A0A087YGD7_POEFO Loading...

Cilia and flagella associated protein 298

AlphaFold DB , UniProt , Accession A0A087YGD7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 290 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
1M83.3Confident88Confident150 Ų15048.6 Ų48.674%0.73925%0.253SS*.  0116.90-67.3-178.217400110.1T18 E212M1-T18 CarbonylContact C-O 3.5Å; M1-E212 CarbonylContact C-O 3.58Å; M1-E212 WeakPolarHBondContact CA-O 3.33Å; M1-E212 PolarHBondContact N-O 3.22Å
2V86.8Confident88Confident0 Ų048.2 Ų48.20%026%0.257CS..EExtended strand (participates in β ladder)trans-78.5129.5176.7-178.20000108.6L4 T18 T20 L204 E212 T214 L216V2-L4 HydrophobicContact CG1-CD2 4.02Å; V2-T18 HydrophobicContact CB-CG2 4.32Å; V2-T18 PolarHBondContact N-O 3.36Å; V2-T18 PolarHBondContact O-N 3.43Å; V2-T18 VanDerWaalsContact O-O 3.12Å; V2-T20 HydrophobicContact CG2-CG2 3.47Å; V2-T20 VanDerWaalsContact CG2-CG2 3.47Å; V2-L204 HydrophobicContact CB-CD2 4.13Å; V2-L204 HydrophobicContact CG1-CD2 3.9Å; V2-L204 HydrophobicContact CG2-CD2 4.22Å; V2-E212 PolarHBondContact N-O 2.67Å; V2-T214 WeakPolarHBondContact CA-O 3.36Å; V2-L216 HydrophobicContact CG1-CD1 3.47Å; V2-L216 VanDerWaalsContact CG1-CD1 3.47Å; V2-L216 HydrophobicContact CG1-CG 3.93Å
3Q91.2Very high88.1Confident36 Ų3645.6 Ų45.617%0.16824%0.243CC..EExtended strand (participates in β ladder)trans-101.4118.8177-175177.474.800109.5L15 F16 C133 T214 K215 L216Q3-L15 HydrophobicContact CG-CB 4.4Å; Q3-F16 CarbonylContact C-O 2.84Å; Q3-C133 PolarHBondContact NE2-SG 3.34Å; Q3-T214 PolarHBondContact N-O 2.99Å; Q3-K215 HydrophobicContact CB-CG 4.42Å; Q3-K215 HydrophobicContact CG-CG 4.48Å; Q3-K215 CarbonylContact O-C 3.52Å; Q3-K215 VanDerWaalsContact O-CA 3.28Å; Q3-K215 WeakPolarHBondContact O-CA 3.39Å; Q3-K215 VanDerWaalsContact OE1-CD 3.29Å; Q3-K215 VanDerWaalsContact OE1-CE 3.27Å; Q3-L216 PolarHBondContact O-N 3.27Å
4L91.4Very high88.4Confident1 Ų142.4 Ų42.41%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-92.1116.8173.1-53.2-171.8000109.2V2 V6 L15 F16 T18 V27 L216 V218V2-L4 HydrophobicContact CG1-CD2 4.02Å; L4-V6 HydrophobicContact CB-CG2 4.47Å; L4-V6 PolarHBondContact O-N 3.48Å; L4-L15 CarbonylContact O-C 3.44Å; L4-L15 WeakPolarHBondContact O-CA 3.14Å; L4-F16 HydrophobicContact CB-CB 4.37Å; L4-F16 HydrophobicContact CD1-CD1 4.03Å; L4-F16 HydrophobicContact CG-CD1 4.39Å; L4-F16 PolarHBondContact N-O 3.14Å; L4-F16 PolarHBondContact