WeakPolarHBondContact O-CB 3.35Å; D113-S144 PolarHBondContact O-OG 2.88Å
114I53.2Low55.9Low16 Ų1672.5 Ų72.58%0.08243%0.434CS..  trans-62.6119175.4-75.4167.4000110.7M111 L116 P145 L147 P259 Y297M111-I114 HydrophobicContact CB-CD1 4.42Å; M111-I114 HydrophobicContact CE-CD1 3.68Å; M111-I114 HydrophobicContact CE-CG1 4.39Å; M111-I114 WeakPolarHBondContact O-CG1 3Å; M111-I114 PolarHBondContact O-N 2.8Å; M111-I114 HydrophobicContact SD-CD1 4.35Å; I114-L116 HydrophobicContact CG2-CD2 3.95Å; I114-L116 HydrophobicContact CG2-CG 4.41Å; I114-L116 PolarHBondContact O-N 3.15Å; I114-L116 VanDerWaalsContact O-N 3.11Å; I114-P145 HydrophobicContact CG1-CG 4.49Å; I114-P145 WeakPolarHBondContact CG2-O 3.3Å; I114-L147 HydrophobicContact CD1-CD1 4.07Å; I114-L147 HydrophobicContact CG2-CB 4.29Å; I114-L147 HydrophobicContact CG2-CD1 4.29Å; I114-L147 HydrophobicContact CG2-CG 4.5Å; I114-P259 HydrophobicContact CD1-CB 4.39Å; I114-P259 HydrophobicContact CD1-CG 3.77Å; I114-Y297 HydrophobicContact CB-CD1 4.41Å; I114-Y297 HydrophobicContact CB-CE1 3.68Å; I114-Y297 HydrophobicContact CB-CE2 4.46Å; I114-Y297 HydrophobicContact CD1-CD2 3.85Å; I114-Y297 HydrophobicContact CD1-CE1 4.02Å; I114-Y297 HydrophobicContact CD1-CE2 3.19Å; I114-Y297 HydrophobicContact CD1-CG 4.49Å; I114-Y297 HydrophobicContact CG1-CE1 4.34Å; I114-Y297 HydrophobicContact CG1-CE2 4.26Å; I114-Y297 HydrophobicContact CG2-CD1 4.44Å; I114-Y297 HydrophobicContact CG2-CE1 4.17Å
115T54.1Low53.4Low87 Ų8777.2 Ų77.253%0.53447%0.465SS..  trans-70.9105.7168.152.60000109D113 T117 L146D113-T115 PolarHBondContact O-N 2.87Å; D113-T115 VanDerWaalsContact O-N 3.1Å; T115-T117 PolarHBondContact O-N 2.78Å; T115-L146 WeakPolarHBondContact O-CD1 3.41Å
116L46.9Very low50.5Low68 Ų6881.1 Ų81.136%0.35651%0.505SS..BIsolated β-bridgetrans-79.9113.4170-65.7178.8000109.1I114 L118 L147 Y297 L299I114-L116 HydrophobicContact CG2-CD2 3.95Å; I114-L116 HydrophobicContact CG2-CG 4.41Å; I114-L116 PolarHBondContact O-N 3.15Å; I114-L116 VanDerWaalsContact O-N 3.11Å; L116-L118 HydrophobicContact CB-CD1 4.34Å; L116-L118 PolarHBondContact O-N 2.81Å; L116-L118 VanDerWaalsContact O-N 3.14Å; L116-L147 HydrophobicContact CD2-CB 4.26Å; L116-Y297 HydrophobicContact CD1-CD1 4.36Å; L116-Y297 HydrophobicContact CD2-CD1 4.11Å; L116-Y297 HydrophobicContact CG-CD1 4.46Å; L116-L299 HydrophobicContact CD2-CD2 3.45Å; L116-L299 VanDerWaalsContact CD2-CD2 3.45Å
117T46.7Very low47.5Very low71 Ų7183.8 Ų83.844%0.43653%0.527SS..  trans-82.392.6171.5290000109.6T115 L146T115-T117 PolarHBondContact O-N 2.78Å; T117-L146 HydrophobicContact CG2-CD1 3.54Å; T117-L146 HydrophobicContact CG2-CD2 4.2Å; T117-L146 HydrophobicContact CG2-CG 4.4Å; T117-L146 WeakPolarHBondContact OG1-CD1 3.38Å
118L40.1Very low44.7Very low131 Ų13192 Ų9269%0.68657%0.569SS**  trans-70.3150.3158.4-74.397.7000109.3L116 T120L116-L118 HydrophobicContact CB-CD1 4.34Å; L116-L118 PolarHBondContact O-N 2.81Å; L116-L118 VanDerWaalsContact O-N 3.14Å; L118-T120 PolarHBondContact O-N 3.25Å
119P36.8Very low41.9Very low116 Ų11696.3 Ų96.375%0.75359%0.587SS**SBendtrans-53.5106.6175.8-23.633000111.8
120T30.3Very low39.5Very low143 Ų143101.5 Ų101.588%0.87762%0.624SS**  trans56.4113.4163.557.20000119.2L118L118-T120 PolarHBondContact O-N 3.25Å
121G31.4Very low37.6Very low72 Ų72101.2 Ų101.274%0.74263%0.626SS**  trans172.369164.900000116.8
122I28.8Very low35.7Very low152 Ų152112.4 Ų112.478%0.77967%0.668SS**  trans49.8112.5141.9-52.7177.1000120
123N27.8Very low34.1Very low155 Ų155114.6 Ų114.683%0.82968%0.684SS**  trans5997.5145.2-55-10.2000120.1
124G27.7Very low33Very low75 Ų75117.5 Ų117.577%0.77369%0.686SS**  trans-113.6131.4160.500000111.5
125P29.7Very low32.7Very low126 Ų126121 Ų12182%0.81872%0.718SS**PPolyproline II helixtrans-84.6136.7-179.628-20.6000111.5
126G25.7Very low33Very low81 Ų81120.1 Ų120.184%0.83571%0.71SS**PPolyproline II helixtrans-64.8132-179.500000113.2
127L23.7Very low33.9Very low165 Ų165118 Ų11886%0.86470%0.7SS**PPolyproline II helixtrans-85.1117.9171.9-83.5159.1000109.4
128L23.9Very low35Very low171 Ų171115.2 Ų115.290%0.89568%0.682SS**  trans-86.3108.6169.7-67169.9000108.5
129I24.8Very low36.5Very low122 Ų122111 Ų11163%0.62666%0.662SS**  trans-86.7111.9173.2-58.5175.3000107.9P131I129-P131 WeakPolarHBondContact O-CD 3.49Å
130S26.7Very low37.9Very low112 Ų112105.7 Ų105.778%0.78363%0.629SS**  trans-69.1124.5170.8-76.80000110.5
131P30.9Very low39.7Very low60 Ų60102.4 Ų102.439%0.3961%0.612SS.*  trans-70140.7-179-18.932.6000113I129 T133 T139I129-P131 WeakPolarHBondContact O-CD 3.49Å; P131-T133 PolarHBondContact O-N 3.48Å; P131-T139 WeakPolarHBondContact CB-O 3.42Å; P131-T139 WeakPolarHBondContact CG-O 3.38Å
132R25.9Very low41.2Very low239 Ų23999.3 Ų99.390%0.90258%0.58SS**  trans-69.4110.3169.3-77.3-179.9173.2-133.80.1109.6Y134R132-Y134 PolarHBondContact O-N 2.83Å
133T28Very low42.8Very low117 Ų11794.1 Ų94.172%0.71856%0.564SS**  trans-72.9106.4177.451.80000111P131P131-T133 PolarHBondContact O-N 3.48Å
134Y29.4Very low44.6Very low188 Ų18888 Ų8874%0.73753%0.533SS*.BIsolated β-bridgetrans-76.5141.5141.8-143.1-103.4000105.9R132 D136 V137R132-Y134 PolarHBondContact O-N 2.83Å; Y134-D136 PolarHBondContact O-N 2.86Å; Y134-V137 PolarHBondContact O-N 2.83Å
135A47.7Very low46.6Very low89 Ų8984.5 Ų84.574%0.73650%0.497SS*.THydrogen-bonded Turntrans-59.5-4.6-16800000115.3R9R9-A135 PolarHBondContact NH1-O 2.82Å; R9-A135 VanDerWaalsContact NH1-O 3.15Å; R9-A135 PolarHBondContact NH2-O 3.4Å
136D60.9Low48.8Very low70 Ų7080.4 Ų80.437%0.37447%0.468SS..THydrogen-bonded Turntrans-133.3-2.2179.1-157.59.7000114.1G102 L103 T104 Y134G102-D136 VanDerWaalsContact C-OD1 3.31Å; L103-D136 WeakPolarHBondContact CA-OD1 3.26Å; T104-D136 PolarHBondContact N-O 3.05Å; Y134-D136 PolarHBondContact O-N 2.86Å
137V64.2Low51.5Low24 Ų2476.6 Ų76.615%0.14543%0.428CS..EExtended strand (participates in β ladder)trans-119.7116.5-178-171.60000109.2T104 R106 Y134T104-V137 HydrophobicContact CG2-CG1 4.43Å; T104-V137 VanDerWaalsContact O-CA 3.3Å; T104-V137 WeakPolarHBondContact O-CA 3.43Å; R106-V137 HydrophobicContact CG-CG1 4.18Å; Y134-V137 PolarHBondContact O-N 2.83Å
138V70.7Confident54.5Low11 Ų1171.1 Ų71.17%0.06740%0.398CS..EExtended strand (participates in β ladder)trans-105.7117.2173-172.70000107.7R9 V11 L103 T104 V105 R106R9-V138 HydrophobicContact CB-CG2 4.46Å; R9-V138 VanDerWaalsContact CD-CG2 3.47Å; R9-V138 HydrophobicContact CG-CG2 3.67Å; V11-V138 HydrophobicContact CB-CG1 4.06Å; V11-V138 HydrophobicContact CG2-CB 3.86Å; V11-V138 HydrophobicContact CG2-CG1 3.4Å; L103-V138 HydrophobicContact CD1-CG2 3.86Å; T104-V138 PolarHBondContact O-N 2.88Å; V105-V138 WeakPolarHBondContact CA-O 3.38Å; R106-V138 PolarHBondContact N-O 2.94Å
139T70.7Confident57.7Low42 Ų4263.8 Ų63.826%0.25836%0.359SS..EExtended strand (participates in β ladder)trans-103.4127.7-180-52.20000109.2R106 A108 P131R106-T139 HydrophobicContact CB-CG2 4.25Å; R106-T139 CarbonylContact O-C 3.21Å; R106-T139 WeakPolarHBondContact O-CA 3.24Å; A108-T139 HydrophobicContact CB-CG2 4.43Å; P131-T139 WeakPolarHBondContact CB-O 3.42Å; P131-T139 WeakPolarHBondContact CG-O 3.38Å
140G67.1Low61Low6 Ų659.1 Ų59.16%0.06234%0.336CS..EExtended strand (participates in β ladder)trans-103.2161.1166.100000110.8C13 R106 C107 A108C13-G140 VanDerWaalsContact SG-C 3.53Å; C13-G140 WeakPolarHBondContact SG-CA 3.35Å; R106-G140 PolarHBondContact O-N 3.36Å; C107-G140 WeakPolarHBondContact CA-O 3.21Å; A108-G140 PolarHBondContact N-O 2.91Å
141S68.6Low64.2Low73 Ų7354.1 Ų54.151%0.5130%0.301SS..EExtended strand (participates in β ladder)trans-100.7129.3171.4-167.10000108.7
142G62.5Low67.3Low7 Ų753 Ų537%0.07229%0.289CS..BIsolated β-bridgetrans-78.6151.2172.100000112.8A108 Y109A108-G142 PolarHBondContact O-N 3.15Å; Y109-G142 VanDerWaalsContact CD1-CA 3.45Å
143G61.4Low70.7Confident44 Ų4444.9 Ų44.945%0.45426%0.263SS..PPolyproline II helixtrans-80.5138.5174.500000112.4Y183G143-Y183 PolarHBondContact O-OH 3.43Å
144S67.1Low73.9Confident26 Ų2640.3 Ų40.318%0.18224%0.24CC..PPolyproline II helixtrans-76.5147.8177.8-44.60000111.7N110 D113N110-S144 PolarHBondContact O-OG 2.92Å; N110-S144 VanDerWaalsContact O-OG 3.09Å; D113-S144 WeakPolarHBondContact O-CB 3.35Å; D113-S144 PolarHBondContact O-OG 2.88Å
145P70.1Confident77.2Confident2 Ų234.5 Ų34.51%0.01322%0.219CC..PPolyproline II helixtrans-74.7153-175.530.2-33.6000112.4M111 I114 M177 Y183M111-P145 HydrophobicContact CE-CG 3.57Å; M111-P145 WeakPolarHBondContact SD-CD 3.13Å; M111-P145 HydrophobicContact SD-CG 3.8Å; I114-P145 HydrophobicContact CG1-CG 4.49Å; I114-P145 WeakPolarHBondContact CG2-O 3.3Å; P145-M177 HydrophobicContact CB-CE 4.21Å; P145-M177 HydrophobicContact CB-CG 4.07Å; P145-M177 HydrophobicContact CB-SD 4.14Å; P145-M177 HydrophobicContact CG-CE 3.9Å; P145-M177 HydrophobicContact CG-SD 4.34Å; P145-Y183 HydrophobicContact CB-CD2 3.71Å; P145-Y183 HydrophobicContact CB-CE2 4.14Å; P145-Y183 HydrophobicContact CB-CG 4.07Å; P145-Y183 HydrophobicContact CG-CD1 4.09Å; P145-Y183 HydrophobicContact CG-CD2 3.86Å; P145-Y183 HydrophobicContact CG-CE1 4.41Å; P145-Y183 HydrophobicContact CG-CE2 4.18Å; P145-Y183 HydrophobicContact CG-CG 3.8Å
146L74.8Confident79.4Confident40 Ų4031 Ų3121%0.20919%0.192CC..  trans-84115175.8-174.264.9000111.2T115 T117 E178T115-L146 WeakPolarHBondContact O-CD1 3.41Å; T117-L146 HydrophobicContact CG2-CD1 3.54Å; T117-L146 HydrophobicContact CG2-CD2 4.2Å; T117-L146 HydrophobicContact CG2-CG 4.4Å; T117-L146 WeakPolarHBondContact OG1-CD1 3.38Å; L146-E178 HydrophobicContact CD2-CG 4.48Å; L146-E178 PolarHBondContact O-N 3.41Å
147L82.6Confident80.9Confident0 Ų028.9 Ų28.90%018%0.18CC..EExtended strand (participates in β ladder)trans-102.1134.1172.4-78.3173000111.1I114 L116 M177 F185 V257 Y297I114-L147 HydrophobicContact CD1-CD1 4.07Å; I114-L147 HydrophobicContact CG2-CB 4.29Å; I114-L147 HydrophobicContact CG2-CD1 4.29Å; I114-L147 HydrophobicContact CG2-CG 4.5Å; L116-L147 HydrophobicContact CD2-CB 4.26Å; L147-M177 HydrophobicContact CD1-CE 4.48Å; L147-M177 HydrophobicContact CD2-CB 3.94Å; L147-M177 HydrophobicContact CD2-CE 3.71Å; L147-M177 HydrophobicContact CD2-CG 4.37Å; L147-M177 HydrophobicContact CG-CE 4.11Å; L147-F185 HydrophobicContact CD2-CD2 4.4Å; L147-F185 HydrophobicContact CD2-CG 4.3Å; L147-V257 HydrophobicContact CD1-CG1 3.88Å; L147-V257 HydrophobicContact CD2-CG1 4.11Å; L147-Y297 HydrophobicContact CD1-CD2 4.44Å; L147-Y297 HydrophobicContact CD1-CG 4.48Å
148K85.8Confident82.2Confident51 Ų5135.2 Ų35.222%0.22221%0.208CC..EExtended strand (participates in β ladder)trans-141.1150.5175.263.6-175.5175.4-174.50112V175 I176 E178K148-V175 WeakPolarHBondContact O-CA 3.23Å; K148-I176 HydrophobicContact CD-CB 4.39Å; K148-I176 HydrophobicContact CD-CD1 4.25Å; K148-I176 HydrophobicContact CG-CB 3.74Å; K148-I176 HydrophobicContact CG-CD1 4.15Å; K148-I176 HydrophobicContact CG-CG1 4.31Å; K148-I176 PolarHBondContact N-O 3.09Å; K148-I176 PolarHBondContact O-N 3.01Å; K148-E178 WeakPolarHBondContact CE-OE1 3.21Å; K148-E178 IonicContact NZ-OE1 2.56Å; K148-E178 PolarHBondContact NZ-OE1 3.05Å
149M92.1Very high83.2Confident16 Ų1635.5 Ų35.58%0.07921%0.213CC..EExtended strand (participates in β ladder)trans-126.7126.8173.9-177167.880.200109.5L173 V175 V253 C255 L299 T300 A301M149-L173 HydrophobicContact CG-CD1 3.82Å; M149-L173 HydrophobicContact SD-CD1 3.95Å; M149-V175 HydrophobicContact CB-CG2 4.38Å; M149-V175 HydrophobicContact CG-CG2 3.96Å; M149-V175 HydrophobicContact SD-CG2 4.02Å; M149-V253 WeakPolarHBondContact CE-O 3.4Å; M149-C255 HydrophobicContact SD-CB 3.9Å; M149-L299 HydrophobicContact CB-CB 3.88Å; M149-L299 HydrophobicContact CB-CD1 3.82Å; M149-L299 HydrophobicContact CB-CG 4.47Å; M149-L299 VanDerWaalsContact CE-C 3.44Å; M149-L299 HydrophobicContact CE-CB 3.94Å; M149-L299 VanDerWaalsContact CE-O 3.3Å; M149-L299 WeakPolarHBondContact CE-O 3.45Å; M149-L299 HydrophobicContact SD-CB 3.92Å; M149-T300 VanDerWaalsContact CE-CA 3.43Å; M149-A301 HydrophobicContact CE-CB 3.61Å; M149-A301 HydrophobicContact CG-CB 4.31Å
150V94.3Very high84.3Confident25 Ų2537.2 Ų37.215%0.15223%0.227CC..EExtended strand (participates in β ladder)trans-136.9156.8-177.5-62.60000110.8R152 V161 D174 I176V150-R152 HydrophobicContact CG2-CG 4.28Å; V150-V161 HydrophobicContact CB-CG1 4.01Å; V150-V161 HydrophobicContact CB-CG2 4.03Å; V150-V161 HydrophobicContact CG1-CG1 4.24Å; V150-V161 HydrophobicContact CG1-CG2 4.28Å; V150-V161 HydrophobicContact CG2-CG2 4.06Å; V150-D174 HydrophobicContact CG2-CB 4.15Å; V150-D174 PolarHBondContact N-O 3.18Å; V150-D174 PolarHBondContact O-N 2.97Å; V150-I176 HydrophobicContact CG2-CD1 3.82Å
151I94.3Very high85.6Confident7 Ų741 Ų414%0.03625%0.249CC..EExtended strand (participates in β ladder)trans-107.8129.5170.3-60.7165.6000107.9V161 V162 V171 T172 L173 A301 I303I151-V161 WeakPolarHBondContact O-CA 3.44Å; I151-V162 HydrophobicContact CG2-CG2 4.22Å; I151-V162 PolarHBondContact O-N 2.78Å; I151-V171 HydrophobicContact CG2-CB 3.97Å; I151-V171 HydrophobicContact CG2-CG2 4.3Å; I151-T172 CarbonylContact C-O 3.56Å; I151-T172 WeakPolarHBondContact CA-O 3.29Å; I151-L173 HydrophobicContact CG1-CD1 4.04Å; I151-A301 HydrophobicContact CD1-CB 4.2Å; I151-A301 HydrophobicContact CG1-CB 4.38Å; I151-I303 HydrophobicContact CB-CD1 4.11Å; I151-I303 HydrophobicContact CD1-CB 3.82Å; I151-I303 HydrophobicContact CD1-CD1 3.87Å; I151-I303 HydrophobicContact CD1-CG1 4.43Å; I151-I303 HydrophobicContact CD1-CG2 4Å; I151-I303 HydrophobicContact CG2-CD1 3.64Å
152R96Very high86.8Confident37 Ų3739.1 Ų39.114%0.1423%0.234CC..EExtended strand (participates in β ladder)trans-111.1148.4-177.5-62.2-179.5179.9-81.61.1111.6V150 I157 G159 S160 V171 T172 D174V150-R152 HydrophobicContact CG2-CG 4.28Å; R152-I157 PolarHBondContact NE-O 3.3Å; R152-G159 WeakPolarHBondContact CD-O 3.44Å; R152-G159 PolarHBondContact NH1-O 2.8Å; R152-S160 CarbonylContact C-O 3.44Å; R152-S160 VanDerWaalsContact CA-O 3.25Å; R152-S160 WeakPolarHBondContact CA-O 3Å; R152-V171 CarbonylContact O-C 3.58Å; R152-V171 VanDerWaalsContact O-CA 3.23Å; R152-V171 WeakPolarHBondContact O-CA 3.08Å; R152-T172 PolarHBondContact N-O 3.25Å; R152-T172 PolarHBondContact O-N 2.78Å; R152-D174 HydrophobicContact CG-CB 4.49Å; R152-D174 IonicContact CZ-OD2 3.65Å; R152-D174 IonicContact NE-OD2 3.15Å; R152-D174 PolarHBondContact NE-OD2 2.9Å; R152-D174 IonicContact NH2-OD2 3.73Å; R152-D174 PolarHBondContact NH2-OD2 2.87Å
153D96Very high88.1Confident67 Ų6744.3 Ų44.336%0.35826%0.26SS..EExtended strand (participates in β ladder)trans-70136.2171.5-173.435000111.6G159 S160 V162 Q169D153-G159 VanDerWaalsContact O-CA 3.28Å; D153-G159 WeakPolarHBondContact O-CA 3.42Å; D153-S160 PolarHBondContact N-O 2.86Å; D153-V162 HydrophobicContact CB-CG1 3.86Å; D153-Q169 PolarHBondContact OD1-NE2 3.17Å
