A0A077Z2P7_TRITR Loading...

Proteasome subunit alpha type 1

AlphaFold DB , UniProt , Accession A0A077Z2P7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 242 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
1M74.6Confident92.2Very high146 Ų14649.6 Ų49.672%0.71926%0.262SS*.  0-52.20-69.1-58.4-8900112.7A3 V4 S5 C123M1-A3 VanDerWaalsContact C-N 3.31Å; M1-A3 PolarHBondContact O-N 3.34Å; M1-V4 WeakPolarHBondContact O-CB 3.37Å; M1-V4 PolarHBondContact O-N 3.03Å; M1-S5 PolarHBondContact O-N 3.19Å; M1-C123 HydrophobicContact SD-CB 4.38Å
2K88.1Confident92.7Very high159 Ų15945.5 Ų45.569%0.69124%0.241SC*.Hα-helixtrans-49.3-44.2-179.1-168.3177.8179.8178.90115V4 S5 E6K2-V4 VanDerWaalsContact C-N 3.27Å; K2-V4 PolarHBondContact O-N 3.29Å; K2-S5 WeakPolarHBondContact CA-OG 3.5Å; K2-S5 PolarHBondContact O-N 3.4Å; K2-S5 PolarHBondContact O-OG 2.87Å; K2-E6 WeakPolarHBondContact CE-OE1 3.31Å; K2-E6 PolarHBondContact O-N 2.72Å
3A91.3Very high93.2Very high25 Ų2542 Ų4221%0.20722%0.222CC..Hα-helixtrans-58.8-36.5177.100000113.2M1 E6 G7 G51 L52 G104M1-A3 VanDerWaalsContact C-N 3.31Å; M1-A3 PolarHBondContact O-N 3.34Å; A3-E6 PolarHBondContact O-N 3.09Å; A3-G7 PolarHBondContact O-N 3.14Å; A3-G51 WeakPolarHBondContact O-CA 3.39Å; A3-L52 HydrophobicContact CB-CG 4.38Å; A3-G104 VanDerWaalsContact CB-O 3.3Å; A3-G104 WeakPolarHBondContact CB-O 3.4Å
4V95Very high93.6Very high13 Ų1341.7 Ų41.78%0.07922%0.218CC..Hα-helixtrans-66.5-43.9178.7-175.50000110.4M1 K2 E6 G7 A50 P124 I136 G137M1-V4 WeakPolarHBondContact O-CB 3.37Å; M1-V4 PolarHBondContact O-N 3.03Å; K2-V4 VanDerWaalsContact C-N 3.27Å; K2-V4 PolarHBondContact O-N 3.29Å; V4-E6 PolarHBondContact O-N 3.25Å; V4-G7 PolarHBondContact O-N 3.48Å; V4-G7 VanDerWaalsContact O-N 3.13Å; V4-A50 HydrophobicContact CG1-CB 3.99Å; V4-P124 HydrophobicContact CG2-CG 3.62Å; V4-I136 HydrophobicContact CG1-CB 4.2Å; V4-G137 WeakPolarHBondContact O-CA 3.25Å
5S93.2Very high93.9Very high63 Ų6339.7 Ų39.744%0.44121%0.208SC..Hα-helixtrans-65.6-22.9178.745.40000114.1M1 K2 S138M1-S5 PolarHBondContact O-N 3.19Å; K2-S5 WeakPolarHBondContact CA-OG 3.5Å; K2-S5 PolarHBondContact O-N 3.4Å; K2-S5 PolarHBondContact O-OG 2.87Å; S5-S138 WeakPolarHBondContact O-CA 3.22Å; S5-S138 WeakPolarHBondContact O-CB 2.97Å; S5-S138 PolarHBondContact O-N 2.78Å
6E91.7Very high94Very high115 Ų11545.9 Ų45.954%0.53724%0.235SC..Hα-helixtrans-78.1-26.4175.3-69.5170.1-171.500112.2K2 A3 V4 R26K2-E6 WeakPolarHBondContact CE-OE1 3.31Å; K2-E6 PolarHBondContact O-N 2.72Å; A3-E6 PolarHBondContact O-N 3.09Å; V4-E6 PolarHBondContact O-N 3.25Å; E6-R26 PolarHBondContact O-NH1 3.45Å
7G92.4Very high94.2Very high11 Ų1146.4 Ų46.411%0.11324%0.241CC..SBendtrans-65.3153.8172.800000112.4A3 V4 S138A3-G7 PolarHBondContact O-N 3.14Å; V4-G7 PolarHBondContact O-N 3.48Å; V4-G7 VanDerWaalsContact O-N 3.13Å; G7-S138 VanDerWaalsContact O-CB 3.32Å; G7-S138 WeakPolarHBondContact O-CB 3.44Å; G7-S138 PolarHBondContact O-N 3.48Å; G7-S138 PolarHBondContact O-OG 3.37Å
8S94.1Very high94.5Very high13 Ų1344.6 Ų44.69%0.09123%0.231CC..PPolyproline II helixtrans-64.7156.9174.257.30000112V24 K37S8-V24 VanDerWaalsContact CB-O 3.24Å; S8-V24 WeakPolarHBondContact CB-O 3.49Å; S8-V24 PolarHBondContact OG-O 3.45Å; S8-K37 PolarHBondContact O-NZ 3.34Å; S8-K37 WeakPolarHBondContact OG-CD 3.45Å; S8-K37 VanDerWaalsContact OG-CE 3.29Å; S8-K37 WeakPolarHBondContact OG-CE 3.43Å; S8-K37 PolarHBondContact OG-NZ 3.31Å
9A96.9Very high94.7Very high1 Ų142.3 Ų42.31%0.00822%0.219CC..PPolyproline II helixtrans-66.4152.5-178.700000113.1V24 K37 I136 L170 T173A9-V24 PolarHBondContact O-N 3.35Å; A9-V24 VanDerWaalsContact O-N 3.12Å; A9-K37 PolarHBondContact O-NZ 3.01Å; A9-I136 CarbonylContact C-O 3.57Å; A9-I136 VanDerWaalsContact CA-O 3.32Å; A9-I136 WeakPolarHBondContact CA-O 3.46Å; A9-L170 HydrophobicContact CB-CD1 4Å; A9-T173 HydrophobicContact CB-CG2 3.71Å; A9-T173 WeakPolarHBondContact CB-OG1 3.34Å
10T98.2Very high94.9Very high0 Ų040.2 Ų40.20%021%0.208CC..EExtended strand (participates in β ladder)trans-146.1150.7164-174.30000109.3V22 S48 A50 L108 S135 I136T10-V22 CarbonylContact C-O 3.6Å; T10-V22 VanDerWaalsContact CA-O 3.26Å; T10-V22 WeakPolarHBondContact CA-O 3.42Å; T10-V22 PolarHBondContact OG1-O 3.31Å; T10-S48 WeakPolarHBondContact CB-OG 3.34Å; T10-S48 WeakPolarHBondContact CG2-OG 3.39Å; T10-S48 VanDerWaalsContact OG1-CB 3.3Å; T10-S48 WeakPolarHBondContact OG1-CB 3.45Å; T10-S48 PolarHBondContact OG1-OG 3.2Å; T10-A50 HydrophobicContact CG2-CB 4.45Å; T10-L108 HydrophobicContact CG2-CD1 3.88Å; T10-L108 HydrophobicContact CG2-CG 4.17Å; T10-S135 VanDerWaalsContact O-CA 3.25Å; T10-S135 WeakPolarHBondContact O-CA 3.01Å; T10-S135 PolarHBondContact O-OG 3.44Å; T10-I136 HydrophobicContact CG2-CD1 4.17Å; T10-I136 HydrophobicContact CG2-CG1 3.56Å; T10-I136 PolarHBondContact N-O 2.82Å; T10-I136 PolarHBondContact O-N 2.68Å; T10-I136 VanDerWaalsContact O-N 3.09Å
11V98.8Very high95.1Very high0 Ų038.2 Ų38.20%020%0.198CC..EExtended strand (participates in β ladder)trans-125.3135.2-179.1176.10000107.5L21 V22 M134 A143 L147 A169 L170V11-L21 WeakPolarHBondContact O-CA 3.29Å; V11-V22 PolarHBondContact N-O 3.43Å; V11-V22 PolarHBondContact O-N 3.08Å; V11-M134 CarbonylContact C-O 3.48Å; V11-M134 WeakPolarHBondContact CA-O 3.21Å; V11-A143 HydrophobicContact CG2-CB 4.17Å; V11-L147 HydrophobicContact CG1-CD1 4.01Å; V11-L147 HydrophobicContact CG1-CD2 4.24Å; V11-A169 HydrophobicContact CG1-CB 4.3Å; V11-A169 HydrophobicContact CG2-CB 4.19Å; V11-L170 HydrophobicContact CG2-CB 4.15Å; V11-L170 HydrophobicContact CG2-CD1 3.93Å
12G98.7Very high96.2Very high0 Ų031.3 Ų31.30%016%0.164CC..EExtended strand (participates in β ladder)trans-119.1136.316900000108.8I20 L108 A133 M134G12-I20 VanDerWaalsContact CA-O 3.3Å; G12-I20 WeakPolarHBondContact CA-O 2.91Å; G12-L108 VanDerWaalsContact N-CD1 3.3Å; G12-A133 CarbonylContact O-C 3.49Å; G12-A133 VanDerWaalsContact O-CA 3.23Å; G12-A133 WeakPolarHBondContact O-CA 3.4Å; G12-M134 PolarHBondContact N-O 2.78Å; G12-M134 PolarHBondContact O-N 3.07Å
13I98.6Very high96.7Very high0 Ų023.7 Ų23.70%013%0.131CC..EExtended strand (participates in β ladder)trans-148.7142.7-176.6-168.9176.8000109.1I20 A133 L147 F154 L162 H165I13-I20 HydrophobicContact CG2-CB 3.97Å; I13-I20 PolarHBondContact N-O 3.26Å; I13-I20 PolarHBondContact O-N 2.82Å; I13-A133 HydrophobicContact CB-CB 4.31Å; I13-A133 HydrophobicContact CG1-CB 3.94Å; I13-L147 HydrophobicContact CD1-CD2 4.11Å; I13-F154 HydrophobicContact CD1-CD1 3.68Å; I13-F154 HydrophobicContact CD1-CD2 3.84Å; I13-F154 HydrophobicContact CD1-CE1 3.66Å; I13-F154 HydrophobicContact CD1-CE2 3.82Å; I13-F154 HydrophobicContact CD1-CG 3.78Å; I13-F154 HydrophobicContact CD1-CZ 3.73Å; I13-F154 HydrophobicContact CG1-CD2 3.97Å; I13-F154 HydrophobicContact CG1-CE2 4.22Å; I13-F154 HydrophobicContact CG1-CG 4.13Å; I13-L162 HydrophobicContact CD1-CD1 3.69Å; I13-L162 HydrophobicContact CD1-CG 4.41Å; I13-L162 HydrophobicContact CG1-CD1 3.67Å; I13-L162 HydrophobicContact CG1-CG 4.35Å; I13-L162 HydrophobicContact CG2-CD1 4.29Å; I13-L162 HydrophobicContact CG2-CG 4.02Å; I13-H165 HydrophobicContact CD1-CB 3.87Å
14K98.4Very high97Very high38 Ų3823 Ų2317%0.16512%0.124CC..EExtended strand (participates in β ladder)trans-132.4147176.359.4170.6-173.41720112.8H18 A19 P117 I119 E130 C131 Q132K14-H18 VanDerWaalsContact CA-O 3.26Å; K14-H18 WeakPolarHBondContact CA-O 3.45Å; K14-H18 WeakPolarHBondContact CB-O 3.13Å; K14-A19 HydrophobicContact CB-CB 4.16Å; K14-P117 HydrophobicContact CB-CB 4.23Å; K14-P117 HydrophobicContact CB-CG 4.44Å; K14-P117 HydrophobicContact CD-CB 4.39Å; K14-P117 HydrophobicContact CD-CG 4.41Å; K14-P117 WeakPolarHBondContact CD-O 3.27Å; K14-P117 PolarHBondContact NZ-O 3.22Å; K14-I119 HydrophobicContact CB-CG1 3.89Å; K14-I119 HydrophobicContact CD-CG1 4.35Å; K14-I119 HydrophobicContact CG-CG1 3.96Å; K14-E130 IonicContact NZ-OE1 3.48Å; K14-E130 PolarHBondContact NZ-OE1 3.23Å; K14-C131 WeakPolarHBondContact CE-O 3.26Å; K14-Q132 WeakPolarHBondContact CG-O 3.2Å; K14-Q132 PolarHBondContact N-O 2.76Å
15N98Very high97Very high12 Ų1224.1 Ų24.16%0.06413%0.128CC..  trans-101.8-164.1160.468.212.3000109T17 H18 P117 F154 C157 N159 L162N15-T17 PolarHBondContact O-N 2.83Å; N15-T17 PolarHBondContact OD1-N 3.12Å; N15-T17 PolarHBondContact OD1-OG1 3.26Å; N15-T17 VanDerWaalsContact OD1-OG1 3.09Å; N15-H18 PolarHBondContact N-O 3.35Å; N15-H18 PolarHBondContact OD1-N 3.03Å; N15-H18 PolarHBondContact OD1-O 3.39Å; N15-P117 WeakPolarHBondContact O-CG 3.1Å; N15-F154 VanDerWaalsContact CA-O 3.26Å; N15-F154 WeakPolarHBondContact CA-O 3.43Å; N15-F154 WeakPolarHBondContact CB-O 3.5Å; N15-C157 PolarHBondContact ND2-O 2.97Å; N15-N159 PolarHBondContact ND2-OD1 2.71Å; N15-L162 HydrophobicContact CB-CD1 4.16Å; N15-L162 HydrophobicContact CB-CD2 3.93Å
16Q96.8Very high96.8Very high138 Ų13826.2 Ų26.265%0.64513%0.126SC*.SBendtrans-69.3-15.7177.5-73.6174.57.100114.8P117 A155Q16-P117 VanDerWaalsContact O-CD 3.31Å; Q16-P117 WeakPolarHBondContact O-CD 3.41Å; Q16-A155 VanDerWaalsContact CG-O 3.31Å; Q16-A155 WeakPolarHBondContact CG-O 3.46Å; Q16-A155 PolarHBondContact N-O 3.19Å
17T97.4Very high96.7Very high54 Ų5422.3 Ų22.333%0.33111%0.111SC..SBendtrans-123.1-25.9-169.260.10000114.3N15 F112 G191 K192N15-T17 PolarHBondContact O-N 2.83Å; N15-T17 PolarHBondContact OD1-N 3.12Å; N15-T17 PolarHBondContact OD1-OG1 3.26Å; N15-T17 VanDerWaalsContact OD1-OG1 3.09Å; T17-F112 WeakPolarHBondContact O-CD2 3.4Å; T17-F112 VanDerWaalsContact O-CE2 3.32Å; T17-F112 WeakPolarHBondContact O-CE2 3.43Å; T17-G191 CarbonylContact O-C 3.54Å; T17-G191 WeakPolarHBondContact O-CA 3.39Å; T17-K192 PolarHBondContact O-N 2.9Å
18H98.5Very high96.3Very high15 Ų1526.2 Ų26.27%0.06914%0.135CC..EExtended strand (participates in β ladder)trans-140.4148.2-171.4-66.773.5000111.3K14 N15 N159 V190K14-H18 VanDerWaalsContact CA-O 3.26Å; K14-H18 WeakPolarHBondContact CA-O 3.45Å; K14-H18 WeakPolarHBondContact CB-O 3.13Å; N15-H18 PolarHBondContact N-O 3.35Å; N15-H18 PolarHBondContact OD1-N 3.03Å; N15-H18 PolarHBondContact OD1-O 3.39Å; H18-N159 PolarHBondContact CD2-ND2 3.14Å; H18-N159 PolarHBondContact CE1-ND2 2.92Å; H18-N159 PolarHBondContact ND1-ND2 3.44Å; H18-N159 PolarHBondContact ND1-OD1 3.18Å; H18-N159 VanDerWaalsContact ND1-OD1 3.11Å; H18-N159 PolarHBondContact NE2-ND2 2.84Å; H18-V190 CarbonylContact C-O 3.59Å; H18-V190 WeakPolarHBondContact CA-O 3.29Å; H18-V190 WeakPolarHBondContact CB-O 3.47Å
19A98.7Very high95.9Very high0 Ų029.8 Ų29.80%015%0.153CC..EExtended strand (participates in β ladder)trans-117.2140.7169.900000109.1K14 A110 P117 I119 V190K14-A19 HydrophobicContact CB-CB 4.16Å; A19-A110 HydrophobicContact CB-CB 3.98Å; A19-P117 HydrophobicContact CB-CB 3.97Å; A19-I119 HydrophobicContact CB-CD1 3.79Å; A19-I119 HydrophobicContact CB-CG1 4.27Å; A19-V190 HydrophobicContact CB-CG1 3.93Å; A19-V190 PolarHBondContact N-O 3.48Å; A19-V190 PolarHBondContact O-N 3.32Å
20I98.6Very high95.3Very high0 Ų039.2 Ų39.20%020%0.197CC..EExtended strand (participates in β ladder)trans-130.7137.7-172.8-58.8-178.6000109.1G12 I13 V22 L162 V163 I187 A188 I189G12-I20 VanDerWaalsContact CA-O 3.3Å; G12-I20 WeakPolarHBondContact CA-O 2.91Å; I13-I20 HydrophobicContact CG2-CB 3.97Å; I13-I20 PolarHBondContact N-O 3.26Å; I13-I20 PolarHBondContact O-N 2.82Å; I20-V22 HydrophobicContact CG2-CG2 3.93Å; I20-L162 HydrophobicContact CD1-CB 3.77Å; I20-L162 HydrophobicContact CD1-CD2 3.53Å; I20-L162 HydrophobicContact CD1-CG 3.73Å; I20-L162 HydrophobicContact CG1-CD2 3.87Å; I20-L162 HydrophobicContact CG1-CG 4.42Å; I20-V163 HydrophobicContact CD1-CB 4.4Å; I20-V163 HydrophobicContact CD1-CG2 3.54Å; I20-V163 HydrophobicContact CG2-CG2 4.41Å; I20-I187 HydrophobicContact CG2-CG2 4.3Å; I20-A188 CarbonylContact C-O 3.53Å; I20-A188 WeakPolarHBondContact CA-O 3.31Å; I20-A188 WeakPolarHBondContact CG2-O 3.26Å; I20-I189 HydrophobicContact CD1-CD1 4.47Å; I20-I189 HydrophobicContact CD1-CG1 4.39Å; I20-I189 HydrophobicContact CG1-CG1 4.13Å; I20-I189 HydrophobicContact CG1-CG2 4.22Å; I20-I189 HydrophobicContact CG2-CG1 4.41Å
21L98.8Very high94.8Very high0 Ų047.4 Ų47.40%024%0.239CC..EExtended strand (participates in β ladder)trans-114.8129.9168.9-67.8172.7000109.7V11 I38 L108 A110 I187 A188 F196V11-L21 WeakPolarHBondContact O-CA 3.29Å; L21-I38 HydrophobicContact CB-CD1 4.03Å; L21-L108 HydrophobicContact CD2-CB 3.76Å; L21-A110 HydrophobicContact CD1-CB 3.68Å; L21-A110 HydrophobicContact CD2-CB 4.02Å; L21-A110 HydrophobicContact CG-CB 3.52Å; L21-I187 CarbonylContact O-C 3.59Å; L21-I187 WeakPolarHBondContact O-CA 3.31Å; L21-A188 PolarHBondContact N-O 3.17Å; L21-A188 PolarHBondContact O-N 2.99Å; L21-F196 HydrophobicContact CD1-CE2 4.15Å; L21-F196 HydrophobicContact CD1-CZ 4.04Å
22V98.6Very high94.3Very high0 Ų049.4 Ų49.40%025%0.254CS..EExtended strand (participates in β ladder)trans-122.9134172.4-164.70000108.3T10 V11 I20 L167 L170 T185 A186 I187T10-V22 CarbonylContact C-O 3.6Å; T10-V22 VanDerWaalsContact CA-O 3.26Å; T10-V22 WeakPolarHBondContact CA-O 3.42Å; T10-V22 PolarHBondContact OG1-O 3.31Å; V11-V22 PolarHBondContact N-O 3.43Å; V11-V22 PolarHBondContact O-N 3.08Å; I20-V22 HydrophobicContact CG2-CG2 3.93Å; V22-L167 HydrophobicContact CG1-CD2 3.5Å; V22-L167 VanDerWaalsContact CG1-CD2 3.5Å; V22-L167 HydrophobicContact CG1-CG 4.17Å; V22-L170 HydrophobicContact CB-CD2 4.16Å; V22-L170 HydrophobicContact CG1-CB 4.33Å; V22-L170 HydrophobicContact CG1-CD2 3.35Å; V22-L170 HydrophobicContact CG1-CG 4.41Å; V22-T185 HydrophobicContact CG1-CG2 4.27Å; V22-A186 CarbonylContact C-O 3.44Å; V22-A186 VanDerWaalsContact CA-O 3.31Å; V22-A186 WeakPolarHBondContact CA-O 3.41Å; V22-I187 HydrophobicContact CG1-CG1 4.19Å
23A98.4Very high93.8Very high0 Ų052.3 Ų52.30%028%0.283CS..EExtended strand (participates in β ladder)trans-141.6142-176.100000112.9K25 K37 I38 A186A23-K25 PolarHBondContact O-N 3.08Å; A23-K37 HydrophobicContact CB-CB 4.04Å; A23-K37 HydrophobicContact CB-CD 4.17Å; A23-I38 HydrophobicContact CB-CD1 4.3Å; A23-I38 HydrophobicContact CB-CG1 4.15Å; A23-A186 PolarHBondContact N-O 2.8Å; A23-A186 PolarHBondContact O-N 3.42Å
24V96.4Very high93.5Very high9 Ų956.9 Ų56.96%0.05530%0.301CS..EExtended strand (participates in β ladder)trans-84.4110.7169.5179.30000109.2S8 A9 K37 L170 L174 L180 N184S8-V24 VanDerWaalsContact CB-O 3.24Å; S8-V24 WeakPolarHBondContact CB-O 3.49Å; S8-V24 PolarHBondContact OG-O 3.45Å; A9-V24 PolarHBondContact O-N 3.35Å; A9-V24 VanDerWaalsContact O-N 3.12Å; V24-K37 WeakPolarHBondContact O-CD 3.37Å; V24-L170 HydrophobicContact CG2-CD1 3.79Å; V24-L170 HydrophobicContact CG2-CD2 3.71Å; V24-L170 HydrophobicContact CG2-CG 3.63Å; V24-L174 HydrophobicContact CG1-CD2 4.07Å; V24-L174 HydrophobicContact CG2-CD2 3.69Å; V24-L180 HydrophobicContact CG2-CD2 4.14Å; V24-N184 CarbonylContact C-O 3.49Å; V24-N184 WeakPolarHBondContact CA-O 3.45Å
25K95.1Very high93Very high38 Ų3859.4 Ų59.417%0.16531%0.314CS..  trans-72.8133.9165.9-59.4174.6-82.51750108.8A23 Y34 Q35 V182 K183 N184 T185 A186A23-K25 PolarHBondContact O-N 3.08Å; K25-Y34 HydrophobicContact CB-CD1 3.81Å; K25-Y34 HydrophobicContact CB-CG 4.32Å; K25-Y34 WeakPolarHBondContact O-CD1 3.45Å; K25-Q35 WeakPolarHBondContact CG-O 3.16Å; K25-V182 PolarHBondContact NZ-O 3.48Å; K25-K183 WeakPolarHBondContact CE-O 3.41Å; K25-K183 PolarHBondContact NZ-O 2.89Å; K25-N184 PolarHBondContact N-O 3.36Å; K25-T185 WeakPolarHBondContact CE-O 3.47Å; K25-T185 PolarHBondContact NZ-O 2.9Å; K25-T185 VanDerWaalsContact NZ-O 3.13Å; K25-A186 HydrophobicContact CD-CB 4.19Å; K25-A186 HydrophobicContact CG-CB 4.23Å
26R90.3Very high92.7Very high107 Ų10764 Ų6440%0.40433%0.333SS..  trans-102.9145.2170.5-73.3-175.6-170.9161.310.2109.7E6 Q35 S138E6-R26 PolarHBondContact O-NH1 3.45Å; R26-Q35 PolarHBondContact O-N 2.89Å; R26-S138 VanDerWaalsContact NH2-CB 3.3Å; R26-S138 PolarHBondContact NH2-OG 2.9Å
27S88.9Confident92.6Very high32 Ų3258 Ų5822%0.22431%0.305CS..  trans-113.5136162-172.30000108.3N29 S32S27-N29 VanDerWaalsContact C-N 3.28Å; S27-N29 PolarHBondContact O-N 3.39Å; S27-N29 PolarHBondContact OG-O 3.31Å; S27-S32 WeakPolarHBondContact OG-CB 3.31Å; S27-S32 PolarHBondContact OG-O 3.42Å
28P84.2Confident92.6Very high94 Ų9455.5 Ų55.561%0.6129%0.29SS*.SBendtrans-67.6-28.7178.626.6-34.1000112.9
29N86.7Confident92.6Very high87 Ų8756.4 Ų56.447%0.46529%0.293SS..SBendtrans-155.9168.8175.259.838.9000110.3S27 L31 S32S27-N29 VanDerWaalsContact C-N 3.28Å; S27-N29 PolarHBondContact O-N 3.39Å; S27-N29 PolarHBondContact OG-O 3.31Å; N29-L31 PolarHBondContact O-N 3.27Å; N29-L31 PolarHBondContact OD1-N 2.98Å; N29-S32 PolarHBondContact O-N 3.39Å; N29-S32 VanDerWaalsContact O-N 3.07Å; N29-S32 WeakPolarHBondContact OD1-CB 3.47Å; N29-S32 PolarHBondContact OD1-N 3.2Å; N29-S32 PolarHBondContact OD1-OG 3.05Å
30E83.1Confident92.6Very high199 Ų19959.8 Ų59.893%0.9331%0.313SS*.THydrogen-bonded Turntrans-61.9-27-176.9-62.9-179175.500113.8S32E30-S32 VanDerWaalsContact C-N 3.32Å
31L88.6Confident92.6Very high172 Ų17259.9 Ų59.990%0.90131%0.313SS*.THydrogen-bonded Turntrans-85.5-5.3179.8-58.3179.2000113.2N29N29-L31 PolarHBondContact O-N 3.27Å; N29-L31 PolarHBondContact OD1-N 2.98Å