O-N 3.48Å; L4-T18 HydrophobicContact CD1-CG2 3.99Å; L4-T18 HydrophobicContact CD2-CG2 4.4Å; L4-T18 HydrophobicContact CG-CG2 3.99Å; L4-V27 HydrophobicContact CD1-CG1 3.59Å; L4-L216 CarbonylContact C-O 3.46Å; L4-L216 HydrophobicContact CD2-CB 3.89Å; L4-L216 HydrophobicContact CD2-CD1 3.68Å; L4-L216 HydrophobicContact CD2-CG 4.25Å; L4-V218 HydrophobicContact CB-CG2 4.43Å; L4-V218 HydrophobicContact CD2-CG2 4.05Å
5H92.9Very high88.6Confident25 Ų2539.6 Ų39.612%0.11621%0.21CC..EExtended strand (participates in β ladder)trans-87102165.3-176.9-172.4000108.8K7 S12 L15 L216 V217 V218H5-K7 VanDerWaalsContact CE1-CE 3.41Å; H5-K7 WeakPolarHBondContact CE1-CE 3.46Å; H5-S12 PolarHBondContact CE1-OG 3.13Å; H5-S12 VanDerWaalsContact NE2-CB 3.29Å; H5-S12 WeakPolarHBondContact NE2-CB 3.4Å; H5-S12 PolarHBondContact NE2-OG 2.84Å; H5-L15 HydrophobicContact CB-CD2 3.59Å; H5-L216 PolarHBondContact N-O 3.42Å; H5-V217 HydrophobicContact CB-CG2 4.39Å; H5-V218 PolarHBondContact O-N 2.95Å
6V92.3Very high88.9Confident2 Ų238.1 Ų38.11%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-83.5124.6-178.3-1750000109.4L4 Q13 F14 F16 V31 V218 L220L4-V6 HydrophobicContact CB-CG2 4.47Å; L4-V6 PolarHBondContact O-N 3.48Å; V6-Q13 WeakPolarHBondContact O-CB 3.38Å; V6-Q13 PolarHBondContact O-N 3.39Å; V6-F14 HydrophobicContact CB-CD1 4.24Å; V6-F14 HydrophobicContact CB-CE1 4.07Å; V6-F14 HydrophobicContact CB-CE2 4.42Å; V6-F14 HydrophobicContact CB-CZ 4.18Å; V6-F14 HydrophobicContact CG1-CD1 4.5Å; V6-F14 HydrophobicContact CG1-CE1 3.96Å; V6-F14 HydrophobicContact CG1-CZ 4.2Å; V6-F14 HydrophobicContact CG2-CD2 4.42Å; V6-F14 HydrophobicContact CG2-CE1 4.45Å; V6-F14 HydrophobicContact CG2-CE2 4.02Å; V6-F14 HydrophobicContact CG2-CZ 4.06Å; V6-F14 PolarHBondContact N-O 3.14Å; V6-F14 PolarHBondContact O-N 3.15Å; V6-F16 HydrophobicContact CG2-CB 4.49Å; V6-V31 HydrophobicContact CG1-CG1 3.96Å; V6-V31 HydrophobicContact CG2-CG1 3.94Å; V6-V31 HydrophobicContact CG2-CG2 4.37Å; V6-V218 CarbonylContact C-O 3.57Å; V6-V218 WeakPolarHBondContact CA-O 3.15Å; V6-L220 HydrophobicContact CG1-CB 4.2Å; V6-L220 HydrophobicContact CG1-CD1 4.46Å