154G96.6Very high89.5Confident22 Ų2244.4 Ų44.423%0.22725%0.252CS..SBendtrans76.3-178.4-176.900000114.2R170 V171 T172G154-R170 VanDerWaalsContact CA-O 3.29Å; G154-R170 WeakPolarHBondContact CA-O 3.34Å; G154-R170 PolarHBondContact N-O 2.94Å; G154-V171 CarbonylContact O-C 3.52Å; G154-V171 WeakPolarHBondContact O-CA 3.1Å; G154-T172 PolarHBondContact O-N 2.81Å; G154-T172 PolarHBondContact O-OG1 3.4Å
155H97.3Very high90.8Very high66 Ų6643.3 Ų43.331%0.30624%0.244SC..SBendtrans-96.7115.2176.5-71.8174.1000110.1V171 T172 D220 H239 M240 Y241H155-V171 PolarHBondContact CD2-O 2.82Å; H155-T172 VanDerWaalsContact CA-OG1 3.27Å; H155-T172 WeakPolarHBondContact CA-OG1 3.36Å; H155-D220 IonicContact CE1-OD2 3.28Å; H155-H239 AromaticContact CD2-CG 3.95Å; H155-H239 AromaticContact CG-CD2 3.97Å; H155-H239 AromaticContact CG-CG 3.79Å; H155-M240 PolarHBondContact NE2-O 3.41Å; H155-Y241 AromaticContact CE1-CZ 3.61Å
156G94Very high91.9Very high16 Ų1648.1 Ų48.117%0.16527%0.266CS..SBendtrans125.1172.9-179.200000113.6T172 H239G156-T172 PolarHBondContact N-OG1 3.06Å; G156-T172 PolarHBondContact O-OG1 3.07Å; G156-H239 PolarHBondContact N-NE2 2.61Å
157I93.3Very high92.8Very high24 Ų2449.2 Ų49.212%0.12328%0.275CS..THydrogen-bonded Turntrans-87.1-3.9-174.163.6166000114.7R152 T226 H235 Y237R152-I157 PolarHBondContact NE-O 3.3Å; I157-T226 HydrophobicContact CD1-CG2 3.61Å; I157-H235 HydrophobicContact CG2-CB 4.08Å; I157-Y237 HydrophobicContact CG2-CD1 3.49Å; I157-Y237 VanDerWaalsContact CG2-CD1 3.49Å; I157-Y237 HydrophobicContact CG2-CD2 4.3Å; I157-Y237 HydrophobicContact CG2-CE1 3.74Å; I157-Y237 HydrophobicContact CG2-CE2 4.48Å; I157-Y237 HydrophobicContact CG2-CG 3.8Å
158Q91.7Very high93.2Very high157 Ų15751.4 Ų51.473%0.73430%0.297SS*.THydrogen-bonded Turntrans-87.1-10.6-177.9-58.1-60.2-1900113.2
159G90.7Very high93.6Very high17 Ų1751.2 Ų51.218%0.17530%0.297CS..SBendtrans-65.2149.9179.400000113.2R152 D153R152-G159 WeakPolarHBondContact CD-O 3.44Å; R152-G159 PolarHBondContact NH1-O 2.8Å; D153-G159 VanDerWaalsContact O-CA 3.28Å; D153-G159 WeakPolarHBondContact O-CA 3.42Å
160S94.7Very high93.8Very high79 Ų7957.8 Ų57.855%0.55232%0.321SS*.PPolyproline II helixtrans-65.6148170.168.60000110.8R152 D153R152-S160 CarbonylContact C-O 3.44Å; R152-S160 VanDerWaalsContact CA-O 3.25Å; R152-S160 WeakPolarHBondContact CA-O 3Å; D153-S160 PolarHBondContact N-O 2.86Å
161V94Very high93.9Very high86 Ų8656.8 Ų56.852%0.52132%0.315SS..BIsolated β-bridgetrans-72.6132.7175.9177.70000109V150 I151V150-V161 HydrophobicContact CB-CG1 4.01Å; V150-V161 HydrophobicContact CB-CG2 4.03Å; V150-V161 HydrophobicContact CG1-CG1 4.24Å; V150-V161 HydrophobicContact CG1-CG2 4.28Å; V150-V161 HydrophobicContact CG2-CG2 4.06Å; I151-V161 WeakPolarHBondContact O-CA 3.44Å
162V92.7Very high94.1Very high32 Ų3256.5 Ų56.519%0.19431%0.313CS..  trans-126.5145.5-176.7-67.30000111.3I151 D153 V165 I303I151-V162 HydrophobicContact CG2-CG2 4.22Å; I151-V162 PolarHBondContact O-N 2.78Å; D153-V162 HydrophobicContact CB-CG1 3.86Å; V162-V165 HydrophobicContact CB-CG1 4.38Å; V162-V165 HydrophobicContact CG2-CG1 3.73Å; V162-I303 HydrophobicContact CG2-CD1 4.44Å
163D90.7Very high94.1Very high116 Ų11654.9 Ų54.962%0.6231%0.307SS*.SBendtrans-111.4-12.1175.264.2-1.6000112.9I303 R304D163-I303 WeakPolarHBondContact O-CA 3.17Å; D163-I303 WeakPolarHBondContact O-CG1 3.25Å; D163-R304 PolarHBondContact O-N 3.13Å
164T91.8Very high94.1Very high47 Ų4751.7 Ų51.729%0.28829%0.29SS..EExtended strand (participates in β ladder)trans-136.7130.3-177.1-51.30000109.5R304 E306T164-R304 CarbonylContact C-O 3.53Å; T164-R304 VanDerWaalsContact CA-O 3.28Å; T164-R304 WeakPolarHBondContact CA-O 3.17Å; T164-R304 HydrophobicContact CG2-CB 4.38Å; T164-R304 HydrophobicContact CG2-CG 4.46Å; T164-E306 HydrophobicContact CG2-CG 3.85Å
165V93.1Very high94Very high2 Ų250.8 Ų50.81%0.01228%0.28CS..EExtended strand (participates in β ladder)trans-140.7161.1-177.7-63.90000111.3V162 V171 I303 R304 V305 E306V162-V165 HydrophobicContact CB-CG1 4.38Å; V162-V165 HydrophobicContact CG2-CG1 3.73Å; V165-V171 HydrophobicContact CB-CG1 4.22Å; V165-V171 HydrophobicContact CG1-CG1 3.65Å; V165-I303 HydrophobicContact CB-CD1 4.13Å; V165-I303 HydrophobicContact CG1-CD1 3.45Å; V165-I303 VanDerWaalsContact CG1-CD1 3.45Å; V165-I303 HydrophobicContact CG1-CG1 4.24Å; V165-I303 HydrophobicContact CG2-CD1 3.59Å; V165-I303 HydrophobicContact CG2-CG1 3.9Å; V165-R304 PolarHBondContact N-O 2.93Å; V165-V305 HydrophobicContact CG2-CG2 3.89Å; V165-V305 CarbonylContact O-C 3.54Å; V165-V305 VanDerWaalsContact O-CA 3.25Å; V165-V305 WeakPolarHBondContact O-CA 3.48Å; V165-E306 PolarHBondContact O-N 3.23Å
166H93.1Very high93.8Very high103 Ų10347.7 Ų47.748%0.47727%0.266SS..EExtended strand (participates in β ladder)trans-93.2154.7174.4-55.882.9000111.2G168 Q169 E306H166-G168 PolarHBondContact O-N 2.93Å; H166-Q169 HydrophobicContact CB-CB 4.3Å; H166-Q169 PolarHBondContact ND1-OE1 2.86Å; H166-Q169 WeakPolarHBondContact O-CB 3.26Å; H166-Q169 PolarHBondContact O-N 2.91Å; H166-E306 IonicContact NE2-OE2 3.47Å
167V93.3Very high93.4Very high64 Ų6447 Ų4739%0.38826%0.258SS..THydrogen-bonded Turntrans-57.5129170.7179.40000110.3Q169 G242 Q244 V305 E306V167-Q169 VanDerWaalsContact C-N 3.27Å; V167-Q169 PolarHBondContact O-N 2.94Å; V167-G242 CarbonylContact C-O 3.51Å; V167-G242 WeakPolarHBondContact CA-O 3.34Å; V167-Q244 HydrophobicContact CG2-CG 4.36Å; V167-V305 HydrophobicContact CG2-CG1 3.61Å; V167-E306 PolarHBondContact N-O 3.26Å
168G91.4Very high92.9Very high46 Ų4649.8 Ų49.847%0.47427%0.271SS..THydrogen-bonded Turntrans80.3-5.1-178.200000115.2H166 G242H166-G168 PolarHBondContact O-N 2.93Å; G168-G242 PolarHBondContact N-O 2.74Å
169Q94.7Very high92.1Very high46 Ų4644.6 Ų44.622%0.21525%0.248CC..  trans-62137174-178.4175.4-15.200110D153 H166 V167 V171 Y241 G242D153-Q169 PolarHBondContact OD1-NE2 3.17Å; H166-Q169 HydrophobicContact CB-CB 4.3Å; H166-Q169 PolarHBondContact ND1-OE1 2.86Å; H166-Q169 WeakPolarHBondContact O-CB 3.26Å; H166-Q169 PolarHBondContact O-N 2.91Å; V167-Q169 VanDerWaalsContact C-N 3.27Å; V167-Q169 PolarHBondContact O-N 2.94Å; Q169-V171 HydrophobicContact CG-CG1 4.32Å; Q169-V171 PolarHBondContact O-N 2.85Å; Q169-Y241 CarbonylContact O-C 3.47Å; Q169-Y241 VanDerWaalsContact O-CA 3.23Å; Q169-Y241 WeakPolarHBondContact O-CA 3.46Å; Q169-G242 PolarHBondContact O-N 3.28Å
170R96.9Very high91.6Very high155 Ų15545.3 Ų45.359%0.58525%0.249SC*.EExtended strand (participates in β ladder)trans-71.9128175.5-69.6177-173.7171.4-1.3109.5G154 Y241G154-R170 VanDerWaalsContact CA-O 3.29Å; G154-R170 WeakPolarHBondContact CA-O 3.34Å; G154-R170 PolarHBondContact N-O 2.94Å; R170-Y241 HydrophobicContact CG-CD1 3.96Å; R170-Y241 HydrophobicContact CG-CE1 3.61Å
171V96.7Very high90.8Very high4 Ų442.9 Ų42.92%0.02423%0.232CC..EExtended strand (participates in β ladder)trans-140.3160.1179.5-580000110.2I151 R152 G154 H155 V165 Q169 M240I151-V171 HydrophobicContact CG2-CB 3.97Å; I151-V171 HydrophobicContact CG2-CG2 4.3Å; R152-V171 CarbonylContact O-C 3.58Å; R152-V171 VanDerWaalsContact O-CA 3.23Å; R152-V171 WeakPolarHBondContact O-CA 3.08Å; G154-V171 CarbonylContact O-C 3.52Å; G154-V171 WeakPolarHBondContact O-CA 3.1Å; H155-V171 PolarHBondContact CD2-O 2.82Å; V165-V171 HydrophobicContact CB-CG1 4.22Å; V165-V171 HydrophobicContact CG1-CG1 3.65Å; Q169-V171 HydrophobicContact CG-CG1 4.32Å; Q169-V171 PolarHBondContact O-N 2.85Å; V171-M240 HydrophobicContact CG2-CB 3.89Å; V171-M240 HydrophobicContact CG2-CE 4.21Å; V171-M240 PolarHBondContact N-O 3.25Å; V171-M240 CarbonylContact O-C 3.55Å; V171-M240 PolarHBondContact O-N 3.12Å
172T97.6Very high89.9Confident0 Ų038.9 Ų38.90%021%0.208CC..EExtended strand (participates in β ladder)trans-125.8123.6178-60.20000110I151 R152 G154 H155 G156 Y237 V238I151-T172 CarbonylContact C-O 3.56Å; I151-T172 WeakPolarHBondContact CA-O 3.29Å; R152-T172 PolarHBondContact N-O 3.25Å; R152-T172 PolarHBondContact O-N 2.78Å; G154-T172 PolarHBondContact O-N 2.81Å; G154-T172 PolarHBondContact O-OG1 3.4Å; H155-T172 VanDerWaalsContact CA-OG1 3.27Å; H155-T172 WeakPolarHBondContact CA-OG1 3.36Å; G156-T172 PolarHBondContact N-OG1 3.06Å; G156-T172 PolarHBondContact O-OG1 3.07Å; T172-Y237 HydrophobicContact CG2-CD2 3.7Å; T172-Y237 HydrophobicContact CG2-CG 4.1Å; T172-V238 WeakPolarHBondContact CA-O 3.37Å
173L96.2Very high89.4Confident3 Ų337.6 Ų37.62%0.01620%0.2CC..EExtended strand (participates in β ladder)trans-78.8118.5165.3-179.765.2000107.8M149 I151 I205 Y237 V238 M240 V253M149-L173 HydrophobicContact CG-CD1 3.82Å; M149-L173 HydrophobicContact SD-CD1 3.95Å; I151-L173 HydrophobicContact CG1-CD1 4.04Å; L173-I205 HydrophobicContact CD2-CG2 4.45Å; L173-Y237 CarbonylContact O-C 3.46Å; L173-Y237 WeakPolarHBondContact O-CA 3.25Å; L173-Y237 WeakPolarHBondContact O-CB 3.06Å; L173-V238 PolarHBondContact N-O 2.99Å; L173-V238 PolarHBondContact O-N 3.09Å; L173-M240 HydrophobicContact CB-CE 3.65Å; L173-M240 HydrophobicContact CB-SD 4.09Å; L173-V253 HydrophobicContact CD1-CG1 3.96Å; L173-V253 HydrophobicContact CD2-CG1 3.72Å
174D95.6Very high89.2Confident0 Ų032.9 Ų32.90%018%0.175CC..EExtended strand (participates in β ladder)trans-124.1115.1-175.5-175.220.2000110.1V150 R152 I176 H235V150-D174 HydrophobicContact CG2-CB 4.15Å; V150-D174 PolarHBondContact N-O 3.18Å; V150-D174 PolarHBondContact O-N 2.97Å; R152-D174 HydrophobicContact CG-CB 4.49Å; R152-D174 IonicContact CZ-OD2 3.65Å; R152-D174 IonicContact NE-OD2 3.15Å; R152-D174 PolarHBondContact NE-OD2 2.9Å; R152-D174 IonicContact NH2-OD2 3.73Å; R152-D174 PolarHBondContact NH2-OD2 2.87Å; D174-I176 HydrophobicContact CB-CG1 4.48Å; D174-I176 WeakPolarHBondContact OD1-CG1 3.49Å; D174-I176 VanDerWaalsContact OD2-CD1 3.29Å; D174-I176 WeakPolarHBondContact OD2-CD1 3.49Å; D174-I176 WeakPolarHBondContact OD2-CG1 3.27Å; D174-H235 WeakPolarHBondContact OD1-CB 2.81Å; D174-H235 IonicContact OD1-CG 2.73Å; D174-H235 IonicContact OD1-ND1 3.73Å; D174-H235 PolarHBondContact OD1-ND1 3.06Å; D174-H235 IonicContact OD2-CE1 3.35Å; D174-H235 IonicContact OD2-ND1 2.69Å; D174-H235 PolarHBondContact OD2-ND1 3.26Å
175V94.9Very high89.1Confident3 Ų330.7 Ų30.72%0.01816%0.161CC..EExtended strand (participates in β ladder)trans-100.9128.2172.1-1750000108.3K148 M149 F185 V187 H235 V236 V257 L299K148-V175 WeakPolarHBondContact O-CA 3.23Å; M149-V175 HydrophobicContact CB-CG2 4.38Å; M149-V175 HydrophobicContact CG-CG2 3.96Å; M149-V175 HydrophobicContact SD-CG2 4.02Å; V175-F185 HydrophobicContact CB-CE2 4.21Å; V175-F185 HydrophobicContact CG1-CD2 4.47Å; V175-F185 HydrophobicContact CG1-CE2 3.67Å; V175-F185 HydrophobicContact CG1-CZ 4.32Å; V175-F185 WeakPolarHBondContact O-CZ 3.28Å; V175-V187 HydrophobicContact CB-CG2 3.84Å; V175-V187 HydrophobicContact CG1-CG2 3.85Å; V175-V187 HydrophobicContact CG2-CG1 4.28Å; V175-V187 HydrophobicContact CG2-CG2 4Å; V175-H235 WeakPolarHBondContact O-CA 3.16Å; V175-V236 PolarHBondContact N-O 3.02Å; V175-V236 PolarHBondContact O-N 3.36Å; V175-V257 HydrophobicContact CG1-CG2 3.98Å; V175-L299 HydrophobicContact CG1-CD1 3.78Å
176I92.2Very high89Confident2 Ų231.5 Ų31.51%0.0116%0.164CC..EExtended strand (participates in β ladder)trans-130.8132.6-164.7-44.8166.7000109.2K148 V150 D174 A233 K234K148-I176 HydrophobicContact CD-CB 4.39Å; K148-I176 HydrophobicContact CD-CD1 4.25Å; K148-I176 HydrophobicContact CG-CB 3.74Å; K148-I176 HydrophobicContact CG-CD1 4.15Å; K148-I176 HydrophobicContact CG-CG1 4.31Å; K148-I176 PolarHBondContact N-O 3.09Å; K148-I176 PolarHBondContact O-N 3.01Å; V150-I176 HydrophobicContact CG2-CD1 3.82Å; D174-I176 HydrophobicContact CB-CG1 4.48Å; D174-I176 WeakPolarHBondContact OD1-CG1 3.49Å; D174-I176 VanDerWaalsContact OD2-CD1 3.29Å; D174-I176 WeakPolarHBondContact OD2-CD1 3.49Å; D174-I176 WeakPolarHBondContact OD2-CG1 3.27Å; I176-A233 HydrophobicContact CG2-CB 4.31Å; I176-K234 WeakPolarHBondContact CA-O 3.11Å
177M86.5Confident89Confident0 Ų026.6 Ų26.60%014%0.141CC..EExtended strand (participates in β ladder)trans-112.7119.4162.5-176.5178.5-80.800107.5P145 L147 D179 T180 Y183 F185 A233 K234 P259P145-M177 HydrophobicContact CB-CE 4.21Å; P145-M177 HydrophobicContact CB-CG 4.07Å; P145-M177 HydrophobicContact CB-SD 4.14Å; P145-M177 HydrophobicContact CG-CE 3.9Å; P145-M177 HydrophobicContact CG-SD 4.34Å; L147-M177 HydrophobicContact CD1-CE 4.48Å; L147-M177 HydrophobicContact CD2-CB 3.94Å; L147-M177 HydrophobicContact CD2-CE 3.71Å; L147-M177 HydrophobicContact CD2-CG 4.37Å; L147-M177 HydrophobicContact CG-CE 4.11Å; M177-D179 WeakPolarHBondContact CG-O 3.42Å; M177-T180 HydrophobicContact CB-CG2 4.09Å; M177-T180 HydrophobicContact CG-CG2 3.96Å; M177-T180 HydrophobicContact SD-CG2 4Å; M177-Y183 VanDerWaalsContact SD-CB 3.58Å; M177-F185 HydrophobicContact CB-CD1 3.43Å; M177-F185 VanDerWaalsContact CB-CD1 3.43Å; M177-F185 HydrophobicContact CB-CE1 3.3Å; M177-F185 HydrophobicContact CB-CG 4.45Å; M177-F185 HydrophobicContact CB-CZ 4.24Å; M177-F185 HydrophobicContact CE-CB 3.71Å; M177-F185 HydrophobicContact CE-CD1 3.83Å; M177-F185 HydrophobicContact CE-CG 4.04Å; M177-F185 HydrophobicContact CG-CD1 4.27Å; M177-F185 HydrophobicContact SD-CD1 3.89Å; M177-A233 CarbonylContact O-C 3.46Å; M177-A233 WeakPolarHBondContact O-CA 3.47Å; M177-K234 PolarHBondContact N-O 3.47Å; M177-K234 PolarHBondContact O-N 2.91Å; M177-P259 HydrophobicContact CE-CB 4.01Å
178E82.2Confident89Confident84 Ų8424.1 Ų24.139%0.39313%0.125SC..SBendtrans-73.1-36.7-175.7-66-168.4165.400112.6L146 K148 A233L146-E178 HydrophobicContact CD2-CG 4.48Å; L146-E178 PolarHBondContact O-N 3.41Å; K148-E178 WeakPolarHBondContact CE-OE1 3.21Å; K148-E178 IonicContact NZ-OE1 2.56Å; K148-E178 PolarHBondContact NZ-OE1 3.05Å; E178-A233 WeakPolarHBondContact O-CA 3.48Å; E178-A233 PolarHBondContact O-N 2.84Å
179D75.2Confident89.1Confident47 Ų4725.1 Ų25.125%0.25112%0.12SC..  trans-113.7106.4-176.2-179.10.4000110.5S15 M177 S181S15-D179 WeakPolarHBondContact CB-OD2 3.08Å; S15-D179 PolarHBondContact OG-OD1 3.21Å; S15-D179 VanDerWaalsContact OG-OD1 3.12Å; S15-D179 PolarHBondContact OG-OD2 3.13Å; M177-D179 WeakPolarHBondContact CG-O 3.42Å; D179-S181 WeakPolarHBondContact OD1-CB 3.4Å; D179-S181 PolarHBondContact OD1-N 2.79Å; D179-S181 PolarHBondContact OD1-OG 2.85Å
180T81.1Confident89.2Confident32 Ų3223 Ų2320%0.19611%0.11CC..  trans-12025.6179.5770000112.1M177 Y183 G232 K234M177-T180 HydrophobicContact CB-CG2 4.09Å; M177-T180 HydrophobicContact CG-CG2 3.96Å; M177-T180 HydrophobicContact SD-CG2 4Å; T180-Y183 CarbonylContact C-O 3.59Å; T180-Y183 VanDerWaalsContact CA-O 3.23Å; T180-Y183 WeakPolarHBondContact CA-O 3.5Å; T180-Y183 VanDerWaalsContact CB-O 3.25Å; T180-Y183 WeakPolarHBondContact CB-O 3.49Å; T180-G232 PolarHBondContact OG1-O 3.01Å; T180-K234 HydrophobicContact CG2-CB 3.52Å