32S88.6Confident92.5Very high43 Ų4361.9 Ų61.930%0.30132%0.324SS..SBendtrans-100.1149.8-179.7-66.30000111.7S27 N29 E30S27-S32 WeakPolarHBondContact OG-CB 3.31Å; S27-S32 PolarHBondContact OG-O 3.42Å; N29-S32 PolarHBondContact O-N 3.39Å; N29-S32 VanDerWaalsContact O-N 3.07Å; N29-S32 WeakPolarHBondContact OD1-CB 3.47Å; N29-S32 PolarHBondContact OD1-N 3.2Å; N29-S32 PolarHBondContact OD1-OG 3.05Å; E30-S32 VanDerWaalsContact C-N 3.32Å
33G88.2Confident92.5Very high60 Ų6068.5 Ų68.562%0.61936%0.355SS*.PPolyproline II helixtrans-68.2149.5171.200000112.4
34Y90.7Very high92.5Very high97 Ų9769.6 Ų69.638%0.3836%0.36SS..PPolyproline II helixtrans-69.2131.9172-79-90.6000111K25 K36 K183 N184K25-Y34 HydrophobicContact CB-CD1 3.81Å; K25-Y34 HydrophobicContact CB-CG 4.32Å; K25-Y34 WeakPolarHBondContact O-CD1 3.45Å; Y34-K36 PolarHBondContact O-N 3.48Å; Y34-K183 WeakPolarHBondContact CD1-O 3.21Å; Y34-K183 HydrophobicContact CD2-CB 3.93Å; Y34-K183 HydrophobicContact CE2-CB 3.5Å; Y34-K183 HydrophobicContact CE2-CD 4.26Å; Y34-K183 HydrophobicContact CE2-CG 4.46Å; Y34-K183 VanDerWaalsContact CG-O 3.25Å; Y34-N184 HydrophobicContact CD1-CB 4.09Å; Y34-N184 HydrophobicContact CE1-CB 3.45Å; Y34-N184 VanDerWaalsContact CE1-CB 3.45Å
35Q89.3Confident92.6Very high91 Ų9169.1 Ų69.143%0.42536%0.357SS..PPolyproline II helixtrans-73.7128.1-177.4-62.4174.924.500111.3K25 R26 K37K25-Q35 WeakPolarHBondContact CG-O 3.16Å; R26-Q35 PolarHBondContact O-N 2.89Å; Q35-K37 PolarHBondContact O-N 3.47Å
36K92Very high92.7Very high107 Ų10767.3 Ų67.347%0.46535%0.35SS..PPolyproline II helixtrans-62.6132.4173.6-176.2174179.3173.60110.5Y34 I38 Y39Y34-K36 PolarHBondContact O-N 3.48Å; K36-I38 WeakPolarHBondContact CE-O 3.19Å; K36-I38 WeakPolarHBondContact CG-O 3.38Å; K36-Y39 HydrophobicContact CD-CE1 4.29Å; K36-Y39 HydrophobicContact CG-CE2 4.35Å
37K93.7Very high93.1Very high12 Ų1262.2 Ų62.25%0.05233%0.33CS..  trans-118.8-32.6-179.5-72.6-163.169.7-177.20114.9S8 A9 A23 V24 Q35 Y39 S48 I49S8-K37 PolarHBondContact O-NZ 3.34Å; S8-K37 WeakPolarHBondContact OG-CD 3.45Å; S8-K37 VanDerWaalsContact OG-CE 3.29Å; S8-K37 WeakPolarHBondContact OG-CE 3.43Å; S8-K37 PolarHBondContact OG-NZ 3.31Å; A9-K37 PolarHBondContact O-NZ 3.01Å; A23-K37 HydrophobicContact CB-CB 4.04Å; A23-K37 HydrophobicContact CB-CD 4.17Å; V24-K37 WeakPolarHBondContact O-CD 3.37Å; Q35-K37 PolarHBondContact O-N 3.47Å; K37-Y39 WeakPolarHBondContact O-CD2 3.29Å; K37-S48 WeakPolarHBondContact O-CA 3.46Å; K37-I49 WeakPolarHBondContact CE-O 3.38Å; K37-I49 PolarHBondContact NZ-O 3.11Å; K37-I49 PolarHBondContact O-N 3.47Å; K37-I49 VanDerWaalsContact O-N 3.11Å
38I98Very high93.6Very high3 Ų360.7 Ų60.72%0.01532%0.32CS..EExtended strand (participates in β ladder)trans-95.5126.7178.4-57.6177.5000108.2L21 A23 K36 I47 A186 A188 F196 L198L21-I38 HydrophobicContact CB-CD1 4.03Å; A23-I38 HydrophobicContact CB-CD1 4.3Å; A23-I38 HydrophobicContact CB-CG1 4.15Å; K36-I38 WeakPolarHBondContact CE-O 3.19Å; K36-I38 WeakPolarHBondContact CG-O 3.38Å; I38-I47 CarbonylContact C-O 3.6Å; I38-I47 WeakPolarHBondContact CA-O 3.39Å; I38-A186 HydrophobicContact CD1-CB 3.92Å; I38-A186 HydrophobicContact CG1-CB 4.4Å; I38-A188 HydrophobicContact CD1-CB 4Å; I38-A188 HydrophobicContact CG2-CB 3.81Å; I38-F196 HydrophobicContact CG2-CE1 3.81Å; I38-F196 HydrophobicContact CG2-CZ 3.7Å; I38-L198 HydrophobicContact CB-CD1 4.11Å; I38-L198 HydrophobicContact CD1-CD1 4.19Å; I38-L198 HydrophobicContact CG2-CD1 4.28Å
39Y98Very high94.2Very high34 Ų3456.4 Ų56.413%0.13329%0.292CS..EExtended strand (participates in β ladder)trans-120.1123.1-179.7-70.6-98000108.6K36 K37 G46 I47 I49 L53 R57 S60K36-Y39 HydrophobicContact CD-CE1 4.29Å; K36-Y39 HydrophobicContact CG-CE2 4.35Å; K37-Y39 WeakPolarHBondContact O-CD2 3.29Å; Y39-G46 CarbonylContact O-C 3.48Å; Y39-G46 VanDerWaalsContact O-CA 3.25Å; Y39-G46 WeakPolarHBondContact O-CA 3.26Å; Y39-I47 PolarHBondContact N-O 3.24Å; Y39-I47 PolarHBondContact O-N 3.21Å; Y39-I49 HydrophobicContact CD2-CD1 3.54Å; Y39-I49 HydrophobicContact CD2-CG1 4.23Å; Y39-I49 HydrophobicContact CE2-CD1 3.48Å; Y39-I49 VanDerWaalsContact CE2-CD1 3.48Å; Y39-I49 HydrophobicContact CE2-CG1 4.42Å; Y39-I49 HydrophobicContact CG-CD1 4.49Å; Y39-L53 HydrophobicContact CE2-CD1 4.28Å; Y39-R57 HydrophobicContact CE1-CG 4.37Å; Y39-R57 PolarHBondContact OH-NE 2.95Å; Y39-R57 VanDerWaalsContact OH-NE 3.08Å; Y39-S60 WeakPolarHBondContact CB-OG 3.47Å
40V98.1Very high94.7Very high71 Ų7152.3 Ų52.343%0.4327%0.27SS..EExtended strand (participates in β ladder)trans-72127.5170.3-170.70000107.1D42 F196V40-D42 WeakPolarHBondContact CG1-O 3.46Å; V40-F196 HydrophobicContact CB-CD1 4.22Å; V40-F196 HydrophobicContact CG1-CD1 4.01Å; V40-F196 HydrophobicContact CG2-CD1 3.82Å; V40-F196 HydrophobicContact CG2-CE1 4.04Å
41L98.2Very high95.3Very high1 Ų143.8 Ų43.81%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-99.5-41.6175.2-62.7-176.1000110.6V45 I47 S60 L63 H64L41-V45 HydrophobicContact CB-CG1 4.08Å; L41-V45 WeakPolarHBondContact CB-O 3.23Å; L41-V45 HydrophobicContact CD1-CG2 4.28Å; L41-V45 PolarHBondContact N-O 3.4Å; L41-I47 HydrophobicContact CD1-CG2 3.5Å; L41-I47 VanDerWaalsContact CD1-CG2 3.5Å; L41-I47 HydrophobicContact CD2-CD1 4.25Å; L41-I47 HydrophobicContact CD2-CG1 4.31Å; L41-I47 HydrophobicContact CG-CG1 4.44Å; L41-I47 HydrophobicContact CG-CG2 4.07Å; L41-S60 VanDerWaalsContact CD2-O 3.22Å; L41-S60 WeakPolarHBondContact CD2-O 3.48Å; L41-S60 WeakPolarHBondContact CD2-OG 3.42Å; L41-L63 HydrophobicContact CD1-CB 3.53Å; L41-L63 HydrophobicContact CD1-CD1 3.84Å; L41-L63 HydrophobicContact CD1-CG 4.32Å; L41-L63 HydrophobicContact CD2-CB 4.19Å; L41-L63 HydrophobicContact CG-CB 4.46Å; L41-H64 HydrophobicContact CD2-CB 4.32Å; L41-H64 PolarHBondContact O-ND1 2.87Å
42D98Very high95.5Very high42 Ų4239.1 Ų39.123%0.22521%0.211CC..EExtended strand (participates in β ladder)trans-155.9-179.1176.8-154.5-11.2000109.3V40 H44 V45 C67V40-D42 WeakPolarHBondContact CG1-O 3.46Å; D42-H44 PolarHBondContact O-N 2.82Å; D42-H44 IonicContact OD2-CE1 3.7Å; D42-H44 IonicContact OD2-ND1 3.68Å; D42-V45 HydrophobicContact CB-CG1 3.81Å; D42-V45 PolarHBondContact N-O 2.89Å; D42-V45 PolarHBondContact O-N 3.18Å; D42-V45 VanDerWaalsContact O-O 3.05Å; D42-C67 HydrophobicContact CB-CB 4.03Å; D42-C67 WeakPolarHBondContact OD2-CB 3.46Å
43E97.5Very high95.7Very high140 Ų14038.5 Ų38.565%0.65420%0.204SC*.THydrogen-bonded Turntrans-58.8-28.4178.2-66.6-168177.500113.1S195 F196E43-S195 CarbonylContact O-C 3.53Å; E43-S195 WeakPolarHBondContact O-CA 3.29Å; E43-S195 VanDerWaalsContact O-CB 3.27Å; E43-S195 WeakPolarHBondContact O-CB 3.26Å; E43-F196 PolarHBondContact O-N 2.95Å
44H98.3Very high95.9Very high22 Ų2239.3 Ų39.310%0.10220%0.2CC..THydrogen-bonded Turntrans-111.62.9-175.570-61.4000113.7D42 I78 G111 F112D42-H44 PolarHBondContact O-N 2.82Å; D42-H44 IonicContact OD2-CE1 3.7Å; D42-H44 IonicContact OD2-ND1 3.68Å; H44-I78 PolarHBondContact NE2-O 2.94Å; H44-G111 CarbonylContact O-C 3.56Å; H44-G111 WeakPolarHBondContact O-CA 3.02Å; H44-F112 WeakPolarHBondContact CB-O 3.24Å; H44-F112 PolarHBondContact CD2-O 3.27Å; H44-F112 PolarHBondContact O-N 3.45Å
45V98.7Very high96.2Very high0 Ų035.2 Ų35.20%019%0.185CC..EExtended strand (participates in β ladder)trans-152.2142.6-174.757.80000113.7L41 D42 I80 L83 V109 A110L41-V45 HydrophobicContact CB-CG1 4.08Å; L41-V45 WeakPolarHBondContact CB-O 3.23Å; L41-V45 HydrophobicContact CD1-CG2 4.28Å; L41-V45 PolarHBondContact N-O 3.4Å; D42-V45 HydrophobicContact CB-CG1 3.81Å; D42-V45 PolarHBondContact N-O 2.89Å; D42-V45 PolarHBondContact O-N 3.18Å; D42-V45 VanDerWaalsContact O-O 3.05Å; V45-I80 HydrophobicContact CB-CD1 3.9Å; V45-I80 HydrophobicContact CG2-CD1 3.96Å; V45-L83 HydrophobicContact CG1-CD2 4.24Å; V45-L83 HydrophobicContact CG2-CD2 4.03Å; V45-V109 HydrophobicContact CG2-CG1 3.66Å; V45-A110 WeakPolarHBondContact CA-O 3.36Å
46G98.7Very high96.5Very high0 Ų030.9 Ų30.90%016%0.164CC..EExtended strand (participates in β ladder)trans-152.2168.6171.500000112Y39 A110Y39-G46 CarbonylContact O-C 3.48Å; Y39-G46 VanDerWaalsContact O-CA 3.25Å; Y39-G46 WeakPolarHBondContact O-CA 3.26Å; G46-A110 PolarHBondContact N-O 2.84Å; G46-A110 PolarHBondContact O-N 2.93Å; G46-A110 VanDerWaalsContact O-O 3.1Å
47I98.5Very high96.7Very high0 Ų031.1 Ų31.10%016%0.162CC..EExtended strand (participates in β ladder)trans-129.8151.7-174.466.4174.5000111.9I38 Y39 L41 I49 L63 L107 L108 V109I38-I47 CarbonylContact C-O 3.6Å; I38-I47 WeakPolarHBondContact CA-O 3.39Å; Y39-I47 PolarHBondContact N-O 3.24Å; Y39-I47 PolarHBondContact O-N 3.21Å; L41-I47 HydrophobicContact CD1-CG2 3.5Å; L41-I47 VanDerWaalsContact CD1-CG2 3.5Å; L41-I47 HydrophobicContact CD2-CD1 4.25Å; L41-I47 HydrophobicContact CD2-CG1 4.31Å; L41-I47 HydrophobicContact CG-CG1 4.44Å; L41-I47 HydrophobicContact CG-CG2 4.07Å; I47-I49 HydrophobicContact CD1-CG1 4.39Å; I47-L63 HydrophobicContact CG2-CD1 4.34Å; I47-L107 HydrophobicContact CD1-CD1 4.18Å; I47-L107 HydrophobicContact CD1-CD2 4.2Å; I47-L108 CarbonylContact C-O 3.48Å; I47-L108 VanDerWaalsContact CA-O 3.26Å; I47-L108 WeakPolarHBondContact CA-O 3.1Å; I47-V109 HydrophobicContact CG2-CB 4.19Å; I47-V109 HydrophobicContact CG2-CG1 4.03Å; I47-V109 HydrophobicContact CG2-CG2 3.78Å
48S98.5Very high96.8Very high0 Ų034.6 Ų34.60%018%0.181CC..EExtended strand (participates in β ladder)trans-116.7136.4166.1-1760000110.3T10 K37 L107 L108T10-S48 WeakPolarHBondContact CB-OG 3.34Å; T10-S48 WeakPolarHBondContact CG2-OG 3.39Å; T10-S48 VanDerWaalsContact OG1-CB 3.3Å; T10-S48 WeakPolarHBondContact OG1-CB 3.45Å; T10-S48 PolarHBondContact OG1-OG 3.2Å; K37-S48 WeakPolarHBondContact O-CA 3.46Å; S48-L107 WeakPolarHBondContact O-CA 3.37Å; S48-L108 PolarHBondContact N-O 3.37Å; S48-L108 PolarHBondContact O-N 2.77Å
49I97.2Very high96.8Very high4 Ų434.5 Ų34.52%0.02118%0.181CC..EExtended strand (participates in β ladder)trans-104.1134.5-172.2-62.6173.3000110.9K37 Y39 I47 L53 V105 L107K37-I49 WeakPolarHBondContact CE-O 3.38Å; K37-I49 PolarHBondContact NZ-O 3.11Å; K37-I49 PolarHBondContact O-N 3.47Å; K37-I49 VanDerWaalsContact O-N 3.11Å; Y39-I49 HydrophobicContact CD2-CD1 3.54Å; Y39-I49 HydrophobicContact CD2-CG1 4.23Å; Y39-I49 HydrophobicContact CE2-CD1 3.48Å; Y39-I49 VanDerWaalsContact CE2-CD1 3.48Å; Y39-I49 HydrophobicContact CE2-CG1 4.42Å; Y39-I49 HydrophobicContact CG-CD1 4.49Å; I47-I49 HydrophobicContact CD1-CG1 4.39Å; I49-L53 HydrophobicContact CB-CD1 4.33Å; I49-L53 HydrophobicContact CD1-CD1 3.93Å; I49-L53 HydrophobicContact CG2-CD1 4.02Å; I49-V105 HydrophobicContact CG2-CG2 3.38Å; I49-L107 HydrophobicContact CB-CD2 4.33Å; I49-L107 HydrophobicContact CG1-CD2 3.7Å; I49-L107 HydrophobicContact CG2-CD2 4.48Å
50A96.5Very high96.8Very high1 Ų133.4 Ų33.41%0.00818%0.178CC..EExtended strand (participates in β ladder)trans-129.7127.9164.600000111.5V4 T10 V105 G106 I136V4-A50 HydrophobicContact CG1-CB 3.99Å; T10-A50 HydrophobicContact CG2-CB 4.45Å; A50-V105 WeakPolarHBondContact O-CA 3.32Å; A50-V105 WeakPolarHBondContact O-CG2 3.09Å; A50-G106 PolarHBondContact N-O 3.49Å; A50-G106 PolarHBondContact O-N 2.72Å; A50-I136 HydrophobicContact CB-CD1 3.79Å; A50-I136 HydrophobicContact CB-CG1 3.74Å
51G95.2Very high96.8Very high20 Ų2038.8 Ų38.821%0.20619%0.191CC..EExtended strand (participates in β ladder)trans113-140-179.200000112.3A3 L53A3-G51 WeakPolarHBondContact O-CA 3.39Å; G51-L53 PolarHBondContact O-N 3.34Å
52L94.2Very high96.9Very high73 Ų7340.5 Ų40.538%0.38220%0.198SC..  trans-66.6105.6-179.3-64.1-175.8000110.9A3 S54 D55 G56 G104A3-L52 HydrophobicContact CB-CG 4.38Å; L52-S54 PolarHBondContact O-N 3.33Å; L52-D55 HydrophobicContact CB-CB 4.23Å; L52-D55 PolarHBondContact O-N 2.85Å; L52-G56 PolarHBondContact O-N 3.25Å; L52-G104 WeakPolarHBondContact CB-O 3.5Å; L52-G104 PolarHBondContact N-O 2.93Å
53L91.9Very high96.9Very high31 Ų3138.5 Ų38.516%0.16219%0.187CC..Hα-helixtrans-63.8-28.8-176.3-172.857.8000113.1Y39 I49 G51 G56 R57Y39-L53 HydrophobicContact CE2-CD1 4.28Å; I49-L53 HydrophobicContact CB-CD1 4.33Å; I49-L53 HydrophobicContact CD1-CD1 3.93Å; I49-L53 HydrophobicContact CG2-CD1 4.02Å; G51-L53 PolarHBondContact O-N 3.34Å; L53-G56 PolarHBondContact O-N 3.31Å; L53-R57 VanDerWaalsContact O-CG 3.3Å; L53-R57 WeakPolarHBondContact O-CG 3.33Å; L53-R57 PolarHBondContact O-N 3.32Å
54S93.3Very high96.9Very high76 Ų7635.5 Ų35.553%0.53117%0.173SC..Hα-helixtrans-61.1-49.4173.947.40000111.8L52 G56 R57 L58L52-S54 PolarHBondContact O-N 3.33Å; S54-G56 VanDerWaalsContact C-N 3.35Å; S54-R57 PolarHBondContact O-N 3.06Å; S54-L58 PolarHBondContact O-N 2.73Å; S54-L58 VanDerWaalsContact O-N 3.14Å
55D95.9Very high97Very high11 Ų1138.4 Ų38.46%0.05919%0.19CC..Hα-helixtrans-63.9-42.6176.4-75.46.9000110.8L52 R57 L58 L59 R101 F103 G104 V105L52-D55 HydrophobicContact CB-CB 4.23Å; L52-D55 PolarHBondContact O-N 2.85Å; D55-R57 VanDerWaalsContact C-N 3.34Å; D55-R57 PolarHBondContact O-N 2.68Å; D55-L58 WeakPolarHBondContact O-CB 3.03Å; D55-L58 PolarHBondContact O-N 3.09Å; D55-L58 VanDerWaalsContact O-N 3.16Å; D55-L59 PolarHBondContact O-N 3.49Å; D55-R101 IonicContact OD1-CZ 3.63Å; D55-R101 IonicContact OD1-NH1 3.84Å; D55-R101 IonicContact OD1-NH2 2.79Å; D55-R101 PolarHBondContact OD1-NH2 3.04Å; D55-R101 IonicContact OD2-CZ 3.55Å; D55-R101 IonicContact OD2-NH1 3.58Å; D55-R101 PolarHBondContact OD2-NH1 2.85Å; D55-R101 IonicContact OD2-NH2 3.46Å; D55-R101 PolarHBondContact OD2-NH2 3.03Å; D55-F103 HydrophobicContact CB-CD1 4.07Å; D55-G104 PolarHBondContact OD2-N 2.83Å; D55-V105 HydrophobicContact CB-CB 4.16Å; D55-V105 HydrophobicContact CB-CG1 4.02Å
56G96.2Very high96.9Very high0 Ų040.6 Ų40.60%020%0.2CC..Hα-helixtrans-61.5-38.7177.200000113.3L52 L53 S54 L59 S60L52-G56 PolarHBondContact O-N 3.25Å; L53-G56 PolarHBondContact O-N 3.31Å; S54-G56 VanDerWaalsContact C-N 3.35Å; G56-L59 PolarHBondContact O-N 3.41Å; G56-S60 WeakPolarHBondContact O-CB 3.41Å; G56-S60 PolarHBondContact O-N 2.89Å
57R96Very high96.9Very high112 Ų11240.6 Ų40.642%0.42320%0.2SC..Hα-helixtrans-67.8-34.8174.5-74.5173.2-173.3150-4.9112.6Y39 L53 S54 D55 S60 R61Y39-R57 HydrophobicContact CE1-CG 4.37Å; Y39-R57 PolarHBondContact OH-NE 2.95Å; Y39-R57 VanDerWaalsContact OH-NE 3.08Å; L53-R57 VanDerWaalsContact O-CG 3.3Å; L53-R57 WeakPolarHBondContact O-CG 3.33Å; L53-R57 PolarHBondContact O-N 3.32Å; S54-R57 PolarHBondContact O-N 3.06Å; D55-R57 VanDerWaalsContact C-N 3.34Å; D55-R57 PolarHBondContact O-N 2.68Å; R57-S60 PolarHBondContact O-N 3.46Å; R57-R61 WeakPolarHBondContact O-CG 3.26Å; R57-R61 PolarHBondContact O-N 3.35Å
58L96.9Very high96.9Very high86 Ų8644.5 Ų44.545%0.4522%0.22SC..Hα-helixtrans-63.2-47.1174.5-172.5151000110.4S54 D55 R61 F62 F103S54-L58 PolarHBondContact O-N 2.73Å; S54-L58 VanDerWaalsContact O-N 3.14Å; D55-L58 WeakPolarHBondContact O-CB 3.03Å; D55-L58 PolarHBondContact O-N 3.09Å; D55-L58 VanDerWaalsContact O-N 3.16Å; L58-R61 PolarHBondContact O-N 3.11Å; L58-F62 WeakPolarHBondContact O-CB 3.46Å; L58-F62 PolarHBondContact O-N 3.09Å; L58-F103 HydrophobicContact CD2-CE1 3.83Å; L58-F103 HydrophobicContact CD2-CZ 4.2Å
59L97.9Very high96.9Very high0 Ų048.6 Ų48.60%024%0.242CC..Hα-helixtrans-66.6-38.9176.7-66.1177.2000111.8D55 G56 R61 F62 L63 L87 K90 M91 F103 V105 L107D55-L59 PolarHBondContact O-N 3.49Å; G56-L59 PolarHBondContact O-N 3.41Å; L59-R61 PolarHBondContact O-N 3.12Å; L59-F62 WeakPolarHBondContact O-CB 3.45Å; L59-F62 PolarHBondContact O-N 3.22Å; L59-L63 VanDerWaalsContact O-CG 3.31Å; L59-L63 WeakPolarHBondContact O-CG 3.27Å; L59-L63 PolarHBondContact O-N 3.46Å; L59-L87 HydrophobicContact CB-CD1 4.43Å; L59-L87 HydrophobicContact CD1-CD1 4.4Å; L59-L87 HydrophobicContact CD2-CD1 4.12Å; L59-K90 HydrophobicContact CD2-CG 4.12Å; L59-M91 HydrophobicContact CD1-CE 4.32Å; L59-M91 HydrophobicContact CD1-CG 4.14Å; L59-M91 HydrophobicContact CD1-SD 4.07Å; L59-M91 HydrophobicContact CD2-CG 4.23Å; L59-F103 HydrophobicContact CD1-CB 4.23Å; L59-F103 HydrophobicContact CD1-CD1 4.04Å; L59-F103 HydrophobicContact CD1-CG 4.02Å; L59-F103 HydrophobicContact CD2-CD1 4.13Å; L59-F103 HydrophobicContact CD2-CD2 4.4Å; L59-F103 HydrophobicContact CD2-CE1 3.83Å; L59-F103 HydrophobicContact CD2-CE2 4.13Å; L59-F103 HydrophobicContact CD2-CG 4.4Å; L59-F103 HydrophobicContact CD2-CZ 3.83Å; L59-F103 HydrophobicContact CG-CD1 4.03Å; L59-F103 HydrophobicContact CG-CE1 4.11Å; L59-F103 HydrophobicContact CG-CG 4.43Å; L59-V105 HydrophobicContact CD1-CG1 3.65Å; L59-L107 HydrophobicContact CB-CD1 4.05Å; L59-L107 HydrophobicContact CD1-CD1 4.15Å
60S97.9Very high97Very high11 Ų1150.8 Ų50.88%0.07725%0.25CC..Hα-helixtrans-57.3-47.2174.1-173.10000112Y39 L41 G56 R57 L63 H64Y39-S60 WeakPolarHBondContact CB-OG 3.47Å; L41-S60 VanDerWaalsContact CD2-O 3.22Å; L41-S60 WeakPolarHBondContact CD2-O 3.48Å; L41-S60 WeakPolarHBondContact CD2-OG 3.42Å; G56-S60 WeakPolarHBondContact O-CB 3.41Å; G56-S60 PolarHBondContact O-N 2.89Å; R57-S60 PolarHBondContact O-N 3.46Å; S60-L63 PolarHBondContact O-N 3.25Å; S60-H64 WeakPolarHBondContact O-CB 3.19Å; S60-H64 PolarHBondContact O-N 2.95Å
61R98.3Very high97Very high185 Ų18554.2 Ų54.270%0.69827%0.265SS*.Hα-helixtrans-66.2-39.9177.7-76177.2177.5169.3-2.1112R57 L58 L59 H64 N65R57-R61 WeakPolarHBondContact O-CG 3.26Å; R57-R61 PolarHBondContact O-N 3.35Å; L58-R61 PolarHBondContact O-N 3.11Å; L59-R61 PolarHBondContact O-N 3.12Å; R61-H64 PolarHBondContact O-N 3.32Å; R61-N65 PolarHBondContact O-N 2.93Å; R61-N65 PolarHBondContact O-OD1 2.91Å