7K91.1Very high89Confident22 Ų2240 Ų4010%0.09621%0.212CC..EExtended strand (participates in β ladder)trans-123.3155.8176.8-63.5-165.1175.9-177.20111.1H5 E11 V217 V218 K219 L220 E231H5-K7 VanDerWaalsContact CE1-CE 3.41Å; H5-K7 WeakPolarHBondContact CE1-CE 3.46Å; K7-E11 CarbonylContact C-O 3.34Å; K7-E11 VanDerWaalsContact CA-O 3.23Å; K7-E11 WeakPolarHBondContact CA-O 3.45Å; K7-E11 WeakPolarHBondContact CB-O 3.43Å; K7-V217 HydrophobicContact CD-CG1 3.73Å; K7-V217 HydrophobicContact CG-CG1 4.09Å; K7-V218 PolarHBondContact N-O 2.8Å; K7-K219 HydrophobicContact CB-CG 4.43Å; K7-K219 CarbonylContact O-C 3.57Å; K7-K219 WeakPolarHBondContact O-CA 3.44Å; K7-L220 PolarHBondContact O-N 3.49Å; K7-E231 WeakPolarHBondContact CD-OE1 3.45Å; K7-E231 WeakPolarHBondContact CE-OE1 3.4Å; K7-E231 IonicContact NZ-OE1 3.53Å; K7-E231 PolarHBondContact NZ-OE1 3.05Å; K7-E231 IonicContact NZ-OE2 2.75Å; K7-E231 PolarHBondContact NZ-OE2 3.31Å
8R88Confident89.1Confident53 Ų5338.7 Ų38.720%0.221%0.206CC..EExtended strand (participates in β ladder)trans-127118.8167.6-175.6176.2177.1166.40.4108.2D10 E11 Q13 Y35 L181 Q182R8-D10 PolarHBondContact O-N 3.13Å; R8-E11 PolarHBondContact N-O 3.18Å; R8-E11 PolarHBondContact O-N 3.25Å; R8-Q13 HydrophobicContact CB-CG 4.13Å; R8-Y35 WeakPolarHBondContact CD-OH 3.42Å; R8-Y35 PolarHBondContact NH1-OH 2.89Å; R8-L181 PolarHBondContact NH2-O 3.29Å; R8-Q182 VanDerWaalsContact NH1-CA 3.34Å; R8-Q182 PolarHBondContact NH1-O 3.26Å
9G84.3Confident89.1Confident41 Ų4139.9 Ų39.942%0.42322%0.215SC..THydrogen-bonded Turntrans61.8-116.1-167.100000110.4K219G9-K219 WeakPolarHBondContact O-CE 3.32Å; G9-K219 PolarHBondContact O-NZ 3.07Å
10D81.3Confident88.9Confident97 Ų9738.4 Ų38.452%0.51921%0.207SC..THydrogen-bonded Turntrans-105.8-8.3175.2-61.2-35.9000112.8R8 K219R8-D10 PolarHBondContact O-N 3.13Å; D10-K219 IonicContact OD1-NZ 3.49Å; D10-K219 PolarHBondContact OD1-NZ 3.21Å
11E85.7Confident88.9Confident108 Ų10841 Ų4151%0.50522%0.221SC..EExtended strand (participates in β ladder)trans-79.6130.6-178.9-64.7-168.5177.400112.3K7 R8 K125K7-E11 CarbonylContact C-O 3.34Å; K7-E11 VanDerWaalsContact CA-O 3.23Å; K7-E11 WeakPolarHBondContact CA-O 3.45Å; K7-E11 WeakPolarHBondContact CB-O 3.43Å; R8-E11 PolarHBondContact N-O 3.18Å; R8-E11 PolarHBondContact O-N 3.25Å; E11-K125 IonicContact OE2-NZ 3.5Å; E11-K125 PolarHBondContact OE2-NZ 3.07Å
12S87.9Confident89.2Confident43 Ų4334.6 Ų34.630%0.30119%0.191SC..EExtended strand (participates in β ladder)trans-77.3121.1172.6-60.10000110.2H5H5-S12 PolarHBondContact CE1-OG 3.13Å; H5-S12 VanDerWaalsContact NE2-CB 3.29Å; H5-S12 WeakPolarHBondContact NE2-CB 3.4Å; H5-S12 PolarHBondContact NE2-OG 2.84Å