181S77.8Confident89.1Confident28 Ų2818.3 Ų18.320%0.1969%0.093CC..SBendtrans-60.4-53.9179.151.90000109.7S15 N60 D179S15-S181 WeakPolarHBondContact CB-OG 3.25Å; S15-S181 WeakPolarHBondContact O-CB 3.35Å; S15-S181 PolarHBondContact O-OG 3.3Å; S15-S181 PolarHBondContact OG-OG 2.94Å; S15-S181 VanDerWaalsContact OG-OG 3.13Å; N60-S181 PolarHBondContact ND2-O 2.98Å; D179-S181 WeakPolarHBondContact OD1-CB 3.4Å; D179-S181 PolarHBondContact OD1-N 2.79Å; D179-S181 PolarHBondContact OD1-OG 2.85Å
182I74.3Confident89Confident2 Ų218.1 Ų18.11%0.019%0.092CC..SBendtrans-113.5-1.9171.958169.6000113.6S15 L59 Y83 Y109 L261 Q262S15-I182 VanDerWaalsContact O-CG2 3.27Å; S15-I182 WeakPolarHBondContact O-CG2 3.34Å; L59-I182 HydrophobicContact CB-CG2 3.78Å; L59-I182 HydrophobicContact CD1-CD1 4.14Å; L59-I182 HydrophobicContact CD1-CG2 3.87Å; L59-I182 HydrophobicContact CG-CG2 4.46Å; Y83-I182 HydrophobicContact CE2-CD1 4.43Å; Y109-I182 HydrophobicContact CD1-CD1 3.76Å; Y109-I182 HydrophobicContact CD2-CD1 4.37Å; Y109-I182 HydrophobicContact CE1-CD1 3.61Å; Y109-I182 HydrophobicContact CE2-CD1 4.26Å; Y109-I182 HydrophobicContact CG-CD1 4.14Å; I182-L261 HydrophobicContact CD1-CD1 4.14Å; I182-L261 HydrophobicContact CG1-CD1 4.45Å; I182-Q262 WeakPolarHBondContact O-CA 3.45Å; I182-Q262 PolarHBondContact O-N 3.05Å
183Y82.9Confident88.8Confident5 Ų518.4 Ų18.42%0.029%0.093CC..EExtended strand (participates in β ladder)trans-108148.6-176.1-59.4-66.7000111.9Y109 M111 G143 P145 M177 T180 C260 L261Y109-Y183 WeakPolarHBondContact CD1-OH 3.34Å; M111-Y183 HydrophobicContact CE-CD1 4Å; M111-Y183 HydrophobicContact CE-CE1 4.26Å; M111-Y183 HydrophobicContact CG-CE1 4.47Å; M111-Y183 HydrophobicContact SD-CD1 3.75Å; M111-Y183 HydrophobicContact SD-CE1 3.39Å; M111-Y183 WeakPolarHBondContact SD-CE1 3.46Å; G143-Y183 PolarHBondContact O-OH 3.43Å; P145-Y183 HydrophobicContact CB-CD2 3.71Å; P145-Y183 HydrophobicContact CB-CE2 4.14Å; P145-Y183 HydrophobicContact CB-CG 4.07Å; P145-Y183 HydrophobicContact CG-CD1 4.09Å; P145-Y183 HydrophobicContact CG-CD2 3.86Å; P145-Y183 HydrophobicContact CG-CE1 4.41Å; P145-Y183 HydrophobicContact CG-CE2 4.18Å; P145-Y183 HydrophobicContact CG-CG 3.8Å; M177-Y183 VanDerWaalsContact SD-CB 3.58Å; T180-Y183 CarbonylContact C-O 3.59Å; T180-Y183 VanDerWaalsContact CA-O 3.23Å; T180-Y183 WeakPolarHBondContact CA-O 3.5Å; T180-Y183 VanDerWaalsContact CB-O 3.25Å; T180-Y183 WeakPolarHBondContact CB-O 3.49Å; Y183-C260 WeakPolarHBondContact CA-O 3.32Å; Y183-L261 HydrophobicContact CD1-CD1 4.17Å; Y183-L261 HydrophobicContact CE1-CD1 3.9Å
184D86.1Confident88.5Confident18 Ų1819 Ų1910%0.09610%0.096CC..EExtended strand (participates in β ladder)trans-132.4168.6166.9-162.39.8000109.4K234 P259 C260 Q262 N263 C264D184-K234 WeakPolarHBondContact OD1-CD 3.43Å; D184-K234 WeakPolarHBondContact OD1-CE 3.38Å; D184-K234 IonicContact OD1-NZ 3.23Å; D184-K234 PolarHBondContact OD1-NZ 2.79Å; D184-K234 IonicContact OD2-NZ 3.07Å; D184-P259 CarbonylContact O-C 3.6Å; D184-P259 WeakPolarHBondContact O-CA 3.46Å; D184-C260 HydrophobicContact CB-CB 4.44Å; D184-C260 PolarHBondContact N-O 2.56Å; D184-C260 PolarHBondContact O-N 2.91Å; D184-Q262 WeakPolarHBondContact CB-O 3.36Å; D184-N263 WeakPolarHBondContact OD2-CA 3.5Å; D184-C264 PolarHBondContact OD2-N 3.22Å
185F88.8Confident88.1Confident0 Ų020.9 Ų20.90%012%0.116CC..EExtended strand (participates in β ladder)trans-154.3160.9170.974.5-76.8000112.2L147 V175 M177 V187 K234 V236 V257 R258 P259L147-F185 HydrophobicContact CD2-CD2 4.4Å; L147-F185 HydrophobicContact CD2-CG 4.3Å; V175-F185 HydrophobicContact CB-CE2 4.21Å; V175-F185 HydrophobicContact CG1-CD2 4.47Å; V175-F185 HydrophobicContact CG1-CE2 3.67Å; V175-F185 HydrophobicContact CG1-CZ 4.32Å; V175-F185 WeakPolarHBondContact O-CZ 3.28Å; M177-F185 HydrophobicContact CB-CD1 3.43Å; M177-F185 VanDerWaalsContact CB-CD1 3.43Å; M177-F185 HydrophobicContact CB-CE1 3.3Å; M177-F185 HydrophobicContact CB-CG 4.45Å; M177-F185 HydrophobicContact CB-CZ 4.24Å; M177-F185 HydrophobicContact CE-CB 3.71Å; M177-F185 HydrophobicContact CE-CD1 3.83Å; M177-F185 HydrophobicContact CE-CG 4.04Å; M177-F185 HydrophobicContact CG-CD1 4.27Å; M177-F185 HydrophobicContact SD-CD1 3.89Å; F185-V187 HydrophobicContact CD2-CG2 4.01Å; F185-V187 HydrophobicContact CE2-CG2 3.72Å; F185-K234 HydrophobicContact CD1-CD 4.06Å; F185-K234 HydrophobicContact CE1-CB 3.88Å; F185-K234 HydrophobicContact CE1-CD 3.87Å; F185-K234 HydrophobicContact CE1-CG 3.89Å; F185-K234 WeakPolarHBondContact CE1-O 3.45Å; F185-K234 PolarHBondContact O-NZ 3.45Å; F185-V236 HydrophobicContact CD2-CG2 4.44Å; F185-V236 HydrophobicContact CE2-CB 4.06Å; F185-V236 HydrophobicContact CE2-CG2 3.7Å; F185-V236 HydrophobicContact CZ-CB 4.29Å; F185-V236 HydrophobicContact CZ-CG2 3.81Å; F185-V257 HydrophobicContact CB-CG1 4.28Å; F185-V257 HydrophobicContact CD2-CG1 3.73Å; F185-V257 HydrophobicContact CG-CG1 4.37Å; F185-R258 WeakPolarHBondContact CA-O 3.3Å; F185-P259 HydrophobicContact CB-CB 4.37Å
186Y90.9Very high87.5Confident19 Ų1924.3 Ų24.38%0.07514%0.137CC..EExtended strand (participates in β ladder)trans-134.3157.516678-88.2000111H188 R258 C264Y186-H188 HydrophobicContact CD2-CB 4.38Å; Y186-H188 AromaticContact CD2-CD2 3.97Å; Y186-H188 HydrophobicContact CE2-CB 3.99Å; Y186-H188 AromaticContact CE2-CD2 3.26Å; Y186-H188 WeakPolarHBondContact CE2-CD2 3.29Å; Y186-H188 AromaticContact CE2-CG 3.82Å; Y186-H188 AromaticContact CZ-CD2 3.84Å; Y186-R258 HydrophobicContact CD1-CB 4.13Å; Y186-R258 HydrophobicContact CE1-CB 3.58Å; Y186-R258 HydrophobicContact CE1-CG 3.84Å; Y186-R258 PolarHBondContact N-O 2.04Å; Y186-R258 PolarHBondContact O-N 2.74Å; Y186-R258 WeakPolarHBondContact OH-CD 3.05Å; Y186-C264 HydrophobicContact CD1-CB 4.44Å
187V93.5Very high86.9Confident0 Ų028 Ų280%016%0.156CC..EExtended strand (participates in β ladder)trans-113.2135.2-176.6-1740000109.5V175 F185 C190 I206 G210 V236 C255 V257 Q268V175-V187 HydrophobicContact CB-CG2 3.84Å; V175-V187 HydrophobicContact CG1-CG2 3.85Å; V175-V187 HydrophobicContact CG2-CG1 4.28Å; V175-V187 HydrophobicContact CG2-CG2 4Å; F185-V187 HydrophobicContact CD2-CG2 4.01Å; F185-V187 HydrophobicContact CE2-CG2 3.72Å; V187-C190 WeakPolarHBondContact CG1-SG 3.48Å; V187-I206 HydrophobicContact CG1-CD1 4.12Å; V187-G210 WeakPolarHBondContact O-CA 3.39Å; V187-V236 HydrophobicContact CB-CG1 4Å; V187-V236 HydrophobicContact CG2-CB 3.78Å; V187-V236 HydrophobicContact CG2-CG1 3.7Å; V187-V236 HydrophobicContact CG2-CG2 4.28Å; V187-C255 HydrophobicContact CG1-CB 4.06Å; V187-V257 HydrophobicContact CG1-CG2 4.38Å; V187-V257 HydrophobicContact CG2-CG2 4.23Å; V187-Q268 PolarHBondContact O-NE2 2.86Å
188H93.4Very high86.8Confident12 Ų1231.8 Ų31.86%0.05618%0.176CC..EExtended strand (participates in β ladder)trans-146.2168.2177.965.299.3000111.6Y186 C190 Q256Y186-H188 HydrophobicContact CD2-CB 4.38Å; Y186-H188 AromaticContact CD2-CD2 3.97Å; Y186-H188 HydrophobicContact CE2-CB 3.99Å; Y186-H188 AromaticContact CE2-CD2 3.26Å; Y186-H188 WeakPolarHBondContact CE2-CD2 3.29Å; Y186-H188 AromaticContact CE2-CG 3.82Å; Y186-H188 AromaticContact CZ-CD2 3.84Å; H188-C190 VanDerWaalsContact C-N 3.33Å; H188-C190 PolarHBondContact O-N 2.96Å; H188-Q256 VanDerWaalsContact CE1-CB 3.49Å; H188-Q256 WeakPolarHBondContact CE1-CB 3.33Å; H188-Q256 PolarHBondContact N-O 2.88Å; H188-Q256 CarbonylContact O-C 3.35Å; H188-Q256 WeakPolarHBondContact O-CA 3.4Å; H188-Q256 WeakPolarHBondContact O-CB 3.34Å; H188-Q256 PolarHBondContact O-N 2.83Å
189D93.8Very high86.8Confident67 Ų6732.8 Ų32.836%0.35819%0.19SC..EExtended strand (participates in β ladder)trans49.450.4175.8-65.2-62.8000113.1I206 D207 Q208 Q256D189-I206 CarbonylContact C-O 3.57Å; D189-I206 WeakPolarHBondContact CA-O 3.38Å; D189-I206 PolarHBondContact N-O 2.83Å; D189-D207 PolarHBondContact N-O 3.43Å; D189-Q208 VanDerWaalsContact OD1-CA 3.26Å; D189-Q208 WeakPolarHBondContact OD1-CA 3.41Å; D189-Q208 WeakPolarHBondContact OD1-CB 3.46Å; D189-Q208 PolarHBondContact OD1-N 3.39Å; D189-Q256 HydrophobicContact CB-CB 4.29Å; D189-Q256 HydrophobicContact CB-CG 4.02Å
190C95.9Very high87.2Confident1 Ų139.3 Ų39.31%0.00722%0.219CC..EExtended strand (participates in β ladder)trans-87.8130.4173.2-650000111.6V187 H188 I205 I206 Q254 C255V187-C190 WeakPolarHBondContact CG1-SG 3.48Å; H188-C190 VanDerWaalsContact C-N 3.33Å; H188-C190 PolarHBondContact O-N 2.96Å; C190-I205 HydrophobicContact CB-CB 4.13Å; C190-I205 PolarHBondContact O-N 3.46Å; C190-I206 HydrophobicContact CB-CB 3.68Å; C190-I206 HydrophobicContact CB-CD1 4.38Å; C190-I206 HydrophobicContact CB-CG1 3.91Å; C190-I206 PolarHBondContact N-O 3.48Å; C190-I206 PolarHBondContact O-N 3.32Å; C190-I206 VanDerWaalsContact O-N 3.12Å; C190-Q254 CarbonylContact C-O 3.52Å; C190-Q254 WeakPolarHBondContact CA-O 3.45Å; C190-C255 HydrophobicContact CB-CB 4.12Å; C190-C255 WeakPolarHBondContact CB-SG 3.49Å; C190-C255 WeakPolarHBondContact SG-CB 3.5Å; C190-C255 CovalentContact SG-SG 2.03Å; C190-C255 PolarHBondContact SG-SG 3.25Å
191Y95.2Very high87.4Confident57 Ų5739.1 Ų39.122%0.22422%0.218CC..EExtended strand (participates in β ladder)trans-140.3149.1175.159.1-84.3000112.2H193 N197 I203 V253 Q254Y191-H193 AromaticContact CD2-CD2 3.83Å; Y191-H193 AromaticContact CE2-CD2 3.62Å; Y191-N197 VanDerWaalsContact CE2-OD1 3.29Å; Y191-N197 WeakPolarHBondContact CE2-OD1 3Å; Y191-N197 PolarHBondContact OH-ND2 3.02Å; Y191-I203 CarbonylContact C-O 3.56Å; Y191-I203 WeakPolarHBondContact CA-O 3.49Å; Y191-I203 WeakPolarHBondContact CB-O 3.39Å; Y191-V253 WeakPolarHBondContact O-CA 3.23Å; Y191-Q254 HydrophobicContact CE1-CB 4.11Å; Y191-Q254 HydrophobicContact CE2-CB 4.12Å; Y191-Q254 HydrophobicContact CE2-CG 4.42Å; Y191-Q254 PolarHBondContact N-O 3.09Å; Y191-Q254 PolarHBondContact O-N 2.86Å; Y191-Q254 PolarHBondContact OH-OE1 2.99Å
192A94.1Very high88Confident0 Ų040 Ų400%022%0.224CC..EExtended strand (participates in β ladder)trans-101.1140.3169.600000110.7S202 I203 I205 F243 F245 V251 Y252 V253A192-S202 CarbonylContact O-C 3.54Å; A192-S202 VanDerWaalsContact O-CA 3.3Å; A192-S202 WeakPolarHBondContact O-CA 3.43Å; A192-I203 PolarHBondContact N-O 2.9Å; A192-I203 PolarHBondContact O-N 2.99Å; A192-I205 HydrophobicContact CB-CD1 3.86Å; A192-I205 HydrophobicContact CB-CG1 4.49Å; A192-F243 HydrophobicContact CB-CE2 4.04Å; A192-F243 HydrophobicContact CB-CZ 3.62Å; A192-F245 HydrophobicContact CB-CZ 4.4Å; A192-V251 HydrophobicContact CB-CG1 3.85Å; A192-Y252 CarbonylContact C-O 3.52Å; A192-Y252 WeakPolarHBondContact CA-O 3.31Å; A192-V253 HydrophobicContact CB-CG2 4.33Å
193H93.3Very high88.9Confident7 Ų742 Ų423%0.03223%0.234CC..EExtended strand (participates in β ladder)trans-144.1167.4173.466.197.3000112.5Y191 G195 N197 T201 Y252 Q254Y191-H193 AromaticContact CD2-CD2 3.83Å; Y191-H193 AromaticContact CE2-CD2 3.62Å; H193-G195 VanDerWaalsContact C-N 3.27Å; H193-G195 WeakPolarHBondContact ND1-CA 3.05Å; H193-G195 PolarHBondContact ND1-N 2.79Å; H193-G195 PolarHBondContact O-N 2.83Å; H193-N197 PolarHBondContact ND1-N 3.28Å; H193-T201 VanDerWaalsContact CA-O 3.29Å; H193-T201 WeakPolarHBondContact CA-O 3.39Å; H193-T201 WeakPolarHBondContact CB-O 3.21Å; H193-Y252 PolarHBondContact CD2-O 3.39Å; H193-Y252 PolarHBondContact N-O 3.01Å; H193-Y252 WeakPolarHBondContact NE2-CB 3.3Å; H193-Y252 PolarHBondContact O-N 2.98Å; H193-Q254 VanDerWaalsContact NE2-CD 3.34Å
194D90.3Very high89.4Confident14 Ų1444.3 Ų44.38%0.07525%0.251CS..SBendtrans-84.25-177.169-12.3000114.6T196 T201 F245 T247D194-T196 WeakPolarHBondContact OD1-CB 3.47Å; D194-T196 WeakPolarHBondContact OD1-CG2 3.26Å; D194-T196 PolarHBondContact OD1-N 2.87Å; D194-T196 PolarHBondContact OD1-OG1 2.97Å; D194-T201 PolarHBondContact OD1-OG1 2.97Å; D194-F245 HydrophobicContact CB-CB 3.81Å; D194-F245 HydrophobicContact CB-CD2 3.73Å; D194-F245 HydrophobicContact CB-CE2 4.47Å; D194-F245 HydrophobicContact CB-CG 3.76Å; D194-T247 WeakPolarHBondContact CB-OG1 3.15Å; D194-T247 WeakPolarHBondContact OD2-CB 3.32Å; D194-T247 PolarHBondContact OD2-OG1 3.49Å
195G86.8Confident89.9Confident40 Ų4043.4 Ų43.441%0.41225%0.246SC..SBendtrans101.7-15.6-172.800000114.8H193H193-G195 VanDerWaalsContact C-N 3.27Å; H193-G195 WeakPolarHBondContact ND1-CA 3.05Å; H193-G195 PolarHBondContact ND1-N 2.79Å; H193-G195 PolarHBondContact O-N 2.83Å
196T83.8Confident90.2Very high76 Ų7643.7 Ų43.747%0.46625%0.248SC..SBendtrans-80.6-23.7176.763.30000113.3D194 I198 T201D194-T196 WeakPolarHBondContact OD1-CB 3.47Å; D194-T196 WeakPolarHBondContact OD1-CG2 3.26Å; D194-T196 PolarHBondContact OD1-N 2.87Å; D194-T196 PolarHBondContact OD1-OG1 2.97Å; T196-I198 PolarHBondContact O-N 2.03Å; T196-T201 PolarHBondContact OG1-OG1 3.49Å
197N78.4Confident90.3Very high78 Ų7844.4 Ų44.442%0.41725%0.253SS..  trans54.437.6-177.7-157.8-0.5000113Y191 H193Y191-N197 VanDerWaalsContact CE2-OD1 3.29Å; Y191-N197 WeakPolarHBondContact CE2-OD1 3Å; Y191-N197 PolarHBondContact OH-ND2 3.02Å; H193-N197 PolarHBondContact ND1-N 3.28Å
198I85.5Confident90.1Very high80 Ų8048.6 Ų48.641%0.4127%0.272SS..  trans-96.2142.9175-56.9171.2000107.7T196 E200 T201 S202T196-I198 PolarHBondContact O-N 2.03Å; I198-E200 HydrophobicContact CG2-CB 4.43Å; I198-E200 PolarHBondContact O-N 2.84Å; I198-E200 VanDerWaalsContact O-N 3.09Å; I198-T201 CarbonylContact O-C 3.58Å; I198-T201 PolarHBondContact O-N 2.83Å; I198-T201 PolarHBondContact O-OG1 2.83Å; I198-S202 PolarHBondContact O-N 3.15Å
199P82.3Confident89.9Confident106 Ų10650.7 Ų50.769%0.68828%0.284SS*.G310 helixtrans-54.3-33.4-177.7-29.235.5000114.7T201 S202P199-T201 VanDerWaalsContact C-N 3.31Å; P199-T201 PolarHBondContact O-N 2.74Å; P199-S202 WeakPolarHBondContact CA-OG 3.46Å; P199-S202 PolarHBondContact O-N 2.69Å; P199-S202 PolarHBondContact O-OG 2.73Å
200E82.4Confident89.8Confident183 Ų18347.5 Ų47.586%0.85527%0.267SS*.G310 helixtrans-68.3-27.3-178.8-65.6163.2-174.200113.5I198I198-E200 HydrophobicContact CG2-CB 4.43Å; I198-E200 PolarHBondContact O-N 2.84Å; I198-E200 VanDerWaalsContact O-N 3.09Å
201T86.1Confident89.7Confident29 Ų2948.5 Ų48.518%0.17827%0.273CS..G310 helixtrans-110.424.5176.653.40000111H193 D194 T196 I198 P199 F245H193-T201 VanDerWaalsContact CA-O 3.29Å; H193-T201 WeakPolarHBondContact CA-O 3.39Å; H193-T201 WeakPolarHBondContact CB-O 3.21Å; D194-T201 PolarHBondContact OD1-OG1 2.97Å; T196-T201 PolarHBondContact OG1-OG1 3.49Å; I198-T201 CarbonylContact O-C 3.58Å; I198-T201 PolarHBondContact O-N 2.83Å; I198-T201 PolarHBondContact O-OG1 2.83Å; P199-T201 VanDerWaalsContact C-N 3.31Å; P199-T201 PolarHBondContact O-N 2.74Å; T201-F245 WeakPolarHBondContact O-CE1 3.47Å; T201-F245 WeakPolarHBondContact O-CZ 3.27Å