62F98.6Very high97.1Very high36 Ų3663 Ų6316%0.15829%0.293CS..Hα-helixtrans-57.7-52.1174.7168.8-105.8000110.9L58 L59 H64 N65 E66 E86 K90L58-F62 WeakPolarHBondContact O-CB 3.46Å; L58-F62 PolarHBondContact O-N 3.09Å; L59-F62 WeakPolarHBondContact O-CB 3.45Å; L59-F62 PolarHBondContact O-N 3.22Å; F62-H64 PolarHBondContact O-N 3.33Å; F62-N65 WeakPolarHBondContact O-CB 3.32Å; F62-N65 PolarHBondContact O-N 3.47Å; F62-N65 VanDerWaalsContact O-N 3.17Å; F62-E66 HydrophobicContact CD2-CG 4.44Å; F62-E66 HydrophobicContact CE1-CG 4.16Å; F62-E66 HydrophobicContact CE2-CG 3.96Å; F62-E66 WeakPolarHBondContact CE2-OE1 3.17Å; F62-E66 HydrophobicContact CZ-CG 3.8Å; F62-E66 WeakPolarHBondContact O-CG 3.49Å; F62-E66 PolarHBondContact O-N 3.13Å; F62-E86 HydrophobicContact CE1-CB 4.39Å; F62-E86 HydrophobicContact CZ-CB 4.28Å; F62-K90 HydrophobicContact CD1-CB 4.12Å; F62-K90 HydrophobicContact CD1-CG 3.89Å; F62-K90 HydrophobicContact CD2-CD 4.25Å; F62-K90 HydrophobicContact CD2-CG 4.46Å; F62-K90 HydrophobicContact CE1-CB 3.58Å; F62-K90 HydrophobicContact CE1-CD 4.42Å; F62-K90 HydrophobicContact CE1-CG 3.83Å; F62-K90 HydrophobicContact CE2-CD 4.13Å; F62-K90 HydrophobicContact CE2-CG 4.42Å; F62-K90 HydrophobicContact CG-CD 4.44Å; F62-K90 HydrophobicContact CG-CG 4.21Å; F62-K90 HydrophobicContact CZ-CB 3.85Å; F62-K90 HydrophobicContact CZ-CD 4.22Å; F62-K90 HydrophobicContact CZ-CG 4.11Å
63L98.6Very high97.3Very high0 Ų064.1 Ų64.10%030%0.302CS..Hα-helixtrans-64.8-39.6-179.7-63.4167.2000112.9L41 I47 L59 S60 N65 E66 C67 L83 L87 L107L41-L63 HydrophobicContact CD1-CB 3.53Å; L41-L63 HydrophobicContact CD1-CD1 3.84Å; L41-L63 HydrophobicContact CD1-CG 4.32Å; L41-L63 HydrophobicContact CD2-CB 4.19Å; L41-L63 HydrophobicContact CG-CB 4.46Å; I47-L63 HydrophobicContact CG2-CD1 4.34Å; L59-L63 VanDerWaalsContact O-CG 3.31Å; L59-L63 WeakPolarHBondContact O-CG 3.27Å; L59-L63 PolarHBondContact O-N 3.46Å; S60-L63 PolarHBondContact O-N 3.25Å; L63-N65 VanDerWaalsContact C-N 3.28Å; L63-N65 PolarHBondContact O-N 3.07Å; L63-E66 PolarHBondContact O-N 3.4Å; L63-C67 PolarHBondContact O-N 2.97Å; L63-C67 PolarHBondContact O-SG 3.39Å; L63-C67 VanDerWaalsContact O-SG 3.33Å; L63-L83 HydrophobicContact CB-CD1 4.33Å; L63-L83 HydrophobicContact CD2-CD1 3.75Å; L63-L83 HydrophobicContact CD2-CG 3.96Å; L63-L87 HydrophobicContact CD1-CD1 4.09Å; L63-L87 HydrophobicContact CD1-CD2 3.92Å; L63-L87 HydrophobicContact CD2-CB 3.78Å; L63-L87 HydrophobicContact CD2-CD1 4.06Å; L63-L87 HydrophobicContact CD2-CD2 4.22Å; L63-L87 HydrophobicContact CD2-CG 4.23Å; L63-L87 HydrophobicContact CG-CD1 4.27Å; L63-L107 HydrophobicContact CD1-CD1 4.32Å
64H98.6Very high97.6Very high77 Ų7767.9 Ų67.936%0.35632%0.318SS..Hα-helixtrans-58.2-42.7174.1179.859.7000111.6L41 S60 R61 F62 C67 I68L41-H64 HydrophobicContact CD2-CB 4.32Å; L41-H64 PolarHBondContact O-ND1 2.87Å; S60-H64 WeakPolarHBondContact O-CB 3.19Å; S60-H64 PolarHBondContact O-N 2.95Å; R61-H64 PolarHBondContact O-N 3.32Å; F62-H64 PolarHBondContact O-N 3.33Å; H64-C67 PolarHBondContact O-N 3.14Å; H64-I68 VanDerWaalsContact NE2-CD1 3.33Å; H64-I68 WeakPolarHBondContact NE2-CD1 3.37Å; H64-I68 WeakPolarHBondContact O-CG1 3.49Å; H64-I68 PolarHBondContact O-N 2.84Å
65N98.6Very high97.8Very high84 Ų8470.7 Ų70.745%0.44932%0.322SS..Hα-helixtrans-66.4-38.4175.9-68.2-9.7000112R61 F62 L63 C67 I68 N69R61-N65 PolarHBondContact O-N 2.93Å; R61-N65 PolarHBondContact O-OD1 2.91Å; F62-N65 WeakPolarHBondContact O-CB 3.32Å; F62-N65 PolarHBondContact O-N 3.47Å; F62-N65 VanDerWaalsContact O-N 3.17Å; L63-N65 VanDerWaalsContact C-N 3.28Å; L63-N65 PolarHBondContact O-N 3.07Å; N65-C67 VanDerWaalsContact C-N 3.33Å; N65-C67 PolarHBondContact O-N 3.07Å; N65-I68 PolarHBondContact O-N 3.33Å; N65-N69 VanDerWaalsContact O-CB 3.26Å; N65-N69 WeakPolarHBondContact O-CB 3.32Å; N65-N69 PolarHBondContact O-N 3.02Å; N65-N69 PolarHBondContact O-ND2 3.05Å
66E98.5Very high97.8Very high45 Ų4573.4 Ų73.421%0.2134%0.335CS..Hα-helixtrans-60.8-42.1173.9-66.8-52.4128.800111.5F62 L63 N69 W70 L83 E86F62-E66 HydrophobicContact CD2-CG 4.44Å; F62-E66 HydrophobicContact CE1-CG 4.16Å; F62-E66 HydrophobicContact CE2-CG 3.96Å; F62-E66 WeakPolarHBondContact CE2-OE1 3.17Å; F62-E66 HydrophobicContact CZ-CG 3.8Å; F62-E66 WeakPolarHBondContact O-CG 3.49Å; F62-E66 PolarHBondContact O-N 3.13Å; L63-E66 PolarHBondContact O-N 3.4Å; E66-N69 PolarHBondContact O-N 3.3Å; E66-W70 VanDerWaalsContact O-CB 3.29Å; E66-W70 WeakPolarHBondContact O-CB 3.48Å; E66-W70 PolarHBondContact O-N 3.33Å; E66-L83 HydrophobicContact CB-CD1 3.91Å; E66-E86 HydrophobicContact CG-CB 4.36Å
67C98.5Very high97.8Very high0 Ų076.8 Ų76.80%036%0.357CS..Hα-helixtrans-60.5-50.9174.3-64.20000111.9D42 L63 H64 N65 N69 W70 Q71 I78D42-C67 HydrophobicContact CB-CB 4.03Å; D42-C67 WeakPolarHBondContact OD2-CB 3.46Å; L63-C67 PolarHBondContact O-N 2.97Å; L63-C67 PolarHBondContact O-SG 3.39Å; L63-C67 VanDerWaalsContact O-SG 3.33Å; H64-C67 PolarHBondContact O-N 3.14Å; N65-C67 VanDerWaalsContact C-N 3.33Å; N65-C67 PolarHBondContact O-N 3.07Å; C67-N69 PolarHBondContact O-N 2.62Å; C67-W70 PolarHBondContact O-N 3.37Å; C67-Q71 WeakPolarHBondContact O-CB 3.49Å; C67-Q71 PolarHBondContact O-N 3.26Å; C67-I78 HydrophobicContact CB-CG2 4.29Å
68I98.3Very high97.9Very high83 Ų8371.5 Ų71.543%0.42634%0.337SS..Hα-helixtrans-60.5-45.5179.4-69.2169.4000111.2H64 N65 W70 Q71 W72H64-I68 VanDerWaalsContact NE2-CD1 3.33Å; H64-I68 WeakPolarHBondContact NE2-CD1 3.37Å; H64-I68 WeakPolarHBondContact O-CG1 3.49Å; H64-I68 PolarHBondContact O-N 2.84Å; N65-I68 PolarHBondContact O-N 3.33Å; I68-W70 VanDerWaalsContact C-N 3.33Å; I68-W70 PolarHBondContact O-N 2.97Å; I68-Q71 PolarHBondContact O-N 3.45Å; I68-W72 WeakPolarHBondContact O-CB 3.36Å; I68-W72 PolarHBondContact O-N 3.27Å
69N98.3Very high97.9Very high86 Ų8672.1 Ų72.146%0.4633%0.333SS..Hα-helixtrans-63.1-42.6-179.6-71.6-21.1000111N65 E66 C67 W72 V73N65-N69 VanDerWaalsContact O-CB 3.26Å; N65-N69 WeakPolarHBondContact O-CB 3.32Å; N65-N69 PolarHBondContact O-N 3.02Å; N65-N69 PolarHBondContact O-ND2 3.05Å; E66-N69 PolarHBondContact O-N 3.3Å; C67-N69 PolarHBondContact O-N 2.62Å; N69-W72 PolarHBondContact O-N 3.4Å; N69-V73 VanDerWaalsContact O-CG2 3.32Å; N69-V73 WeakPolarHBondContact O-CG2 3.19Å; N69-V73 PolarHBondContact O-N 3.3Å
70W98.4Very high98Very high50 Ų5072.1 Ų72.119%0.18933%0.333CS..Hα-helixtrans-64.1-48.1177.7-168.1-79.6000111.4E66 C67 I68 W72 V73 F74 I78 K82E66-W70 VanDerWaalsContact O-CB 3.29Å; E66-W70 WeakPolarHBondContact O-CB 3.48Å; E66-W70 PolarHBondContact O-N 3.33Å; C67-W70 PolarHBondContact O-N 3.37Å; I68-W70 VanDerWaalsContact C-N 3.33Å; I68-W70 PolarHBondContact O-N 2.97Å; W70-W72 VanDerWaalsContact C-N 3.27Å; W70-W72 PolarHBondContact O-N 3.34Å; W70-V73 PolarHBondContact O-N 2.83Å; W70-F74 AromaticContact CD1-CD2 3.92Å; W70-F74 AromaticContact CD2-CD2 3.53Å; W70-F74 HydrophobicContact CD2-CD2 3.53Å; W70-F74 AromaticContact CD2-CE2 3.8Å; W70-F74 HydrophobicContact CD2-CE2 3.8Å; W70-F74 AromaticContact CE2-CD2 3.48Å; W70-F74 VanDerWaalsContact CE2-CD2 3.48Å; W70-F74 AromaticContact CE2-CE2 3.92Å; W70-F74 AromaticContact CE3-CD2 3.98Å; W70-F74 HydrophobicContact CE3-CD2 3.98Å; W70-F74 AromaticContact CE3-CE2 3.74Å; W70-F74 HydrophobicContact CE3-CE2 3.74Å; W70-F74 AromaticContact CG-CD2 3.83Å; W70-F74 HydrophobicContact CG-CD2 3.83Å; W70-F74 HydrophobicContact CG-CE2 4.46Å; W70-F74 HydrophobicContact CH2-CD2 4.31Å; W70-F74 AromaticContact CH2-CE2 3.93Å; W70-F74 HydrophobicContact CH2-CE2 3.93Å; W70-F74 AromaticContact CZ2-CD2 3.91Å; W70-F74 HydrophobicContact CZ2-CD2 3.91Å; W70-F74 HydrophobicContact CZ2-CE2 4Å; W70-F74 HydrophobicContact CZ3-CD2 4.34Å; W70-F74 AromaticContact CZ3-CE2 3.8Å; W70-F74 HydrophobicContact CZ3-CE2 3.8Å; W70-F74 AromaticContact NE1-CD2 3.72Å; W70-F74 PolarHBondContact O-N 2.83Å; W70-I78 HydrophobicContact CB-CB 3.84Å; W70-I78 HydrophobicContact CB-CD1 4.17Å; W70-I78 HydrophobicContact CB-CG1 4.3Å; W70-I78 HydrophobicContact CD2-CB 4Å; W70-I78 HydrophobicContact CD2-CD1 3.94Å; W70-I78 HydrophobicContact CD2-CG1 3.72Å; W70-I78 HydrophobicContact CE3-CD1 3.78Å; W70-I78 HydrophobicContact CE3-CG1 3.99Å; W70-I78 HydrophobicContact CG-CB 3.56Å; W70-I78 HydrophobicContact CG-CD1 4.12Å; W70-I78 HydrophobicContact CG-CG1 3.84Å; W70-K82 HydrophobicContact CE3-CG 4.36Å; W70-K82 HydrophobicContact CH2-CG 3.88Å; W70-K82 HydrophobicContact CZ3-CD 4.28Å; W70-K82 HydrophobicContact CZ3-CG 3.73Å
71Q97.3Very high97.9Very high72 Ų7275.2 Ų75.234%0.33636%0.355SS..Hα-helixtrans-59-38.8175.5-176.164.730.500111.5C67 I68 Q75 E76 P77C67-Q71 WeakPolarHBondContact O-CB 3.49Å; C67-Q71 PolarHBondContact O-N 3.26Å; I68-Q71 PolarHBondContact O-N 3.45Å; Q71-Q75 WeakPolarHBondContact O-CA 3.26Å; Q71-Q75 PolarHBondContact O-N 2.96Å; Q71-Q75 PolarHBondContact O-NE2 2.8Å; Q71-E76 PolarHBondContact OE1-O 3Å; Q71-P77 VanDerWaalsContact OE1-N 3.12Å
72W97.4Very high97.9Very high206 Ų20669.8 Ų69.878%0.7834%0.336SS*.Hα-helixtrans-65.9-44.9177.5177.4-99.8000112.7I68 N69 W70 Q75I68-W72 WeakPolarHBondContact O-CB 3.36Å; I68-W72 PolarHBondContact O-N 3.27Å; N69-W72 PolarHBondContact O-N 3.4Å; W70-W72 VanDerWaalsContact C-N 3.27Å; W70-W72 PolarHBondContact O-N 3.34Å; W72-Q75 PolarHBondContact O-NE2 3.37Å
73V98.2Very high97.9Very high96 Ų9668.1 Ų68.158%0.58233%0.329SS*.Hα-helixtrans-77.7-44.7-175.31740000112N69 W70N69-V73 VanDerWaalsContact O-CG2 3.32Å; N69-V73 WeakPolarHBondContact O-CG2 3.19Å; N69-V73 PolarHBondContact O-N 3.3Å; W70-V73 PolarHBondContact O-N 2.83Å
74F97.6Very high97.8Very high110 Ų11068.6 Ų68.648%0.48233%0.331SS..Hα-helixtrans-106.2-9.2-170.9-58.5-70.6000113.7W70 E76W70-F74 AromaticContact CD1-CD2 3.92Å; W70-F74 AromaticContact CD2-CD2 3.53Å; W70-F74 HydrophobicContact CD2-CD2 3.53Å; W70-F74 AromaticContact CD2-CE2 3.8Å; W70-F74 HydrophobicContact CD2-CE2 3.8Å; W70-F74 AromaticContact CE2-CD2 3.48Å; W70-F74 VanDerWaalsContact CE2-CD2 3.48Å; W70-F74 AromaticContact CE2-CE2 3.92Å; W70-F74 AromaticContact CE3-CD2 3.98Å; W70-F74 HydrophobicContact CE3-CD2 3.98Å; W70-F74 AromaticContact CE3-CE2 3.74Å; W70-F74 HydrophobicContact CE3-CE2 3.74Å; W70-F74 AromaticContact CG-CD2 3.83Å; W70-F74 HydrophobicContact CG-CD2 3.83Å; W70-F74 HydrophobicContact CG-CE2 4.46Å; W70-F74 HydrophobicContact CH2-CD2 4.31Å; W70-F74 AromaticContact CH2-CE2 3.93Å; W70-F74 HydrophobicContact CH2-CE2 3.93Å; W70-F74 AromaticContact CZ2-CD2 3.91Å; W70-F74 HydrophobicContact CZ2-CD2 3.91Å; W70-F74 HydrophobicContact CZ2-CE2 4Å; W70-F74 HydrophobicContact CZ3-CD2 4.34Å; W70-F74 AromaticContact CZ3-CE2 3.8Å; W70-F74 HydrophobicContact CZ3-CE2 3.8Å; W70-F74 AromaticContact NE1-CD2 3.72Å; W70-F74 PolarHBondContact O-N 2.83Å; F74-E76 HydrophobicContact CB-CG 3.82Å; F74-E76 PolarHBondContact O-N 2.87Å
75Q97.1Very high97.8Very high135 Ų13568.3 Ų68.363%0.63134%0.335SS*.SBendtrans58.822.9-178.9-57.2-66.1-44.300113.7Q71 W72Q71-Q75 WeakPolarHBondContact O-CA 3.26Å; Q71-Q75 PolarHBondContact O-N 2.96Å; Q71-Q75 PolarHBondContact O-NE2 2.8Å; W72-Q75 PolarHBondContact O-NE2 3.37Å
76E96.1Very high97.8Very high68 Ų6866.7 Ų66.732%0.31832%0.324SS..SBendtrans-135.4153.8176.965175.7-155.500110Q71 F74Q71-E76 PolarHBondContact OE1-O 3Å; F74-E76 HydrophobicContact CB-CG 3.82Å; F74-E76 PolarHBondContact O-N 2.87Å
77P96.6Very high97.7Very high71 Ų7164.6 Ų64.646%0.46131%0.314SS..PPolyproline II helixtrans-68.6140.9175.125.2-32.2000111.4Q71 R79Q71-P77 VanDerWaalsContact OE1-N 3.12Å; P77-R79 PolarHBondContact O-N 2.8Å
78I98Very high97.7Very high1 Ų168 Ų681%0.00533%0.33CS..PPolyproline II helixtrans-64.6131178.9-169.2168.6000111.6H44 C67 W70 K82 L83H44-I78 PolarHBondContact NE2-O 2.94Å; C67-I78 HydrophobicContact CB-CG2 4.29Å; W70-I78 HydrophobicContact CB-CB 3.84Å; W70-I78 HydrophobicContact CB-CD1 4.17Å; W70-I78 HydrophobicContact CB-CG1 4.3Å; W70-I78 HydrophobicContact CD2-CB 4Å; W70-I78 HydrophobicContact CD2-CD1 3.94Å; W70-I78 HydrophobicContact CD2-CG1 3.72Å; W70-I78 HydrophobicContact CE3-CD1 3.78Å; W70-I78 HydrophobicContact CE3-CG1 3.99Å; W70-I78 HydrophobicContact CG-CB 3.56Å; W70-I78 HydrophobicContact CG-CD1 4.12Å; W70-I78 HydrophobicContact CG-CG1 3.84Å; I78-K82 HydrophobicContact CD1-CG 4.07Å; I78-K82 HydrophobicContact CG1-CB 4.19Å; I78-K82 HydrophobicContact CG1-CG 4.1Å; I78-L83 HydrophobicContact CD1-CB 4.12Å; I78-L83 HydrophobicContact CD1-CD1 4.09Å; I78-L83 HydrophobicContact CG1-CB 4.31Å; I78-L83 HydrophobicContact CG2-CB 4.25Å; I78-L83 HydrophobicContact CG2-CD1 4.2Å; I78-L83 HydrophobicContact CG2-CD2 4.41Å
79R98Very high97.6Very high98 Ų9866.9 Ų66.937%0.3733%0.33SS..PPolyproline II helixtrans-62.1144.7173.4-64.4-172.6-176.985.77111.2P77 S81 K82 L83 E114P77-R79 PolarHBondContact O-N 2.8Å; R79-S81 VanDerWaalsContact C-N 3.31Å; R79-S81 PolarHBondContact O-N 2.92Å; R79-K82 PolarHBondContact O-N 2.98Å; R79-K82 VanDerWaalsContact O-N 3.13Å; R79-L83 PolarHBondContact O-N 3.21Å; R79-E114 IonicContact CZ-OE2 2.59Å; R79-E114 IonicContact NE-OE2 3.53Å; R79-E114 PolarHBondContact NE-OE2 3.09Å; R79-E114 VanDerWaalsContact NE-OE2 3.07Å; R79-E114 IonicContact NH2-OE1 2.76Å; R79-E114 IonicContact NH2-OE2 2.71Å; R79-E114 PolarHBondContact NH2-OE2 3.09Å
80I98.2Very high97.5Very high1 Ų166.6 Ų66.61%0.00533%0.325CS..Hα-helixtrans-63.5-40.6-174.7-56.5-53.8000110.8V45 K82 L83 M84 D113 H118V45-I80 HydrophobicContact CB-CD1 3.9Å; V45-I80 HydrophobicContact CG2-CD1 3.96Å; I80-K82 VanDerWaalsContact C-N 3.32Å; I80-K82 PolarHBondContact O-N 3.37Å; I80-L83 PolarHBondContact O-N 3.48Å; I80-M84 HydrophobicContact CG2-CE 4.42Å; I80-M84 HydrophobicContact CG2-CG 4.27Å; I80-M84 VanDerWaalsContact O-CG 3.3Å; I80-M84 WeakPolarHBondContact O-CG 3.34Å; I80-M84 PolarHBondContact O-N 3.04Å; I80-D113 HydrophobicContact CG1-CB 4.3Å; I80-D113 PolarHBondContact N-OD2 2.89Å; I80-H118 HydrophobicContact CB-CB 4.23Å; I80-H118 HydrophobicContact CG1-CB 4.33Å; I80-H118 HydrophobicContact CG2-CB 3.83Å
81S97Very high97.4Very high76 Ų7664.3 Ų64.353%0.53132%0.316SS..Hα-helixtrans-56.5-43.6175.756.90000112.6R79 M84 V85R79-S81 VanDerWaalsContact C-N 3.31Å; R79-S81 PolarHBondContact O-N 2.92Å; S81-M84 PolarHBondContact O-N 3.04Å; S81-V85 WeakPolarHBondContact O-CG2 3.44Å; S81-V85 PolarHBondContact O-N 2.72Å
82K97.6Very high97.3Very high71 Ų7162.6 Ų62.631%0.30931%0.308SS..Hα-helixtrans-68.7-43.6177.8178.953.8177156.70111.7W70 I78 R79 I80 M84 V85 E86W70-K82 HydrophobicContact CE3-CG 4.36Å; W70-K82 HydrophobicContact CH2-CG 3.88Å; W70-K82 HydrophobicContact CZ3-CD 4.28Å; W70-K82 HydrophobicContact CZ3-CG 3.73Å; I78-K82 HydrophobicContact CD1-CG 4.07Å; I78-K82 HydrophobicContact CG1-CB 4.19Å; I78-K82 HydrophobicContact CG1-CG 4.1Å; R79-K82 PolarHBondContact O-N 2.98Å; R79-K82 VanDerWaalsContact O-N 3.13Å; I80-K82 VanDerWaalsContact C-N 3.32Å; I80-K82 PolarHBondContact O-N 3.37Å; K82-M84 PolarHBondContact O-N 3.38Å; K82-V85 PolarHBondContact O-N 2.79Å; K82-E86 WeakPolarHBondContact CE-OE1 3.25Å; K82-E86 IonicContact NZ-OE1 3.09Å; K82-E86 PolarHBondContact NZ-OE1 3.4Å; K82-E86 PolarHBondContact O-N 3.35Å
83L98.3Very high97.2Very high0 Ų055.1 Ų55.10%029%0.285CS..Hα-helixtrans-59.9-36.8175.6-173.566.6000111.6V45 L63 E66 I78 R79 I80 E86 L87V45-L83 HydrophobicContact CG1-CD2 4.24Å; V45-L83 HydrophobicContact CG2-CD2 4.03Å; L63-L83 HydrophobicContact CB-CD1 4.33Å; L63-L83 HydrophobicContact CD2-CD1 3.75Å; L63-L83 HydrophobicContact CD2-CG 3.96Å; E66-L83 HydrophobicContact CB-CD1 3.91Å; I78-L83 HydrophobicContact CD1-CB 4.12Å; I78-L83 HydrophobicContact CD1-CD1 4.09Å; I78-L83 HydrophobicContact CG1-CB 4.31Å; I78-L83 HydrophobicContact CG2-CB 4.25Å; I78-L83 HydrophobicContact CG2-CD1 4.2Å; I78-L83 HydrophobicContact CG2-CD2 4.41Å; R79-L83 PolarHBondContact O-N 3.21Å; I80-L83 PolarHBondContact O-N 3.48Å; L83-E86 PolarHBondContact O-N 2.91Å; L83-L87 PolarHBondContact O-N 3.48Å
84M98Very high97.1Very high11 Ų1151.7 Ų51.75%0.05426%0.264CS..Hα-helixtrans-68.1-36.8177.5-72.2-4593.400112.4I80 S81 K82 E86 L87 E88 V109 C120 V128I80-M84 HydrophobicContact CG2-CE 4.42Å; I80-M84 HydrophobicContact CG2-CG 4.27Å; I80-M84 VanDerWaalsContact O-CG 3.3Å; I80-M84 WeakPolarHBondContact O-CG 3.34Å; I80-M84 PolarHBondContact O-N 3.04Å; S81-M84 PolarHBondContact O-N 3.04Å; K82-M84 PolarHBondContact O-N 3.38Å; M84-E86 VanDerWaalsContact C-N 3.34Å; M84-E86 PolarHBondContact O-N 2.93Å; M84-L87 HydrophobicContact CE-CD2 4.33Å; M84-L87 WeakPolarHBondContact O-CB 3.38Å; M84-L87 PolarHBondContact O-N 2.92Å; M84-L87 HydrophobicContact SD-CD2 4.15Å; M84-E88 WeakPolarHBondContact O-CB 3.4Å; M84-E88 PolarHBondContact O-N 2.9Å; M84-V109 HydrophobicContact CE-CB 4.11Å; M84-V109 HydrophobicContact CE-CG1 3.73Å; M84-V109 HydrophobicContact CE-CG2 3.87Å; M84-V109 HydrophobicContact SD-CB 4.19Å; M84-V109 HydrophobicContact SD-CG1 4.44Å; M84-V109 HydrophobicContact SD-CG2 3.83Å; M84-C120 HydrophobicContact CG-CB 3.95Å; M84-C120 HydrophobicContact SD-CB 3.64Å; M84-V128 HydrophobicContact CB-CG1 4.03Å; M84-V128 HydrophobicContact CG-CG1 3.97Å; M84-V128 HydrophobicContact SD-CG1 4.01Å
85V97.9Very high96.8Very high71 Ų7149.1 Ų49.143%0.4326%0.257SS..Hα-helixtrans-63.7-39.2174.3171.50000111.6S81 K82 E88 S89S81-V85 WeakPolarHBondContact O-CG2 3.44Å; S81-V85 PolarHBondContact O-N 2.72Å; K82-V85 PolarHBondContact O-N 2.79Å; V85-E88 PolarHBondContact O-N 3.49Å; V85-S89 WeakPolarHBondContact O-CB 3.49Å; V85-S89 PolarHBondContact O-N 3.15Å; V85-S89 PolarHBondContact O-OG 2.74Å