13Q89.4Confident89.4Confident15 Ų1538.7 Ų38.77%0.0721%0.213CC..EExtended strand (participates in β ladder)trans-95.8-67.5-176-61.4-64.3-22.900110.5V6 R8 Y35 R38V6-Q13 WeakPolarHBondContact O-CB 3.38Å; V6-Q13 PolarHBondContact O-N 3.39Å; R8-Q13 HydrophobicContact CB-CG 4.13Å; Q13-Y35 HydrophobicContact CG-CE2 4.2Å; Q13-R38 VanDerWaalsContact C-NH1 3.32Å; Q13-R38 VanDerWaalsContact O-CZ 3.28Å; Q13-R38 PolarHBondContact O-NH1 2.97Å; Q13-R38 PolarHBondContact O-NH2 3.49Å
14F92.1Very high89.4Confident1 Ų137 Ų370%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-158.8167.4-178.461.3-80.6000112V6 F16 V31 I34 Y35 R38 V134V6-F14 HydrophobicContact CB-CD1 4.24Å; V6-F14 HydrophobicContact CB-CE1 4.07Å; V6-F14 HydrophobicContact CB-CE2 4.42Å; V6-F14 HydrophobicContact CB-CZ 4.18Å; V6-F14 HydrophobicContact CG1-CD1 4.5Å; V6-F14 HydrophobicContact CG1-CE1 3.96Å; V6-F14 HydrophobicContact CG1-CZ 4.2Å; V6-F14 HydrophobicContact CG2-CD2 4.42Å; V6-F14 HydrophobicContact CG2-CE1 4.45Å; V6-F14 HydrophobicContact CG2-CE2 4.02Å; V6-F14 HydrophobicContact CG2-CZ 4.06Å; V6-F14 PolarHBondContact N-O 3.14Å; V6-F14 PolarHBondContact O-N 3.15Å; F14-F16 HydrophobicContact CD2-CB 4.23Å; F14-F16 HydrophobicContact CE2-CB 4.01Å; F14-V31 HydrophobicContact CZ-CG1 3.95Å; F14-I34 HydrophobicContact CD2-CG2 3.92Å; F14-I34 HydrophobicContact CE1-CG2 4.17Å; F14-I34 HydrophobicContact CE2-CB 4.02Å; F14-I34 HydrophobicContact CE2-CD1 4.33Å; F14-I34 HydrophobicContact CE2-CG2 3.51Å; F14-I34 HydrophobicContact CG-CG2 4.39Å; F14-I34 HydrophobicContact CZ-CB 3.95Å; F14-I34 HydrophobicContact CZ-CG2 3.64Å; F14-Y35 HydrophobicContact CE1-CD2 4.29Å; F14-R38 VanDerWaalsContact CD1-NH1 3.33Å; F14-V134 HydrophobicContact CB-CB 4.18Å; F14-V134 HydrophobicContact CB-CG2 3.85Å; F14-V134 HydrophobicContact CD2-CB 4.26Å
15L92.1Very high89.4Confident0 Ų041.2 Ų41.20%022%0.224CC..EExtended strand (participates in β ladder)trans-102140.3170.3-58.7176.4000109.5Q3 L4 H5 A128 N131 C133 V134Q3-L15 HydrophobicContact CG-CB 4.4Å; L4-L15 CarbonylContact O-C 3.44Å; L4-L15 WeakPolarHBondContact O-CA 3.14Å; H5-L15 HydrophobicContact CB-CD2 3.59Å; L15-A128 HydrophobicContact CG-CB 4.24Å; L15-N131 HydrophobicContact CD1-CB 4.37Å; L15-C133 HydrophobicContact CB-CB 4.45Å; L15-C133 CarbonylContact O-C 3.54Å; L15-C133 VanDerWaalsContact O-CA 3.29Å; L15-C133 WeakPolarHBondContact O-CA 3.41Å; L15-V134 PolarHBondContact O-N 3.18Å