202S90.4Very high89.6Confident46 Ų4646.4 Ų46.432%0.32227%0.268SS..EExtended strand (participates in β ladder)trans-113.8138.8177.278.40000111.2A192 I198 P199A192-S202 CarbonylContact O-C 3.54Å; A192-S202 VanDerWaalsContact O-CA 3.3Å; A192-S202 WeakPolarHBondContact O-CA 3.43Å; I198-S202 PolarHBondContact O-N 3.15Å; P199-S202 WeakPolarHBondContact CA-OG 3.46Å; P199-S202 PolarHBondContact O-N 2.69Å; P199-S202 PolarHBondContact O-OG 2.73Å
203I92.4Very high89.5Confident43 Ų4348.7 Ų48.722%0.22128%0.282CS..EExtended strand (participates in β ladder)trans-126.1122.4-179.8-65.8173.7000108.3Y191 A192 L215 F243 F245Y191-I203 CarbonylContact C-O 3.56Å; Y191-I203 WeakPolarHBondContact CA-O 3.49Å; Y191-I203 WeakPolarHBondContact CB-O 3.39Å; A192-I203 PolarHBondContact N-O 2.9Å; A192-I203 PolarHBondContact O-N 2.99Å; I203-L215 HydrophobicContact CD1-CD2 4.29Å; I203-L215 HydrophobicContact CG2-CD2 3.41Å; I203-L215 VanDerWaalsContact CG2-CD2 3.41Å; I203-F243 HydrophobicContact CD1-CD2 4.49Å; I203-F243 HydrophobicContact CD1-CE2 4.1Å; I203-F245 HydrophobicContact CD1-CE1 3.62Å; I203-F245 HydrophobicContact CD1-CZ 3.81Å; I203-F245 HydrophobicContact CG1-CE1 3.93Å; I203-F245 HydrophobicContact CG1-CZ 4.1Å
204S94.1Very high89.4Confident54 Ų5454.9 Ų54.938%0.37831%0.311SS..EExtended strand (participates in β ladder)trans-69.4128.1173.9-176.40000110.9T213S204-T213 PolarHBondContact OG-OG1 3.06Å; S204-T213 VanDerWaalsContact OG-OG1 3.05Å
205I95.7Very high89.5Confident0 Ų057.3 Ų57.30%032%0.324CS..EExtended strand (participates in β ladder)trans-106.7-46.4174.4-59.9169.1000109.8L173 C190 A192 A212 T213 V219 V238 M240 V253L173-I205 HydrophobicContact CD2-CG2 4.45Å; C190-I205 HydrophobicContact CB-CB 4.13Å; C190-I205 PolarHBondContact O-N 3.46Å; A192-I205 HydrophobicContact CB-CD1 3.86Å; A192-I205 HydrophobicContact CB-CG1 4.49Å; I205-A212 CarbonylContact O-C 3.56Å; I205-A212 VanDerWaalsContact O-CA 3.3Å; I205-A212 WeakPolarHBondContact O-CA 3.03Å; I205-T213 PolarHBondContact O-N 2.05Å; I205-V219 HydrophobicContact CG1-CG2 4.22Å; I205-V219 HydrophobicContact CG2-CG1 4.04Å; I205-V219 HydrophobicContact CG2-CG2 4.35Å; I205-V238 HydrophobicContact CG2-CG1 4.25Å; I205-M240 HydrophobicContact CD1-SD 3.95Å; I205-M240 HydrophobicContact CG2-SD 4.01Å; I205-V253 HydrophobicContact CD1-CG1 3.84Å; I205-V253 HydrophobicContact CD1-CG2 4.28Å
206I95.3Very high89.7Confident5 Ų560.3 Ų60.33%0.02634%0.339CS..EExtended strand (participates in β ladder)trans-129.5129.9174.4-55.7-175.5000107.2V187 D189 C190 G210 C211 V238V187-I206 HydrophobicContact CG1-CD1 4.12Å; D189-I206 CarbonylContact C-O 3.57Å; D189-I206 WeakPolarHBondContact CA-O 3.38Å; D189-I206 PolarHBondContact N-O 2.83Å; C190-I206 HydrophobicContact CB-CB 3.68Å; C190-I206 HydrophobicContact CB-CD1 4.38Å; C190-I206 HydrophobicContact CB-CG1 3.91Å; C190-I206 PolarHBondContact N-O 3.48Å; C190-I206 PolarHBondContact O-N 3.32Å; C190-I206 VanDerWaalsContact O-N 3.12Å; I206-G210 VanDerWaalsContact CG2-C 3.44Å; I206-C211 WeakPolarHBondContact CA-O 3.08Å; I206-V238 HydrophobicContact CD1-CG2 3.72Å; I206-V238 HydrophobicContact CG1-CG2 3.96Å
207D92.8Very high90Very high34 Ų3467.7 Ų67.718%0.18236%0.358CS..  trans-76.8176.6179.665.318.8000112.9D189 D209 G210 C211D189-D207 PolarHBondContact N-O 3.43Å; D207-D209 PolarHBondContact O-N 2.87Å; D207-D209 WeakPolarHBondContact OD1-CA 3.45Å; D207-D209 WeakPolarHBondContact OD1-CB 3.03Å; D207-D209 PolarHBondContact OD1-N 3.14Å; D207-G210 PolarHBondContact O-N 2.9Å; D207-G210 VanDerWaalsContact O-N 3.09Å; D207-G210 PolarHBondContact OD1-N 2.86Å; D207-C211 PolarHBondContact N-O 2.87Å; D207-C211 PolarHBondContact OD1-N 3.11Å
208Q90.8Very high90.7Very high88 Ų8864.3 Ų64.341%0.41134%0.341SS..THydrogen-bonded Turntrans-53.9-19.9171.971.9-172.8-3.100113.5D189 R266D189-Q208 VanDerWaalsContact OD1-CA 3.26Å; D189-Q208 WeakPolarHBondContact OD1-CA 3.41Å; D189-Q208 WeakPolarHBondContact OD1-CB 3.46Å; D189-Q208 PolarHBondContact OD1-N 3.39Å; Q208-R266 PolarHBondContact O-NH1 2.46Å
209D88.7Confident91.1Very high57 Ų5760.5 Ų60.531%0.30532%0.321SS..THydrogen-bonded Turntrans-94.5-2.5-175.5-71-51.2000113.6D207 C211 R266D207-D209 PolarHBondContact O-N 2.87Å; D207-D209 WeakPolarHBondContact OD1-CA 3.45Å; D207-D209 WeakPolarHBondContact OD1-CB 3.03Å; D207-D209 PolarHBondContact OD1-N 3.14Å; D209-C211 VanDerWaalsContact C-N 3.32Å; D209-R266 VanDerWaalsContact CB-NH2 3.3Å; D209-R266 PolarHBondContact O-NH2 3.48Å; D209-R266 IonicContact OD1-CZ 3.79Å; D209-R266 IonicContact OD1-NH1 2.83Å; D209-R266 IonicContact OD1-NH2 3.61Å; D209-R266 PolarHBondContact OD1-NH2 2.91Å
210G91Very high91.6Very high0 Ų057.8 Ų57.80%030%0.301CS..SBendtrans79.613.9-17600000113.1V187 I206 D207 Q268V187-G210 WeakPolarHBondContact O-CA 3.39Å; I206-G210 VanDerWaalsContact CG2-C 3.44Å; D207-G210 PolarHBondContact O-N 2.9Å; D207-G210 VanDerWaalsContact O-N 3.09Å; D207-G210 PolarHBondContact OD1-N 2.86Å; G210-Q268 PolarHBondContact O-NE2 3.49Å
211C93.5Very high92.1Very high21 Ų2152.2 Ų52.214%0.14228%0.279CS..  trans-96.4133.2178.6-62.60000110.5I206 D207 D209 T213 C269I206-C211 WeakPolarHBondContact CA-O 3.08Å; D207-C211 PolarHBondContact N-O 2.87Å; D207-C211 PolarHBondContact OD1-N 3.11Å; D209-C211 VanDerWaalsContact C-N 3.32Å; C211-T213 PolarHBondContact O-N 2.82Å; C211-C269 HydrophobicContact CB-CB 3.99Å; C211-C269 WeakPolarHBondContact CB-SG 3.42Å; C211-C269 VanDerWaalsContact SG-CA 3.52Å; C211-C269 WeakPolarHBondContact SG-CB 3.19Å; C211-C269 CovalentContact SG-SG 2.05Å; C211-C269 PolarHBondContact SG-SG 2.93Å
212A93.8Very high92.4Very high14 Ų1454.2 Ų54.212%0.11629%0.292CS..BIsolated β-bridgetrans-61.1133.9173.600000110.3I205 V221 A223 V238I205-A212 CarbonylContact O-C 3.56Å; I205-A212 VanDerWaalsContact O-CA 3.3Å; I205-A212 WeakPolarHBondContact O-CA 3.03Å; A212-V221 HydrophobicContact CB-CG1 3.98Å; A212-V221 VanDerWaalsContact O-CG1 3.24Å; A212-V221 WeakPolarHBondContact O-CG1 3.41Å; A212-A223 HydrophobicContact CB-CB 4.14Å; A212-V238 HydrophobicContact CB-CG1 4.25Å; A212-V238 HydrophobicContact CB-CG2 4.11Å
213T92.2Very high92.5Very high48 Ų4852.7 Ų52.729%0.29428%0.283SS..  trans-91114.9177.1-56.30000108.6S204 I205 C211 L215 V219S204-T213 PolarHBondContact OG-OG1 3.06Å; S204-T213 VanDerWaalsContact OG-OG1 3.05Å; I205-T213 PolarHBondContact O-N 2.05Å; C211-T213 PolarHBondContact O-N 2.82Å; T213-L215 PolarHBondContact O-N 2.88Å; T213-V219 WeakPolarHBondContact O-CG1 3.39Å
214Q91.7Very high92.6Very high137 Ų13753.8 Ų53.864%0.6429%0.286SS*.  trans-64.5123.7-179.7-170.7172.35.800110.8V221Q214-V221 HydrophobicContact CB-CG1 3.67Å; Q214-V221 HydrophobicContact CB-CG2 4.34Å; Q214-V221 HydrophobicContact CG-CG1 4.42Å; Q214-V221 HydrophobicContact CG-CG2 4.42Å
215L91.8Very high92.5Very high65 Ų6554.4 Ų54.434%0.3429%0.288SS..BIsolated β-bridgetrans-128.4112.9171.4-174.663.4000109.2I203 T213 R217 A218 V219I203-L215 HydrophobicContact CD1-CD2 4.29Å; I203-L215 HydrophobicContact CG2-CD2 3.41Å; I203-L215 VanDerWaalsContact CG2-CD2 3.41Å; T213-L215 PolarHBondContact O-N 2.88Å; L215-R217 PolarHBondContact O-N 3.1Å; L215-A218 HydrophobicContact CB-CB 4.18Å; L215-A218 HydrophobicContact CD2-CB 3.64Å; L215-A218 HydrophobicContact CG-CB 3.85Å; L215-A218 PolarHBondContact O-N 3.4Å; L215-V219 HydrophobicContact CB-CB 4.07Å; L215-V219 HydrophobicContact CB-CG2 4.22Å; L215-V219 PolarHBondContact N-O 2.86Å; L215-V219 PolarHBondContact O-N 2.99Å
216S90.5Very high92.3Very high103 Ų10356.9 Ų56.972%0.7230%0.303SS*.THydrogen-bonded Turntrans-52.7124.8-176.5-59.50000111.3A218S216-A218 VanDerWaalsContact C-N 3.27Å; S216-A218 PolarHBondContact O-N 2.68Å
217R90.3Very high92Very high231 Ų23160.2 Ų60.287%0.87232%0.324SS*.THydrogen-bonded Turntrans69.29.8-178.8-48.7177.9171.6-142-1.8116.1L215 Y241L215-R217 PolarHBondContact O-N 3.1Å; R217-Y241 WeakPolarHBondContact O-CB 3.34Å
218A93.1Very high91.6Very high7 Ų761.8 Ų61.86%0.05833%0.33CS..THydrogen-bonded Turntrans-133.4-44.6-179.900000113.2L215 S216 M240 Y241 F243L215-A218 HydrophobicContact CB-CB 4.18Å; L215-A218 HydrophobicContact CD2-CB 3.64Å; L215-A218 HydrophobicContact CG-CB 3.85Å; L215-A218 PolarHBondContact O-N 3.4Å; S216-A218 VanDerWaalsContact C-N 3.27Å; S216-A218 PolarHBondContact O-N 2.68Å; A218-M240 CarbonylContact O-C 3.47Å; A218-M240 WeakPolarHBondContact O-CA 3.48Å; A218-M240 VanDerWaalsContact O-CB 3.3Å; A218-M240 WeakPolarHBondContact O-CB 3.46Å; A218-Y241 PolarHBondContact O-N 2.84Å; A218-F243 HydrophobicContact CB-CD1 3.84Å; A218-F243 HydrophobicContact CB-CE1 4.39Å; A218-F243 HydrophobicContact CB-CG 4.37Å
219V95Very high91Very high0 Ų062.7 Ų62.70%035%0.352CS..BIsolated β-bridgetrans-136.2124.7-176.2-175.30000110.3I205 T213 L215 V238 M240I205-V219 HydrophobicContact CG1-CG2 4.22Å; I205-V219 HydrophobicContact CG2-CG1 4.04Å; I205-V219 HydrophobicContact CG2-CG2 4.35Å; T213-V219 WeakPolarHBondContact O-CG1 3.39Å; L215-V219 HydrophobicContact CB-CB 4.07Å; L215-V219 HydrophobicContact CB-CG2 4.22Å; L215-V219 PolarHBondContact N-O 2.86Å; L215-V219 PolarHBondContact O-N 2.99Å; V219-V238 HydrophobicContact CG1-CG1 3.73Å; V219-M240 HydrophobicContact CG2-CG 4.37Å
220D93Very high90.6Very high49 Ų4964.7 Ų64.726%0.26237%0.371SS..  trans-91159.5174.6-72.3-25.3000111.7H155 H239 Y241H155-D220 IonicContact CE1-OD2 3.28Å; D220-H239 HydrophobicContact CB-CB 4.08Å; D220-H239 PolarHBondContact N-O 2.89Å; D220-Y241 WeakPolarHBondContact OD2-CE2 3.49Å; D220-Y241 PolarHBondContact OD2-OH 2.9Å
221V91.1Very high90.2Very high66 Ų6668.9 Ų68.940%0.440%0.396SS..SBendtrans-118.4149.4173.7-660000110A212 Q214A212-V221 HydrophobicContact CB-CG1 3.98Å; A212-V221 VanDerWaalsContact O-CG1 3.24Å; A212-V221 WeakPolarHBondContact O-CG1 3.41Å; Q214-V221 HydrophobicContact CB-CG1 3.67Å; Q214-V221 HydrophobicContact CB-CG2 4.34Å; Q214-V221 HydrophobicContact CG-CG1 4.42Å; Q214-V221 HydrophobicContact CG-CG2 4.42Å
222P92.8Very high89.7Confident70 Ų7069.2 Ų69.246%0.45540%0.404SS..  cis-86.8-177.70.337.3-37.6000113.7F224P222-F224 HydrophobicContact CG-CD1 4.42Å; P222-F224 HydrophobicContact CG-CE1 3.94Å; P222-F224 HydrophobicContact CG-CZ 4.04Å; P222-F224 WeakPolarHBondContact O-CD2 3.15Å; P222-F224 VanDerWaalsContact O-CE2 3.25Å; P222-F224 WeakPolarHBondContact O-CE2 3.25Å
223A92.6Very high89.5Confident14 Ų1468.9 Ų68.912%0.11640%0.401CS..  trans-75.5137.4158.600000109.4A212 V238 Q268A212-A223 HydrophobicContact CB-CB 4.14Å; A223-V238 HydrophobicContact CB-CG2 3.7Å; A223-Q268 HydrophobicContact CB-CG 4.32Å
224F93.9Very high89.5Confident66 Ų6667.6 Ų67.629%0.28939%0.391SS..EExtended strand (participates in β ladder)trans-104.4153.2-177.8-60.3-83.1000110.8P222 V236 Y237 H239P222-F224 HydrophobicContact CG-CD1 4.42Å; P222-F224 HydrophobicContact CG-CE1 3.94Å; P222-F224 HydrophobicContact CG-CZ 4.04Å; P222-F224 WeakPolarHBondContact O-CD2 3.15Å; P222-F224 VanDerWaalsContact O-CE2 3.25Å; P222-F224 WeakPolarHBondContact O-CE2 3.25Å; F224-V236 WeakPolarHBondContact O-CA 3.43Å; F224-Y237 HydrophobicContact CB-CD1 4.02Å; F224-Y237 HydrophobicContact CB-CD2 4.03Å; F224-Y237 HydrophobicContact CB-CE1 3.54Å; F224-Y237 HydrophobicContact CB-CE2 3.57Å; F224-Y237 HydrophobicContact CB-CG 4.25Å; F224-Y237 HydrophobicContact CD2-CD2 4.16Å; F224-Y237 AromaticContact CD2-CE2 3.76Å; F224-Y237 HydrophobicContact CD2-CE2 3.76Å; F224-Y237 HydrophobicContact CG-CD2 4.48Å; F224-Y237 AromaticContact CG-CE2 3.85Å; F224-Y237 HydrophobicContact CG-CE2 3.85Å; F224-Y237 AromaticContact CG-CZ 3.92Å; F224-Y237 PolarHBondContact N-O 2.93Å; F224-Y237 PolarHBondContact O-N 3.05Å; F224-H239 AromaticContact CD2-CE1 3.99Å; F224-H239 AromaticContact CE2-CE1 3.5Å; F224-H239 VanDerWaalsContact CE2-CE1 3.5Å; F224-H239 WeakPolarHBondContact CE2-CE1 2.98Å; F224-H239 AromaticContact CE2-ND1 3.52Å
225T92.9Very high89.6Confident67 Ų6761.7 Ų61.741%0.41136%0.364SS..EExtended strand (participates in β ladder)trans-133.6131.8173.4-56.50000109K234 H235 V236 Q268T225-K234 HydrophobicContact CG2-CD 4.46Å; T225-K234 HydrophobicContact CG2-CG 4.33Å; T225-H235 VanDerWaalsContact CA-O 3.32Å; T225-H235 WeakPolarHBondContact CA-O 2.92Å; T225-V236 HydrophobicContact CG2-CG2 4.31Å; T225-Q268 WeakPolarHBondContact OG1-CB 3.35Å
226T91.8Very high89.8Confident53 Ų5358.7 Ų58.733%0.32535%0.348SS..EExtended strand (participates in β ladder)trans-146.7154.8175.9-1670000110.3I157 H235 Y237I157-T226 HydrophobicContact CD1-CG2 3.61Å; T226-H235 HydrophobicContact CG2-CB 3.89Å; T226-H235 PolarHBondContact N-O 3.02Å; T226-H235 PolarHBondContact O-N 3.47Å; T226-Y237 HydrophobicContact CG2-CD1 4.43Å; T226-Y237 HydrophobicContact CG2-CE1 3.72Å
227T89.5Confident90.1Very high75 Ų7555.6 Ų55.646%0.4632%0.321SS..EExtended strand (participates in β ladder)trans-123126.5176.4-54.10000108.3A229 G232 A233T227-A229 PolarHBondContact O-N 3.47Å; T227-G232 VanDerWaalsContact CG2-O 3.27Å; T227-G232 WeakPolarHBondContact CG2-O 3.41Å; T227-A233 CarbonylContact C-O 3.52Å; T227-A233 WeakPolarHBondContact CA-O 3.11Å
228H84.5Confident90.4Very high66 Ų6644.6 Ų44.631%0.30628%0.279SS..  trans-76.1117.2-176.9-163.3-86000110S230 T231 G232 A233H228-S230 VanDerWaalsContact C-N 3.27Å; H228-S230 PolarHBondContact CE1-OG 3.15Å; H228-S230 PolarHBondContact ND1-OG 2.91Å; H228-S230 PolarHBondContact O-N 2.97Å; H228-S230 VanDerWaalsContact O-N 3.15Å; H228-T231 WeakPolarHBondContact CB-OG1 3.23Å; H228-T231 PolarHBondContact ND1-OG1 2.9Å; H228-T231 PolarHBondContact O-N 2.55Å; H228-G232 WeakPolarHBondContact O-CA 3.27Å; H228-G232 PolarHBondContact O-N 3Å; H228-A233 PolarHBondContact N-O 2.83Å
229A77.7Confident90.5Very high107 Ų10745.8 Ų45.888%0.88428%0.283SS*.THydrogen-bonded Turntrans-61.4-29.5-168.600000114.8T227T227-A229 PolarHBondContact O-N 3.47Å
230S79.6Confident90.6Very high99 Ų9946 Ų4669%0.69229%0.285SS*.THydrogen-bonded Turntrans-88.8-29.5-176.668.10000114.4H228H228-S230 VanDerWaalsContact C-N 3.27Å; H228-S230 PolarHBondContact CE1-OG 3.15Å; H228-S230 PolarHBondContact ND1-OG 2.91Å; H228-S230 PolarHBondContact O-N 2.97Å; H228-S230 VanDerWaalsContact O-N 3.15Å
231T82.8Confident90.7Very high88 Ų8846.3 Ų46.354%0.5428%0.283SS..THydrogen-bonded Turntrans-106.4-13.5-175.655.10000112.1H228 A233H228-T231 WeakPolarHBondContact CB-OG1 3.23Å; H228-T231 PolarHBondContact ND1-OG1 2.9Å; H228-T231 PolarHBondContact O-N 2.55Å; T231-A233 PolarHBondContact O-N 2.85Å; T231-A233 WeakPolarHBondContact OG1-CB 3.27Å; T231-A233 PolarHBondContact OG1-N 3.1Å