86E97.8Very high96.6Very high50 Ų5049.6 Ų49.623%0.23426%0.259CS..Hα-helixtrans-65.5-42174.9-65.3-54.2146.400111.7F62 E66 K82 L83 M84 K90F62-E86 HydrophobicContact CE1-CB 4.39Å; F62-E86 HydrophobicContact CZ-CB 4.28Å; E66-E86 HydrophobicContact CG-CB 4.36Å; K82-E86 WeakPolarHBondContact CE-OE1 3.25Å; K82-E86 IonicContact NZ-OE1 3.09Å; K82-E86 PolarHBondContact NZ-OE1 3.4Å; K82-E86 PolarHBondContact O-N 3.35Å; L83-E86 PolarHBondContact O-N 2.91Å; M84-E86 VanDerWaalsContact C-N 3.34Å; M84-E86 PolarHBondContact O-N 2.93Å; E86-K90 WeakPolarHBondContact O-CB 3.25Å; E86-K90 PolarHBondContact O-N 3.16Å
87L98Very high96.4Very high0 Ų053.6 Ų53.60%027%0.271CS..Hα-helixtrans-61.8-47.8175.2-174.750000112L59 L63 L83 M84 K90 M91 L107 V109 T122L59-L87 HydrophobicContact CB-CD1 4.43Å; L59-L87 HydrophobicContact CD1-CD1 4.4Å; L59-L87 HydrophobicContact CD2-CD1 4.12Å; L63-L87 HydrophobicContact CD1-CD1 4.09Å; L63-L87 HydrophobicContact CD1-CD2 3.92Å; L63-L87 HydrophobicContact CD2-CB 3.78Å; L63-L87 HydrophobicContact CD2-CD1 4.06Å; L63-L87 HydrophobicContact CD2-CD2 4.22Å; L63-L87 HydrophobicContact CD2-CG 4.23Å; L63-L87 HydrophobicContact CG-CD1 4.27Å; L83-L87 PolarHBondContact O-N 3.48Å; M84-L87 HydrophobicContact CE-CD2 4.33Å; M84-L87 WeakPolarHBondContact O-CB 3.38Å; M84-L87 PolarHBondContact O-N 2.92Å; M84-L87 HydrophobicContact SD-CD2 4.15Å; L87-K90 PolarHBondContact O-N 2.87Å; L87-M91 HydrophobicContact CD1-CG 4.11Å; L87-M91 HydrophobicContact CD1-SD 3.86Å; L87-M91 HydrophobicContact CG-SD 4.03Å; L87-M91 WeakPolarHBondContact O-CB 3.32Å; L87-M91 VanDerWaalsContact O-CG 3.31Å; L87-M91 WeakPolarHBondContact O-CG 3.3Å; L87-M91 PolarHBondContact O-N 2.94Å; L87-L107 HydrophobicContact CD1-CD1 4.3Å; L87-L107 HydrophobicContact CD2-CD1 4.13Å; L87-V109 HydrophobicContact CD2-CG2 4.43Å; L87-T122 HydrophobicContact CD2-CG2 3.38Å; L87-T122 HydrophobicContact CG-CG2 4.05Å
88E97.3Very high96.1Very high72 Ų7261.6 Ų61.634%0.33629%0.294SS..Hα-helixtrans-56.1-53.4177.6-165.6-168.1151.200110.2M84 V85 K90 M91 Q92 G126 V128M84-E88 WeakPolarHBondContact O-CB 3.4Å; M84-E88 PolarHBondContact O-N 2.9Å; V85-E88 PolarHBondContact O-N 3.49Å; E88-K90 VanDerWaalsContact C-N 3.31Å; E88-K90 PolarHBondContact O-N 2.92Å; E88-M91 PolarHBondContact O-N 3.49Å; E88-M91 VanDerWaalsContact O-N 3.11Å; E88-Q92 HydrophobicContact CG-CG 4.23Å; E88-Q92 VanDerWaalsContact O-CB 3.3Å; E88-Q92 WeakPolarHBondContact O-CB 3.46Å; E88-Q92 VanDerWaalsContact O-CG 3.25Å; E88-Q92 WeakPolarHBondContact O-CG 3.43Å; E88-Q92 PolarHBondContact O-N 3.25Å; E88-G126 WeakPolarHBondContact CG-O 3.19Å; E88-V128 HydrophobicContact CB-CG2 3.93Å; E88-V128 HydrophobicContact CG-CG2 4.21Å
89S96.4Very high95.8Very high59 Ų5964.7 Ų64.741%0.41333%0.326SS..Hα-helixtrans-56.9-45.1178.9-61.40000111.6V85 M91 V93V85-S89 WeakPolarHBondContact O-CB 3.49Å; V85-S89 PolarHBondContact O-N 3.15Å; V85-S89 PolarHBondContact O-OG 2.74Å; S89-M91 PolarHBondContact O-N 2.84Å; S89-V93 VanDerWaalsContact O-CG2 3.32Å; S89-V93 WeakPolarHBondContact O-CG2 3.12Å; S89-V93 PolarHBondContact O-N 3.1Å; S89-V93 VanDerWaalsContact O-N 3.16Å
90K96.7Very high95.6Very high81 Ų8167.1 Ų67.135%0.35234%0.335SS..Hα-helixtrans-61.5-43.3177.4-176.366.3172.8-170.50112.2L59 F62 E86 L87 E88L59-K90 HydrophobicContact CD2-CG 4.12Å; F62-K90 HydrophobicContact CD1-CB 4.12Å; F62-K90 HydrophobicContact CD1-CG 3.89Å; F62-K90 HydrophobicContact CD2-CD 4.25Å; F62-K90 HydrophobicContact CD2-CG 4.46Å; F62-K90 HydrophobicContact CE1-CB 3.58Å; F62-K90 HydrophobicContact CE1-CD 4.42Å; F62-K90 HydrophobicContact CE1-CG 3.83Å; F62-K90 HydrophobicContact CE2-CD 4.13Å; F62-K90 HydrophobicContact CE2-CG 4.42Å; F62-K90 HydrophobicContact CG-CD 4.44Å; F62-K90 HydrophobicContact CG-CG 4.21Å; F62-K90 HydrophobicContact CZ-CB 3.85Å; F62-K90 HydrophobicContact CZ-CD 4.22Å; F62-K90 HydrophobicContact CZ-CG 4.11Å; E86-K90 WeakPolarHBondContact O-CB 3.25Å; E86-K90 PolarHBondContact O-N 3.16Å; L87-K90 PolarHBondContact O-N 2.87Å; E88-K90 VanDerWaalsContact C-N 3.31Å; E88-K90 PolarHBondContact O-N 2.92Å
91M96.5Very high95.4Very high1 Ų173.5 Ų73.51%0.00536%0.359CS..Hα-helixtrans-72.4-41.6-178.8-69.7-179.67400111.9L59 L87 E88 S89 V93 N94 F103 T122 C123L59-M91 HydrophobicContact CD1-CE 4.32Å; L59-M91 HydrophobicContact CD1-CG 4.14Å; L59-M91 HydrophobicContact CD1-SD 4.07Å; L59-M91 HydrophobicContact CD2-CG 4.23Å; L87-M91 HydrophobicContact CD1-CG 4.11Å; L87-M91 HydrophobicContact CD1-SD 3.86Å; L87-M91 HydrophobicContact CG-SD 4.03Å; L87-M91 WeakPolarHBondContact O-CB 3.32Å; L87-M91 VanDerWaalsContact O-CG 3.31Å; L87-M91 WeakPolarHBondContact O-CG 3.3Å; L87-M91 PolarHBondContact O-N 2.94Å; E88-M91 PolarHBondContact O-N 3.49Å; E88-M91 VanDerWaalsContact O-N 3.11Å; S89-M91 PolarHBondContact O-N 2.84Å; M91-V93 VanDerWaalsContact C-N 3.34Å; M91-V93 PolarHBondContact O-N 3.44Å; M91-N94 PolarHBondContact O-N 2.83Å; M91-F103 HydrophobicContact CB-CD2 4.22Å; M91-F103 HydrophobicContact CE-CB 4.35Å; M91-F103 HydrophobicContact CG-CD2 3.95Å; M91-F103 HydrophobicContact CG-CE2 4.38Å; M91-T122 HydrophobicContact SD-CG2 4.42Å; M91-C123 WeakPolarHBondContact CE-O 3.39Å
92Q95.7Very high95.2Very high36 Ų3672.8 Ų72.817%0.16835%0.353CS..Hα-helixtrans-63.3-34.2179.1-76.9-68.1-11.700113.1E88 N94 T95 Q96 S125 G126E88-Q92 HydrophobicContact CG-CG 4.23Å; E88-Q92 VanDerWaalsContact O-CB 3.3Å; E88-Q92 WeakPolarHBondContact O-CB 3.46Å; E88-Q92 VanDerWaalsContact O-CG 3.25Å; E88-Q92 WeakPolarHBondContact O-CG 3.43Å; E88-Q92 PolarHBondContact O-N 3.25Å; Q92-N94 PolarHBondContact O-N 3.01Å; Q92-N94 VanDerWaalsContact O-N 3.13Å; Q92-T95 PolarHBondContact O-N 2.82Å; Q92-T95 PolarHBondContact O-OG1 2.83Å; Q92-T95 PolarHBondContact OE1-OG1 3.16Å; Q92-T95 VanDerWaalsContact OE1-OG1 3.09Å; Q92-Q96 WeakPolarHBondContact O-CG 3.31Å; Q92-Q96 PolarHBondContact O-N 3.08Å; Q92-Q96 VanDerWaalsContact O-N 3.13Å; Q92-S125 PolarHBondContact NE2-O 3.44Å; Q92-G126 VanDerWaalsContact NE2-C 3.26Å; Q92-G126 PolarHBondContact NE2-O 2.88Å
93V95.2Very high95.1Very high50 Ų5069.9 Ų69.930%0.30334%0.34SS..Hα-helixtrans-56.1-34.2175.1166.10000112.1S89 M91 T95 R97S89-V93 VanDerWaalsContact O-CG2 3.32Å; S89-V93 WeakPolarHBondContact O-CG2 3.12Å; S89-V93 PolarHBondContact O-N 3.1Å; S89-V93 VanDerWaalsContact O-N 3.16Å; M91-V93 VanDerWaalsContact C-N 3.34Å; M91-V93 PolarHBondContact O-N 3.44Å; V93-T95 VanDerWaalsContact C-N 3.34Å; V93-R97 HydrophobicContact CG1-CG 4.37Å; V93-R97 WeakPolarHBondContact O-CB 3.38Å; V93-R97 WeakPolarHBondContact O-CG 3.44Å; V93-R97 PolarHBondContact O-N 2.85Å
94N94.3Very high95Very high24 Ų2470.4 Ų70.413%0.12835%0.346CS..Hα-helixtrans-81.6-9.4180-8743.7000114M91 Q92 R100 R101 F103M91-N94 PolarHBondContact O-N 2.83Å; Q92-N94 PolarHBondContact O-N 3.01Å; Q92-N94 VanDerWaalsContact O-N 3.13Å; N94-R100 HydrophobicContact CB-CB 4.48Å; N94-R101 WeakPolarHBondContact CB-O 3.37Å; N94-R101 PolarHBondContact ND2-O 2.76Å; N94-R101 CarbonylContact O-C 3.55Å; N94-F103 HydrophobicContact CB-CD2 4.15Å; N94-F103 HydrophobicContact CB-CE2 3.92Å
95T92.8Very high94.9Very high55 Ų5569.9 Ų69.934%0.33734%0.343SS..Hα-helixtrans-96-27.4174.166.30000111.7Q92 V93 P102Q92-T95 PolarHBondContact O-N 2.82Å; Q92-T95 PolarHBondContact O-OG1 2.83Å; Q92-T95 PolarHBondContact OE1-OG1 3.16Å; Q92-T95 VanDerWaalsContact OE1-OG1 3.09Å; V93-T95 VanDerWaalsContact C-N 3.34Å; T95-P102 HydrophobicContact CG2-CB 4.26Å; T95-P102 HydrophobicContact CG2-CG 4.25Å
96Q92.2Very high94.9Very high146 Ų14666.5 Ų66.568%0.68232%0.323SS*.Hα-helixtrans-101-15.8-172.7-61.6174.533.800114.1Q92Q92-Q96 WeakPolarHBondContact O-CG 3.31Å; Q92-Q96 PolarHBondContact O-N 3.08Å; Q92-Q96 VanDerWaalsContact O-N 3.13Å
97R91.9Very high94.9Very high152 Ų15264.1 Ų64.157%0.57431%0.312SS*.SBendtrans-101.3129.2180-65.2-171-176-178.62.6112.2V93 R100V93-R97 HydrophobicContact CG1-CG 4.37Å; V93-R97 WeakPolarHBondContact O-CB 3.38Å; V93-R97 WeakPolarHBondContact O-CG 3.44Å; V93-R97 PolarHBondContact O-N 2.85Å; R97-R100 HydrophobicContact CB-CG 4.33Å; R97-R100 PolarHBondContact O-N 3.09Å
98Y91Very high94.9Very high238 Ų23864.1 Ų64.193%0.93331%0.312SS*.THydrogen-bonded Turntrans-57.9146.7172.5-175.1-98.5000111.8R100Y98-R100 PolarHBondContact O-N 2.63Å
99G92Very high95Very high67 Ų6760.7 Ų60.769%0.69130%0.296SS*.THydrogen-bonded Turntrans75.23.8-18000000115
100R92.5Very high95.1Very high148 Ų14857.9 Ų57.956%0.55828%0.276SS*.  trans-109152170-58.6-60.7-175.587.4-3.8109.8N94 R97 Y98N94-R100 HydrophobicContact CB-CB 4.48Å; R97-R100 HydrophobicContact CB-CG 4.33Å; R97-R100 PolarHBondContact O-N 3.09Å; Y98-R100 PolarHBondContact O-N 2.63Å
101R93.6Very high95.2Very high135 Ų13554 Ų5451%0.50926%0.26SS..  trans-104.6145169.164.1171.3-175.273.70.7110D55 N94D55-R101 IonicContact OD1-CZ 3.63Å; D55-R101 IonicContact OD1-NH1 3.84Å; D55-R101 IonicContact OD1-NH2 2.79Å; D55-R101 PolarHBondContact OD1-NH2 3.04Å; D55-R101 IonicContact OD2-CZ 3.55Å; D55-R101 IonicContact OD2-NH1 3.58Å; D55-R101 PolarHBondContact OD2-NH1 2.85Å; D55-R101 IonicContact OD2-NH2 3.46Å; D55-R101 PolarHBondContact OD2-NH2 3.03Å; N94-R101 WeakPolarHBondContact CB-O 3.37Å; N94-R101 PolarHBondContact ND2-O 2.76Å; N94-R101 CarbonylContact O-C 3.55Å
102P94.3Very high95.3Very high61 Ų6156.2 Ų56.240%0.39627%0.269SS..  trans-55.4154.2168.3-25.134.5000111.8T95 G104T95-P102 HydrophobicContact CG2-CB 4.26Å; T95-P102 HydrophobicContact CG2-CG 4.25Å; P102-G104 PolarHBondContact O-N 2.89Å
103F95.6Very high95.4Very high10 Ų1055.3 Ų55.34%0.04427%0.266CS..  trans-68.1123.7174.3-69.3-83.5000109.8D55 L58 L59 M91 N94 V105 P124D55-F103 HydrophobicContact CB-CD1 4.07Å; L58-F103 HydrophobicContact CD2-CE1 3.83Å; L58-F103 HydrophobicContact CD2-CZ 4.2Å; L59-F103 HydrophobicContact CD1-CB 4.23Å; L59-F103 HydrophobicContact CD1-CD1 4.04Å; L59-F103 HydrophobicContact CD1-CG 4.02Å; L59-F103 HydrophobicContact CD2-CD1 4.13Å; L59-F103 HydrophobicContact CD2-CD2 4.4Å; L59-F103 HydrophobicContact CD2-CE1 3.83Å; L59-F103 HydrophobicContact CD2-CE2 4.13Å; L59-F103 HydrophobicContact CD2-CG 4.4Å; L59-F103 HydrophobicContact CD2-CZ 3.83Å; L59-F103 HydrophobicContact CG-CD1 4.03Å; L59-F103 HydrophobicContact CG-CE1 4.11Å; L59-F103 HydrophobicContact CG-CG 4.43Å; M91-F103 HydrophobicContact CB-CD2 4.22Å; M91-F103 HydrophobicContact CE-CB 4.35Å; M91-F103 HydrophobicContact CG-CD2 3.95Å; M91-F103 HydrophobicContact CG-CE2 4.38Å; N94-F103 HydrophobicContact CB-CD2 4.15Å; N94-F103 HydrophobicContact CB-CE2 3.92Å; F103-V105 HydrophobicContact CB-CG1 4.16Å; F103-V105 PolarHBondContact O-N 2.81Å; F103-P124 WeakPolarHBondContact O-CA 3.32Å; F103-P124 WeakPolarHBondContact O-CB 3.43Å; F103-P124 WeakPolarHBondContact O-CG 3.26Å
104G95.7Very high95.3Very high11 Ų1160.2 Ų60.211%0.11329%0.285CS..SBendtrans-80.335.1-178.700000113.3A3 L52 D55 P102A3-G104 VanDerWaalsContact CB-O 3.3Å; A3-G104 WeakPolarHBondContact CB-O 3.4Å; L52-G104 WeakPolarHBondContact CB-O 3.5Å; L52-G104 PolarHBondContact N-O 2.93Å; D55-G104 PolarHBondContact OD2-N 2.83Å; P102-G104 PolarHBondContact O-N 2.89Å
105V96.8Very high95.4Very high0 Ų063.6 Ų63.60%031%0.31CS..EExtended strand (participates in β ladder)trans-141.3146.2-17076.90000110.7I49 A50 D55 L59 F103 L107I49-V105 HydrophobicContact CG2-CG2 3.38Å; A50-V105 WeakPolarHBondContact O-CA 3.32Å; A50-V105 WeakPolarHBondContact O-CG2 3.09Å; D55-V105 HydrophobicContact CB-CB 4.16Å; D55-V105 HydrophobicContact CB-CG1 4.02Å; L59-V105 HydrophobicContact CD1-CG1 3.65Å; F103-V105 HydrophobicContact CB-CG1 4.16Å; F103-V105 PolarHBondContact O-N 2.81Å; V105-L107 HydrophobicContact CG2-CD2 4.19Å
106G96.4Very high95.6Very high1 Ų161.5 Ų61.51%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-114.914116600000108.9A50 T122 I136A50-G106 PolarHBondContact N-O 3.49Å; A50-G106 PolarHBondContact O-N 2.72Å; G106-T122 VanDerWaalsContact CA-O 3.26Å; G106-T122 WeakPolarHBondContact CA-O 3.31Å; G106-I136 VanDerWaalsContact C-CD1 3.47Å; G106-I136 WeakPolarHBondContact O-CD1 3.44Å
107L98.2Very high95.9Very high0 Ų055 Ų550%027%0.27CS..EExtended strand (participates in β ladder)trans-112.2141.2177.8-53.9-179.7000109.3I47 S48 I49 L59 L63 L87 V105 V109 Q121 T122I47-L107 HydrophobicContact CD1-CD1 4.18Å; I47-L107 HydrophobicContact CD1-CD2 4.2Å; S48-L107 WeakPolarHBondContact O-CA 3.37Å; I49-L107 HydrophobicContact CB-CD2 4.33Å; I49-L107 HydrophobicContact CG1-CD2 3.7Å; I49-L107 HydrophobicContact CG2-CD2 4.48Å; L59-L107 HydrophobicContact CB-CD1 4.05Å; L59-L107 HydrophobicContact CD1-CD1 4.15Å; L63-L107 HydrophobicContact CD1-CD1 4.32Å; L87-L107 HydrophobicContact CD1-CD1 4.3Å; L87-L107 HydrophobicContact CD2-CD1 4.13Å; V105-L107 HydrophobicContact CG2-CD2 4.19Å; L107-V109 HydrophobicContact CB-CG2 4.47Å; L107-Q121 CarbonylContact O-C 3.53Å; L107-Q121 WeakPolarHBondContact O-CA 3.12Å; L107-T122 HydrophobicContact CB-CG2 4.47Å; L107-T122 WeakPolarHBondContact CB-OG1 3.35Å; L107-T122 PolarHBondContact N-O 3.37Å; L107-T122 PolarHBondContact N-OG1 2.83Å; L107-T122 VanDerWaalsContact N-OG1 3.14Å; L107-T122 PolarHBondContact O-N 2.97Å
108L98.6Very high96.2Very high0 Ų048.4 Ų48.40%025%0.246CC..EExtended strand (participates in β ladder)trans-103.8122154.2-66.6-175000107.6T10 G12 L21 I47 S48 C120 Q121 M134 I136T10-L108 HydrophobicContact CG2-CD1 3.88Å; T10-L108 HydrophobicContact CG2-CG 4.17Å; G12-L108 VanDerWaalsContact N-CD1 3.3Å; L21-L108 HydrophobicContact CD2-CB 3.76Å; I47-L108 CarbonylContact C-O 3.48Å; I47-L108 VanDerWaalsContact CA-O 3.26Å; I47-L108 WeakPolarHBondContact CA-O 3.1Å; S48-L108 PolarHBondContact N-O 3.37Å; S48-L108 PolarHBondContact O-N 2.77Å; L108-C120 CarbonylContact C-O 3.55Å; L108-C120 WeakPolarHBondContact CA-O 3.32Å; L108-Q121 HydrophobicContact CD2-CB 3.77Å; L108-Q121 HydrophobicContact CD2-CG 3.94Å; L108-M134 WeakPolarHBondContact CD1-O 2.81Å; L108-M134 HydrophobicContact CD2-CB 4.16Å; L108-M134 HydrophobicContact CD2-CG 4.19Å; L108-I136 HydrophobicContact CD1-CG1 4.29Å; L108-I136 HydrophobicContact CD2-CD1 4.27Å; L108-I136 HydrophobicContact CD2-CG1 4.39Å; L108-I136 HydrophobicContact CD2-CG2 4.21Å; L108-I136 HydrophobicContact CG-CD1 3.89Å; L108-I136 HydrophobicContact CG-CG1 3.93Å
109V98.8Very high96.6Very high0 Ų037.1 Ų37.10%020%0.202CC..EExtended strand (participates in β ladder)trans-101.3128.7176-172.70000107.4V45 I47 M84 L87 L107 I119 C120V45-V109 HydrophobicContact CG2-CG1 3.66Å; I47-V109 HydrophobicContact CG2-CB 4.19Å; I47-V109 HydrophobicContact CG2-CG1 4.03Å; I47-V109 HydrophobicContact CG2-CG2 3.78Å; M84-V109 HydrophobicContact CE-CB 4.11Å; M84-V109 HydrophobicContact CE-CG1 3.73Å; M84-V109 HydrophobicContact CE-CG2 3.87Å; M84-V109 HydrophobicContact SD-CB 4.19Å; M84-V109 HydrophobicContact SD-CG1 4.44Å; M84-V109 HydrophobicContact SD-CG2 3.83Å; L87-V109 HydrophobicContact CD2-CG2 4.43Å; L107-V109 HydrophobicContact CB-CG2 4.47Å; V109-I119 CarbonylContact O-C 3.35Å; V109-I119 VanDerWaalsContact O-CA 3.32Å; V109-I119 WeakPolarHBondContact O-CA 3.38Å; V109-C120 HydrophobicContact CB-CB 4.23Å; V109-C120 PolarHBondContact N-O 3.12Å; V109-C120 PolarHBondContact O-N 3.4Å
110A98.8Very high96.9Very high0 Ų034.1 Ų34.10%017%0.17CC..EExtended strand (participates in β ladder)trans-117.3127.6168.300000108.5A19 L21 V45 G46 H118 I119 V190 F196A19-A110 HydrophobicContact CB-CB 3.98Å; L21-A110 HydrophobicContact CD1-CB 3.68Å; L21-A110 HydrophobicContact CD2-CB 4.02Å; L21-A110 HydrophobicContact CG-CB 3.52Å; V45-A110 WeakPolarHBondContact CA-O 3.36Å; G46-A110 PolarHBondContact N-O 2.84Å; G46-A110 PolarHBondContact O-N 2.93Å; G46-A110 VanDerWaalsContact O-O 3.1Å; A110-H118 WeakPolarHBondContact CA-O 3.35Å; A110-I119 HydrophobicContact CB-CD1 3.67Å; A110-V190 HydrophobicContact CB-CG1 4.27Å; A110-F196 HydrophobicContact CB-CE2 4.19Å
111G98.6Very high97.2Very high0 Ų028 Ų280%015%0.148CC..EExtended strand (participates in β ladder)trans-148.8167178.200000111.9H44 P117 H118H44-G111 CarbonylContact O-C 3.56Å; H44-G111 WeakPolarHBondContact O-CA 3.02Å; G111-P117 CarbonylContact O-C 3.58Å; G111-P117 WeakPolarHBondContact O-CA 3.27Å; G111-H118 PolarHBondContact N-O 2.82Å; G111-H118 VanDerWaalsContact N-O 3.14Å; G111-H118 PolarHBondContact O-N 3.14Å
112F98.6Very high97.3Very high47 Ų4721.5 Ų21.521%0.20612%0.123CC..EExtended strand (participates in β ladder)trans-132.4128.1174.2-176.1-89.4000108.7T17 H44 G116 P117 V190 K192T17-F112 WeakPolarHBondContact O-CD2 3.4Å; T17-F112 VanDerWaalsContact O-CE2 3.32Å; T17-F112 WeakPolarHBondContact O-CE2 3.43Å; H44-F112 WeakPolarHBondContact CB-O 3.24Å; H44-F112 PolarHBondContact CD2-O 3.27Å; H44-F112 PolarHBondContact O-N 3.45Å; F112-G116 WeakPolarHBondContact CA-O 3.25Å; F112-G116 VanDerWaalsContact CD2-C 3.49Å; F112-P117 HydrophobicContact CD2-CB 4.12Å; F112-V190 HydrophobicContact CB-CG2 3.96Å; F112-K192 HydrophobicContact CE1-CB 4.37Å; F112-K192 HydrophobicContact CE2-CB 3.98Å; F112-K192 HydrophobicContact CZ-CB 3.66Å; F112-K192 HydrophobicContact CZ-CG 4.18Å