16F92.4Very high89.3Confident16 Ų1642 Ų427%0.0723%0.232CC..EExtended strand (participates in β ladder)trans-133.2134.2-179.3176.6-102.9000109.9Q3 L4 V6 F14 V27 Q30 V31 I34Q3-F16 CarbonylContact C-O 2.84Å; L4-F16 HydrophobicContact CB-CB 4.37Å; L4-F16 HydrophobicContact CD1-CD1 4.03Å; L4-F16 HydrophobicContact CG-CD1 4.39Å; L4-F16 PolarHBondContact N-O 3.14Å; L4-F16 PolarHBondContact O-N 3.48Å; V6-F16 HydrophobicContact CG2-CB 4.49Å; F14-F16 HydrophobicContact CD2-CB 4.23Å; F14-F16 HydrophobicContact CE2-CB 4.01Å; F16-V27 HydrophobicContact CE1-CG1 4.29Å; F16-Q30 HydrophobicContact CE2-CB 4.3Å; F16-Q30 HydrophobicContact CZ-CB 4.03Å; F16-Q30 VanDerWaalsContact CZ-OE1 3.28Å; F16-V31 HydrophobicContact CD1-CG2 3.89Å; F16-V31 HydrophobicContact CE1-CG2 4.26Å; F16-V31 HydrophobicContact CG-CG2 4.13Å; F16-I34 HydrophobicContact CD2-CD1 3.63Å; F16-I34 HydrophobicContact CE2-CD1 3.79Å
17N91.3Very high89.2Confident70 Ų7041.9 Ų41.937%0.37423%0.232SC..EExtended strand (participates in β ladder)trans-100.3135.1180-76.3-22.7000110.9C133N17-C133 PolarHBondContact ND2-SG 3.04Å; N17-C133 PolarHBondContact OD1-SG 3.39Å
18T89.8Confident89.3Confident16 Ų1640.9 Ų40.910%0.09823%0.227CC..EExtended strand (participates in β ladder)trans-147.2178.3176.1-166.80000111.7M1 V2 L4 S22 L204M1-T18 CarbonylContact C-O 3.5Å; V2-T18 HydrophobicContact CB-CG2 4.32Å; V2-T18 PolarHBondContact N-O 3.36Å; V2-T18 PolarHBondContact O-N 3.43Å; V2-T18 VanDerWaalsContact O-O 3.12Å; L4-T18 HydrophobicContact CD1-CG2 3.99Å; L4-T18 HydrophobicContact CD2-CG2 4.4Å; L4-T18 HydrophobicContact CG-CG2 3.99Å; T18-S22 WeakPolarHBondContact OG1-CB 3.41Å; T18-S22 PolarHBondContact OG1-OG 2.92Å; T18-L204 HydrophobicContact CG2-CD2 3.83Å
19T88.8Confident89.5Confident62 Ų6242 Ų4238%0.3824%0.235SC..  trans-108156175.959.80000110.4D21 S22T19-D21 PolarHBondContact O-N 3.15Å; T19-S22 WeakPolarHBondContact O-CB 3.14Å; T19-S22 PolarHBondContact O-N 2.84Å; T19-S22 PolarHBondContact O-OG 2.9Å
20T86.8Confident89.8Confident10 Ų1044.6 Ų44.66%0.06124%0.236CC..THydrogen-bonded Turntrans-65.8-28.4177.244.50000112.5V2 S22 Q205 N211 E212V2-T20 HydrophobicContact CG2-CG2 3.47Å; V2-T20 VanDerWaalsContact CG2-CG2 3.47Å; T20-S22 VanDerWaalsContact C-N 3.27Å; T20-S22 PolarHBondContact O-N 2.73Å; T20-Q205 WeakPolarHBondContact O-CB 3.24Å; T20-Q205 PolarHBondContact O-N 2.91Å; T20-N211 WeakPolarHBondContact CG2-O 3.13Å; T20-E212 HydrophobicContact CG2-CG 4.02Å