232G84Confident90.8Very high29 Ų2943.5 Ų43.530%0.29927%0.267SS..  trans73.8-8.4-170.400000113.6T180 T227 H228 K234T180-G232 PolarHBondContact OG1-O 3.01Å; T227-G232 VanDerWaalsContact CG2-O 3.27Å; T227-G232 WeakPolarHBondContact CG2-O 3.41Å; H228-G232 WeakPolarHBondContact O-CA 3.27Å; H228-G232 PolarHBondContact O-N 3Å; G232-K234 PolarHBondContact O-N 3.43Å
233A88.3Confident90.8Very high6 Ų641.8 Ų41.85%0.0525%0.252CS..  trans-61.3125.7-174.500000112I176 M177 E178 T227 H228 T231 H235I176-A233 HydrophobicContact CG2-CB 4.31Å; M177-A233 CarbonylContact O-C 3.46Å; M177-A233 WeakPolarHBondContact O-CA 3.47Å; E178-A233 WeakPolarHBondContact O-CA 3.48Å; E178-A233 PolarHBondContact O-N 2.84Å; T227-A233 CarbonylContact C-O 3.52Å; T227-A233 WeakPolarHBondContact CA-O 3.11Å; H228-A233 PolarHBondContact N-O 2.83Å; T231-A233 PolarHBondContact O-N 2.85Å; T231-A233 WeakPolarHBondContact OG1-CB 3.27Å; T231-A233 PolarHBondContact OG1-N 3.1Å; A233-H235 PolarHBondContact O-CD2 3.02Å
234K92.1Very high90.7Very high22 Ų2243.3 Ų43.310%0.09626%0.257CS..EExtended strand (participates in β ladder)trans-92.2135173.3-177.6-173.4-178.1-169.20109.8I176 M177 T180 D184 F185 T225 G232I176-K234 WeakPolarHBondContact CA-O 3.11Å; M177-K234 PolarHBondContact N-O 3.47Å; M177-K234 PolarHBondContact O-N 2.91Å; T180-K234 HydrophobicContact CG2-CB 3.52Å; D184-K234 WeakPolarHBondContact OD1-CD 3.43Å; D184-K234 WeakPolarHBondContact OD1-CE 3.38Å; D184-K234 IonicContact OD1-NZ 3.23Å; D184-K234 PolarHBondContact OD1-NZ 2.79Å; D184-K234 IonicContact OD2-NZ 3.07Å; F185-K234 HydrophobicContact CD1-CD 4.06Å; F185-K234 HydrophobicContact CE1-CB 3.88Å; F185-K234 HydrophobicContact CE1-CD 3.87Å; F185-K234 HydrophobicContact CE1-CG 3.89Å; F185-K234 WeakPolarHBondContact CE1-O 3.45Å; F185-K234 PolarHBondContact O-NZ 3.45Å; T225-K234 HydrophobicContact CG2-CD 4.46Å; T225-K234 HydrophobicContact CG2-CG 4.33Å; G232-K234 PolarHBondContact O-N 3.43Å
235H94.5Very high90.6Very high13 Ų1341.2 Ų41.26%0.0625%0.248CC..EExtended strand (participates in β ladder)trans-117.5131.4179.6-65.6-102.6000109.8I157 D174 V175 T225 T226 A233 Y237I157-H235 HydrophobicContact CG2-CB 4.08Å; D174-H235 WeakPolarHBondContact OD1-CB 2.81Å; D174-H235 IonicContact OD1-CG 2.73Å; D174-H235 IonicContact OD1-ND1 3.73Å; D174-H235 PolarHBondContact OD1-ND1 3.06Å; D174-H235 IonicContact OD2-CE1 3.35Å; D174-H235 IonicContact OD2-ND1 2.69Å; D174-H235 PolarHBondContact OD2-ND1 3.26Å; V175-H235 WeakPolarHBondContact O-CA 3.16Å; T225-H235 VanDerWaalsContact CA-O 3.32Å; T225-H235 WeakPolarHBondContact CA-O 2.92Å; T226-H235 HydrophobicContact CG2-CB 3.89Å; T226-H235 PolarHBondContact N-O 3.02Å; T226-H235 PolarHBondContact O-N 3.47Å; A233-H235 PolarHBondContact O-CD2 3.02Å; H235-Y237 HydrophobicContact CB-CD1 4.21Å
236V95.7Very high90.3Very high2 Ų245.1 Ų45.11%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-118.1116166.5177.30000107.1V175 F185 V187 F224 T225 Q268V175-V236 PolarHBondContact N-O 3.02Å; V175-V236 PolarHBondContact O-N 3.36Å; F185-V236 HydrophobicContact CD2-CG2 4.44Å; F185-V236 HydrophobicContact CE2-CB 4.06Å; F185-V236 HydrophobicContact CE2-CG2 3.7Å; F185-V236 HydrophobicContact CZ-CB 4.29Å; F185-V236 HydrophobicContact CZ-CG2 3.81Å; V187-V236 HydrophobicContact CB-CG1 4Å; V187-V236 HydrophobicContact CG2-CB 3.78Å; V187-V236 HydrophobicContact CG2-CG1 3.7Å; V187-V236 HydrophobicContact CG2-CG2 4.28Å; F224-V236 WeakPolarHBondContact O-CA 3.43Å; T225-V236 HydrophobicContact CG2-CG2 4.31Å; V236-Q268 HydrophobicContact CG1-CG 3.99Å
237Y96.1Very high90.1Very high37 Ų3746.9 Ų46.915%0.14528%0.283CS..EExtended strand (participates in β ladder)trans-140151.1-169.367.3-85.2000114I157 T172 L173 F224 T226 H235 H239I157-Y237 HydrophobicContact CG2-CD1 3.49Å; I157-Y237 VanDerWaalsContact CG2-CD1 3.49Å; I157-Y237 HydrophobicContact CG2-CD2 4.3Å; I157-Y237 HydrophobicContact CG2-CE1 3.74Å; I157-Y237 HydrophobicContact CG2-CE2 4.48Å; I157-Y237 HydrophobicContact CG2-CG 3.8Å; T172-Y237 HydrophobicContact CG2-CD2 3.7Å; T172-Y237 HydrophobicContact CG2-CG 4.1Å; L173-Y237 CarbonylContact O-C 3.46Å; L173-Y237 WeakPolarHBondContact O-CA 3.25Å; L173-Y237 WeakPolarHBondContact O-CB 3.06Å; F224-Y237 HydrophobicContact CB-CD1 4.02Å; F224-Y237 HydrophobicContact CB-CD2 4.03Å; F224-Y237 HydrophobicContact CB-CE1 3.54Å; F224-Y237 HydrophobicContact CB-CE2 3.57Å; F224-Y237 HydrophobicContact CB-CG 4.25Å; F224-Y237 HydrophobicContact CD2-CD2 4.16Å; F224-Y237 AromaticContact CD2-CE2 3.76Å; F224-Y237 HydrophobicContact CD2-CE2 3.76Å; F224-Y237 HydrophobicContact CG-CD2 4.48Å; F224-Y237 AromaticContact CG-CE2 3.85Å; F224-Y237 HydrophobicContact CG-CE2 3.85Å; F224-Y237 AromaticContact CG-CZ 3.92Å; F224-Y237 PolarHBondContact N-O 2.93Å; F224-Y237 PolarHBondContact O-N 3.05Å; T226-Y237 HydrophobicContact CG2-CD1 4.43Å; T226-Y237 HydrophobicContact CG2-CE1 3.72Å; H235-Y237 HydrophobicContact CB-CD1 4.21Å; Y237-H239 AromaticContact CD2-NE2 3.94Å; Y237-H239 AromaticContact CE2-NE2 3.53Å
238V96.7Very high90Very high1 Ų144.8 Ų44.81%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-129.7134.8178.8174.90000109.3T172 L173 I205 I206 A212 V219 A223 M240T172-V238 WeakPolarHBondContact CA-O 3.37Å; L173-V238 PolarHBondContact N-O 2.99Å; L173-V238 PolarHBondContact O-N 3.09Å; I205-V238 HydrophobicContact CG2-CG1 4.25Å; I206-V238 HydrophobicContact CD1-CG2 3.72Å; I206-V238 HydrophobicContact CG1-CG2 3.96Å; A212-V238 HydrophobicContact CB-CG1 4.25Å; A212-V238 HydrophobicContact CB-CG2 4.11Å; V219-V238 HydrophobicContact CG1-CG1 3.73Å; A223-V238 HydrophobicContact CB-CG2 3.7Å; V238-M240 HydrophobicContact CG1-CG 4.26Å
239H97Very high90.2Very high31 Ų3146.7 Ų46.714%0.14428%0.28CS..EExtended strand (participates in β ladder)trans-78.9130.7174.3-62152.2000110.3H155 G156 D220 F224 Y237H155-H239 AromaticContact CD2-CG 3.95Å; H155-H239 AromaticContact CG-CD2 3.97Å; H155-H239 AromaticContact CG-CG 3.79Å; G156-H239 PolarHBondContact N-NE2 2.61Å; D220-H239 HydrophobicContact CB-CB 4.08Å; D220-H239 PolarHBondContact N-O 2.89Å; F224-H239 AromaticContact CD2-CE1 3.99Å; F224-H239 AromaticContact CE2-CE1 3.5Å; F224-H239 VanDerWaalsContact CE2-CE1 3.5Å; F224-H239 WeakPolarHBondContact CE2-CE1 2.98Å; F224-H239 AromaticContact CE2-ND1 3.52Å; Y237-H239 AromaticContact CD2-NE2 3.94Å; Y237-H239 AromaticContact CE2-NE2 3.53Å
240M96.2Very high90.9Very high6 Ų644.1 Ų44.13%0.0325%0.251CS..EExtended strand (participates in β ladder)trans-133.4172179.8-54.3-175.2-52.100110.4H155 V171 L173 I205 A218 V219 V238H155-M240 PolarHBondContact NE2-O 3.41Å; V171-M240 HydrophobicContact CG2-CB 3.89Å; V171-M240 HydrophobicContact CG2-CE 4.21Å; V171-M240 PolarHBondContact N-O 3.25Å; V171-M240 CarbonylContact O-C 3.55Å; V171-M240 PolarHBondContact O-N 3.12Å; L173-M240 HydrophobicContact CB-CE 3.65Å; L173-M240 HydrophobicContact CB-SD 4.09Å; I205-M240 HydrophobicContact CD1-SD 3.95Å; I205-M240 HydrophobicContact CG2-SD 4.01Å; A218-M240 CarbonylContact O-C 3.47Å; A218-M240 WeakPolarHBondContact O-CA 3.48Å; A218-M240 VanDerWaalsContact O-CB 3.3Å; A218-M240 WeakPolarHBondContact O-CB 3.46Å; V219-M240 HydrophobicContact CG2-CG 4.37Å; V238-M240 HydrophobicContact CG1-CG 4.26Å
241Y95.9Very high91.4Very high55 Ų5539.5 Ų39.522%0.21622%0.219CC..EExtended strand (participates in β ladder)trans-124.5141.3171.6-62.6-92000108.6H155 Q169 R170 R217 A218 D220 F243H155-Y241 AromaticContact CE1-CZ 3.61Å; Q169-Y241 CarbonylContact O-C 3.47Å; Q169-Y241 VanDerWaalsContact O-CA 3.23Å; Q169-Y241 WeakPolarHBondContact O-CA 3.46Å; R170-Y241 HydrophobicContact CG-CD1 3.96Å; R170-Y241 HydrophobicContact CG-CE1 3.61Å; R217-Y241 WeakPolarHBondContact O-CB 3.34Å; A218-Y241 PolarHBondContact O-N 2.84Å; D220-Y241 WeakPolarHBondContact OD2-CE2 3.49Å; D220-Y241 PolarHBondContact OD2-OH 2.9Å; Y241-F243 VanDerWaalsContact O-CD1 3.29Å; Y241-F243 WeakPolarHBondContact O-CD1 3.03Å; Y241-F243 PolarHBondContact O-N 3.49Å; Y241-F243 VanDerWaalsContact O-N 3.15Å
242G92.6Very high91.9Very high7 Ų738.7 Ų38.77%0.07221%0.206CC..  trans-53.7121.7178.800000111V167 G168 Q169V167-G242 CarbonylContact C-O 3.51Å; V167-G242 WeakPolarHBondContact CA-O 3.34Å; G168-G242 PolarHBondContact N-O 2.74Å; Q169-G242 PolarHBondContact O-N 3.28Å
243F93.2Very high92.4Very high33 Ų3337.4 Ų37.415%0.14519%0.193CC..  trans-136.6158175.767-96.2000108.5A192 I203 A218 Y241 F245 V251 V305A192-F243 HydrophobicContact CB-CE2 4.04Å; A192-F243 HydrophobicContact CB-CZ 3.62Å; I203-F243 HydrophobicContact CD1-CD2 4.49Å; I203-F243 HydrophobicContact CD1-CE2 4.1Å; A218-F243 HydrophobicContact CB-CD1 3.84Å; A218-F243 HydrophobicContact CB-CE1 4.39Å; A218-F243 HydrophobicContact CB-CG 4.37Å; Y241-F243 VanDerWaalsContact O-CD1 3.29Å; Y241-F243 WeakPolarHBondContact O-CD1 3.03Å; Y241-F243 PolarHBondContact O-N 3.49Å; Y241-F243 VanDerWaalsContact O-N 3.15Å; F243-F245 HydrophobicContact CE2-CE2 4.15Å; F243-F245 HydrophobicContact CE2-CZ 4.24Å; F243-V251 HydrophobicContact CE2-CG1 3.96Å; F243-V251 HydrophobicContact CE2-CG2 4.35Å; F243-V251 HydrophobicContact CZ-CG1 4.07Å; F243-V251 VanDerWaalsContact O-CG2 3.3Å; F243-V251 WeakPolarHBondContact O-CG2 3.43Å; F243-V305 WeakPolarHBondContact O-CG2 3.46Å
244Q90.1Very high92.6Very high46 Ų4638.4 Ų38.422%0.21520%0.196CC..  trans-135.8157.2174.761.2169.47700110.7V167 V305V167-Q244 HydrophobicContact CG2-CG 4.36Å; Q244-V305 HydrophobicContact CB-CB 3.97Å; Q244-V305 HydrophobicContact CB-CG1 4.09Å; Q244-V305 HydrophobicContact CB-CG2 4.5Å; Q244-V305 HydrophobicContact CG-CG1 4.46Å
245F90.8Very high92.8Very high22 Ų2237.4 Ų37.410%0.09619%0.192CC..  trans-78.3158.6169.7-63.5-84.1000110.1A192 D194 T201 I203 F243 T247 V251A192-F245 HydrophobicContact CB-CZ 4.4Å; D194-F245 HydrophobicContact CB-CB 3.81Å; D194-F245 HydrophobicContact CB-CD2 3.73Å; D194-F245 HydrophobicContact CB-CE2 4.47Å; D194-F245 HydrophobicContact CB-CG 3.76Å; T201-F245 WeakPolarHBondContact O-CE1 3.47Å; T201-F245 WeakPolarHBondContact O-CZ 3.27Å; I203-F245 HydrophobicContact CD1-CE1 3.62Å; I203-F245 HydrophobicContact CD1-CZ 3.81Å; I203-F245 HydrophobicContact CG1-CE1 3.93Å; I203-F245 HydrophobicContact CG1-CZ 4.1Å; F243-F245 HydrophobicContact CE2-CE2 4.15Å; F243-F245 HydrophobicContact CE2-CZ 4.24Å; F245-T247 PolarHBondContact O-N 3.39Å; F245-V251 HydrophobicContact CD2-CG2 4.11Å; F245-V251 HydrophobicContact CE2-CG1 4.22Å; F245-V251 HydrophobicContact CE2-CG2 4.22Å
246T88.3Confident92.6Very high150 Ų15038.8 Ų38.892%0.9220%0.198SC*.SBendtrans-72-19.3175.251.40000112.3
247T86.7Confident92.3Very high90 Ų9038.7 Ų38.755%0.55220%0.198SC*.SBendtrans-90.8-21.6-178.148.70000113.5D194 F245D194-T247 WeakPolarHBondContact CB-OG1 3.15Å; D194-T247 WeakPolarHBondContact OD2-CB 3.32Å; D194-T247 PolarHBondContact OD2-OG1 3.49Å; F245-T247 PolarHBondContact O-N 3.39Å
248S87.4Confident91.8Very high31 Ų3137.7 Ų37.722%0.21719%0.194CC..  trans-153.6143.7-172.7-174.30000112.4L250S248-L250 VanDerWaalsContact C-N 3.31Å; S248-L250 PolarHBondContact OG-N 3.38Å; S248-L250 PolarHBondContact OG-O 2.98Å
249Q88.8Confident91.1Very high106 Ų10637.7 Ų37.750%0.49519%0.194SC..SBendtrans-83.5-9.4168.4-65.4175.910.600112.5V305Q249-V305 PolarHBondContact O-N 3.12Å
250L91.9Very high90.4Very high52 Ų5236.3 Ų36.327%0.27219%0.188SC..EExtended strand (participates in β ladder)trans-97.6130.7176-62.7177000109.6S248 Y252 I303 R304S248-L250 VanDerWaalsContact C-N 3.31Å; S248-L250 PolarHBondContact OG-N 3.38Å; S248-L250 PolarHBondContact OG-O 2.98Å; L250-Y252 HydrophobicContact CB-CE2 3.83Å; L250-I303 WeakPolarHBondContact CA-O 3.02Å; L250-R304 HydrophobicContact CD2-CB 3.86Å; L250-R304 HydrophobicContact CD2-CG 4.27Å
251V91.4Very high89.5Confident2 Ų236.4 Ų36.41%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-111.8119.5172.8177.30000108.5A192 F243 F245 V253 V302 I303 V305A192-V251 HydrophobicContact CB-CG1 3.85Å; F243-V251 HydrophobicContact CE2-CG1 3.96Å; F243-V251 HydrophobicContact CE2-CG2 4.35Å; F243-V251 HydrophobicContact CZ-CG1 4.07Å; F243-V251 VanDerWaalsContact O-CG2 3.3Å; F243-V251 WeakPolarHBondContact O-CG2 3.43Å; F245-V251 HydrophobicContact CD2-CG2 4.11Å; F245-V251 HydrophobicContact CE2-CG1 4.22Å; F245-V251 HydrophobicContact CE2-CG2 4.22Å; V251-V253 HydrophobicContact CG1-CG2 4.18Å; V251-V302 WeakPolarHBondContact O-CA 3.39Å; V251-I303 HydrophobicContact CB-CG2 3.9Å; V251-I303 PolarHBondContact N-O 2.67Å; V251-I303 PolarHBondContact O-N 3.17Å; V251-V305 HydrophobicContact CG2-CG2 4.25Å
252Y92.5Very high88.7Confident72 Ų7235.9 Ų35.928%0.28219%0.188SC..EExtended strand (participates in β ladder)trans-96.7117.9175.5-63.9-100.5000107.7A192 H193 L250 V302A192-Y252 CarbonylContact C-O 3.52Å; A192-Y252 WeakPolarHBondContact CA-O 3.31Å; H193-Y252 PolarHBondContact CD2-O 3.39Å; H193-Y252 PolarHBondContact N-O 3.01Å; H193-Y252 WeakPolarHBondContact NE2-CB 3.3Å; H193-Y252 PolarHBondContact O-N 2.98Å; L250-Y252 HydrophobicContact CB-CE2 3.83Å; Y252-V302 HydrophobicContact CD1-CB 4.36Å; Y252-V302 HydrophobicContact CD1-CG1 4.07Å; Y252-V302 HydrophobicContact CD1-CG2 3.43Å; Y252-V302 VanDerWaalsContact CD1-CG2 3.43Å; Y252-V302 HydrophobicContact CE1-CB 4.44Å; Y252-V302 HydrophobicContact CE1-CG1 3.88Å; Y252-V302 HydrophobicContact CE1-CG2 3.64Å; Y252-V302 HydrophobicContact CG-CG1 4.45Å; Y252-V302 HydrophobicContact CG-CG2 4.31Å
253V94.1Very high88.2Confident2 Ų241.6 Ų41.61%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-103.8121.5175.4-179.50000107.9M149 L173 Y191 A192 I205 V251 T300 A301M149-V253 WeakPolarHBondContact CE-O 3.4Å; L173-V253 HydrophobicContact CD1-CG1 3.96Å; L173-V253 HydrophobicContact CD2-CG1 3.72Å; Y191-V253 WeakPolarHBondContact O-CA 3.23Å; A192-V253 HydrophobicContact CB-CG2 4.33Å; I205-V253 HydrophobicContact CD1-CG1 3.84Å; I205-V253 HydrophobicContact CD1-CG2 4.28Å; V251-V253 HydrophobicContact CG1-CG2 4.18Å; V253-T300 CarbonylContact O-C 3.5Å; V253-T300 VanDerWaalsContact O-CA 3.29Å; V253-T300 WeakPolarHBondContact O-CA 3.24Å; V253-A301 PolarHBondContact N-O 3.37Å; V253-A301 PolarHBondContact O-N 2.81Å
254Q93.4Very high87.7Confident27 Ų2740.8 Ų40.813%0.12622%0.215CC..EExtended strand (participates in β ladder)trans-119139.8179-58.2-163.7-35.900109.6C190 Y191 H193 L299 T300C190-Q254 CarbonylContact C-O 3.52Å; C190-Q254 WeakPolarHBondContact CA-O 3.45Å; Y191-Q254 HydrophobicContact CE1-CB 4.11Å; Y191-Q254 HydrophobicContact CE2-CB 4.12Å; Y191-Q254 HydrophobicContact CE2-CG 4.42Å; Y191-Q254 PolarHBondContact N-O 3.09Å; Y191-Q254 PolarHBondContact O-N 2.86Å; Y191-Q254 PolarHBondContact OH-OE1 2.99Å; H193-Q254 VanDerWaalsContact NE2-CD 3.34Å; Q254-L299 CarbonylContact C-O 3.46Å; Q254-L299 VanDerWaalsContact CA-O 3.29Å; Q254-L299 WeakPolarHBondContact CA-O 3.5Å; Q254-T300 HydrophobicContact CG-CG2 4.03Å; Q254-T300 PolarHBondContact NE2-OG1 2.78Å