113D97.2Very high97.3Very high17 Ų1719 Ų199%0.09111%0.107CC..EExtended strand (participates in β ladder)trans-133.3-167.9172.869.730.1000111.1I80 S115 G116 H118I80-D113 HydrophobicContact CG1-CB 4.3Å; I80-D113 PolarHBondContact N-OD2 2.89Å; D113-S115 PolarHBondContact O-N 3.14Å; D113-S115 VanDerWaalsContact O-N 3.14Å; D113-S115 WeakPolarHBondContact OD1-CA 3.2Å; D113-S115 WeakPolarHBondContact OD1-CB 3.49Å; D113-S115 PolarHBondContact OD1-N 2.96Å; D113-S115 PolarHBondContact OD1-OG 2.69Å; D113-G116 PolarHBondContact N-O 3.14Å; D113-G116 PolarHBondContact O-N 2.83Å; D113-H118 IonicContact OD1-CD2 2.87Å; D113-H118 IonicContact OD1-NE2 3.4Å; D113-H118 PolarHBondContact OD1-NE2 2.83Å; D113-H118 VanDerWaalsContact OD1-NE2 3.09Å; D113-H118 IonicContact OD2-CD2 3.54Å; D113-H118 IonicContact OD2-NE2 2.82Å
114E94.8Very high97.2Very high153 Ų15319.2 Ų19.272%0.71511%0.109SC*.THydrogen-bonded Turntrans-55.8-28.4-179.6-59.1176.3144.300113.2R79R79-E114 IonicContact CZ-OE2 2.59Å; R79-E114 IonicContact NE-OE2 3.53Å; R79-E114 PolarHBondContact NE-OE2 3.09Å; R79-E114 VanDerWaalsContact NE-OE2 3.07Å; R79-E114 IonicContact NH2-OE1 2.76Å; R79-E114 IonicContact NH2-OE2 2.71Å; R79-E114 PolarHBondContact NH2-OE2 3.09Å
115S95.6Very high97Very high94 Ų9421.6 Ų21.666%0.65713%0.125SC*.THydrogen-bonded Turntrans-87.3-6178.270.80000113.8D113 H118D113-S115 PolarHBondContact O-N 3.14Å; D113-S115 VanDerWaalsContact O-N 3.14Å; D113-S115 WeakPolarHBondContact OD1-CA 3.2Å; D113-S115 WeakPolarHBondContact OD1-CB 3.49Å; D113-S115 PolarHBondContact OD1-N 2.96Å; D113-S115 PolarHBondContact OD1-OG 2.69Å; S115-H118 PolarHBondContact OG-CE1 2.88Å; S115-H118 PolarHBondContact OG-NE2 3.13Å
116G97.2Very high96.8Very high11 Ų1121.6 Ų21.611%0.11313%0.125CC..EExtended strand (participates in β ladder)trans114.4-155.8174.200000113.2F112 D113 H118F112-G116 WeakPolarHBondContact CA-O 3.25Å; F112-G116 VanDerWaalsContact CD2-C 3.49Å; D113-G116 PolarHBondContact N-O 3.14Å; D113-G116 PolarHBondContact O-N 2.83Å; G116-H118 PolarHBondContact O-CD2 2.95Å; G116-H118 PolarHBondContact O-NE2 2.91Å
117P98.3Very high96.6Very high10 Ų1025.2 Ų25.27%0.06514%0.142CC..EExtended strand (participates in β ladder)trans-80.3144179.731-33.2000112.2K14 N15 Q16 A19 G111 F112K14-P117 HydrophobicContact CB-CB 4.23Å; K14-P117 HydrophobicContact CB-CG 4.44Å; K14-P117 HydrophobicContact CD-CB 4.39Å; K14-P117 HydrophobicContact CD-CG 4.41Å; K14-P117 WeakPolarHBondContact CD-O 3.27Å; K14-P117 PolarHBondContact NZ-O 3.22Å; N15-P117 WeakPolarHBondContact O-CG 3.1Å; Q16-P117 VanDerWaalsContact O-CD 3.31Å; Q16-P117 WeakPolarHBondContact O-CD 3.41Å; A19-P117 HydrophobicContact CB-CB 3.97Å; G111-P117 CarbonylContact O-C 3.58Å; G111-P117 WeakPolarHBondContact O-CA 3.27Å; F112-P117 HydrophobicContact CD2-CB 4.12Å
118H98.7Very high96.5Very high14 Ų1426.7 Ų26.77%0.06515%0.151CC..EExtended strand (participates in β ladder)trans-129.3139.2179.8-60.4-79.8000111.2I80 A110 G111 D113 S115 G116 E130I80-H118 HydrophobicContact CB-CB 4.23Å; I80-H118 HydrophobicContact CG1-CB 4.33Å; I80-H118 HydrophobicContact CG2-CB 3.83Å; A110-H118 WeakPolarHBondContact CA-O 3.35Å; G111-H118 PolarHBondContact N-O 2.82Å; G111-H118 VanDerWaalsContact N-O 3.14Å; G111-H118 PolarHBondContact O-N 3.14Å; D113-H118 IonicContact OD1-CD2 2.87Å; D113-H118 IonicContact OD1-NE2 3.4Å; D113-H118 PolarHBondContact OD1-NE2 2.83Å; D113-H118 VanDerWaalsContact OD1-NE2 3.09Å; D113-H118 IonicContact OD2-CD2 3.54Å; D113-H118 IonicContact OD2-NE2 2.82Å; S115-H118 PolarHBondContact OG-CE1 2.88Å; S115-H118 PolarHBondContact OG-NE2 3.13Å; G116-H118 PolarHBondContact O-CD2 2.95Å; G116-H118 PolarHBondContact O-NE2 2.91Å; H118-E130 IonicContact CE1-OE1 3.73Å; H118-E130 IonicContact CG-OE1 3.89Å; H118-E130 IonicContact ND1-OE1 3.95Å; H118-E130 PolarHBondContact ND1-OE1 3.34Å; H118-E130 IonicContact ND1-OE2 3.07Å
119I98.7Very high96.4Very high0 Ų031.9 Ų31.90%017%0.171CC..EExtended strand (participates in β ladder)trans-122.3113.5165.3-64.7-67.1000106.9K14 A19 V109 A110 E130 C131K14-I119 HydrophobicContact CB-CG1 3.89Å; K14-I119 HydrophobicContact CD-CG1 4.35Å; K14-I119 HydrophobicContact CG-CG1 3.96Å; A19-I119 HydrophobicContact CB-CD1 3.79Å; A19-I119 HydrophobicContact CB-CG1 4.27Å; V109-I119 CarbonylContact O-C 3.35Å; V109-I119 VanDerWaalsContact O-CA 3.32Å; V109-I119 WeakPolarHBondContact O-CA 3.38Å; A110-I119 HydrophobicContact CB-CD1 3.67Å; I119-E130 WeakPolarHBondContact O-CA 3.37Å; I119-C131 WeakPolarHBondContact CB-O 3.3Å; I119-C131 PolarHBondContact O-N 2.69Å
120C98.6Very high96.4Very high4 Ų437 Ų373%0.02720%0.195CC..EExtended strand (participates in β ladder)trans-115.7133.9178.6-55.30000110.5M84 L108 V109 V128 Y129M84-C120 HydrophobicContact CG-CB 3.95Å; M84-C120 HydrophobicContact SD-CB 3.64Å; L108-C120 CarbonylContact C-O 3.55Å; L108-C120 WeakPolarHBondContact CA-O 3.32Å; V109-C120 HydrophobicContact CB-CB 4.23Å; V109-C120 PolarHBondContact N-O 3.12Å; V109-C120 PolarHBondContact O-N 3.4Å; C120-V128 HydrophobicContact CB-CG1 4.15Å; C120-Y129 CarbonylContact C-O 3.52Å; C120-Y129 WeakPolarHBondContact CA-O 3.24Å
121Q97.9Very high96.3Very high19 Ų1938.6 Ų38.69%0.08921%0.206CC..EExtended strand (participates in β ladder)trans-102.3136.3172.3-179.3-168.70.800110.1L107 L108 C123 V128 Y129 M134 I136L107-Q121 CarbonylContact O-C 3.53Å; L107-Q121 WeakPolarHBondContact O-CA 3.12Å; L108-Q121 HydrophobicContact CD2-CB 3.77Å; L108-Q121 HydrophobicContact CD2-CG 3.94Å; Q121-C123 PolarHBondContact NE2-SG 3.17Å; Q121-C123 VanDerWaalsContact NE2-SG 3.44Å; Q121-V128 CarbonylContact O-C 3.47Å; Q121-V128 VanDerWaalsContact O-CA 3.31Å; Q121-V128 WeakPolarHBondContact O-CA 3.2Å; Q121-Y129 PolarHBondContact N-O 3.4Å; Q121-Y129 PolarHBondContact O-N 2.88Å; Q121-M134 HydrophobicContact CB-CG 4.23Å; Q121-M134 HydrophobicContact CG-CG 4.38Å; Q121-M134 VanDerWaalsContact OE1-CG 3.3Å; Q121-I136 HydrophobicContact CG-CG2 3.92Å
122T96.8Very high96.2Very high0 Ų043.9 Ų43.90%023%0.23CC..EExtended strand (participates in β ladder)trans-111.2147.8164.875.40000112.4L87 M91 G106 L107 M127 V128L87-T122 HydrophobicContact CD2-CG2 3.38Å; L87-T122 HydrophobicContact CG-CG2 4.05Å; M91-T122 HydrophobicContact SD-CG2 4.42Å; G106-T122 VanDerWaalsContact CA-O 3.26Å; G106-T122 WeakPolarHBondContact CA-O 3.31Å; L107-T122 HydrophobicContact CB-CG2 4.47Å; L107-T122 WeakPolarHBondContact CB-OG1 3.35Å; L107-T122 PolarHBondContact N-O 3.37Å; L107-T122 PolarHBondContact N-OG1 2.83Å; L107-T122 VanDerWaalsContact N-OG1 3.14Å; L107-T122 PolarHBondContact O-N 2.97Å; T122-M127 WeakPolarHBondContact CA-O 3.29Å; T122-V128 HydrophobicContact CG2-CG1 4.24Å; T122-V128 HydrophobicContact CG2-CG2 3.79Å
123C93.7Very high96.2Very high9 Ų942.6 Ų42.66%0.06123%0.229CC..  trans-120154.3177.3-70.50000111M1 M91 Q121 S125 G126 M127M1-C123 HydrophobicContact SD-CB 4.38Å; M91-C123 WeakPolarHBondContact CE-O 3.39Å; Q121-C123 PolarHBondContact NE2-SG 3.17Å; Q121-C123 VanDerWaalsContact NE2-SG 3.44Å; C123-S125 PolarHBondContact O-N 3.07Å; C123-G126 PolarHBondContact O-N 2.91Å; C123-M127 PolarHBondContact N-O 2.89Å; C123-M127 VanDerWaalsContact N-O 3.11Å
124P93.9Very high96.2Very high13 Ų1343.4 Ų43.48%0.08423%0.232CC..THydrogen-bonded Turntrans-52.2-20.7174.5-33.638.7000116.2V4 F103 G126V4-P124 HydrophobicContact CG2-CG 3.62Å; F103-P124 WeakPolarHBondContact O-CA 3.32Å; F103-P124 WeakPolarHBondContact O-CB 3.43Å; F103-P124 WeakPolarHBondContact O-CG 3.26Å; P124-G126 PolarHBondContact O-N 3Å
125S91.8Very high96.4Very high62 Ų6236.1 Ų36.143%0.43420%0.198SC..THydrogen-bonded Turntrans-70.2-7.8173.852.40000113.7Q92 C123 M127Q92-S125 PolarHBondContact NE2-O 3.44Å; C123-S125 PolarHBondContact O-N 3.07Å; S125-M127 VanDerWaalsContact C-N 3.34Å
126G90.9Very high96.5Very high0 Ų031.9 Ų31.90%017%0.168CC..SBendtrans78.815.9-173.900000113.5E88 Q92 C123 P124E88-G126 WeakPolarHBondContact CG-O 3.19Å; Q92-G126 VanDerWaalsContact NE2-C 3.26Å; Q92-G126 PolarHBondContact NE2-O 2.88Å; C123-G126 PolarHBondContact O-N 2.91Å; P124-G126 PolarHBondContact O-N 3Å
127M93.4Very high96.5Very high76 Ų7631.5 Ų31.537%0.37416%0.164SC..  trans-88.5144.5173.3-62.5-62.6-65.100110.5T122 C123 S125 Y129T122-M127 WeakPolarHBondContact CA-O 3.29Å; C123-M127 PolarHBondContact N-O 2.89Å; C123-M127 VanDerWaalsContact N-O 3.11Å; S125-M127 VanDerWaalsContact C-N 3.34Å; M127-Y129 HydrophobicContact CB-CE2 3.73Å
128V96.1Very high96.3Very high31 Ų3131.8 Ų31.819%0.18817%0.166CC..EExtended strand (participates in β ladder)trans-120.6136.7173.6-173.70000109.7M84 E88 C120 Q121 T122M84-V128 HydrophobicContact CB-CG1 4.03Å; M84-V128 HydrophobicContact CG-CG1 3.97Å; M84-V128 HydrophobicContact SD-CG1 4.01Å; E88-V128 HydrophobicContact CB-CG2 3.93Å; E88-V128 HydrophobicContact CG-CG2 4.21Å; C120-V128 HydrophobicContact CB-CG1 4.15Å; Q121-V128 CarbonylContact O-C 3.47Å; Q121-V128 VanDerWaalsContact O-CA 3.31Å; Q121-V128 WeakPolarHBondContact O-CA 3.2Å; T122-V128 HydrophobicContact CG2-CG1 4.24Å; T122-V128 HydrophobicContact CG2-CG2 3.79Å
129Y96.7Very high96.1Very high110 Ų11036.3 Ų36.343%0.43118%0.183SC..EExtended strand (participates in β ladder)trans-128132.9178.4-54.2-80.4000109.3C120 Q121 M127C120-Y129 CarbonylContact C-O 3.52Å; C120-Y129 WeakPolarHBondContact CA-O 3.24Å; Q121-Y129 PolarHBondContact N-O 3.4Å; Q121-Y129 PolarHBondContact O-N 2.88Å; M127-Y129 HydrophobicContact CB-CE2 3.73Å
130E97.7Very high96Very high108 Ų10837 Ų3751%0.50519%0.188SC..EExtended strand (participates in β ladder)trans-90.8132.4166.5-170.3177.9170.100110K14 H118 I119K14-E130 IonicContact NZ-OE1 3.48Å; K14-E130 PolarHBondContact NZ-OE1 3.23Å; H118-E130 IonicContact CE1-OE1 3.73Å; H118-E130 IonicContact CG-OE1 3.89Å; H118-E130 IonicContact ND1-OE1 3.95Å; H118-E130 PolarHBondContact ND1-OE1 3.34Å; H118-E130 IonicContact ND1-OE2 3.07Å; I119-E130 WeakPolarHBondContact O-CA 3.37Å
131C96.8Very high95.9Very high32 Ų3243.4 Ų43.422%0.21622%0.217CC..EExtended strand (participates in β ladder)trans-131.2159-175.1-550000111K14 I119 M134K14-C131 WeakPolarHBondContact CE-O 3.26Å; I119-C131 WeakPolarHBondContact CB-O 3.3Å; I119-C131 PolarHBondContact O-N 2.69Å; C131-M134 HydrophobicContact CB-CB 4.13Å
132Q96.9Very high95.8Very high111 Ų11143 Ų4352%0.51922%0.216SC..SBendtrans-75.6-40.4165.6-71.3176.7-50.200111.4K14K14-Q132 WeakPolarHBondContact CG-O 3.2Å; K14-Q132 PolarHBondContact N-O 2.76Å
133A98.3Very high95.8Very high20 Ų2043 Ų4317%0.16522%0.216CC..EExtended strand (participates in β ladder)trans-147148.1172.900000109.5G12 I13 L147 F154G12-A133 CarbonylContact O-C 3.49Å; G12-A133 VanDerWaalsContact O-CA 3.23Å; G12-A133 WeakPolarHBondContact O-CA 3.4Å; I13-A133 HydrophobicContact CB-CB 4.31Å; I13-A133 HydrophobicContact CG1-CB 3.94Å; A133-L147 HydrophobicContact CB-CB 4.26Å; A133-L147 HydrophobicContact CB-CD1 4.06Å; A133-L147 HydrophobicContact CB-CD2 4.04Å; A133-L147 HydrophobicContact CB-CG 4.33Å; A133-F154 HydrophobicContact CB-CD2 4.06Å; A133-F154 HydrophobicContact CB-CE2 3.75Å
134M98.3Very high96Very high34 Ų3446 Ų4617%0.16723%0.226CC..EExtended strand (participates in β ladder)trans-155.5150.7175.6-168.446.1174.100111.7V11 G12 L108 Q121 C131 R144V11-M134 CarbonylContact C-O 3.48Å; V11-M134 WeakPolarHBondContact CA-O 3.21Å; G12-M134 PolarHBondContact N-O 2.78Å; G12-M134 PolarHBondContact O-N 3.07Å; L108-M134 WeakPolarHBondContact CD1-O 2.81Å; L108-M134 HydrophobicContact CD2-CB 4.16Å; L108-M134 HydrophobicContact CD2-CG 4.19Å; Q121-M134 HydrophobicContact CB-CG 4.23Å; Q121-M134 HydrophobicContact CG-CG 4.38Å; Q121-M134 VanDerWaalsContact OE1-CG 3.3Å; C131-M134 HydrophobicContact CB-CB 4.13Å; M134-R144 VanDerWaalsContact SD-CD 3.56Å; M134-R144 HydrophobicContact SD-CG 4.19Å
135S98.4Very high96.2Very high0 Ų048.4 Ų48.40%024%0.241CC..EExtended strand (participates in β ladder)trans-130.9137.8170.5-173.70000111.6T10 A143 R144T10-S135 VanDerWaalsContact O-CA 3.25Å; T10-S135 WeakPolarHBondContact O-CA 3.01Å; T10-S135 PolarHBondContact O-OG 3.44Å; S135-A143 WeakPolarHBondContact OG-CB 3.47Å; S135-R144 PolarHBondContact O-NH1 2.65Å
136I97.6Very high96.4Very high6 Ų646 Ų463%0.03122%0.223CC..EExtended strand (participates in β ladder)trans-130.6161.717565.6175.2000110.4V4 A9 T10 A50 G106 L108 Q121V4-I136 HydrophobicContact CG1-CB 4.2Å; A9-I136 CarbonylContact C-O 3.57Å; A9-I136 VanDerWaalsContact CA-O 3.32Å; A9-I136 WeakPolarHBondContact CA-O 3.46Å; T10-I136 HydrophobicContact CG2-CD1 4.17Å; T10-I136 HydrophobicContact CG2-CG1 3.56Å; T10-I136 PolarHBondContact N-O 2.82Å; T10-I136 PolarHBondContact O-N 2.68Å; T10-I136 VanDerWaalsContact O-N 3.09Å; A50-I136 HydrophobicContact CB-CD1 3.79Å; A50-I136 HydrophobicContact CB-CG1 3.74Å; G106-I136 VanDerWaalsContact C-CD1 3.47Å; G106-I136 WeakPolarHBondContact O-CD1 3.44Å; L108-I136 HydrophobicContact CD1-CG1 4.29Å; L108-I136 HydrophobicContact CD2-CD1 4.27Å; L108-I136 HydrophobicContact CD2-CG1 4.39Å; L108-I136 HydrophobicContact CD2-CG2 4.21Å; L108-I136 HydrophobicContact CG-CD1 3.89Å; L108-I136 HydrophobicContact CG-CG1 3.93Å; Q121-I136 HydrophobicContact CG-CG2 3.92Å
137G96.2Very high96.8Very high3 Ų346.2 Ų46.23%0.03122%0.224CC..SBendtrans102.9-169.2-176.900000113.6V4 R139 S140V4-G137 WeakPolarHBondContact O-CA 3.25Å; G137-R139 PolarHBondContact O-N 3.26Å; G137-S140 VanDerWaalsContact O-CB 3.25Å; G137-S140 WeakPolarHBondContact O-CB 3.44Å; G137-S140 PolarHBondContact O-N 2.91Å; G137-S140 PolarHBondContact O-OG 2.94Å
138S94.8Very high97Very high15 Ų1548.1 Ų48.111%0.10524%0.235CC..THydrogen-bonded Turntrans-58.8130.2-179.162.70000111.8S5 G7 R26 S140S5-S138 WeakPolarHBondContact O-CA 3.22Å; S5-S138 WeakPolarHBondContact O-CB 2.97Å; S5-S138 PolarHBondContact O-N 2.78Å; G7-S138 VanDerWaalsContact O-CB 3.32Å; G7-S138 WeakPolarHBondContact O-CB 3.44Å; G7-S138 PolarHBondContact O-N 3.48Å; G7-S138 PolarHBondContact O-OG 3.37Å; R26-S138 VanDerWaalsContact NH2-CB 3.3Å; R26-S138 PolarHBondContact NH2-OG 2.9Å; S138-S140 PolarHBondContact O-N 2.86Å; S138-S140 VanDerWaalsContact O-N 3.15Å
139R94.9Very high97Very high109 Ų10953 Ų5341%0.41125%0.254SS..THydrogen-bonded Turntrans53.727.6-178.8-63.4179.9-66.2-110-17.7113.7G137 Q141 S142 T173 P175G137-R139 PolarHBondContact O-N 3.26Å; R139-Q141 PolarHBondContact O-N 2.93Å; R139-Q141 VanDerWaalsContact O-N 3.16Å; R139-S142 PolarHBondContact O-N 2.66Å; R139-S142 PolarHBondContact O-OG 2.77Å; R139-T173 VanDerWaalsContact CZ-O 3.27Å; R139-T173 PolarHBondContact NE-O 2.89Å; R139-T173 PolarHBondContact NH2-O 3.19Å; R139-P175 VanDerWaalsContact NH1-CB 3.31Å; R139-P175 VanDerWaalsContact NH2-N 3.11Å
140S95.7Very high97Very high16 Ų1649.7 Ų49.711%0.11224%0.243CC..Hα-helixtrans-64.9-17179.751.60000114.3G137 S138 S142 A143 R144G137-S140 VanDerWaalsContact O-CB 3.25Å; G137-S140 WeakPolarHBondContact O-CB 3.44Å; G137-S140 PolarHBondContact O-N 2.91Å; G137-S140 PolarHBondContact O-OG 2.94Å; S138-S140 PolarHBondContact O-N 2.86Å; S138-S140 VanDerWaalsContact O-N 3.15Å; S140-S142 PolarHBondContact O-N 2.79Å; S140-A143 PolarHBondContact O-N 2.89Å; S140-R144 VanDerWaalsContact CB-NH1 3.31Å; S140-R144 WeakPolarHBondContact O-CG 3.36Å; S140-R144 PolarHBondContact O-N 2.77Å; S140-R144 PolarHBondContact O-NH1 3.36Å; S140-R144 PolarHBondContact OG-NH1 2.86Å
141Q96.3Very high96.9Very high137 Ų13746.5 Ų46.564%0.6423%0.23SC*.Hα-helixtrans-63.7-37.6176.7-175.5177.6-1.400112.7R139 R144 T145R139-Q141 PolarHBondContact O-N 2.93Å; R139-Q141 VanDerWaalsContact O-N 3.16Å; Q141-R144 PolarHBondContact O-N 3.12Å; Q141-T145 PolarHBondContact O-N 2.67Å; Q141-T145 PolarHBondContact O-OG1 3.36Å
142S95.7Very high96.9Very high10 Ų1052.1 Ų52.17%0.0726%0.258CS..Hα-helixtrans-67.6-40.2177.3560000111.5R139 S140 T145 Y146 E172R139-S142 PolarHBondContact O-N 2.66Å; R139-S142 PolarHBondContact O-OG 2.77Å; S140-S142 PolarHBondContact O-N 2.79Å; S142-T145 WeakPolarHBondContact O-CB 3.26Å; S142-T145 PolarHBondContact O-N 3.34Å; S142-Y146 PolarHBondContact O-N 2.92Å; S142-E172 WeakPolarHBondContact CB-O 3.48Å; S142-E172 VanDerWaalsContact OG-C 3.23Å; S142-E172 PolarHBondContact OG-O 2.82Å
143A97.3Very high96.8Very high0 Ų051.3 Ų51.30%025%0.254CS..Hα-helixtrans-59.7-46.7170.800000112V11 S135 S140 T145 Y146 L147 A169 T173V11-A143 HydrophobicContact CG2-CB 4.17Å; S135-A143 WeakPolarHBondContact OG-CB 3.47Å; S140-A143 PolarHBondContact O-N 2.89Å; A143-T145 VanDerWaalsContact C-N 3.3Å; A143-T145 PolarHBondContact O-N 3.25Å; A143-Y146 WeakPolarHBondContact O-CB 3.37Å; A143-Y146 PolarHBondContact O-N 2.77Å; A143-Y146 VanDerWaalsContact O-N 3.14Å; A143-L147 VanDerWaalsContact O-CG 3.29Å; A143-L147 WeakPolarHBondContact O-CG 3.46Å; A143-L147 PolarHBondContact O-N 2.9Å; A143-A169 WeakPolarHBondContact CA-O 3.45Å; A143-A169 HydrophobicContact CB-CB 4.25Å; A143-A169 VanDerWaalsContact CB-O 3.26Å; A143-A169 WeakPolarHBondContact CB-O 3.39Å; A143-T173 HydrophobicContact CB-CG2 3.45Å; A143-T173 VanDerWaalsContact CB-CG2 3.45Å
144R97.9Very high96.7Very high72 Ų7250.4 Ų50.427%0.27225%0.247SC..Hα-helixtrans-60.4-40.8177-72.1-170.6-59.9-84.1-1.5112M134 S135 S140 Q141 Y146 L147 D148M134-R144 VanDerWaalsContact SD-CD 3.56Å; M134-R144 HydrophobicContact SD-CG 4.19Å; S135-R144 PolarHBondContact O-NH1 2.65Å; S140-R144 VanDerWaalsContact CB-NH1 3.31Å; S140-R144 WeakPolarHBondContact O-CG 3.36Å; S140-R144 PolarHBondContact O-N 2.77Å; S140-R144 PolarHBondContact O-NH1 3.36Å; S140-R144 PolarHBondContact OG-NH1 2.86Å; Q141-R144 PolarHBondContact O-N 3.12Å; R144-Y146 VanDerWaalsContact C-N 3.28Å; R144-Y146 PolarHBondContact O-N 2.92Å; R144-L147 PolarHBondContact O-N 2.85Å; R144-D148 WeakPolarHBondContact O-CB 3.45Å; R144-D148 PolarHBondContact O-N 2.84Å
145T97.7Very high96.5Very high64 Ų6450.4 Ų50.439%0.39325%0.252SS..Hα-helixtrans-60-39175.5-52.90000112.1Q141 S142 A143 K149Q141-T145 PolarHBondContact O-N 2.67Å; Q141-T145 PolarHBondContact O-OG1 3.36Å; S142-T145 WeakPolarHBondContact O-CB 3.26Å; S142-T145 PolarHBondContact O-N 3.34Å; A143-T145 VanDerWaalsContact C-N 3.3Å; A143-T145 PolarHBondContact O-N 3.25Å; T145-K149 VanDerWaalsContact O-CG 3.31Å; T145-K149 WeakPolarHBondContact O-CG 3.44Å; T145-K149 PolarHBondContact O-N 2.78Å
146Y97.3Very high96.3Very high13 Ų1356 Ų565%0.05129%0.287CS..Hα-helixtrans-64.6-47.6172.1175.5-80.5000111.1S142 A143 R144 K149 H150 H165 L168 A169 L217S142-Y146 PolarHBondContact O-N 2.92Å; A143-Y146 WeakPolarHBondContact O-CB 3.37Å; A143-Y146 PolarHBondContact O-N 2.77Å; A143-Y146 VanDerWaalsContact O-N 3.14Å; R144-Y146 VanDerWaalsContact C-N 3.28Å; R144-Y146 PolarHBondContact O-N 2.92Å; Y146-K149 PolarHBondContact O-N 3Å; Y146-H150 AromaticContact CD2-CE1 3.89Å; Y146-H150 AromaticContact CE1-ND1 3.93Å; Y146-H150 AromaticContact CE2-CE1 3.52Å; Y146-H150 AromaticContact CE2-ND1 3.9Å; Y146-H150 AromaticContact CZ-CE1 3.76Å; Y146-H150 AromaticContact CZ-ND1 3.78Å; Y146-H150 PolarHBondContact O-N 3.39Å; Y146-H150 PolarHBondContact O-ND1 2.93Å; Y146-H165 HydrophobicContact CE1-CB 4.17Å; Y146-H165 AromaticContact CE1-ND1 3.8Å; Y146-H165 WeakPolarHBondContact CE1-O 3.49Å; Y146-H165 AromaticContact CZ-ND1 3.75Å; Y146-H165 PolarHBondContact OH-ND1 3.17Å; Y146-L168 HydrophobicContact CD2-CB 4.42Å; Y146-L168 HydrophobicContact CE1-CB 4.05Å; Y146-L168 HydrophobicContact CE2-CB 3.7Å; Y146-L168 HydrophobicContact CE2-CD1 4.36Å; Y146-L168 VanDerWaalsContact CZ-CB 3.5Å; Y146-L168 WeakPolarHBondContact OH-CD1 3.3Å; Y146-A169 HydrophobicContact CD1-CB 3.56Å; Y146-A169 HydrophobicContact CE1-CB 4.2Å; Y146-A169 HydrophobicContact CG-CB 4.18Å; Y146-L217 HydrophobicContact CD2-CD1 3.52Å; Y146-L217 HydrophobicContact CD2-CG 4.18Å; Y146-L217 HydrophobicContact CE2-CD1 4.48Å; Y146-L217 HydrophobicContact CG-CD1 4.18Å
147L98.1Very high96.1Very high4 Ų456.7 Ų56.72%0.02129%0.291CS..Hα-helixtrans-62.3-44.9-177-66.6169.1000111.7V11 I13 A133 A143 R144 K149 H150 V151 F154 A169V11-L147 HydrophobicContact CG1-CD1 4.01Å; V11-L147 HydrophobicContact CG1-CD2 4.24Å; I13-L147 HydrophobicContact CD1-CD2 4.11Å; A133-L147 HydrophobicContact CB-CB 4.26Å; A133-L147 HydrophobicContact CB-CD1 4.06Å; A133-L147 HydrophobicContact CB-CD2 4.04Å; A133-L147 HydrophobicContact CB-CG 4.33Å; A143-L147 VanDerWaalsContact O-CG 3.29Å; A143-L147 WeakPolarHBondContact O-CG 3.46Å; A143-L147 PolarHBondContact O-N 2.9Å; R144-L147 PolarHBondContact O-N 2.85Å; L147-K149 VanDerWaalsContact C-N 3.26Å; L147-K149 PolarHBondContact O-N 2.98Å; L147-H150 CarbonylContact O-C 3.54Å; L147-H150 PolarHBondContact O-N 3.2Å; L147-H150 VanDerWaalsContact O-N 3.12Å; L147-V151 PolarHBondContact O-N 3.09Å; L147-F154 HydrophobicContact CB-CE2 4.38Å; L147-F154 HydrophobicContact CB-CZ 4.43Å; L147-F154 HydrophobicContact CD2-CE2 4.12Å; L147-F154 HydrophobicContact CD2-CZ 3.88Å; L147-F154 WeakPolarHBondContact O-CZ 3.47Å; L147-A169 HydrophobicContact CD1-CB 4.49Å; L147-A169 HydrophobicContact CD2-CB 3.75Å; L147-A169 HydrophobicContact CG-CB 3.89Å
148D97.3Very high96.1Very high115 Ų11559.1 Ų59.162%0.61531%0.308SS*.Hα-helixtrans-61-36179.7-66.9-24.3000111.7R144 H150 V151R144-D148 WeakPolarHBondContact O-CB 3.45Å; R144-D148 PolarHBondContact O-N 2.84Å; D148-H150 VanDerWaalsContact C-N 3.28Å; D148-H150 PolarHBondContact O-N 3.44Å; D148-V151 WeakPolarHBondContact O-CG1 3.4Å
149K96.9Very high96.2Very high134 Ų13460.8 Ų60.858%0.58332%0.316SS*.Hα-helixtrans-68.8-23.3178.1-74.9176.2-179.3-175.10114.2T145 Y146 L147 L217T145-K149 VanDerWaalsContact O-CG 3.31Å; T145-K149 WeakPolarHBondContact O-CG 3.44Å; T145-K149 PolarHBondContact O-N 2.78Å; Y146-K149 PolarHBondContact O-N 3Å; L147-K149 VanDerWaalsContact C-N 3.26Å; L147-K149 PolarHBondContact O-N 2.98Å; K149-L217 HydrophobicContact CD-CD1 4.46Å
150H96.4Very high96.2Very high41 Ų4161.1 Ų61.119%0.1932%0.322CS..THydrogen-bonded Turntrans-118.913.1-175-56.283.1000112Y146 L147 D148 D152 E153 F154 H165Y146-H150 AromaticContact CD2-CE1 3.89Å; Y146-H150 AromaticContact CE1-ND1 3.93Å; Y146-H150 AromaticContact CE2-CE1 3.52Å; Y146-H150 AromaticContact CE2-ND1 3.9Å; Y146-H150 AromaticContact CZ-CE1 3.76Å; Y146-H150 AromaticContact CZ-ND1 3.78Å; Y146-H150 PolarHBondContact O-N 3.39Å; Y146-H150 PolarHBondContact O-ND1 2.93Å; L147-H150 CarbonylContact O-C 3.54Å; L147-H150 PolarHBondContact O-N 3.2Å; L147-H150 VanDerWaalsContact O-N 3.12Å; D148-H150 VanDerWaalsContact C-N 3.28Å; D148-H150 PolarHBondContact O-N 3.44Å; H150-D152 PolarHBondContact O-N 3.19Å; H150-E153 IonicContact CD2-OE1 2.83Å; H150-E153 PolarHBondContact CD2-OE1 3.37Å; H150-E153 IonicContact CD2-OE2 3.88Å; H150-E153 WeakPolarHBondContact O-CB 3.22Å; H150-E153 PolarHBondContact O-N 3.4Å; H150-F154 HydrophobicContact CB-CE1 3.68Å; H150-F154 HydrophobicContact CB-CZ 3.88Å; H150-F154 VanDerWaalsContact O-CD1 3.29Å; H150-F154 WeakPolarHBondContact O-CD1 3.47Å; H150-F154 WeakPolarHBondContact O-CE1 3.3Å; H150-F154 WeakPolarHBondContact O-CZ 3.39Å; H150-H165 AromaticContact CD2-CE1 3.92Å
151V95.9Very high96.3Very high40 Ų4063.2 Ų63.224%0.24233%0.332CS..Hα-helixtrans-59.3-35.2-170.169.10000113L147 D148 E153 F154L147-V151 PolarHBondContact O-N 3.09Å; D148-V151 WeakPolarHBondContact O-CG1 3.4Å; V151-E153 PolarHBondContact O-N 2.92Å; V151-F154 HydrophobicContact CB-CE2 4.37Å; V151-F154 HydrophobicContact CG2-CD2 4.39Å; V151-F154 HydrophobicContact CG2-CE2 4.48Å; V151-F154 PolarHBondContact O-N 2.7Å
152D96.2Very high96.4Very high150 Ų15056.7 Ų56.780%0.80230%0.302SS*.Hα-helixtrans-70.4-20.8-179-62.5-40.1000112.8H150H150-D152 PolarHBondContact O-N 3.19Å
153E95.6Very high96.5Very high94 Ų9456.2 Ų56.244%0.43930%0.298SS..Hα-helixtrans-79.8-28.4-178.8-60.3173.4-147.100111.9H150 V151 A155 T156 C157 H165H150-E153 IonicContact CD2-OE1 2.83Å; H150-E153 PolarHBondContact CD2-OE1 3.37Å; H150-E153 IonicContact CD2-OE2 3.88Å; H150-E153 WeakPolarHBondContact O-CB 3.22Å; H150-E153 PolarHBondContact O-N 3.4Å; V151-E153 PolarHBondContact O-N 2.92Å; E153-A155 PolarHBondContact O-N 3.3Å; E153-T156 PolarHBondContact O-N 3.13Å; E153-C157 WeakPolarHBondContact O-CB 2.84Å; E153-C157 PolarHBondContact O-N 3.43Å; E153-C157 VanDerWaalsContact O-N 3.14Å; E153-H165 IonicContact OE2-CE1 3.29Å; E153-H165 PolarHBondContact OE2-CE1 3Å; E153-H165 VanDerWaalsContact OE2-CE1 3.29Å; E153-H165 IonicContact OE2-NE2 3.39Å; E153-H165 PolarHBondContact OE2-NE2 3.25Å
154F96.6Very high96.5Very high2 Ų259 Ų591%0.00931%0.31CS..Hα-helixtrans-65.8-37.1-166.6-57.4-22.5000113.4I13 N15 A133 L147 H150 V151 T156 C157 L162 H165I13-F154 HydrophobicContact CD1-CD1 3.68Å; I13-F154 HydrophobicContact CD1-CD2 3.84Å; I13-F154 HydrophobicContact CD1-CE1 3.66Å; I13-F154 HydrophobicContact CD1-CE2 3.82Å; I13-F154 HydrophobicContact CD1-CG 3.78Å; I13-F154 HydrophobicContact CD1-CZ 3.73Å; I13-F154 HydrophobicContact CG1-CD2 3.97Å; I13-F154 HydrophobicContact CG1-CE2 4.22Å; I13-F154 HydrophobicContact CG1-CG 4.13Å; N15-F154 VanDerWaalsContact CA-O 3.26Å; N15-F154 WeakPolarHBondContact CA-O 3.43Å; N15-F154 WeakPolarHBondContact CB-O 3.5Å; A133-F154 HydrophobicContact CB-CD2 4.06Å; A133-F154 HydrophobicContact CB-CE2 3.75Å; L147-F154 HydrophobicContact CB-CE2 4.38Å; L147-F154 HydrophobicContact CB-CZ 4.43Å; L147-F154 HydrophobicContact CD2-CE2 4.12Å; L147-F154 HydrophobicContact CD2-CZ 3.88Å; L147-F154 WeakPolarHBondContact O-CZ 3.47Å; H150-F154 HydrophobicContact CB-CE1 3.68Å; H150-F154 HydrophobicContact CB-CZ 3.88Å; H150-F154 VanDerWaalsContact O-CD1 3.29Å; H150-F154 WeakPolarHBondContact O-CD1 3.47Å; H150-F154 WeakPolarHBondContact O-CE1 3.3Å; H150-F154 WeakPolarHBondContact O-CZ 3.39Å; V151-F154 HydrophobicContact CB-CE2 4.37Å; V151-F154 HydrophobicContact CG2-CD2 4.39Å; V151-F154 HydrophobicContact CG2-CE2 4.48Å; V151-F154 PolarHBondContact O-N 2.7Å; F154-T156 VanDerWaalsContact C-N 3.25Å; F154-T156 PolarHBondContact O-N 3.27Å; F154-C157 PolarHBondContact O-SG 3.11Å; F154-C157 VanDerWaalsContact O-SG 3.39Å; F154-L162 HydrophobicContact CB-CD1 4.2Å; F154-H165 HydrophobicContact CD1-CB 4.49Å; F154-H165 HydrophobicContact CE1-CB 3.89Å; F154-H165 AromaticContact CE1-CD2 3.97Å; F154-H165 AromaticContact CE1-CG 3.67Å; F154-H165 AromaticContact CE1-ND1 3.88Å
155A94.2Very high96.4Very high34 Ų3456.5 Ų56.528%0.28130%0.301SS..THydrogen-bonded Turntrans-60.4-37.5-174.300000112.4Q16 E153Q16-A155 VanDerWaalsContact CG-O 3.31Å; Q16-A155 WeakPolarHBondContact CG-O 3.46Å; Q16-A155 PolarHBondContact N-O 3.19Å; E153-A155 PolarHBondContact O-N 3.3Å
156T93.2Very high96.5Very high118 Ų11853.4 Ų53.472%0.72428%0.283SS*.THydrogen-bonded Turntrans-106.2-9.5-173.551.60000114.2E153 F154E153-T156 PolarHBondContact O-N 3.13Å; F154-T156 VanDerWaalsContact C-N 3.25Å; F154-T156 PolarHBondContact O-N 3.27Å
157C94Very high96.5Very high19 Ų1952.8 Ų52.813%0.12828%0.28CS..SBendtrans-69.1154.3-176.476.40000112.1N15 E153 F154 D161 L162N15-C157 PolarHBondContact ND2-O 2.97Å; E153-C157 WeakPolarHBondContact O-CB 2.84Å; E153-C157 PolarHBondContact O-N 3.43Å; E153-C157 VanDerWaalsContact O-N 3.14Å; F154-C157 PolarHBondContact O-SG 3.11Å; F154-C157 VanDerWaalsContact O-SG 3.39Å; C157-D161 HydrophobicContact CB-CB 4.2Å; C157-L162 VanDerWaalsContact SG-CD1 3.53Å
158S96.7Very high96.4Very high54 Ų5453.2 Ų53.238%0.37828%0.283SS..  trans-62.5159.3173.777.20000110.9E160 D161 L162S158-E160 PolarHBondContact O-N 3.19Å; S158-D161 PolarHBondContact O-N 3.5Å; S158-D161 WeakPolarHBondContact OG-CB 3.44Å; S158-D161 PolarHBondContact OG-N 2.83Å; S158-D161 VanDerWaalsContact OG-N 3.08Å; S158-D161 PolarHBondContact OG-OD2 2.89Å; S158-L162 WeakPolarHBondContact O-CB 3.4Å; S158-L162 PolarHBondContact O-N 3.06Å
159N95.9Very high96.4Very high50 Ų5047.8 Ų47.827%0.26725%0.253SS..Hα-helixtrans-60-36.1175.4-68.1-8.7000111.8N15 H18 L162 V163N15-N159 PolarHBondContact ND2-OD1 2.71Å; H18-N159 PolarHBondContact CD2-ND2 3.14Å; H18-N159 PolarHBondContact CE1-ND2 2.92Å; H18-N159 PolarHBondContact ND1-ND2 3.44Å; H18-N159 PolarHBondContact ND1-OD1 3.18Å; H18-N159 VanDerWaalsContact ND1-OD1 3.11Å; H18-N159 PolarHBondContact NE2-ND2 2.84Å; N159-L162 WeakPolarHBondContact O-CB 3.25Å; N159-L162 PolarHBondContact O-N 3.39Å; N159-V163 WeakPolarHBondContact O-CG2 3.43Å; N159-V163 PolarHBondContact O-N 2.76Å
160E95.9Very high96.5Very high117 Ų11741.4 Ų41.455%0.54723%0.226SC..Hα-helixtrans-65.8-44178.1-64.1-176.6-17800111.6S158 L162 V163 K164 Y207S158-E160 PolarHBondContact O-N 3.19Å; E160-L162 VanDerWaalsContact C-N 3.32Å; E160-V163 PolarHBondContact O-N 3.07Å; E160-K164 WeakPolarHBondContact O-CG 3.2Å; E160-K164 PolarHBondContact O-N 2.79Å; E160-Y207 HydrophobicContact CB-CE1 4.17Å; E160-Y207 HydrophobicContact CG-CE1 4.33Å
161D96.7Very high96.4Very high60 Ų6041.4 Ų41.432%0.32122%0.224SC..Hα-helixtrans-69.8-33.5177.7-59.5-39000111.5C157 S158 V163 K164 H165C157-D161 HydrophobicContact CB-CB 4.2Å; S158-D161 PolarHBondContact O-N 3.5Å; S158-D161 WeakPolarHBondContact OG-CB 3.44Å; S158-D161 PolarHBondContact OG-N 2.83Å; S158-D161 VanDerWaalsContact OG-N 3.08Å; S158-D161 PolarHBondContact OG-OD2 2.89Å; D161-V163 VanDerWaalsContact C-N 3.35Å; D161-V163 PolarHBondContact O-N 3.29Å; D161-K164 WeakPolarHBondContact O-CB 3.09Å; D161-K164 PolarHBondContact O-N 3.38Å; D161-K164 VanDerWaalsContact O-N 3.11Å; D161-K164 IonicContact OD1-NZ 3.9Å; D161-K164 PolarHBondContact OD1-NZ 2.8Å; D161-H165 PolarHBondContact O-CD2 2.68Å; D161-H165 PolarHBondContact O-N 3.34Å
162L97.9Very high96.4Very high0 Ų040.2 Ų40.20%022%0.216CC..Hα-helixtrans-60.7-43.3172.6-164.171.6000111.3I13 N15 I20 F154 C157 S158 N159 E160 K164 H165 G166I13-L162 HydrophobicContact CD1-CD1 3.69Å; I13-L162 HydrophobicContact CD1-CG 4.41Å; I13-L162 HydrophobicContact CG1-CD1 3.67Å; I13-L162 HydrophobicContact CG1-CG 4.35Å; I13-L162 HydrophobicContact CG2-CD1 4.29Å; I13-L162 HydrophobicContact CG2-CG 4.02Å; N15-L162 HydrophobicContact CB-CD1 4.16Å; N15-L162 HydrophobicContact CB-CD2 3.93Å; I20-L162 HydrophobicContact CD1-CB 3.77Å; I20-L162 HydrophobicContact CD1-CD2 3.53Å; I20-L162 HydrophobicContact CD1-CG 3.73Å; I20-L162 HydrophobicContact CG1-CD2 3.87Å; I20-L162 HydrophobicContact CG1-CG 4.42Å; F154-L162 HydrophobicContact CB-CD1 4.2Å; C157-L162 VanDerWaalsContact SG-CD1 3.53Å; S158-L162 WeakPolarHBondContact O-CB 3.4Å; S158-L162 PolarHBondContact O-N 3.06Å; N159-L162 WeakPolarHBondContact O-CB 3.25Å; N159-L162 PolarHBondContact O-N 3.39Å; E160-L162 VanDerWaalsContact C-N 3.32Å; L162-K164 VanDerWaalsContact C-N 3.34Å; L162-H165 PolarHBondContact O-N 3.11Å; L162-G166 PolarHBondContact O-N 3.01Å
163V98.2Very high96.3Very high0 Ų033.2 Ų33.20%018%0.178CC..Hα-helixtrans-60.6-44.1172178.10000110.5I20 N159 E160 D161 G166 L167 I187 I189 Y207I20-V163 HydrophobicContact CD1-CB 4.4Å; I20-V163 HydrophobicContact CD1-CG2 3.54Å; I20-V163 HydrophobicContact CG2-CG2 4.41Å; N159-V163 WeakPolarHBondContact O-CG2 3.43Å; N159-V163 PolarHBondContact O-N 2.76Å; E160-V163 PolarHBondContact O-N 3.07Å; D161-V163 VanDerWaalsContact C-N 3.35Å; D161-V163 PolarHBondContact O-N 3.29Å; V163-G166 PolarHBondContact O-N 3.2Å; V163-L167 HydrophobicContact CG1-CD1 3.87Å; V163-L167 HydrophobicContact CG1-CG 4.27Å; V163-L167 WeakPolarHBondContact O-CG 3.08Å; V163-L167 PolarHBondContact O-N 3.48Å; V163-I187 HydrophobicContact CG1-CD1 3.97Å; V163-I187 HydrophobicContact CG1-CG2 4.12Å; V163-I189 HydrophobicContact CG2-CD1 3.74Å; V163-I189 HydrophobicContact CG2-CG1 4.5Å; V163-Y207 HydrophobicContact CB-CD1 3.85Å; V163-Y207 HydrophobicContact CB-CE1 3.74Å; V163-Y207 HydrophobicContact CB-CG 4.4Å; V163-Y207 HydrophobicContact CG1-CD1 3.54Å; V163-Y207 HydrophobicContact CG1-CD2 3.99Å; V163-Y207 HydrophobicContact CG1-CE1 3.87Å; V163-Y207 HydrophobicContact CG1-CE2 4.3Å; V163-Y207 HydrophobicContact CG1-CG 3.61Å; V163-Y207 HydrophobicContact CG2-CD1 4.46Å; V163-Y207 HydrophobicContact CG2-CE1 3.95Å; V163-Y207 HydrophobicContact CG2-CE2 4.36Å
164K97.1Very high96.2Very high57 Ų5729.8 Ų29.825%0.24816%0.163CC..Hα-helixtrans-60.9-47.1179.4-68172.2-159.8156.20111.6E160 D161 L162 G166 L167 L168 I211E160-K164 WeakPolarHBondContact O-CG 3.2Å; E160-K164 PolarHBondContact O-N 2.79Å; D161-K164 WeakPolarHBondContact O-CB 3.09Å; D161-K164 PolarHBondContact O-N 3.38Å; D161-K164 VanDerWaalsContact O-N 3.11Å; D161-K164 IonicContact OD1-NZ 3.9Å; D161-K164 PolarHBondContact OD1-NZ 2.8Å; L162-K164 VanDerWaalsContact C-N 3.34Å; K164-G166 VanDerWaalsContact C-N 3.3Å; K164-G166 PolarHBondContact O-N 3.01Å; K164-L167 PolarHBondContact O-N 3.13Å; K164-L168 WeakPolarHBondContact O-CB 3.47Å; K164-L168 VanDerWaalsContact O-CG 3.27Å; K164-L168 WeakPolarHBondContact O-CG 3.15Å; K164-L168 PolarHBondContact O-N 2.9Å; K164-I211 HydrophobicContact CB-CG2 4Å; K164-I211 HydrophobicContact CG-CG2 3.98Å
165H97.5Very high95.9Very high20 Ų2032 Ų329%0.09318%0.178CC..Hα-helixtrans-58.4-43.4174.2-75.5-67.5000111.6I13 Y146 H150 E153 F154 D161 L162 L167 L168 A169I13-H165 HydrophobicContact CD1-CB 3.87Å; Y146-H165 HydrophobicContact CE1-CB 4.17Å; Y146-H165 AromaticContact CE1-ND1 3.8Å; Y146-H165 WeakPolarHBondContact CE1-O 3.49Å; Y146-H165 AromaticContact CZ-ND1 3.75Å; Y146-H165 PolarHBondContact OH-ND1 3.17Å; H150-H165 AromaticContact CD2-CE1 3.92Å; E153-H165 IonicContact OE2-CE1 3.29Å; E153-H165 PolarHBondContact OE2-CE1 3Å; E153-H165 VanDerWaalsContact OE2-CE1 3.29Å; E153-H165 IonicContact OE2-NE2 3.39Å; E153-H165 PolarHBondContact OE2-NE2 3.25Å; F154-H165 HydrophobicContact CD1-CB 4.49Å; F154-H165 HydrophobicContact CE1-CB 3.89Å; F154-H165 AromaticContact CE1-CD2 3.97Å; F154-H165 AromaticContact CE1-CG 3.67Å; F154-H165 AromaticContact CE1-ND1 3.88Å; D161-H165 PolarHBondContact O-CD2 2.68Å; D161-H165 PolarHBondContact O-N 3.34Å; L162-H165 PolarHBondContact O-N 3.11Å; H165-L167 VanDerWaalsContact C-N 3.34Å; H165-L167 PolarHBondContact O-N 3.49Å; H165-L168 PolarHBondContact O-N 3.46Å; H165-A169 VanDerWaalsContact O-CB 3.29Å; H165-A169 WeakPolarHBondContact O-CB 3.16Å; H165-A169 PolarHBondContact O-N 3.33Å
166G98.1Very high95.4Very high0 Ų034.9 Ų34.90%020%0.196CC..Hα-helixtrans-59.1-42.4175.500000113L162 V163 K164 L170L162-G166 PolarHBondContact O-N 3.01Å; V163-G166 PolarHBondContact O-N 3.2Å; K164-G166 VanDerWaalsContact C-N 3.3Å; K164-G166 PolarHBondContact O-N 3.01Å; G166-L170 VanDerWaalsContact O-CB 3.26Å; G166-L170 WeakPolarHBondContact O-CB 3.34Å; G166-L170 PolarHBondContact O-N 3.06Å