255C94.7Very high87.2Confident0 Ų045.3 Ų45.30%024%0.241CC..EExtended strand (participates in β ladder)trans-140.1142.3-178.2-74.10000110.6M149 V187 C190 N298 L299M149-C255 HydrophobicContact SD-CB 3.9Å; V187-C255 HydrophobicContact CG1-CB 4.06Å; C190-C255 HydrophobicContact CB-CB 4.12Å; C190-C255 WeakPolarHBondContact CB-SG 3.49Å; C190-C255 WeakPolarHBondContact SG-CB 3.5Å; C190-C255 CovalentContact SG-SG 2.03Å; C190-C255 PolarHBondContact SG-SG 3.25Å; C255-N298 WeakPolarHBondContact O-CA 3.33Å; C255-L299 PolarHBondContact N-O 2.02Å; C255-L299 PolarHBondContact O-N 2.73Å
256Q91.9Very high86.7Confident42 Ų4248 Ų4820%0.19625%0.25CS..EExtended strand (participates in β ladder)trans-90.7129.5167.3-60.4-61.9-40.200109.6H188 D189 N296 Y297H188-Q256 VanDerWaalsContact CE1-CB 3.49Å; H188-Q256 WeakPolarHBondContact CE1-CB 3.33Å; H188-Q256 PolarHBondContact N-O 2.88Å; H188-Q256 CarbonylContact O-C 3.35Å; H188-Q256 WeakPolarHBondContact O-CA 3.4Å; H188-Q256 WeakPolarHBondContact O-CB 3.34Å; H188-Q256 PolarHBondContact O-N 2.83Å; D189-Q256 HydrophobicContact CB-CB 4.29Å; D189-Q256 HydrophobicContact CB-CG 4.02Å; Q256-N296 HydrophobicContact CB-CB 4.46Å; Q256-Y297 CarbonylContact C-O 3.55Å; Q256-Y297 WeakPolarHBondContact CA-O 3.2Å
257V89.5Confident86.3Confident0 Ų044.3 Ų44.30%023%0.228CC..EExtended strand (participates in β ladder)trans-120.5126.8179.4-178.80000108.5L147 V175 F185 V187 Y297 L299L147-V257 HydrophobicContact CD1-CG1 3.88Å; L147-V257 HydrophobicContact CD2-CG1 4.11Å; V175-V257 HydrophobicContact CG1-CG2 3.98Å; F185-V257 HydrophobicContact CB-CG1 4.28Å; F185-V257 HydrophobicContact CD2-CG1 3.73Å; F185-V257 HydrophobicContact CG-CG1 4.37Å; V187-V257 HydrophobicContact CG1-CG2 4.38Å; V187-V257 HydrophobicContact CG2-CG2 4.23Å; V257-Y297 PolarHBondContact N-O 3.36Å; V257-Y297 PolarHBondContact O-N 3.15Å; V257-L299 HydrophobicContact CB-CD1 4.41Å; V257-L299 HydrophobicContact CG2-CD1 3.54Å; V257-L299 HydrophobicContact CG2-CG 3.86Å
258R84.8Confident86.2Confident17 Ų1741.2 Ų41.26%0.06421%0.208CC..EExtended strand (participates in β ladder)trans-113.7113.5175.5-176.9167.8174.7162.64.5109.3Q78 F185 Y186 E294Q78-R258 VanDerWaalsContact NE2-NH2 3.12Å; F185-R258 WeakPolarHBondContact CA-O 3.3Å; Y186-R258 HydrophobicContact CD1-CB 4.13Å; Y186-R258 HydrophobicContact CE1-CB 3.58Å; Y186-R258 HydrophobicContact CE1-CG 3.84Å; Y186-R258 PolarHBondContact N-O 2.04Å; Y186-R258 PolarHBondContact O-N 2.74Å; Y186-R258 WeakPolarHBondContact OH-CD 3.05Å; R258-E294 VanDerWaalsContact CZ-CD 3.43Å; R258-E294 IonicContact CZ-OE1 3.64Å; R258-E294 IonicContact CZ-OE2 3.59Å; R258-E294 IonicContact NH1-OE1 3.01Å; R258-E294 PolarHBondContact NH1-OE1 2.89Å; R258-E294 VanDerWaalsContact NH1-OE1 3.15Å; R258-E294 IonicContact NH1-OE2 2.74Å; R258-E294 PolarHBondContact NH1-OE2 3.42Å; R258-E294 IonicContact NH2-OE1 3.71Å; R258-E294 PolarHBondContact NH2-OE1 2.89Å; R258-E294 IonicContact NH2-OE2 2.98Å
259P82.4Confident85.9Confident0 Ų041 Ų410%021%0.206CC..EExtended strand (participates in β ladder)trans-84.7158.9173.838.7-37.6000110.6M111 I114 M177 D184 F185 Y297M111-P259 HydrophobicContact CE-CB 3.17Å; M111-P259 HydrophobicContact CE-CG 3.34Å; I114-P259 HydrophobicContact CD1-CB 4.39Å; I114-P259 HydrophobicContact CD1-CG 3.77Å; M177-P259 HydrophobicContact CE-CB 4.01Å; D184-P259 CarbonylContact O-C 3.6Å; D184-P259 WeakPolarHBondContact O-CA 3.46Å; F185-P259 HydrophobicContact CB-CB 4.37Å; P259-Y297 HydrophobicContact CG-CD2 4.04Å; P259-Y297 HydrophobicContact CG-CE2 3.86Å
260C82.6Confident84.8Confident3 Ų341.8 Ų41.82%0.0221%0.21CC..EExtended strand (participates in β ladder)trans-133.2145.2178.7-49.20000109.4Q78 Y183 D184 C264Q78-C260 CarbonylContact O-C 3.46Å; Q78-C260 VanDerWaalsContact O-CA 3.26Å; Q78-C260 WeakPolarHBondContact O-CA 3.25Å; Y183-C260 WeakPolarHBondContact CA-O 3.32Å; D184-C260 HydrophobicContact CB-CB 4.44Å; D184-C260 PolarHBondContact N-O 2.56Å; D184-C260 PolarHBondContact O-N 2.91Å; C260-C264 HydrophobicContact CB-CB 4.02Å; C260-C264 WeakPolarHBondContact CB-SG 3.46Å; C260-C264 VanDerWaalsContact SG-CA 3.51Å; C260-C264 WeakPolarHBondContact SG-CB 3.5Å; C260-C264 CovalentContact SG-SG 2.04Å; C260-C264 PolarHBondContact SG-SG 3.04Å
261L77Confident83Confident7 Ų744 Ų444%0.03723%0.225CC..EExtended strand (participates in β ladder)trans-77.1128.8160.6-165.865.5000107.7H73 Q78 G81 Y83 I182 Y183H73-L261 WeakPolarHBondContact NE2-CD2 3.46Å; Q78-L261 PolarHBondContact O-N 2.79Å; G81-L261 VanDerWaalsContact CA-CD2 3.5Å; Y83-L261 HydrophobicContact CE2-CD1 4.44Å; I182-L261 HydrophobicContact CD1-CD1 4.14Å; I182-L261 HydrophobicContact CG1-CD1 4.45Å; Y183-L261 HydrophobicContact CD1-CD1 4.17Å; Y183-L261 HydrophobicContact CE1-CD1 3.9Å
262Q79.3Confident81Confident45 Ų4549.2 Ų49.221%0.2126%0.257CS..SBendtrans57.5-171.1-167.2-61.6-67.2-42.800112.4Y83 I182 D184 C264Y83-Q262 PolarHBondContact OH-NE2 3.03Å; I182-Q262 WeakPolarHBondContact O-CA 3.45Å; I182-Q262 PolarHBondContact O-N 3.05Å; D184-Q262 WeakPolarHBondContact CB-O 3.36Å; Q262-C264 PolarHBondContact O-N 3.41Å
263N81.4Confident78.8Confident126 Ų12651.3 Ų51.367%0.67428%0.277SS*.SBendtrans-57.4129.7-179.7-73.798.4000112.1D184 N265D184-N263 WeakPolarHBondContact OD2-CA 3.5Å; N263-N265 PolarHBondContact O-N 3.32Å
264C83.8Confident76.3Confident16 Ų1657.5 Ų57.511%0.10831%0.31CS..  trans-62.3128.3173-68.80000109.7D184 Y186 C260 Q262 R266D184-C264 PolarHBondContact OD2-N 3.22Å; Y186-C264 HydrophobicContact CD1-CB 4.44Å; C260-C264 HydrophobicContact CB-CB 4.02Å; C260-C264 WeakPolarHBondContact CB-SG 3.46Å; C260-C264 VanDerWaalsContact SG-CA 3.51Å; C260-C264 WeakPolarHBondContact SG-CB 3.5Å; C260-C264 CovalentContact SG-SG 2.04Å; C260-C264 PolarHBondContact SG-SG 3.04Å; Q262-C264 PolarHBondContact O-N 3.41Å; C264-R266 PolarHBondContact O-N 3.28Å
265N78.6Confident73.8Confident142 Ų14263 Ų6376%0.75934%0.341SS*.SBendtrans-57-24.1175.7-73.2-39.7000113N263N263-N265 PolarHBondContact O-N 3.32Å
266R79.6Confident71.2Confident79 Ų7969 Ų6930%0.29838%0.378SS..SBendtrans-104.3112.6175.5-175.3-174.7-173.7152.221.8109.6Q208 D209 C264Q208-R266 PolarHBondContact O-NH1 2.46Å; D209-R266 VanDerWaalsContact CB-NH2 3.3Å; D209-R266 PolarHBondContact O-NH2 3.48Å; D209-R266 IonicContact OD1-CZ 3.79Å; D209-R266 IonicContact OD1-NH1 2.83Å; D209-R266 IonicContact OD1-NH2 3.61Å; D209-R266 PolarHBondContact OD1-NH2 2.91Å; C264-R266 PolarHBondContact O-N 3.28Å
267P80.4Confident68.9Low71 Ų7172.2 Ų72.246%0.46140%0.4SS..  trans-72.9160170.732.4-34.2000110.9C269 Q270P267-C269 PolarHBondContact O-N 2.8Å; P267-Q270 HydrophobicContact CG-CG 3.73Å
268Q84.6Confident66.6Low25 Ų2579.9 Ų79.912%0.11744%0.44CS..SBendtrans-58.2112.7173.3-166.269.736.400109.6V187 G210 A223 T225 V236V187-Q268 PolarHBondContact O-NE2 2.86Å; G210-Q268 PolarHBondContact O-NE2 3.49Å; A223-Q268 HydrophobicContact CB-CG 4.32Å; T225-Q268 WeakPolarHBondContact OG1-CB 3.35Å; V236-Q268 HydrophobicContact CG1-CG 3.99Å
269C80.4Confident64.5Low28 Ų2886.5 Ų86.519%0.18947%0.471CS..  trans54.7105-177.4-167.20000115.5C211 P267 V271C211-C269 HydrophobicContact CB-CB 3.99Å; C211-C269 WeakPolarHBondContact CB-SG 3.42Å; C211-C269 VanDerWaalsContact SG-CA 3.52Å; C211-C269 WeakPolarHBondContact SG-CB 3.19Å; C211-C269 CovalentContact SG-SG 2.05Å; C211-C269 PolarHBondContact SG-SG 2.93Å; P267-C269 PolarHBondContact O-N 2.8Å; C269-V271 PolarHBondContact O-N 3.37Å
270Q65.7Low62.8Low122 Ų12293.6 Ų93.657%0.5751%0.509SS*.  trans-86.687169.3-72.5-174.3-11.400110.7P267 T272P267-Q270 HydrophobicContact CG-CG 3.73Å; Q270-T272 PolarHBondContact O-N 3.18Å
271V55.3Low60.8Low98 Ų98104.7 Ų104.759%0.59455%0.55SS**  trans-72.7101.5169.1-174.10000108.1C269 V273C269-V271 PolarHBondContact O-N 3.37Å; V271-V273 HydrophobicContact CG1-CG2 4.37Å; V271-V273 PolarHBondContact O-N 2.94Å
272T48.4Very low59.1Low112 Ų112112.8 Ų112.869%0.68758%0.58SS**  trans-68.397.8171.2-57.40000108.1Q270 N274Q270-T272 PolarHBondContact O-N 3.18Å; T272-N274 PolarHBondContact O-N 2.87Å
273V45.9Very low57.3Low116 Ų116119.3 Ų119.370%0.70361%0.608SS**  trans-74.372173.3-169.80000108.7V271V271-V273 HydrophobicContact CG1-CG2 4.37Å; V271-V273 PolarHBondContact O-N 2.94Å
274N42.5Very low55.4Low131 Ų131123.5 Ų123.570%0.70161%0.614SS**  trans-85.2116.1157-83.7-7.3000106.8T272 T276T272-N274 PolarHBondContact O-N 2.87Å; N274-T276 PolarHBondContact O-N 2.87Å
275N41.1Very low53.4Low144 Ų144128.3 Ų128.377%0.7764%0.643SS**SBendtrans-39.6136174.4-80.2-23000110.9
276T40.7Very low51.3Low126 Ų126129.9 Ų129.977%0.77365%0.646SS**SBendtrans71.2114.3179.5580000116N274N274-T276 PolarHBondContact O-N 2.87Å
277T43Very low49.4Very low109 Ų109130.9 Ų130.967%0.66967%0.671SS**  trans72.5109.5171.2680000115.9H279T277-H279 PolarHBondContact O-N 2.83Å
278L41.8Very low47.2Very low161 Ų161134.8 Ų134.884%0.84369%0.688SS**  trans-60.180.1167.3-76.5155.6000109.7
279H39.4Very low44.7Very low155 Ų155138.4 Ų138.472%0.71872%0.716SS**  trans-112.7103.6166.4-75.6-54.8000107.9T277 R281T277-H279 PolarHBondContact O-N 2.83Å; H279-R281 VanDerWaalsContact C-N 3.34Å; H279-R281 PolarHBondContact O-N 2.9Å
280L46.7Very low42.1Very low149 Ų149149 Ų14978%0.7875%0.752SS**  trans-56.995.4171.4-71.5103.2000108.8R282L280-R282 PolarHBondContact O-N 3.26Å
281R42Very low40.5Very low237 Ų237152.1 Ų152.189%0.89476%0.764SS**  trans-85.496.5179.7-167175.1-177.4-1780.9108.9H279 K283H279-R281 VanDerWaalsContact C-N 3.34Å; H279-R281 PolarHBondContact O-N 2.9Å; R281-K283 PolarHBondContact O-N 2.73Å
282R41.2Very low39.6Very low177 Ų177153 Ų15367%0.66877%0.772SS**  trans-55.899.5169.9-169.6176.1-172.5173.35.7109.9L280 R284L280-R282 PolarHBondContact O-N 3.26Å; R282-R284 PolarHBondContact O-N 2.87Å
283K41.4Very low39.1Very low182 Ų182153.1 Ų153.179%0.79177%0.768SS**  trans-81.3103.9172.1-162.6177.5-177.3-175.10107.6R281 T285R281-K283 PolarHBondContact O-N 2.73Å; K283-T285 VanDerWaalsContact C-N 3.31Å; K283-T285 PolarHBondContact O-N 3.49Å
284R40.8Very low39.4Very low213 Ų213152.7 Ų152.780%0.80476%0.758SS**  trans-69.590.9167.5-80-178.5177.2156.7-1108.2R282 H286R282-R284 PolarHBondContact O-N 2.87Å; R284-H286 PolarHBondContact O-N 3.07Å
285T40.9Very low40.3Very low117 Ų117150.1 Ų150.172%0.71874%0.742SS**  trans-78.2112.7164.3-24.50000106.5K283 A287K283-T285 VanDerWaalsContact C-N 3.31Å; K283-T285 PolarHBondContact O-N 3.49Å; T285-A287 PolarHBondContact O-N 3.23Å
286H35.5Very low41.8Very low176 Ų176146.3 Ų146.382%0.81572%0.721SS**  trans-60.2104.1173.5-105.7-93.2000108.7R284 N288R284-H286 PolarHBondContact O-N 3.07Å; H286-N288 PolarHBondContact O-N 3.08Å; H286-N288 VanDerWaalsContact O-N 3.13Å
287A40.4Very low43.7Very low99 Ų99141.4 Ų141.482%0.81869%0.689SS**  trans-77.492.6171.400000108.8T285T285-A287 PolarHBondContact O-N 3.23Å
288N32.9Very low45.7Very low153 Ų153139.7 Ų139.782%0.81868%0.676SS**  trans-98.195.4159.2-996.1000107.6H286H286-N288 PolarHBondContact O-N 3.08Å; H286-N288 VanDerWaalsContact O-N 3.13Å
289S33.1Very low47.9Very low102 Ų102132.5 Ų132.571%0.71364%0.638SS**  trans179.9115144.832.10000108.3F291S289-F291 PolarHBondContact O-N 3.04Å
290W24.5Very low50.2Low249 Ų249127.9 Ų127.994%0.94362%0.621SS**  trans-68.8112.4168-80.6-32.1000109.5
291F32.2Very low52.3Low189 Ų189121.4 Ų121.483%0.82959%0.589SS**  trans-139.3103.1147.1-76.6-76.1000106.7S289 L293S289-F291 PolarHBondContact O-N 3.04Å; F291-L293 PolarHBondContact O-N 3.08Å
292P36.5Very low54.5Low117 Ų117113.3 Ų113.376%0.7657%0.565SS**  trans-90.1106-177.332.6-26000109.7
293L39.4Very low56.9Low113 Ų113105.3 Ų105.359%0.59254%0.536SS*.  trans-177.770.7134.5-126.676.6000106.4F291 E295F291-L293 PolarHBondContact O-N 3.08Å; L293-E295 VanDerWaalsContact C-N 3.31Å; L293-E295 HydrophobicContact CB-CG 4.5Å; L293-E295 HydrophobicContact CD2-CG 4.02Å; L293-E295 WeakPolarHBondContact CD2-OE1 3.3Å; L293-E295 HydrophobicContact CG-CG 3.95Å; L293-E295 PolarHBondContact O-N 3.38Å
294E50.6Low59.3Low107 Ų107103 Ų10350%0.552%0.522SS..  trans-84.986.2164.6-67.3-176.2149.400105.8R258 N296R258-E294 VanDerWaalsContact CZ-CD 3.43Å; R258-E294 IonicContact CZ-OE1 3.64Å; R258-E294 IonicContact CZ-OE2 3.59Å; R258-E294 IonicContact NH1-OE1 3.01Å; R258-E294 PolarHBondContact NH1-OE1 2.89Å; R258-E294 VanDerWaalsContact NH1-OE1 3.15Å; R258-E294 IonicContact NH1-OE2 2.74Å; R258-E294 PolarHBondContact NH1-OE2 3.42Å; R258-E294 IonicContact NH2-OE1 3.71Å; R258-E294 PolarHBondContact NH2-OE1 2.89Å; R258-E294 IonicContact NH2-OE2 2.98Å; E294-N296 PolarHBondContact O-N 2.77Å
295E61.6Low61.7Low78 Ų7892.9 Ų92.936%0.36448%0.484SS..  trans-71.8101.5-179.4-63-155.6161.500109.5L293L293-E295 VanDerWaalsContact C-N 3.31Å; L293-E295 HydrophobicContact CB-CG 4.5Å; L293-E295 HydrophobicContact CD2-CG 4.02Å; L293-E295 WeakPolarHBondContact CD2-OE1 3.3Å; L293-E295 HydrophobicContact CG-CG 3.95Å; L293-E295 PolarHBondContact O-N 3.38Å
296N74Confident63.9Low63 Ų6391.7 Ų91.734%0.33747%0.47SS..  trans-82.6134.1168.2-61.3-42.4000108.6Q256 E294Q256-N296 HydrophobicContact CB-CB 4.46Å; E294-N296 PolarHBondContact O-N 2.77Å
297Y79.9Confident65.8Low23 Ų2389.3 Ų89.39%0.0946%0.46CS..EExtended strand (participates in β ladder)trans-86.5128.1177.6-71.9-85.3000110.6M111 I114 L116 L147 Q256 V257 P259M111-Y297 PolarHBondContact O-OH 3.18Å; I114-Y297 HydrophobicContact CB-CD1 4.41Å; I114-Y297 HydrophobicContact CB-CE1 3.68Å; I114-Y297 HydrophobicContact CB-CE2 4.46Å; I114-Y297 HydrophobicContact CD1-CD2 3.85Å; I114-Y297 HydrophobicContact CD1-CE1 4.02Å; I114-Y297 HydrophobicContact CD1-CE2 3.19Å; I114-Y297 HydrophobicContact CD1-CG 4.49Å; I114-Y297 HydrophobicContact CG1-CE1 4.34Å; I114-Y297 HydrophobicContact CG1-CE2 4.26Å; I114-Y297 HydrophobicContact CG2-CD1 4.44Å; I114-Y297 HydrophobicContact CG2-CE1 4.17Å; L116-Y297 HydrophobicContact CD1-CD1 4.36Å; L116-Y297 HydrophobicContact CD2-CD1 4.11Å; L116-Y297 HydrophobicContact CG-CD1 4.46Å; L147-Y297 HydrophobicContact CD1-CD2 4.44Å; L147-Y297 HydrophobicContact CD1-CG 4.48Å; Q256-Y297 CarbonylContact C-O 3.55Å; Q256-Y297 WeakPolarHBondContact CA-O 3.2Å; V257-Y297 PolarHBondContact N-O 3.36Å; V257-Y297 PolarHBondContact O-N 3.15Å; P259-Y297 HydrophobicContact CG-CD2 4.04Å; P259-Y297 HydrophobicContact CG-CE2 3.86Å
298N85.3Confident67.1Low73 Ų7391.7 Ų91.739%0.3945%0.454SS..EExtended strand (participates in β ladder)trans-91.9106.5173.1-171.20.7000110.1C255C255-N298 WeakPolarHBondContact O-CA 3.33Å