167L98.1Very high95Very high0 Ų033.5 Ų33.50%021%0.205CC..Hα-helixtrans-72.1-40.7177.5-72169.2000112.9V22 V163 K164 H165 L170 R171 L180 T185 I187 L208 I211V22-L167 HydrophobicContact CG1-CD2 3.5Å; V22-L167 VanDerWaalsContact CG1-CD2 3.5Å; V22-L167 HydrophobicContact CG1-CG 4.17Å; V163-L167 HydrophobicContact CG1-CD1 3.87Å; V163-L167 HydrophobicContact CG1-CG 4.27Å; V163-L167 WeakPolarHBondContact O-CG 3.08Å; V163-L167 PolarHBondContact O-N 3.48Å; K164-L167 PolarHBondContact O-N 3.13Å; H165-L167 VanDerWaalsContact C-N 3.34Å; H165-L167 PolarHBondContact O-N 3.49Å; L167-L170 PolarHBondContact O-N 3.03Å; L167-R171 WeakPolarHBondContact O-CB 3.49Å; L167-R171 PolarHBondContact O-N 2.86Å; L167-L180 HydrophobicContact CB-CD1 4.48Å; L167-L180 HydrophobicContact CD2-CD1 4.11Å; L167-T185 HydrophobicContact CD2-CG2 3.62Å; L167-I187 HydrophobicContact CD1-CD1 4.03Å; L167-I187 HydrophobicContact CD2-CD1 4.02Å; L167-I187 HydrophobicContact CD2-CG1 4.3Å; L167-I187 HydrophobicContact CG-CD1 4.33Å; L167-L208 HydrophobicContact CD2-CD2 4.13Å; L167-I211 HydrophobicContact CB-CD1 3.71Å; L167-I211 HydrophobicContact CD1-CD1 4.48Å
168L96.8Very high94.7Very high13 Ų1336.7 Ų36.77%0.06822%0.22CC..Hα-helixtrans-63.1-46176.3-71.8170.8000110.6Y146 K164 H165 L170 R171 E172 I211 V214Y146-L168 HydrophobicContact CD2-CB 4.42Å; Y146-L168 HydrophobicContact CE1-CB 4.05Å; Y146-L168 HydrophobicContact CE2-CB 3.7Å; Y146-L168 HydrophobicContact CE2-CD1 4.36Å; Y146-L168 VanDerWaalsContact CZ-CB 3.5Å; Y146-L168 WeakPolarHBondContact OH-CD1 3.3Å; K164-L168 WeakPolarHBondContact O-CB 3.47Å; K164-L168 VanDerWaalsContact O-CG 3.27Å; K164-L168 WeakPolarHBondContact O-CG 3.15Å; K164-L168 PolarHBondContact O-N 2.9Å; H165-L168 PolarHBondContact O-N 3.46Å; L168-L170 VanDerWaalsContact C-N 3.34Å; L168-L170 PolarHBondContact O-N 3.32Å; L168-R171 WeakPolarHBondContact O-CB 3.3Å; L168-R171 PolarHBondContact O-N 3.04Å; L168-E172 PolarHBondContact O-N 2.98Å; L168-I211 HydrophobicContact CD2-CB 3.98Å; L168-I211 HydrophobicContact CD2-CG2 4.26Å; L168-I211 HydrophobicContact CG-CB 4.39Å; L168-I211 HydrophobicContact CG-CG2 4.12Å; L168-V214 HydrophobicContact CD1-CG1 4.16Å; L168-V214 HydrophobicContact CD2-CB 3.83Å; L168-V214 HydrophobicContact CD2-CG1 3.77Å; L168-V214 HydrophobicContact CD2-CG2 4.39Å
169A97.5Very high94.5Very high0 Ų039.1 Ų39.10%023%0.233CC..Hα-helixtrans-58.1-46.4171.800000111.5V11 A143 Y146 L147 H165 R171 E172V11-A169 HydrophobicContact CG1-CB 4.3Å; V11-A169 HydrophobicContact CG2-CB 4.19Å; A143-A169 WeakPolarHBondContact CA-O 3.45Å; A143-A169 HydrophobicContact CB-CB 4.25Å; A143-A169 VanDerWaalsContact CB-O 3.26Å; A143-A169 WeakPolarHBondContact CB-O 3.39Å; Y146-A169 HydrophobicContact CD1-CB 3.56Å; Y146-A169 HydrophobicContact CE1-CB 4.2Å; Y146-A169 HydrophobicContact CG-CB 4.18Å; L147-A169 HydrophobicContact CD1-CB 4.49Å; L147-A169 HydrophobicContact CD2-CB 3.75Å; L147-A169 HydrophobicContact CG-CB 3.89Å; H165-A169 VanDerWaalsContact O-CB 3.29Å; H165-A169 WeakPolarHBondContact O-CB 3.16Å; H165-A169 PolarHBondContact O-N 3.33Å; A169-R171 VanDerWaalsContact C-N 3.31Å; A169-R171 PolarHBondContact O-N 3.34Å; A169-E172 WeakPolarHBondContact O-CB 3.49Å; A169-E172 PolarHBondContact O-N 3.11Å
170L97.5Very high94.4Very high0 Ų037.9 Ų37.90%023%0.226CC..Hα-helixtrans-63.7-37.8-179.3-169.669.8000112A9 V11 V22 V24 G166 L167 L168 E172 T173 L180A9-L170 HydrophobicContact CB-CD1 4Å; V11-L170 HydrophobicContact CG2-CB 4.15Å; V11-L170 HydrophobicContact CG2-CD1 3.93Å; V22-L170 HydrophobicContact CB-CD2 4.16Å; V22-L170 HydrophobicContact CG1-CB 4.33Å; V22-L170 HydrophobicContact CG1-CD2 3.35Å; V22-L170 HydrophobicContact CG1-CG 4.41Å; V24-L170 HydrophobicContact CG2-CD1 3.79Å; V24-L170 HydrophobicContact CG2-CD2 3.71Å; V24-L170 HydrophobicContact CG2-CG 3.63Å; G166-L170 VanDerWaalsContact O-CB 3.26Å; G166-L170 WeakPolarHBondContact O-CB 3.34Å; G166-L170 PolarHBondContact O-N 3.06Å; L167-L170 PolarHBondContact O-N 3.03Å; L168-L170 VanDerWaalsContact C-N 3.34Å; L168-L170 PolarHBondContact O-N 3.32Å; L170-E172 VanDerWaalsContact C-N 3.27Å; L170-E172 PolarHBondContact O-N 2.98Å; L170-T173 WeakPolarHBondContact O-CB 3.33Å; L170-T173 PolarHBondContact O-N 3.11Å; L170-T173 PolarHBondContact O-OG1 3.26Å; L170-L180 HydrophobicContact CD2-CD2 4.07Å; L170-L180 HydrophobicContact CG-CD2 4.38Å
171R95.4Very high94.4Very high41 Ų4134.3 Ų34.316%0.15521%0.214CC..Hα-helixtrans-59.7-37.5178-173.3-177.463.9174.56.8111.8L167 L168 A169 T173 L174 L180 I211 V214 P215 L216L167-R171 WeakPolarHBondContact O-CB 3.49Å; L167-R171 PolarHBondContact O-N 2.86Å; L168-R171 WeakPolarHBondContact O-CB 3.3Å; L168-R171 PolarHBondContact O-N 3.04Å; A169-R171 VanDerWaalsContact C-N 3.31Å; A169-R171 PolarHBondContact O-N 3.34Å; R171-T173 PolarHBondContact O-N 3.33Å; R171-T173 VanDerWaalsContact O-N 3.08Å; R171-L174 WeakPolarHBondContact O-CB 3.31Å; R171-L174 PolarHBondContact O-N 3.05Å; R171-L174 VanDerWaalsContact O-N 3.1Å; R171-L180 HydrophobicContact CB-CD1 3.96Å; R171-L180 HydrophobicContact CB-CG 4.45Å; R171-I211 PolarHBondContact NH1-O 2.94Å; R171-V214 PolarHBondContact NH1-O 3.13Å; R171-V214 PolarHBondContact NH2-O 3.36Å; R171-V214 VanDerWaalsContact NH2-O 3.09Å; R171-P215 PolarHBondContact NH2-O 3.16Å; R171-L216 HydrophobicContact CG-CD2 3.88Å; R171-L216 VanDerWaalsContact NE-CD2 3.27Å
172E94.5Very high94.3Very high16 Ų1633 Ų338%0.07521%0.208CC..THydrogen-bonded Turntrans-62.5-15.1175.9-62.8-62.3145.800113S142 L168 A169 L170 L216 L217S142-E172 WeakPolarHBondContact CB-O 3.48Å; S142-E172 VanDerWaalsContact OG-C 3.23Å; S142-E172 PolarHBondContact OG-O 2.82Å; L168-E172 PolarHBondContact O-N 2.98Å; A169-E172 WeakPolarHBondContact O-CB 3.49Å; A169-E172 PolarHBondContact O-N 3.11Å; L170-E172 VanDerWaalsContact C-N 3.27Å; L170-E172 PolarHBondContact O-N 2.98Å; E172-L216 WeakPolarHBondContact OE1-CD2 3.35Å; E172-L217 PolarHBondContact OE1-N 3.46Å; E172-L217 VanDerWaalsContact OE1-N 3.08Å
173T95.5Very high94.1Very high2 Ų239.5 Ų39.51%0.01224%0.236CC..THydrogen-bonded Turntrans-90.7-6177.876.30000114.1A9 R139 A143 L170 R171A9-T173 HydrophobicContact CB-CG2 3.71Å; A9-T173 WeakPolarHBondContact CB-OG1 3.34Å; R139-T173 VanDerWaalsContact CZ-O 3.27Å; R139-T173 PolarHBondContact NE-O 2.89Å; R139-T173 PolarHBondContact NH2-O 3.19Å; A143-T173 HydrophobicContact CB-CG2 3.45Å; A143-T173 VanDerWaalsContact CB-CG2 3.45Å; L170-T173 WeakPolarHBondContact O-CB 3.33Å; L170-T173 PolarHBondContact O-N 3.11Å; L170-T173 PolarHBondContact O-OG1 3.26Å; R171-T173 PolarHBondContact O-N 3.33Å; R171-T173 VanDerWaalsContact O-N 3.08Å
174L93.8Very high93.9Very high22 Ų2239.8 Ų39.812%0.11524%0.238CC..SBendtrans-76.6148-178.8-63.9-175.3000111.3V24 R171 L178 L180V24-L174 HydrophobicContact CG1-CD2 4.07Å; V24-L174 HydrophobicContact CG2-CD2 3.69Å; R171-L174 WeakPolarHBondContact O-CB 3.31Å; R171-L174 PolarHBondContact O-N 3.05Å; R171-L174 VanDerWaalsContact O-N 3.1Å; L174-L178 WeakPolarHBondContact CD1-O 3.3Å; L174-L178 HydrophobicContact CD2-CD2 4.14Å; L174-L180 HydrophobicContact CD1-CD2 3.75Å; L174-L180 HydrophobicContact CD1-CG 3.79Å; L174-L180 HydrophobicContact CD2-CD2 4.24Å; L174-L180 HydrophobicContact CG-CD2 4.28Å
175P88.8Confident93.9Very high49 Ų4937.1 Ų37.132%0.31823%0.227SC..PPolyproline II helixtrans-65.7159168.20.413.2000110.6R139 G177 L178R139-P175 VanDerWaalsContact NH1-CB 3.31Å; R139-P175 VanDerWaalsContact NH2-N 3.11Å; P175-G177 PolarHBondContact O-N 3.2Å; P175-L178 HydrophobicContact CG-CB 4.42Å; P175-L178 HydrophobicContact CG-CD2 4.36Å; P175-L178 PolarHBondContact O-N 3.04Å; P175-L178 VanDerWaalsContact O-N 3.16Å
176S85.2Confident93.9Very high95 Ų9536.7 Ų36.766%0.66423%0.226SC*.THydrogen-bonded Turntrans-49.7133.4168.2-57.40000111.1L178 H220S176-L178 VanDerWaalsContact C-N 3.32Å; S176-L178 PolarHBondContact O-N 2.84Å; S176-H220 PolarHBondContact OG-NE2 3.43Å
177G83.3Confident94Very high88 Ų8836.7 Ų36.791%0.90723%0.226SC*.THydrogen-bonded Turntrans85.1-10.1178.200000115.6P175P175-G177 PolarHBondContact O-N 3.2Å
178L88.4Confident94Very high86 Ų8636.7 Ų36.745%0.4523%0.226SC..  trans-99.9131.7174.3-168.166.3000110.5L174 P175 S176L174-L178 WeakPolarHBondContact CD1-O 3.3Å; L174-L178 HydrophobicContact CD2-CD2 4.14Å; P175-L178 HydrophobicContact CG-CB 4.42Å; P175-L178 HydrophobicContact CG-CD2 4.36Å; P175-L178 PolarHBondContact O-N 3.04Å; P175-L178 VanDerWaalsContact O-N 3.16Å; S176-L178 VanDerWaalsContact C-N 3.32Å; S176-L178 PolarHBondContact O-N 2.84Å
179T92.4Very high94.1Very high106 Ų10636.9 Ų36.965%0.6523%0.227SC*.  trans-111.7159.4174.460.10000111.4N184T179-N184 PolarHBondContact O-ND2 2.93Å
180L94.8Very high94.1Very high23 Ų2337 Ų3712%0.1223%0.227CC..  trans-69.4133169.7-65.8177.2000109V24 L167 L170 R171 L174 L208 I211V24-L180 HydrophobicContact CG2-CD2 4.14Å; L167-L180 HydrophobicContact CB-CD1 4.48Å; L167-L180 HydrophobicContact CD2-CD1 4.11Å; L170-L180 HydrophobicContact CD2-CD2 4.07Å; L170-L180 HydrophobicContact CG-CD2 4.38Å; R171-L180 HydrophobicContact CB-CD1 3.96Å; R171-L180 HydrophobicContact CB-CG 4.45Å; L174-L180 HydrophobicContact CD1-CD2 3.75Å; L174-L180 HydrophobicContact CD1-CG 3.79Å; L174-L180 HydrophobicContact CD2-CD2 4.24Å; L174-L180 HydrophobicContact CG-CD2 4.28Å; L180-L208 HydrophobicContact CB-CD2 3.56Å; L180-L208 HydrophobicContact CD1-CD2 4.2Å; L180-I211 HydrophobicContact CD1-CD1 4.26Å
181S94.2Very high94.1Very high42 Ų4237.1 Ų37.129%0.29423%0.229SC..  trans-134.8162.2175.865.70000109.6K183 N184 T185 L208S181-K183 PolarHBondContact O-N 3.3Å; S181-N184 PolarHBondContact N-OD1 2.82Å; S181-N184 PolarHBondContact O-N 2.96Å; S181-N184 VanDerWaalsContact O-N 3.12Å; S181-N184 PolarHBondContact O-OD1 3.44Å; S181-N184 VanDerWaalsContact OG-CG 3.27Å; S181-N184 PolarHBondContact OG-N 3.41Å; S181-N184 PolarHBondContact OG-ND2 3.41Å; S181-N184 PolarHBondContact OG-OD1 3.26Å; S181-T185 VanDerWaalsContact O-CB 3.24Å; S181-T185 WeakPolarHBondContact O-CB 3.5Å; S181-T185 PolarHBondContact O-N 2.65Å; S181-T185 PolarHBondContact O-OG1 2.59Å; S181-L208 VanDerWaalsContact C-CD1 3.41Å
182V94.9Very high94.1Very high33 Ų3342.5 Ų42.520%0.225%0.253CS..THydrogen-bonded Turntrans-54.1-38.2177.4-179.70000111.6K25 E201 L208K25-V182 PolarHBondContact NZ-O 3.48Å; V182-E201 HydrophobicContact CG1-CB 3.46Å; V182-E201 VanDerWaalsContact CG1-CB 3.46Å; V182-E201 HydrophobicContact CG1-CG 3.62Å; V182-L208 HydrophobicContact CG2-CD1 4.12Å
183K93.3Very high94.1Very high137 Ų13745.8 Ų45.860%0.59629%0.292SS*.THydrogen-bonded Turntrans-70.4-38.2-179.3-62.5-173.2178.8-179.60112.9K25 Y34 S181K25-K183 WeakPolarHBondContact CE-O 3.41Å; K25-K183 PolarHBondContact NZ-O 2.89Å; Y34-K183 WeakPolarHBondContact CD1-O 3.21Å; Y34-K183 HydrophobicContact CD2-CB 3.93Å; Y34-K183 HydrophobicContact CE2-CB 3.5Å; Y34-K183 HydrophobicContact CE2-CD 4.26Å; Y34-K183 HydrophobicContact CE2-CG 4.46Å; Y34-K183 VanDerWaalsContact CG-O 3.25Å; S181-K183 PolarHBondContact O-N 3.3Å
184N94.8Very high94.2Very high5 Ų548.3 Ų48.33%0.02731%0.308CS..THydrogen-bonded Turntrans-96.6-5.2-176.377.79.5000114.2V24 K25 Y34 T179 S181V24-N184 CarbonylContact C-O 3.49Å; V24-N184 WeakPolarHBondContact CA-O 3.45Å; K25-N184 PolarHBondContact N-O 3.36Å; Y34-N184 HydrophobicContact CD1-CB 4.09Å; Y34-N184 HydrophobicContact CE1-CB 3.45Å; Y34-N184 VanDerWaalsContact CE1-CB 3.45Å; T179-N184 PolarHBondContact O-ND2 2.93Å; S181-N184 PolarHBondContact N-OD1 2.82Å; S181-N184 PolarHBondContact O-N 2.96Å; S181-N184 VanDerWaalsContact O-N 3.12Å; S181-N184 PolarHBondContact O-OD1 3.44Å; S181-N184 VanDerWaalsContact OG-CG 3.27Å; S181-N184 PolarHBondContact OG-N 3.41Å; S181-N184 PolarHBondContact OG-ND2 3.41Å; S181-N184 PolarHBondContact OG-OD1 3.26Å
185T97.5Very high94.4Very high2 Ų250.2 Ų50.21%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-109.7135.4-177.9-54.50000110.4V22 K25 L167 S181 I187 V204 L208V22-T185 HydrophobicContact CG1-CG2 4.27Å; K25-T185 WeakPolarHBondContact CE-O 3.47Å; K25-T185 PolarHBondContact NZ-O 2.9Å; K25-T185 VanDerWaalsContact NZ-O 3.13Å; L167-T185 HydrophobicContact CD2-CG2 3.62Å; S181-T185 VanDerWaalsContact O-CB 3.24Å; S181-T185 WeakPolarHBondContact O-CB 3.5Å; S181-T185 PolarHBondContact O-N 2.65Å; S181-T185 PolarHBondContact O-OG1 2.59Å; T185-I187 HydrophobicContact CG2-CG1 4.17Å; T185-V204 HydrophobicContact CG2-CG1 4.29Å; T185-L208 HydrophobicContact CG2-CD2 4.47Å
186A98.2Very high94.9Very high10 Ų1048.4 Ų48.48%0.08331%0.31CS..EExtended strand (participates in β ladder)trans-124134.8169.900000108.8V22 A23 K25 I38 L198V22-A186 CarbonylContact C-O 3.44Å; V22-A186 VanDerWaalsContact CA-O 3.31Å; V22-A186 WeakPolarHBondContact CA-O 3.41Å; A23-A186 PolarHBondContact N-O 2.8Å; A23-A186 PolarHBondContact O-N 3.42Å; K25-A186 HydrophobicContact CD-CB 4.19Å; K25-A186 HydrophobicContact CG-CB 4.23Å; I38-A186 HydrophobicContact CD1-CB 3.92Å; I38-A186 HydrophobicContact CG1-CB 4.4Å; A186-L198 HydrophobicContact CB-CD1 4.45Å
187I98.6Very high95.5Very high0 Ų047.1 Ų47.10%030%0.298CS..EExtended strand (participates in β ladder)trans-127.1130.9178.5-54.3172.4000107.2I20 L21 V22 V163 L167 T185 I189 L198 L199 V204 Y207I20-I187 HydrophobicContact CG2-CG2 4.3Å; L21-I187 CarbonylContact O-C 3.59Å; L21-I187 WeakPolarHBondContact O-CA 3.31Å; V22-I187 HydrophobicContact CG1-CG1 4.19Å; V163-I187 HydrophobicContact CG1-CD1 3.97Å; V163-I187 HydrophobicContact CG1-CG2 4.12Å; L167-I187 HydrophobicContact CD1-CD1 4.03Å; L167-I187 HydrophobicContact CD2-CD1 4.02Å; L167-I187 HydrophobicContact CD2-CG1 4.3Å; L167-I187 HydrophobicContact CG-CD1 4.33Å; T185-I187 HydrophobicContact CG2-CG1 4.17Å; I187-I189 HydrophobicContact CG2-CG1 4.35Å; I187-L198 WeakPolarHBondContact O-CD1 3.35Å; I187-L199 HydrophobicContact CB-CB 4.33Å; I187-L199 HydrophobicContact CB-CD1 3.92Å; I187-L199 HydrophobicContact CB-CG 4.16Å; I187-L199 HydrophobicContact CD1-CD1 4.49Å; I187-L199 HydrophobicContact CG2-CD1 3.61Å; I187-L199 HydrophobicContact CG2-CG 4.08Å; I187-L199 PolarHBondContact O-N 2.95Å; I187-V204 HydrophobicContact CB-CG2 4.4Å; I187-V204 HydrophobicContact CD1-CB 4.42Å; I187-V204 HydrophobicContact CD1-CG1 4.28Å; I187-V204 HydrophobicContact CD1-CG2 4.05Å; I187-V204 HydrophobicContact CG1-CG2 4.21Å; I187-Y207 HydrophobicContact CD1-CD2 4.29Å
188A98.7Very high96.2Very high0 Ų046.6 Ų46.60%027%0.274CS..EExtended strand (participates in β ladder)trans-130.5146169.600000110.6I20 L21 I38 F196 T197 L198I20-A188 CarbonylContact C-O 3.53Å; I20-A188 WeakPolarHBondContact CA-O 3.31Å; I20-A188 WeakPolarHBondContact CG2-O 3.26Å; L21-A188 PolarHBondContact N-O 3.17Å; L21-A188 PolarHBondContact O-N 2.99Å; I38-A188 HydrophobicContact CD1-CB 4Å; I38-A188 HydrophobicContact CG2-CB 3.81Å; A188-F196 HydrophobicContact CB-CE1 3.63Å; A188-F196 HydrophobicContact CB-CE2 4.32Å; A188-F196 HydrophobicContact CB-CZ 3.48Å; A188-F196 VanDerWaalsContact CB-CZ 3.48Å; A188-T197 CarbonylContact C-O 3.59Å; A188-T197 WeakPolarHBondContact CA-O 3.32Å; A188-L198 HydrophobicContact CB-CD1 4.15Å
189I98.6Very high96.6Very high18 Ų1844.2 Ų44.29%0.09226%0.262CS..EExtended strand (participates in β ladder)trans-131.6140.4-176.1-53.8-176.5000108.3I20 V163 I187 F196 T197 L199I20-I189 HydrophobicContact CD1-CD1 4.47Å; I20-I189 HydrophobicContact CD1-CG1 4.39Å; I20-I189 HydrophobicContact CG1-CG1 4.13Å; I20-I189 HydrophobicContact CG1-CG2 4.22Å; I20-I189 HydrophobicContact CG2-CG1 4.41Å; V163-I189 HydrophobicContact CG2-CD1 3.74Å; V163-I189 HydrophobicContact CG2-CG1 4.5Å; I187-I189 HydrophobicContact CG2-CG1 4.35Å; I189-F196 WeakPolarHBondContact O-CA 3.44Å; I189-T197 PolarHBondContact N-O 3.08Å; I189-T197 PolarHBondContact O-N 3.46Å; I189-L199 HydrophobicContact CD1-CD1 4.05Å; I189-L199 HydrophobicContact CD1-CD2 4.29Å; I189-L199 HydrophobicContact CD1-CG 4.47Å; I189-L199 HydrophobicContact CG1-CD2 4.49Å
190V98.7Very high96.8Very high1 Ų143.4 Ų43.41%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-141.8147.8170.764.60000108.9H18 A19 A110 F112 F196H18-V190 CarbonylContact C-O 3.59Å; H18-V190 WeakPolarHBondContact CA-O 3.29Å; H18-V190 WeakPolarHBondContact CB-O 3.47Å; A19-V190 HydrophobicContact CB-CG1 3.93Å; A19-V190 PolarHBondContact N-O 3.48Å; A19-V190 PolarHBondContact O-N 3.32Å; A110-V190 HydrophobicContact CB-CG1 4.27Å; F112-V190 HydrophobicContact CB-CG2 3.96Å; V190-F196 HydrophobicContact CB-CB 4.07Å; V190-F196 HydrophobicContact CB-CD2 3.69Å; V190-F196 HydrophobicContact CB-CG 4.27Å; V190-F196 HydrophobicContact CG1-CD2 3.88Å; V190-F196 HydrophobicContact CG1-CE2 4.43Å; V190-F196 HydrophobicContact CG2-CB 3.99Å; V190-F196 HydrophobicContact CG2-CD2 4.28Å
191G97.4Very high96.9Very high3 Ų348.4 Ų48.43%0.03128%0.276CS..EExtended strand (participates in β ladder)trans173.6-164.2177.800000114.1T17 G193 T194T17-G191 CarbonylContact O-C 3.54Å; T17-G191 WeakPolarHBondContact O-CA 3.39Å; G191-G193 PolarHBondContact O-N 3.41Å; G191-T194 PolarHBondContact N-O 3.45Å; G191-T194 PolarHBondContact O-N 3.45Å
192K95.3Very high97Very high154 Ų15453.9 Ų53.967%0.6730%0.297SS*.THydrogen-bonded Turntrans-58.4112.1-178.7-171177.7-177.9177.20111.1T17 F112 T194T17-K192 PolarHBondContact O-N 2.9Å; F112-K192 HydrophobicContact CE1-CB 4.37Å; F112-K192 HydrophobicContact CE2-CB 3.98Å; F112-K192 HydrophobicContact CZ-CB 3.66Å; F112-K192 HydrophobicContact CZ-CG 4.18Å; K192-T194 PolarHBondContact O-N 3.44Å
193G94.6Very high97Very high86 Ų8654 Ų5489%0.88730%0.301SS*.THydrogen-bonded Turntrans73.19.3-178.600000114.6G191G191-G193 PolarHBondContact O-N 3.41Å
194T96.7Very high97.2Very high55 Ų5547.7 Ų47.734%0.33727%0.274SS..EExtended strand (participates in β ladder)trans-126.8108.6179.7-57.70000109.7G191 K192G191-T194 PolarHBondContact N-O 3.45Å; G191-T194 PolarHBondContact O-N 3.45Å; K192-T194 PolarHBondContact O-N 3.44Å
195S97.8Very high97.3Very high61 Ų6149.4 Ų49.443%0.42729%0.286SS..EExtended strand (participates in β ladder)trans-61.8153.7171-50.70000110.8E43 T197E43-S195 CarbonylContact O-C 3.53Å; E43-S195 WeakPolarHBondContact O-CA 3.29Å; E43-S195 VanDerWaalsContact O-CB 3.27Å; E43-S195 WeakPolarHBondContact O-CB 3.26Å; S195-T197 PolarHBondContact O-N 3.25Å; S195-T197 PolarHBondContact O-OG1 3Å
196F98.6Very high97.3Very high12 Ų1251.1 Ų51.15%0.05331%0.305CS..EExtended strand (participates in β ladder)trans-57.1103.9-179.9-169.4-78.1000110.3L21 I38 V40 E43 A110 A188 I189 V190L21-F196 HydrophobicContact CD1-CE2 4.15Å; L21-F196 HydrophobicContact CD1-CZ 4.04Å; I38-F196 HydrophobicContact CG2-CE1 3.81Å; I38-F196 HydrophobicContact CG2-CZ 3.7Å; V40-F196 HydrophobicContact CB-CD1 4.22Å; V40-F196 HydrophobicContact CG1-CD1 4.01Å; V40-F196 HydrophobicContact CG2-CD1 3.82Å; V40-F196 HydrophobicContact CG2-CE1 4.04Å; E43-F196 PolarHBondContact O-N 2.95Å; A110-F196 HydrophobicContact CB-CE2 4.19Å; A188-F196 HydrophobicContact CB-CE1 3.63Å; A188-F196 HydrophobicContact CB-CE2 4.32Å; A188-F196 HydrophobicContact CB-CZ 3.48Å; A188-F196 VanDerWaalsContact CB-CZ 3.48Å; I189-F196 WeakPolarHBondContact O-CA 3.44Å; V190-F196 HydrophobicContact CB-CB 4.07Å; V190-F196 HydrophobicContact CB-CD2 3.69Å; V190-F196 HydrophobicContact CB-CG 4.27Å; V190-F196 HydrophobicContact CG1-CD2 3.88Å; V190-F196 HydrophobicContact CG1-CE2 4.43Å; V190-F196 HydrophobicContact CG2-CB 3.99Å; V190-F196 HydrophobicContact CG2-CD2 4.28Å
197T98.5Very high97.2Very high67 Ų6752.8 Ų52.841%0.41131%0.309SS..EExtended strand (participates in β ladder)trans-118.7125.1-170.8-60.70000109.5A188 I189 S195A188-T197 CarbonylContact C-O 3.59Å; A188-T197 WeakPolarHBondContact CA-O 3.32Å; I189-T197 PolarHBondContact N-O 3.08Å; I189-T197 PolarHBondContact O-N 3.46Å; S195-T197 PolarHBondContact O-N 3.25Å; S195-T197 PolarHBondContact O-OG1 3Å
198L98Very high97.1Very high77 Ų7753.5 Ų53.540%0.40331%0.313SS..EExtended strand (participates in β ladder)trans-81.3121.4167.8-173.472.6000108.4I38 A186 I187 A188I38-L198 HydrophobicContact CB-CD1 4.11Å; I38-L198 HydrophobicContact CD1-CD1 4.19Å; I38-L198 HydrophobicContact CG2-CD1 4.28Å; A186-L198 HydrophobicContact CB-CD1 4.45Å; I187-L198 WeakPolarHBondContact O-CD1 3.35Å; A188-L198 HydrophobicContact CB-CD1 4.15Å
199L97.8Very high96.8Very high37 Ų3759.7 Ų59.719%0.19434%0.342CS..PPolyproline II helixtrans-67.4143.4-178.5-59.8-167.6000111.4I187 I189 A203 V204 Y207I187-L199 HydrophobicContact CB-CB 4.33Å; I187-L199 HydrophobicContact CB-CD1 3.92Å; I187-L199 HydrophobicContact CB-CG 4.16Å; I187-L199 HydrophobicContact CD1-CD1 4.49Å; I187-L199 HydrophobicContact CG2-CD1 3.61Å; I187-L199 HydrophobicContact CG2-CG 4.08Å; I187-L199 PolarHBondContact O-N 2.95Å; I189-L199 HydrophobicContact CD1-CD1 4.05Å; I189-L199 HydrophobicContact CD1-CD2 4.29Å; I189-L199 HydrophobicContact CD1-CG 4.47Å; I189-L199 HydrophobicContact CG1-CD2 4.49Å; L199-A203 HydrophobicContact CB-CB 4.22Å; L199-A203 HydrophobicContact CD1-CB 4.32Å; L199-V204 HydrophobicContact CB-CG2 4.01Å; L199-Y207 HydrophobicContact CD1-CD2 3.99Å; L199-Y207 HydrophobicContact CD1-CE2 3.67Å
200N96.6Very high96.5Very high88 Ų8861 Ų6147%0.47135%0.353SS..PPolyproline II helixtrans-74.8171.1174.872.3-5.7000111.4E202 A203 V204N200-E202 VanDerWaalsContact C-N 3.29Å; N200-E202 PolarHBondContact O-N 3.49Å; N200-A203 PolarHBondContact O-N 3.5Å; N200-A203 WeakPolarHBondContact OD1-CB 3.33Å; N200-A203 PolarHBondContact OD1-N 3.33Å; N200-V204 VanDerWaalsContact O-CG2 3.25Å; N200-V204 WeakPolarHBondContact O-CG2 3.43Å; N200-V204 PolarHBondContact O-N 2.96Å
201E95.5Very high96.2Very high129 Ų12961.3 Ų61.360%0.60335%0.354SS*.Hα-helixtrans-61.9-35.2-176.9-71-163.7175.400113.4V182 S205V182-E201 HydrophobicContact CG1-CB 3.46Å; V182-E201 VanDerWaalsContact CG1-CB 3.46Å; V182-E201 HydrophobicContact CG1-CG 3.62Å; E201-S205 WeakPolarHBondContact O-CB 3.39Å; E201-S205 PolarHBondContact O-N 3.38Å
202E96.4Very high95.6Very high157 Ų15767.4 Ų67.473%0.73439%0.385SS*.Hα-helixtrans-64.8-50.1177.9-66173.1179.900111.8N200 V204 S205 G206N200-E202 VanDerWaalsContact C-N 3.29Å; N200-E202 PolarHBondContact O-N 3.49Å; E202-V204 PolarHBondContact O-N 3.17Å; E202-S205 WeakPolarHBondContact O-CB 3.33Å; E202-S205 PolarHBondContact O-N 3.02Å; E202-G206 PolarHBondContact O-N 3.02Å; E202-G206 VanDerWaalsContact O-N 3.07Å
203A96.2Very high94.9Very high35 Ų3565.8 Ų65.829%0.28939%0.388SS..Hα-helixtrans-63.1-42.9177.600000111.3L199 N200 S205 G206 Y207L199-A203 HydrophobicContact CB-CB 4.22Å; L199-A203 HydrophobicContact CD1-CB 4.32Å; N200-A203 PolarHBondContact O-N 3.5Å; N200-A203 WeakPolarHBondContact OD1-CB 3.33Å; N200-A203 PolarHBondContact OD1-N 3.33Å; A203-S205 VanDerWaalsContact C-N 3.3Å; A203-S205 PolarHBondContact O-N 3.41Å; A203-G206 PolarHBondContact O-N 3.48Å; A203-Y207 WeakPolarHBondContact O-CD2 3.5Å; A203-Y207 PolarHBondContact O-N 2.85Å; A203-Y207 VanDerWaalsContact O-N 3.13Å
204V97.6Very high94.4Very high5 Ų564.4 Ų64.43%0.0336%0.362CS..Hα-helixtrans-59.2-42.9175.3173.30000110.7T185 I187 L199 N200 E202 G206 Y207 L208T185-V204 HydrophobicContact CG2-CG1 4.29Å; I187-V204 HydrophobicContact CB-CG2 4.4Å; I187-V204 HydrophobicContact CD1-CB 4.42Å; I187-V204 HydrophobicContact CD1-CG1 4.28Å; I187-V204 HydrophobicContact CD1-CG2 4.05Å; I187-V204 HydrophobicContact CG1-CG2 4.21Å; L199-V204 HydrophobicContact CB-CG2 4.01Å; N200-V204 VanDerWaalsContact O-CG2 3.25Å; N200-V204 WeakPolarHBondContact O-CG2 3.43Å; N200-V204 PolarHBondContact O-N 2.96Å; E202-V204 PolarHBondContact O-N 3.17Å; V204-G206 PolarHBondContact O-N 3.19Å; V204-Y207 PolarHBondContact O-N 2.86Å; V204-L208 HydrophobicContact CG1-CD1 3.89Å; V204-L208 HydrophobicContact CG1-CG 4.24Å; V204-L208 WeakPolarHBondContact O-CB 3.49Å; V204-L208 VanDerWaalsContact O-CG 3.27Å; V204-L208 WeakPolarHBondContact O-CG 3.32Å; V204-L208 PolarHBondContact O-N 3.34Å
205S96.7Very high93.6Very high40 Ų4066.9 Ų66.928%0.2838%0.379SS..Hα-helixtrans-59.1-45.8177-169.70000112.1E201 E202 A203 Y207 L208 Q209E201-S205 WeakPolarHBondContact O-CB 3.39Å; E201-S205 PolarHBondContact O-N 3.38Å; E202-S205 WeakPolarHBondContact O-CB 3.33Å; E202-S205 PolarHBondContact O-N 3.02Å; A203-S205 VanDerWaalsContact C-N 3.3Å; A203-S205 PolarHBondContact O-N 3.41Å; S205-Y207 PolarHBondContact O-N 3.25Å; S205-L208 PolarHBondContact O-N 3.34Å; S205-Q209 WeakPolarHBondContact O-CG 3.46Å; S205-Q209 PolarHBondContact O-N 3.42Å
206G96.1Very high92.3Very high39 Ų3968 Ų6840%0.40238%0.38SS..Hα-helixtrans-58.7-46.4177.400000112.8E202 A203 V204 L208 Q209 S210E202-G206 PolarHBondContact O-N 3.02Å; E202-G206 VanDerWaalsContact O-N 3.07Å; A203-G206 PolarHBondContact O-N 3.48Å; V204-G206 PolarHBondContact O-N 3.19Å; G206-L208 PolarHBondContact O-N 2.87Å; G206-Q209 PolarHBondContact O-N 2.93Å; G206-S210 PolarHBondContact O-N 3.48Å
207Y96.7Very high90.9Very high45 Ų4571.3 Ų71.318%0.17640%0.398CS..Hα-helixtrans-64.7-40.3175.8-75.8-66.6000112.8E160 V163 I187 L199 A203 V204 S205 Q209 S210E160-Y207 HydrophobicContact CB-CE1 4.17Å; E160-Y207 HydrophobicContact CG-CE1 4.33Å; V163-Y207 HydrophobicContact CB-CD1 3.85Å; V163-Y207 HydrophobicContact CB-CE1 3.74Å; V163-Y207 HydrophobicContact CB-CG 4.4Å; V163-Y207 HydrophobicContact CG1-CD1 3.54Å; V163-Y207 HydrophobicContact CG1-CD2 3.99Å; V163-Y207 HydrophobicContact CG1-CE1 3.87Å; V163-Y207 HydrophobicContact CG1-CE2 4.3Å; V163-Y207 HydrophobicContact CG1-CG 3.61Å; V163-Y207 HydrophobicContact CG2-CD1 4.46Å; V163-Y207 HydrophobicContact CG2-CE1 3.95Å; V163-Y207 HydrophobicContact CG2-CE2 4.36Å; I187-Y207 HydrophobicContact CD1-CD2 4.29Å; L199-Y207 HydrophobicContact CD1-CD2 3.99Å; L199-Y207 HydrophobicContact CD1-CE2 3.67Å; A203-Y207 WeakPolarHBondContact O-CD2 3.5Å; A203-Y207 PolarHBondContact O-N 2.85Å; A203-Y207 VanDerWaalsContact O-N 3.13Å; V204-Y207 PolarHBondContact O-N 2.86Å; S205-Y207 PolarHBondContact O-N 3.25Å; Y207-Q209 VanDerWaalsContact C-N 3.34Å; Y207-Q209 PolarHBondContact O-N 3Å; Y207-S210 PolarHBondContact O-N 3.3Å; Y207-S210 PolarHBondContact O-OG 2.89Å
208L95.9Very high89Confident15 Ų1574.8 Ų74.88%0.07940%0.403CS..Hα-helixtrans-61.6-42.4176.8-72.8175.6000111.6L167 L180 S181 V182 T185 V204 S205 G206 S210 I211 I212L167-L208 HydrophobicContact CD2-CD2 4.13Å; L180-L208 HydrophobicContact CB-CD2 3.56Å; L180-L208 HydrophobicContact CD1-CD2 4.2Å; S181-L208 VanDerWaalsContact C-CD1 3.41Å; V182-L208 HydrophobicContact CG2-CD1 4.12Å; T185-L208 HydrophobicContact CG2-CD2 4.47Å; V204-L208 HydrophobicContact CG1-CD1 3.89Å; V204-L208 HydrophobicContact CG1-CG 4.24Å; V204-L208 WeakPolarHBondContact O-CB 3.49Å; V204-L208 VanDerWaalsContact O-CG 3.27Å; V204-L208 WeakPolarHBondContact O-CG 3.32Å; V204-L208 PolarHBondContact O-N 3.34Å; S205-L208 PolarHBondContact O-N 3.34Å; G206-L208 PolarHBondContact O-N 2.87Å; L208-S210 VanDerWaalsContact C-N 3.27Å; L208-S210 PolarHBondContact O-N 3.44Å; L208-I211 HydrophobicContact CD2-CD1 4.44Å; L208-I211 WeakPolarHBondContact O-CG1 3.41Å; L208-I211 PolarHBondContact O-N 3.43Å; L208-I212 WeakPolarHBondContact O-CG1 3.4Å; L208-I212 PolarHBondContact O-N 3.37Å
209Q94.2Very high86.6Confident129 Ų12974.4 Ų74.460%0.60342%0.418SS*.Hα-helixtrans-59.9-38.5176.5-71.2174.37.600112.2S205 G206 Y207 I211 I212S205-Q209 WeakPolarHBondContact O-CG 3.46Å; S205-Q209 PolarHBondContact O-N 3.42Å; G206-Q209 PolarHBondContact O-N 2.93Å; Y207-Q209 VanDerWaalsContact C-N 3.34Å; Y207-Q209 PolarHBondContact O-N 3Å; Q209-I211 PolarHBondContact O-N 3.07Å; Q209-I212 PolarHBondContact O-N 3.09Å
210S90.9Very high84Confident47 Ų4780 Ų8033%0.32944%0.443SS..Hα-helixtrans-65.3-19.7-179.1780000114.5G206 Y207 L208G206-S210 PolarHBondContact O-N 3.48Å; Y207-S210 PolarHBondContact O-N 3.3Å; Y207-S210 PolarHBondContact O-OG 2.89Å; L208-S210 VanDerWaalsContact C-N 3.27Å; L208-S210 PolarHBondContact O-N 3.44Å
211I92Very high80.9Confident7 Ų778.6 Ų78.64%0.03645%0.449CS..Hα-helixtrans-105.5-4-178.764.1152.1000114.1K164 L167 L168 R171 L180 L208 Q209 T213 V214K164-I211 HydrophobicContact CB-CG2 4Å; K164-I211 HydrophobicContact CG-CG2 3.98Å; L167-I211 HydrophobicContact CB-CD1 3.71Å; L167-I211 HydrophobicContact CD1-CD1 4.48Å; L168-I211 HydrophobicContact CD2-CB 3.98Å; L168-I211 HydrophobicContact CD2-CG2 4.26Å; L168-I211 HydrophobicContact CG-CB 4.39Å; L168-I211 HydrophobicContact CG-CG2 4.12Å; R171-I211 PolarHBondContact NH1-O 2.94Å; L180-I211 HydrophobicContact CD1-CD1 4.26Å; L208-I211 HydrophobicContact CD2-CD1 4.44Å; L208-I211 WeakPolarHBondContact O-CG1 3.41Å; L208-I211 PolarHBondContact O-N 3.43Å; Q209-I211 PolarHBondContact O-N 3.07Å; I211-T213 VanDerWaalsContact C-N 3.26Å; I211-T213 PolarHBondContact O-N 2.82Å; I211-V214 PolarHBondContact O-N 2.98Å
212I84.8Confident78Confident130 Ų13081.7 Ų81.767%0.66746%0.464SS*.THydrogen-bonded Turntrans-62.3-35.7-178.6-72.5171.2000111.3L208 Q209 V214L208-I212 WeakPolarHBondContact O-CG1 3.4Å; L208-I212 PolarHBondContact O-N 3.37Å; Q209-I212 PolarHBondContact O-N 3.09Å; I212-V214 VanDerWaalsContact C-N 3.3Å; I212-V214 PolarHBondContact O-N 3.13Å
213T82.2Confident75.1Confident121 Ų12180.7 Ų80.774%0.74246%0.463SS*.THydrogen-bonded Turntrans-76-16-176.8530000113.7I211 P215I211-T213 VanDerWaalsContact C-N 3.26Å; I211-T213 PolarHBondContact O-N 2.82Å; T213-P215 WeakPolarHBondContact O-CD 3.47Å
214V83.8Confident72.1Confident56 Ų5686.2 Ų86.234%0.33948%0.483SS..SBendtrans-82.9119.2-177-177.10000109.3L168 R171 I211 I212L168-V214 HydrophobicContact CD1-CG1 4.16Å; L168-V214 HydrophobicContact CD2-CB 3.83Å; L168-V214 HydrophobicContact CD2-CG1 3.77Å; L168-V214 HydrophobicContact CD2-CG2 4.39Å; R171-V214 PolarHBondContact NH1-O 3.13Å; R171-V214 PolarHBondContact NH2-O 3.36Å; R171-V214 VanDerWaalsContact NH2-O 3.09Å; I211-V214 PolarHBondContact O-N 2.98Å; I212-V214 VanDerWaalsContact C-N 3.3Å; I212-V214 PolarHBondContact O-N 3.13Å
215P79.7Confident68.8Low108 Ų10896.1 Ų96.170%0.70152%0.52SS*.PPolyproline II helixtrans-58.9154.8177.5-23.634.5000112.7R171 T213R171-P215 PolarHBondContact NH2-O 3.16Å; T213-P215 WeakPolarHBondContact O-CD 3.47Å
216L71.1Confident65.7Low83 Ų83100.8 Ų100.844%0.43554%0.54SS..PPolyproline II helixtrans-66.4145.1168.6-73.3164.8000109.4R171 E172 R218R171-L216 HydrophobicContact CG-CD2 3.88Å; R171-L216 VanDerWaalsContact NE-CD2 3.27Å; E172-L216 WeakPolarHBondContact OE1-CD2 3.35Å; L216-R218 PolarHBondContact O-N 3.18Å
217L67.6Low62.6Low82 Ų82107.6 Ų107.643%0.42956%0.562SS.*SBendtrans-62.2-28.8175.2-81.6176.2000111.8Y146 K149 E172Y146-L217 HydrophobicContact CD2-CD1 3.52Å; Y146-L217 HydrophobicContact CD2-CG 4.18Å; Y146-L217 HydrophobicContact CE2-CD1 4.48Å; Y146-L217 HydrophobicContact CG-CD1 4.18Å; K149-L217 HydrophobicContact CD-CD1 4.46Å; E172-L217 PolarHBondContact OE1-N 3.46Å; E172-L217 VanDerWaalsContact OE1-N 3.08Å
218R58.8Low59.6Low140 Ų140113.9 Ų113.953%0.52859%0.593SS.*  trans-87.5116.7177.3-65-176.4176-171.2-4.9110.3L216L216-R218 PolarHBondContact O-N 3.18Å
219G47.8Very low56.6Low70 Ų70116.5 Ų116.572%0.72262%0.623SS**  trans-66.6130.1135.200000106.6G221G219-G221 PolarHBondContact O-N 2.94Å
220H43.8Very low53.7Low154 Ų154122 Ų12271%0.71364%0.638SS**SBendtrans-63.274.7179.3-95.248.9000111.4S176S176-H220 PolarHBondContact OG-NE2 3.43Å
221G32.2Very low51Low58 Ų58128.3 Ų128.360%0.59866%0.663SS**  trans-122.3128.8173.500000109.1G219G219-G221 PolarHBondContact O-N 2.94Å
222E33.9Very low48.3Very low195 Ų195133.8 Ų133.891%0.91170%0.699SS**  trans83.480.8172.4-53.7-179.9173.800114.5E224E222-E224 PolarHBondContact O-N 2.79Å
223D35.3Very low46.2Very low135 Ų135133 Ų13372%0.72271%0.705SS**  trans-15.9120142.4-72-47.9000112.5R225D223-R225 HydrophobicContact CB-CG 4.35Å; D223-R225 PolarHBondContact O-N 3.46Å
224E33.1Very low44Very low152 Ų152138.4 Ų138.471%0.7171%0.712SS**  trans-56.682.7146.4-71.8176.7170.800106.6E222 I226E222-E224 PolarHBondContact O-N 2.79Å; E224-I226 PolarHBondContact O-N 2.71Å
225R28Very low41.9Very low213 Ų213141.7 Ų141.780%0.80473%0.734SS**  trans-61.485.7153.6-70.7-178.2-166.9-101.1-2.2104.6D223 E227D223-R225 HydrophobicContact CB-CG 4.35Å; D223-R225 PolarHBondContact O-N 3.46Å; R225-E227 PolarHBondContact O-N 2.79Å
226I31.8Very low40.2Very low137 Ų137141.2 Ų141.270%0.70374%0.74SS**  trans-56103.3157.7-61.9174.1000103E224 E228E224-I226 PolarHBondContact O-N 2.71Å; I226-E228 PolarHBondContact O-N 3.16Å
227E31.3Very low38.7Very low182 Ų182140.6 Ų140.685%0.8575%0.753SS**  trans-57.495166.5-72.9-174.5149.500105.8R225 G229R225-E227 PolarHBondContact O-N 2.79Å; E227-G229 PolarHBondContact O-N 3.01Å
228E33.1Very low37.4Very low178 Ų178142.9 Ų142.983%0.83278%0.776SS**  trans-51.9117.8164.4-75.8-176.9156.200106I226 R230I226-E228 PolarHBondContact O-N 3.16Å; E228-R230 PolarHBondContact O-N 3.14Å; E228-R230 VanDerWaalsContact O-N 3.09Å
229G32.8Very low36.4Very low69 Ų69145.2 Ų145.271%0.71179%0.793SS**  trans-45.7120-172.300000110.6E227 E231E227-G229 PolarHBondContact O-N 3.01Å; G229-E231 PolarHBondContact O-N 3.01Å
230R34.3Very low35.7Very low245 Ų245145.3 Ų145.393%0.92579%0.794SS**  trans-53.6107.9160.1-80.9178.4173.2-179.9-1.5106.8E228E228-R230 PolarHBondContact O-N 3.14Å; E228-R230 VanDerWaalsContact O-N 3.09Å
231E32.8Very low35.6Very low179 Ų179147.6 Ų147.684%0.83681%0.805SS**PPolyproline II helixtrans-52.3132.3166.8-79.8-177.7145.100108.2G229 S233G229-E231 PolarHBondContact O-N 3.01Å; E231-S233 PolarHBondContact O-N 3.43Å
232P36.4Very low35.8Very low122 Ų122157.7 Ų157.779%0.79284%0.837SS**PPolyproline II helixtrans-59.8118.317721.6-29.4000108.7R234P232-R234 PolarHBondContact O-N 3.41Å; P232-R234 VanDerWaalsContact O-N 3.11Å
233S40.5Very low35.9Very low114 Ų114155.9 Ų155.980%0.79783%0.833SS**PPolyproline II helixtrans-50.1117.3174.950.60000109.5E231E231-S233 PolarHBondContact O-N 3.43Å
234R35.6Very low36Very low234 Ų234156.9 Ų156.988%0.88384%0.839SS**PPolyproline II helixtrans-55.9137.6173.9-73.4-179-179.1177.31.1109.2P232 A236P232-R234 PolarHBondContact O-N 3.41Å; P232-R234 VanDerWaalsContact O-N 3.11Å; R234-A236 PolarHBondContact O-N 3.27Å
235P40.2Very low36.1Very low125 Ų125157.2 Ų157.281%0.81285%0.846SS**PPolyproline II helixtrans-60.5131.817623.3-30000109.6
236A44Very low36.6Very low99 Ų99153.9 Ų153.982%0.81885%0.849SS**PPolyproline II helixtrans-55.7137.417800000110.2R234 S238R234-A236 PolarHBondContact O-N 3.27Å; A236-S238 PolarHBondContact O-N 3.32Å
237G39.8Very low36.9Very low70 Ų70155 Ų15572%0.72286%0.858SS**PPolyproline II helixtrans-51.3129.9-177.100000112.4E239G237-E239 PolarHBondContact O-N 2.92Å
238S41Very low37.3Very low129 Ų129153.2 Ų153.290%0.90286%0.858SS**  trans-74.777.6154.957.70000107.7A236A236-S238 PolarHBondContact O-N 3.32Å
239E37.4Very low37.6Very low189 Ų189151.4 Ų151.488%0.88386%0.86SS**  trans-93.1123.7163.1-75.7-173.4161.400108.4G237G237-E239 PolarHBondContact O-N 2.92Å
240G33.5Very low38Very low73 Ų73157.8 Ų157.875%0.75387%0.871SS**  trans99.889.5158.200000115.9
241Q41Very low38.3Very low201 Ų201150.5 Ų150.594%0.93987%0.867SS**  -137.4138.9128.4-71.2-165.4-28.400108.1
242E37Very low38.8Very low271 Ų271147.9 Ų147.9100%1.26687%0.87SS**  trans-51.40-168.8-66.3163.413800116.8

Retrieved 242 of 242 residues in 799.7 ms (Link to these results)

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