299L87.4Confident68.5Low11 Ų1193.3 Ų93.36%0.05846%0.457CS..EExtended strand (participates in β ladder)trans-92.5138.9172.3-57.9-173.6000109.6L116 M149 V175 Q254 C255 V257L116-L299 HydrophobicContact CD2-CD2 3.45Å; L116-L299 VanDerWaalsContact CD2-CD2 3.45Å; M149-L299 HydrophobicContact CB-CB 3.88Å; M149-L299 HydrophobicContact CB-CD1 3.82Å; M149-L299 HydrophobicContact CB-CG 4.47Å; M149-L299 VanDerWaalsContact CE-C 3.44Å; M149-L299 HydrophobicContact CE-CB 3.94Å; M149-L299 VanDerWaalsContact CE-O 3.3Å; M149-L299 WeakPolarHBondContact CE-O 3.45Å; M149-L299 HydrophobicContact SD-CB 3.92Å; V175-L299 HydrophobicContact CG1-CD1 3.78Å; Q254-L299 CarbonylContact C-O 3.46Å; Q254-L299 VanDerWaalsContact CA-O 3.29Å; Q254-L299 WeakPolarHBondContact CA-O 3.5Å; C255-L299 PolarHBondContact N-O 2.02Å; C255-L299 PolarHBondContact O-N 2.73Å; V257-L299 HydrophobicContact CB-CD1 4.41Å; V257-L299 HydrophobicContact CG2-CD1 3.54Å; V257-L299 HydrophobicContact CG2-CG 3.86Å
300T87.9Confident69.7Low57 Ų5796 Ų9635%0.3546%0.462SS..EExtended strand (participates in β ladder)trans-128.8132.8175.5-60.60000110.7M149 V253 Q254 V302M149-T300 VanDerWaalsContact CE-CA 3.43Å; V253-T300 CarbonylContact O-C 3.5Å; V253-T300 VanDerWaalsContact O-CA 3.29Å; V253-T300 WeakPolarHBondContact O-CA 3.24Å; Q254-T300 HydrophobicContact CG-CG2 4.03Å; Q254-T300 PolarHBondContact NE2-OG1 2.78Å; T300-V302 HydrophobicContact CG2-CG2 4.32Å
301A90.2Very high71.2Confident13 Ų1393 Ų9311%0.10746%0.459CS..EExtended strand (participates in β ladder)trans-123143.4171.100000108.5M149 I151 V253M149-A301 HydrophobicContact CE-CB 3.61Å; M149-A301 HydrophobicContact CG-CB 4.31Å; I151-A301 HydrophobicContact CD1-CB 4.2Å; I151-A301 HydrophobicContact CG1-CB 4.38Å; V253-A301 PolarHBondContact N-O 3.37Å; V253-A301 PolarHBondContact O-N 2.81Å
302V89.5Confident71.9Confident67 Ų6789 Ų8941%0.40645%0.454SS..EExtended strand (participates in β ladder)trans-124133.1-178.9-172.10000108.2V251 Y252 T300V251-V302 WeakPolarHBondContact O-CA 3.39Å; Y252-V302 HydrophobicContact CD1-CB 4.36Å; Y252-V302 HydrophobicContact CD1-CG1 4.07Å; Y252-V302 HydrophobicContact CD1-CG2 3.43Å; Y252-V302 VanDerWaalsContact CD1-CG2 3.43Å; Y252-V302 HydrophobicContact CE1-CB 4.44Å; Y252-V302 HydrophobicContact CE1-CG1 3.88Å; Y252-V302 HydrophobicContact CE1-CG2 3.64Å; Y252-V302 HydrophobicContact CG-CG1 4.45Å; Y252-V302 HydrophobicContact CG-CG2 4.31Å; T300-V302 HydrophobicContact CG2-CG2 4.32Å
303I90.9Very high72.5Confident10 Ų1091.1 Ų91.15%0.05146%0.457CS..EExtended strand (participates in β ladder)trans-131.3137.2178.1-160.9162.9000110.9I151 V162 D163 V165 L250 V251 V305I151-I303 HydrophobicContact CB-CD1 4.11Å; I151-I303 HydrophobicContact CD1-CB 3.82Å; I151-I303 HydrophobicContact CD1-CD1 3.87Å; I151-I303 HydrophobicContact CD1-CG1 4.43Å; I151-I303 HydrophobicContact CD1-CG2 4Å; I151-I303 HydrophobicContact CG2-CD1 3.64Å; V162-I303 HydrophobicContact CG2-CD1 4.44Å; D163-I303 WeakPolarHBondContact O-CA 3.17Å; D163-I303 WeakPolarHBondContact O-CG1 3.25Å; V165-I303 HydrophobicContact CB-CD1 4.13Å; V165-I303 HydrophobicContact CG1-CD1 3.45Å; V165-I303 VanDerWaalsContact CG1-CD1 3.45Å; V165-I303 HydrophobicContact CG1-CG1 4.24Å; V165-I303 HydrophobicContact CG2-CD1 3.59Å; V165-I303 HydrophobicContact CG2-CG1 3.9Å; L250-I303 WeakPolarHBondContact CA-O 3.02Å; V251-I303 HydrophobicContact CB-CG2 3.9Å; V251-I303 PolarHBondContact N-O 2.67Å; V251-I303 PolarHBondContact O-N 3.17Å; I303-V305 HydrophobicContact CG2-CG2 4.41Å
304R91.5Very high72.9Confident132 Ų13290.6 Ų90.650%0.49846%0.458SS..EExtended strand (participates in β ladder)trans-89.6134.9171.6-179.9178.9-71.1165.9-0.2109.4D163 T164 V165 L250D163-R304 PolarHBondContact O-N 3.13Å; T164-R304 CarbonylContact C-O 3.53Å; T164-R304 VanDerWaalsContact CA-O 3.28Å; T164-R304 WeakPolarHBondContact CA-O 3.17Å; T164-R304 HydrophobicContact CG2-CB 4.38Å; T164-R304 HydrophobicContact CG2-CG 4.46Å; V165-R304 PolarHBondContact N-O 2.93Å; L250-R304 HydrophobicContact CD2-CB 3.86Å; L250-R304 HydrophobicContact CD2-CG 4.27Å
305V90.4Very high72.6Confident1 Ų191.2 Ų91.21%0.00647%0.472CS..EExtended strand (participates in β ladder)trans-114.7121.5178.8-174.10000110.2V165 V167 F243 Q244 Q249 V251 I303V165-V305 HydrophobicContact CG2-CG2 3.89Å; V165-V305 CarbonylContact O-C 3.54Å; V165-V305 VanDerWaalsContact O-CA 3.25Å; V165-V305 WeakPolarHBondContact O-CA 3.48Å; V167-V305 HydrophobicContact CG2-CG1 3.61Å; F243-V305 WeakPolarHBondContact O-CG2 3.46Å; Q244-V305 HydrophobicContact CB-CB 3.97Å; Q244-V305 HydrophobicContact CB-CG1 4.09Å; Q244-V305 HydrophobicContact CB-CG2 4.5Å; Q244-V305 HydrophobicContact CG-CG1 4.46Å; Q249-V305 PolarHBondContact O-N 3.12Å; V251-V305 HydrophobicContact CG2-CG2 4.25Å; I303-V305 HydrophobicContact CG2-CG2 4.41Å
306E88.5Confident71.6Confident92 Ų9293.4 Ų93.443%0.4349%0.49SS..EExtended strand (participates in β ladder)trans-88.6132.2177.4-65.3-172.7168.900110.3T164 V165 H166 V167T164-E306 HydrophobicContact CG2-CG 3.85Å; V165-E306 PolarHBondContact O-N 3.23Å; H166-E306 IonicContact NE2-OE2 3.47Å; V167-E306 PolarHBondContact N-O 3.26Å
307Q75.9Confident69.8Low126 Ų12694.7 Ų94.759%0.58951%0.505SS*.PPolyproline II helixtrans-74.8141177.2-68.3-174.6-27.400110.2
308Q66.6Low68.1Low149 Ų14999.9 Ų99.970%0.69654%0.541SS*.PPolyproline II helixtrans-69.1138.6172.1-167.2169.6-26.700109.7L310Q308-L310 VanDerWaalsContact O-CD1 3.31Å; Q308-L310 WeakPolarHBondContact O-CD1 3.48Å; Q308-L310 PolarHBondContact O-N 2.93Å
309E61.9Low65.9Low188 Ų188105 Ų10588%0.87956%0.563SS**  trans-60.2109.1174.2-68-172.5160.600109.6Q311E309-Q311 PolarHBondContact O-N 2.88Å
310L59.2Low63.4Low159 Ų159113.4 Ų113.483%0.83260%0.602SS**PPolyproline II helixtrans-68.9117174.8-90.771.3000108.6Q308 S312Q308-L310 VanDerWaalsContact O-CD1 3.31Å; Q308-L310 WeakPolarHBondContact O-CD1 3.48Å; Q308-L310 PolarHBondContact O-N 2.93Å; L310-S312 PolarHBondContact O-N 2.76Å
311Q55.3Low60.9Low186 Ų186119.2 Ų119.287%0.86963%0.629SS**PPolyproline II helixtrans-60.9126.3166.3-69.3-179.5-6.400108.7E309 I313E309-Q311 PolarHBondContact O-N 2.88Å; Q311-I313 PolarHBondContact O-N 2.59Å; Q311-I313 VanDerWaalsContact O-N 3.13Å
312S47.3Very low58.3Low103 Ų103124.4 Ų124.472%0.7266%0.66SS**PPolyproline II helixtrans-61.5118.7179.263.50000109.4L310 V314L310-S312 PolarHBondContact O-N 2.76Å; S312-V314 PolarHBondContact O-N 2.71Å
313I48.9Very low55.6Low163 Ų163129.2 Ų129.284%0.83668%0.678SS**  trans-67.893165.9-57.5170.2000105.8Q311 P315Q311-I313 PolarHBondContact O-N 2.59Å; Q311-I313 VanDerWaalsContact O-N 3.13Å; I313-P315 WeakPolarHBondContact O-CD 3.31Å
314V49.1Very low52.9Low101 Ų101134.9 Ų134.961%0.61272%0.718SS**  trans-61.9119.8166.5179.70000105.4S312 T316S312-V314 PolarHBondContact O-N 2.71Å; V314-T316 PolarHBondContact O-N 2.84Å
315P42.8Very low50.3Low121 Ų121132.1 Ų132.179%0.78672%0.723SS**  trans-71.986.9-178.727.9-30.8000108.3I313 S317I313-P315 WeakPolarHBondContact O-CD 3.31Å; P315-S317 PolarHBondContact O-N 2.83Å
316T40.7Very low47.7Very low123 Ų123143.1 Ų143.176%0.75577%0.765SS**  trans-67.2123.8164.6-550000106.9V314V314-T316 PolarHBondContact O-N 2.84Å
317S36.8Very low45.4Very low91 Ų91144.3 Ų144.364%0.63678%0.779SS**  trans-39.8145.5-175.951.10000114.2P315 Q319P315-S317 PolarHBondContact O-N 2.83Å; S317-Q319 PolarHBondContact O-N 3.5Å
318P44.9Very low44Very low132 Ų132145.4 Ų145.486%0.85778%0.784SS**SBendtrans-76.780.8-165.432.2-35.7000112
319Q39.1Very low43.5Very low180 Ų180146.4 Ų146.484%0.84179%0.789SS**  trans-142.5136.6153.7-69.1-164.5-25.700108.2S317S317-Q319 PolarHBondContact O-N 3.5Å
320E34Very low43.3Very low188 Ų188145.8 Ų145.888%0.87978%0.783SS**  trans89.463.8175-50.3-164.1144.600117V322E320-V322 VanDerWaalsContact C-N 3.29Å; E320-V322 PolarHBondContact O-N 2.85Å
321L35.4Very low43.9Very low178 Ų178143.9 Ų143.993%0.93278%0.782SS**  trans-75.378149.4-178.776.4000109.2
322V35.1Very low45Very low122 Ų122140.1 Ų140.174%0.73977%0.767SS**  trans-147.7119.9164.8177.90000111.1E320E320-V322 VanDerWaalsContact C-N 3.29Å; E320-V322 PolarHBondContact O-N 2.85Å
323Q32.7Very low46.5Very low168 Ų168140 Ų14079%0.78576%0.758SS**  trans55.598.9159.7-121.784.9-900119A325Q323-A325 PolarHBondContact O-N 2.91Å
324S34.7Very low48.1Very low130 Ų130138.3 Ų138.391%0.90975%0.75SS**  trans-54.480.3154.7172.60000111.5
325A37.5Very low49.8Very low73 Ų73137.2 Ų137.260%0.60374%0.744SS**  trans-91.2106.8163.200000107.8Q323 T327Q323-A325 PolarHBondContact O-N 2.91Å; A325-T327 VanDerWaalsContact C-N 3.34Å; A325-T327 PolarHBondContact O-N 2.84Å
326R35Very low51.9Low232 Ų232134.5 Ų134.588%0.87573%0.725SS**  trans-3991.8170.4-169.4-175.5-149.9155.24.1110.6
327T40.6Very low54.3Low117 Ų117130.3 Ų130.372%0.71870%0.702SS**  trans-93.4116.516931.50000105.2A325 E329A325-T327 VanDerWaalsContact C-N 3.34Å; A325-T327 PolarHBondContact O-N 2.84Å; T327-E329 PolarHBondContact O-N 2.89Å
328E46.6Very low56.9Low149 Ų149130.4 Ų130.470%0.69670%0.695SS**  trans-65.5103.6173.2-62.7-141.1148.100107.6F330E328-F330 HydrophobicContact CB-CE2 4.41Å; E328-F330 WeakPolarHBondContact O-CD2 3.45Å; E328-F330 PolarHBondContact O-N 2.86Å
329E55.3Low59.3Low171 Ų171129.3 Ų129.380%0.79968%0.681SS**  trans-65.6100175.9-72.4-179.715600108.6T327 C331T327-E329 PolarHBondContact O-N 2.89Å; E329-C331 PolarHBondContact O-N 2.86Å; E329-C331 VanDerWaalsContact O-N 3.09Å
330F59.2Low61.9Low174 Ų174125.8 Ų125.876%0.76367%0.668SS**  trans-74.394.7165.2-75.1-83.1000108.4E328 I332E328-F330 HydrophobicContact CB-CE2 4.41Å; E328-F330 WeakPolarHBondContact O-CD2 3.45Å; E328-F330 PolarHBondContact O-N 2.86Å; F330-I332 PolarHBondContact O-N 2.73Å; F330-I332 VanDerWaalsContact O-N 3.15Å
331C71.9Confident64.7Low120 Ų120122.7 Ų122.781%0.81166%0.656SS**  trans-66.6108.8171.1-64.50000109.5E329E329-C331 PolarHBondContact O-N 2.86Å; E329-C331 VanDerWaalsContact O-N 3.09Å
332I76.8Confident67.5Low106 Ų106117.6 Ų117.654%0.54463%0.633SS.*  trans-93.7123.4168.4-63173.1000107.1F330 L334 V336 A337F330-I332 PolarHBondContact O-N 2.73Å; F330-I332 VanDerWaalsContact O-N 3.15Å; I332-L334 PolarHBondContact O-N 2.76Å; I332-V336 HydrophobicContact CG2-CB 3.76Å; I332-V336 HydrophobicContact CG2-CG1 3.75Å; I332-A337 HydrophobicContact CG2-CB 4.43Å
333D78.6Confident70.4Confident100 Ų100116.2 Ų116.254%0.53562%0.624SS.*  trans-53.3135.2174.8-175.5-4.9000109.9T335 V336 A337D333-T335 PolarHBondContact O-N 2.82Å; D333-T335 VanDerWaalsContact O-N 3.09Å; D333-T335 PolarHBondContact OD1-N 3.44Å; D333-T335 PolarHBondContact OD1-OG1 2.93Å; D333-T335 PolarHBondContact OD2-OG1 3.3Å; D333-V336 HydrophobicContact CB-CG2 4.16Å; D333-V336 WeakPolarHBondContact O-CA 3.45Å; D333-V336 WeakPolarHBondContact O-CB 3.29Å; D333-V336 PolarHBondContact O-N 2.91Å; D333-A337 PolarHBondContact O-N 3.15Å
334L83.9Confident73.4Confident128 Ų128114.7 Ų114.767%0.6762%0.615SS**Hα-helixtrans-51.9-35.4-179.3-17965.3000111.4I332 A337 I338I332-L334 PolarHBondContact O-N 2.76Å; L334-A337 PolarHBondContact O-N 3.03Å; L334-I338 HydrophobicContact CD1-CD1 4.38Å; L334-I338 HydrophobicContact CG-CD1 4.04Å; L334-I338 VanDerWaalsContact O-CG1 3.26Å; L334-I338 WeakPolarHBondContact O-CG1 3.39Å; L334-I338 PolarHBondContact O-N 2.95Å
335T84.3Confident76.3Confident79 Ų79110.8 Ų110.849%0.48559%0.591SS.*Hα-helixtrans-62-42.7176.361.70000112D333 I338 L339D333-T335 PolarHBondContact O-N 2.82Å; D333-T335 VanDerWaalsContact O-N 3.09Å; D333-T335 PolarHBondContact OD1-N 3.44Å; D333-T335 PolarHBondContact OD1-OG1 2.93Å; D333-T335 PolarHBondContact OD2-OG1 3.3Å; T335-I338 PolarHBondContact O-N 3.4Å; T335-L339 WeakPolarHBondContact O-CG 3.49Å; T335-L339 PolarHBondContact O-N 2.85Å; T335-L339 VanDerWaalsContact O-N 3.07Å
336V87.4Confident79.1Confident64 Ų64111.2 Ų111.239%0.38859%0.586SS.*Hα-helixtrans-69-41.1177.5179.10000110.6I332 D333 I338 L339 L340I332-V336 HydrophobicContact CG2-CB 3.76Å; I332-V336 HydrophobicContact CG2-CG1 3.75Å; D333-V336 HydrophobicContact CB-CG2 4.16Å; D333-V336 WeakPolarHBondContact O-CA 3.45Å; D333-V336 WeakPolarHBondContact O-CB 3.29Å; D333-V336 PolarHBondContact O-N 2.91Å; V336-I338 VanDerWaalsContact C-N 3.34Å; V336-I338 PolarHBondContact O-N 3.25Å; V336-L339 PolarHBondContact O-N 2.84Å; V336-L340 HydrophobicContact CG1-CD1 4.08Å; V336-L340 HydrophobicContact CG1-CG 4.37Å; V336-L340 WeakPolarHBondContact O-CG 3.38Å; V336-L340 PolarHBondContact O-N 2.82Å
337A89.8Confident82Confident34 Ų34103.8 Ų103.828%0.28157%0.566SS.*Hα-helixtrans-60.3-43.6176.500000112I332 D333 L334 L340 L341I332-A337 HydrophobicContact CG2-CB 4.43Å; D333-A337 PolarHBondContact O-N 3.15Å; L334-A337 PolarHBondContact O-N 3.03Å; A337-L340 PolarHBondContact O-N 3.19Å; A337-L341 WeakPolarHBondContact O-CG 3.46Å; A337-L341 PolarHBondContact O-N 3.04Å
338I92Very high84.6Confident93 Ų93100.5 Ų100.548%0.47755%0.547SS..Hα-helixtrans-64-43.5176.5-66.7165.3000110.8L334 T335 V336 L340 L341 T342L334-I338 HydrophobicContact CD1-CD1 4.38Å; L334-I338 HydrophobicContact CG-CD1 4.04Å; L334-I338 VanDerWaalsContact O-CG1 3.26Å; L334-I338 WeakPolarHBondContact O-CG1 3.39Å; L334-I338 PolarHBondContact O-N 2.95Å; T335-I338 PolarHBondContact O-N 3.4Å; V336-I338 VanDerWaalsContact C-N 3.34Å; V336-I338 PolarHBondContact O-N 3.25Å; I338-L340 PolarHBondContact O-N 2.98Å; I338-L341 PolarHBondContact O-N 2.9Å; I338-T342 HydrophobicContact CG2-CG2 4.35Å; I338-T342 VanDerWaalsContact O-CG2 3.28Å; I338-T342 WeakPolarHBondContact O-CG2 3.19Å; I338-T342 PolarHBondContact O-N 2.83Å; I338-T342 PolarHBondContact O-OG1 3.29Å; I338-T342 VanDerWaalsContact O-OG1 3.08Å
339L94.3Very high87Confident110 Ų11099 Ų9958%0.57654%0.544SS*.Hα-helixtrans-61.5-43.1176.8-73.5170.8000112T335 V336 T342 V343T335-L339 WeakPolarHBondContact O-CG 3.49Å; T335-L339 PolarHBondContact O-N 2.85Å; T335-L339 VanDerWaalsContact O-N 3.07Å; V336-L339 PolarHBondContact O-N 2.84Å; L339-T342 WeakPolarHBondContact CA-OG1 3.27Å; L339-T342 PolarHBondContact O-N 2.76Å; L339-T342 PolarHBondContact O-OG1 3.23Å; L339-V343 VanDerWaalsContact O-CG2 3.25Å; L339-V343 WeakPolarHBondContact O-CG2 3.5Å; L339-V343 PolarHBondContact O-N 2.8Å
340L93.9Very high88.9Confident106 Ų10695.5 Ų95.556%0.55553%0.53SS*.Hα-helixtrans-64.6-42.5177.6-70.4173.5000112.4V336 A337 I338 V343 F344V336-L340 HydrophobicContact CG1-CD1 4.08Å; V336-L340 HydrophobicContact CG1-CG 4.37Å; V336-L340 WeakPolarHBondContact O-CG 3.38Å; V336-L340 PolarHBondContact O-N 2.82Å; A337-L340 PolarHBondContact O-N 3.19Å; I338-L340 PolarHBondContact O-N 2.98Å; L340-V343 PolarHBondContact O-N 2.81Å; L340-F344 WeakPolarHBondContact O-CB 3.5Å; L340-F344 PolarHBondContact O-N 2.89Å
341L94.6Very high90.6Very high122 Ų12290.5 Ų90.564%0.63952%0.516SS*.Hα-helixtrans-65.4-40.5178-73.3173.6000112.3A337 I338 F344 A345A337-L341 WeakPolarHBondContact O-CG 3.46Å; A337-L341 PolarHBondContact O-N 3.04Å; I338-L341 PolarHBondContact O-N 2.9Å; L341-F344 PolarHBondContact O-N 3.25Å; L341-A345 WeakPolarHBondContact O-CB 3.02Å; L341-A345 PolarHBondContact O-N 2.85Å
342T94Very high91.6Very high72 Ų7290 Ų9044%0.44251%0.505SS..Hα-helixtrans-66.2-42.9177.154.90000111.7I338 L339 F344 A345 V346I338-T342 HydrophobicContact CG2-CG2 4.35Å; I338-T342 VanDerWaalsContact O-CG2 3.28Å; I338-T342 WeakPolarHBondContact O-CG2 3.19Å; I338-T342 PolarHBondContact O-N 2.83Å; I338-T342 PolarHBondContact O-OG1 3.29Å; I338-T342 VanDerWaalsContact O-OG1 3.08Å; L339-T342 WeakPolarHBondContact CA-OG1 3.27Å; L339-T342 PolarHBondContact O-N 2.76Å; L339-T342 PolarHBondContact O-OG1 3.23Å; T342-F344 PolarHBondContact O-N 2.81Å; T342-A345 PolarHBondContact O-N 2.97Å; T342-V346 WeakPolarHBondContact O-CG2 3.46Å; T342-V346 PolarHBondContact O-N 3.45Å
343V95.6Very high92.3Very high92 Ų9287.9 Ų87.956%0.55850%0.499SS*.Hα-helixtrans-61.5-45.2174.71720000110.8L339 L340 A345 V346 V347L339-V343 VanDerWaalsContact O-CG2 3.25Å; L339-V343 WeakPolarHBondContact O-CG2 3.5Å; L339-V343 PolarHBondContact O-N 2.8Å; L340-V343 PolarHBondContact O-N 2.81Å; V343-A345 PolarHBondContact O-N 2.76Å; V343-V346 PolarHBondContact O-N 2.95Å; V343-V347 WeakPolarHBondContact O-CG2 3.46Å; V343-V347 PolarHBondContact O-N 3.5Å
344F95.8Very high93Very high137 Ų13787.7 Ų87.760%0.60150%0.497SS*.Hα-helixtrans-60.7-44.8177.8-174-100.6000112L340 L341 T342 V346 V347 C348L340-F344 WeakPolarHBondContact O-CB 3.5Å; L340-F344 PolarHBondContact O-N 2.89Å; L341-F344 PolarHBondContact O-N 3.25Å; T342-F344 PolarHBondContact O-N 2.81Å; F344-V346 VanDerWaalsContact C-N 3.35Å; F344-V346 PolarHBondContact O-N 3.31Å; F344-V347 PolarHBondContact O-N 3.48Å; F344-C348 VanDerWaalsContact CE1-SG 3.59Å; F344-C348 PolarHBondContact O-N 2.99Å; F344-C348 PolarHBondContact O-SG 3.36Å; F344-C348 VanDerWaalsContact O-SG 3.36Å
345A95.4Very high93.2Very high48 Ų4886.9 Ų86.940%0.39749%0.491SS..Hα-helixtrans-60.6-42.517700000112.2L341 T342 V343 C348 L349L341-A345 WeakPolarHBondContact O-CB 3.02Å; L341-A345 PolarHBondContact O-N 2.85Å; T342-A345 PolarHBondContact O-N 2.97Å; V343-A345 PolarHBondContact O-N 2.76Å; A345-C348 PolarHBondContact O-N 2.88Å; A345-L349 VanDerWaalsContact O-CG 3.31Å; A345-L349 WeakPolarHBondContact O-CG 3.5Å; A345-L349 PolarHBondContact O-N 2.86Å
346V96Very high93.4Very high82 Ų8287 Ų8750%0.49749%0.492SS..Hα-helixtrans-63.5-43.7176.9172.70000111.1T342 V343 F344 C348 L349 L350T342-V346 WeakPolarHBondContact O-CG2 3.46Å; T342-V346 PolarHBondContact O-N 3.45Å; V343-V346 PolarHBondContact O-N 2.95Å; F344-V346 VanDerWaalsContact C-N 3.35Å; F344-V346 PolarHBondContact O-N 3.31Å; V346-C348 PolarHBondContact O-N 3.07Å; V346-L349 PolarHBondContact O-N 3.04Å; V346-L350 HydrophobicContact CG1-CD1 4.05Å; V346-L350 HydrophobicContact CG1-CG 4.47Å; V346-L350 WeakPolarHBondContact O-CG 3.35Å; V346-L350 PolarHBondContact O-N 3.11Å
347V96.3Very high93.5Very high75 Ų7591 Ų9146%0.45550%0.501SS..Hα-helixtrans-61.6-44.7176.91730000110.9V343 F344 L349 L350 C351V343-V347 WeakPolarHBondContact O-CG2 3.46Å; V343-V347 PolarHBondContact O-N 3.5Å; F344-V347 PolarHBondContact O-N 3.48Å; V347-L349 PolarHBondContact O-N 3.05Å; V347-L350 PolarHBondContact O-N 2.85Å; V347-C351 PolarHBondContact O-N 3.17Å; V347-C351 PolarHBondContact O-SG 2.97Å
348C95.3Very high93.4Very high49 Ų4993.2 Ų93.233%0.33151%0.508SS..Hα-helixtrans-60.5-43.5176.6-71.10000112.3F344 A345 V346 L350 C351 L352F344-C348 VanDerWaalsContact CE1-SG 3.59Å; F344-C348 PolarHBondContact O-N 2.99Å; F344-C348 PolarHBondContact O-SG 3.36Å; F344-C348 VanDerWaalsContact O-SG 3.36Å; A345-C348 PolarHBondContact O-N 2.88Å; V346-C348 PolarHBondContact O-N 3.07Å; C348-L350 VanDerWaalsContact C-N 3.35Å; C348-L350 PolarHBondContact O-N 2.82Å; C348-C351 PolarHBondContact O-N 2.71Å; C348-L352 VanDerWaalsContact O-CG 3.29Å; C348-L352 WeakPolarHBondContact O-CG 3.48Å; C348-L352 PolarHBondContact O-N 3.47Å
349L95.6Very high93.1Very high117 Ų11792.4 Ų92.461%0.61351%0.509SS*.Hα-helixtrans-63.8-40.2176.9-70.6171.4000111.9A345 V346 V347 L352 S353A345-L349 VanDerWaalsContact O-CG 3.31Å; A345-L349 WeakPolarHBondContact O-CG 3.5Å; A345-L349 PolarHBondContact O-N 2.86Å; V346-L349 PolarHBondContact O-N 3.04Å; V347-L349 PolarHBondContact O-N 3.05Å; L349-L352 PolarHBondContact O-N 3.23Å; L349-S353 WeakPolarHBondContact O-CB 3.23Å; L349-S353 PolarHBondContact O-N 2.94Å
350L95.6Very high92.6Very high97 Ų9796.8 Ų96.851%0.50852%0.518SS..Hα-helixtrans-63.6-45.7174.9-71.8171.6000111.3V346 V347 C348 L352 S353 I354V346-L350 HydrophobicContact CG1-CD1 4.05Å; V346-L350 HydrophobicContact CG1-CG 4.47Å; V346-L350 WeakPolarHBondContact O-CG 3.35Å; V346-L350 PolarHBondContact O-N 3.11Å; V347-L350 PolarHBondContact O-N 2.85Å; C348-L350 VanDerWaalsContact C-N 3.35Å; C348-L350 PolarHBondContact O-N 2.82Å; L350-L352 VanDerWaalsContact C-N 3.34Å; L350-L352 PolarHBondContact O-N 2.9Å; L350-S353 PolarHBondContact O-N 3.31Å; L350-S353 PolarHBondContact O-OG 3.22Å; L350-I354 VanDerWaalsContact O-CG1 3.29Å; L350-I354 WeakPolarHBondContact O-CG1 2.94Å; L350-I354 PolarHBondContact O-N 3.07Å
351C94.4Very high91.9Very high69 Ų6999.3 Ų99.347%0.46652%0.52SS..Hα-helixtrans-59.1-43.6175.4-69.70000112V347 C348 I354 M355V347-C351 PolarHBondContact O-N 3.17Å; V347-C351 PolarHBondContact O-SG 2.97Å; C348-C351 PolarHBondContact O-N 2.71Å; C351-I354 PolarHBondContact O-N 3.1Å; C351-M355 WeakPolarHBondContact O-CB 3.28Å; C351-M355 VanDerWaalsContact O-CG 3.28Å; C351-M355 WeakPolarHBondContact O-CG 3.44Å; C351-M355 PolarHBondContact O-N 2.94Å
352L93.9Very high90.7Very high111 Ų11199.6 Ų99.658%0.58152%0.522SS*.Hα-helixtrans-65.2-39.1176.6-69.5172.5000111.9C348 L349 L350 M355 T356C348-L352 VanDerWaalsContact O-CG 3.29Å; C348-L352 WeakPolarHBondContact O-CG 3.48Å; C348-L352 PolarHBondContact O-N 3.47Å; L349-L352 PolarHBondContact O-N 3.23Å; L350-L352 VanDerWaalsContact C-N 3.34Å; L350-L352 PolarHBondContact O-N 2.9Å; L352-M355 PolarHBondContact O-N 3.32Å; L352-T356 WeakPolarHBondContact O-CB 3.26Å; L352-T356 WeakPolarHBondContact O-CG2 3.41Å; L352-T356 PolarHBondContact O-N 2.02Å; L352-T356 PolarHBondContact O-OG1 2.87Å
353S91Very high89.2Confident61 Ų61103.4 Ų103.443%0.42754%0.539SS..Hα-helixtrans-65.1-39.7175.876.60000112.1L349 L350 T356 Y357L349-S353 WeakPolarHBondContact O-CB 3.23Å; L349-S353 PolarHBondContact O-N 2.94Å; L350-S353 PolarHBondContact O-N 3.31Å; L350-S353 PolarHBondContact O-OG 3.22Å; S353-T356 WeakPolarHBondContact CA-OG1 3.23Å; S353-T356 PolarHBondContact O-OG1 2.8Å; S353-Y357 VanDerWaalsContact O-CB 3.31Å; S353-Y357 WeakPolarHBondContact O-CB 3.47Å; S353-Y357 PolarHBondContact O-N 3.42Å
354I92.7Very high87.6Confident96 Ų96106 Ų10649%0.49255%0.549SS..Hα-helixtrans-67.3-44.5175.6-66.7165.4000110.7L350 C351 T356 Y357 L358L350-I354 VanDerWaalsContact O-CG1 3.29Å; L350-I354 WeakPolarHBondContact O-CG1 2.94Å; L350-I354 PolarHBondContact O-N 3.07Å; C351-I354 PolarHBondContact O-N 3.1Å; I354-T356 PolarHBondContact O-N 2.95Å; I354-Y357 WeakPolarHBondContact O-CB 3.35Å; I354-Y357 PolarHBondContact O-N 3.24Å; I354-L358 HydrophobicContact CG2-CD1 3.83Å; I354-L358 HydrophobicContact CG2-CG 4.3Å; I354-L358 WeakPolarHBondContact O-CB 3.47Å; I354-L358 VanDerWaalsContact O-CG 3.32Å; I354-L358 WeakPolarHBondContact O-CG 3.29Å; I354-L358 PolarHBondContact O-N 3.44Å
355M89.7Confident85.8Confident110 Ų110105.7 Ų105.754%0.54255%0.554SS.*Hα-helixtrans-63.4-42.8178.4-73.5-59-65.300112C351 L352 Y357 L358 C359C351-M355 WeakPolarHBondContact O-CB 3.28Å; C351-M355 VanDerWaalsContact O-CG 3.28Å; C351-M355 WeakPolarHBondContact O-CG 3.44Å; C351-M355 PolarHBondContact O-N 2.94Å; L352-M355 PolarHBondContact O-N 3.32Å; M355-Y357 VanDerWaalsContact C-N 3.34Å; M355-Y357 PolarHBondContact O-N 2.89Å; M355-L358 PolarHBondContact O-N 2.92Å; M355-C359 WeakPolarHBondContact O-CB 3.37Å; M355-C359 PolarHBondContact O-N 3.42Å; M355-C359 PolarHBondContact O-SG 3.16Å; M355-C359 VanDerWaalsContact O-SG 3.4Å
356T88.4Confident83.6Confident83 Ų83108.4 Ų108.451%0.50957%0.57SS.*Hα-helixtrans-66.7-36.1175.751.90000112.1L352 S353 I354 R360L352-T356 WeakPolarHBondContact O-CB 3.26Å; L352-T356 WeakPolarHBondContact O-CG2 3.41Å; L352-T356 PolarHBondContact O-N 2.02Å; L352-T356 PolarHBondContact O-OG1 2.87Å; S353-T356 WeakPolarHBondContact CA-OG1 3.23Å; S353-T356 PolarHBondContact O-OG1 2.8Å; I354-T356 PolarHBondContact O-N 2.95Å; T356-R360 WeakPolarHBondContact O-CB 3.26Å; T356-R360 WeakPolarHBondContact O-CG 3.34Å; T356-R360 PolarHBondContact O-N 2.86Å
357Y89.2Confident81.3Confident148 Ų148110.1 Ų110.158%0.5858%0.583SS**Hα-helixtrans-64.4-46.5172.8-177.4-99.4000112S353 I354 M355 R360 R361S353-Y357 VanDerWaalsContact O-CB 3.31Å; S353-Y357 WeakPolarHBondContact O-CB 3.47Å; S353-Y357 PolarHBondContact O-N 3.42Å; I354-Y357 WeakPolarHBondContact O-CB 3.35Å; I354-Y357 PolarHBondContact O-N 3.24Å; M355-Y357 VanDerWaalsContact C-N 3.34Å; M355-Y357 PolarHBondContact O-N 2.89Å; Y357-R360 PolarHBondContact O-N 3.21Å; Y357-R361 WeakPolarHBondContact O-CB 3.1Å; Y357-R361 PolarHBondContact O-N 3.12Å
358L88Confident78.5Confident79 Ų79115.9 Ų115.941%0.41460%0.602SS.*Hα-helixtrans-63.2-43.2176.6-72.3170.4000111.8I354 M355 R361 L362I354-L358 HydrophobicContact CG2-CD1 3.83Å; I354-L358 HydrophobicContact CG2-CG 4.3Å; I354-L358 WeakPolarHBondContact O-CB 3.47Å; I354-L358 VanDerWaalsContact O-CG 3.32Å; I354-L358 WeakPolarHBondContact O-CG 3.29Å; I354-L358 PolarHBondContact O-N 3.44Å; M355-L358 PolarHBondContact O-N 2.92Å; L358-R361 PolarHBondContact O-N 2.99Å; L358-L362 WeakPolarHBondContact O-CB 3.49Å; L358-L362 WeakPolarHBondContact O-CG 3.41Å; L358-L362 PolarHBondContact O-N 3.43Å
359C84.7Confident75.8Confident76 Ų76121.2 Ų121.251%0.51463%0.627SS.*Hα-helixtrans-62.6-43.2175-77.60000112.1M355 R361 L362 L363M355-C359 WeakPolarHBondContact O-CB 3.37Å; M355-C359 PolarHBondContact O-N 3.42Å; M355-C359 PolarHBondContact O-SG 3.16Å; M355-C359 VanDerWaalsContact O-SG 3.4Å; C359-R361 VanDerWaalsContact C-N 3.29Å; C359-R361 PolarHBondContact O-N 3.33Å; C359-L362 PolarHBondContact O-N 3.26Å; C359-L363 WeakPolarHBondContact O-CB 3.49Å; C359-L363 PolarHBondContact O-N 2.99Å
360R84.1Confident73.2Confident202 Ų202120.6 Ų120.676%0.76263%0.63SS**Hα-helixtrans-63.5-37.6175.5-78.2-179177.4-174.60.6111.9T356 Y357 N364T356-R360 WeakPolarHBondContact O-CB 3.26Å; T356-R360 WeakPolarHBondContact O-CG 3.34Å; T356-R360 PolarHBondContact O-N 2.86Å; Y357-R360 PolarHBondContact O-N 3.21Å; R360-N364 PolarHBondContact O-N 3.43Å
361R80.5Confident70.3Confident159 Ų159125.6 Ų125.660%0.665%0.648SS**Hα-helixtrans-68.8-42.7178.2-158.9177.3-177.4-172.81.1111.8Y357 L358 C359 N364Y357-R361 WeakPolarHBondContact O-CB 3.1Å; Y357-R361 PolarHBondContact O-N 3.12Å; L358-R361 PolarHBondContact O-N 2.99Å; C359-R361 VanDerWaalsContact C-N 3.29Å; C359-R361 PolarHBondContact O-N 3.33Å; R361-N364 PolarHBondContact O-N 2.91Å
362L67.5Low67.3Low128 Ų128126.9 Ų126.967%0.6766%0.658SS**Hα-helixtrans-65.7-37.7175-74.9169.3000112.4L358 C359 N364 D365L358-L362 WeakPolarHBondContact O-CB 3.49Å; L358-L362 WeakPolarHBondContact O-CG 3.41Å; L358-L362 PolarHBondContact O-N 3.43Å; C359-L362 PolarHBondContact O-N 3.26Å; L362-N364 PolarHBondContact O-N 2.72Å; L362-D365 PolarHBondContact O-N 2.84Å
363L63.5Low64.5Low152 Ų152126.7 Ų126.780%0.79667%0.666SS**Hα-helixtrans-66.7-27.2177.6-16074.9000112.2C359 D365C359-L363 WeakPolarHBondContact O-CB 3.49Å; C359-L363 PolarHBondContact O-N 2.99Å; L363-D365 VanDerWaalsContact C-N 3.29Å; L363-D365 PolarHBondContact O-N 3.35Å
364N61.8Low61.7Low146 Ų146129.8 Ų129.878%0.78169%0.686SS**THydrogen-bonded Turntrans-80.2-9.5178.7-148.750.8000113.5R360 R361 L362R360-N364 PolarHBondContact O-N 3.43Å; R361-N364 PolarHBondContact O-N 2.91Å; L362-N364 PolarHBondContact O-N 2.72Å
365D58.7Low59Low131 Ų131131.1 Ų131.170%0.70170%0.704SS**THydrogen-bonded Turntrans-112.57.3-173.6-98.7-11.5000115L362 L363L362-D365 PolarHBondContact O-N 2.84Å; L363-D365 VanDerWaalsContact C-N 3.29Å; L363-D365 PolarHBondContact O-N 3.35Å
366S49.3Very low56.5Low106 Ų106132.6 Ų132.674%0.74172%0.719SS**PPolyproline II helixtrans-92.6120.2173.9-92.70000113
367P47.1Very low54.2Low117 Ų117134.3 Ų134.376%0.7673%0.734SS**PPolyproline II helixtrans-79.4155.9-17133.3-35.3000112.9D369P367-D369 PolarHBondContact O-N 3.43Å
368K36.8Very low51.8Low197 Ų197133 Ų13386%0.85774%0.742SS**PPolyproline II helixtrans-55.6119.1172.9-66.7170.3176.9172.40110.4
369D38.9Very low49.7Very low161 Ų161135 Ų13586%0.86176%0.759SS**  trans-151108.8147.5-87.5-34.7000109.2P367P367-D369 PolarHBondContact O-N 3.43Å
370P41.8Very low47.7Very low104 Ų104138 Ų13868%0.67578%0.776SS**  trans-99.3128.6173.733.5-24000109.7
371F35.2Very low45.7Very low201 Ų201134.4 Ų134.488%0.88278%0.781SS**  trans173.490.2149-93.9-67.5000106.6
372S31Very low43.7Very low97 Ų97138.3 Ų138.368%0.67880%0.796SS**  83.5141.98582.10000115.5
373S34.8Very low42.4Very low107 Ų107139 Ų13975%0.74881%0.806SS**  trans90.2100.3170.175.80000114.7
374C31.8Very low41.3Very low126 Ų126137.3 Ų137.385%0.85181%0.807SS**  64.9102.657.8-59.80000113.9
375S36.6Very low40.1Very low124 Ų124141.2 Ų141.287%0.86781%0.812SS**  179.7123.2115.653.10000110.6
376V36.7Very low39Very low141 Ų141140.4 Ų140.486%0.85582%0.817SS**  trans-102.8132.5178.11670000107.6
377S41.2Very low38.7Very low118 Ų118150.7 Ų150.783%0.82584%0.839SS**  trans-120.1121.3170.442.30000110.5
378T38.8Very low38.3Very low122 Ų122152.4 Ų152.475%0.74884%0.843SS**  trans-86.6136.9-172.8-33.50000111.2
379P43.8Very low38.3Very low119 Ų119150.1 Ų150.177%0.77384%0.843SS**  trans-104.1128.2172.434.2-25000111.4
380T42.3Very low38.3Very low140 Ų140149.4 Ų149.486%0.85984%0.842SS**  trans-140.6104.1164460000109.6
381S41.3Very low38.1Very low126 Ų126152.1 Ų152.188%0.88185%0.851SS**PPolyproline II helixtrans-101.8116.6164.748.60000108.7
382R39.5Very low38.3Very low241 Ų241149.1 Ų149.191%0.90985%0.849SS**PPolyproline II helixtrans-99.4132.8173.1-112.3-178.4-172.8176.72.3109.1
383T39.2Very low38.8Very low143 Ų143152.5 Ų152.588%0.87786%0.861SS**PPolyproline II helixtrans-63.2135.516828.40000111.7
384S41.6Very low39Very low116 Ų116155.8 Ų155.881%0.81187%0.869SS**  trans-125.8123166.960.30000110.2
385Y35.3Very low39.6Very low229 Ų229158.1 Ų158.190%0.89887%0.87SS**  trans-53.3142.6162.2-91.8-107.8000112.2
386S36.4Very low39.9Very low113 Ų113160.9 Ų160.979%0.7987%0.87SS**  -177.3122.5123.257.50000112.3
387R42.2Very low40.1Very low323 Ų323162.7 Ų162.7100%1.21987%0.872SS**  trans76.80157.7-142.7178.8-114.3-179.2-1.9119.7

Retrieved 387 of 387 residues in 153.2 ms (Link to these results)