21D88.5Confident90.3Very high92 Ų9240 Ų4049%0.49221%0.211SC..THydrogen-bonded Turntrans-78.2-12179.4-165.444.8000113.6T19 K203T19-D21 PolarHBondContact O-N 3.15Å; D21-K203 IonicContact OD1-NZ 2.67Å; D21-K203 PolarHBondContact OD1-NZ 3.02Å; D21-K203 IonicContact OD2-NZ 3.89Å
22S88.8Confident90.6Very high17 Ų1734.9 Ų34.912%0.11919%0.187CC..SBendtrans-60.8140.4179.665.30000112T18 T19 T20 V27 L204T18-S22 WeakPolarHBondContact OG1-CB 3.41Å; T18-S22 PolarHBondContact OG1-OG 2.92Å; T19-S22 WeakPolarHBondContact O-CB 3.14Å; T19-S22 PolarHBondContact O-N 2.84Å; T19-S22 PolarHBondContact O-OG 2.9Å; T20-S22 VanDerWaalsContact C-N 3.27Å; T20-S22 PolarHBondContact O-N 2.73Å; S22-V27 VanDerWaalsContact OG-CG2 3.29Å; S22-V27 WeakPolarHBondContact OG-CG2 3.15Å; S22-L204 PolarHBondContact O-N 3.46Å; S22-L204 VanDerWaalsContact O-N 3.14Å
23L92.2Very high90.8Very high86 Ų8634.1 Ų34.145%0.4518%0.184SC..BIsolated β-bridgetrans-71.3132.3173.4-69.9166.5000109E25 S26 V27 K203L23-E25 PolarHBondContact O-N 3.09Å; L23-E25 VanDerWaalsContact O-N 3.13Å; L23-S26 PolarHBondContact O-N 3.13Å; L23-S26 VanDerWaalsContact O-N 3.09Å; L23-S26 PolarHBondContact O-OG 2.82Å; L23-V27 PolarHBondContact O-N 3.3Å; L23-V27 VanDerWaalsContact O-N 3.13Å; L23-K203 HydrophobicContact CD2-CG 4.02Å
24L89.9Confident91Very high0 Ų033.5 Ų33.50%018%0.181CC..Hα-helixtrans-57.7-31.5178.5-84.9166.3000112.3V27 I28 M198 Q199 K202 L204 Y207L24-V27 PolarHBondContact O-N 3.4Å; L24-I28 WeakPolarHBondContact O-CB 3.34Å; L24-I28 WeakPolarHBondContact O-CD1 3.31Å; L24-I28 WeakPolarHBondContact O-CG1 3.29Å; L24-I28 PolarHBondContact O-N 3.1Å; L24-M198 HydrophobicContact CD1-CB 3.94Å; L24-M198 HydrophobicContact CD2-CB 3.91Å; L24-M198 HydrophobicContact CD2-CE 4.01Å; L24-M198 HydrophobicContact CD2-CG 4.42Å; L24-M198 HydrophobicContact CD2-SD 3.78Å; L24-Q199 WeakPolarHBondContact CD1-O 3.29Å; L24-K202 WeakPolarHBondContact CB-O 3.25Å; L24-K202 HydrophobicContact CD1-CB 4.03Å; L24-K202 PolarHBondContact N-O 3.25Å; L24-L204 HydrophobicContact CD2-CD1 3.8Å; L24-Y207 HydrophobicContact CD1-CD2 3.87Å; L24-Y207 HydrophobicContact CD1-CE2 3.49Å; L24-Y207 VanDerWaalsContact CD1-CE2 3.49Å
25E91.2Very high91Very high90 Ų9033.8 Ų33.842%0.42118%0.182SC..Hα-helixtrans-59.8-49.9175.6-174.9169.2-165.400112.4L23 V27 I28 Q29L23-E25 PolarHBondContact O-N 3.09Å; L23-E25 VanDerWaalsContact O-N 3.13Å; E25-V27 VanDerWaalsContact C-N 3.31Å; E25-V27 PolarHBondContact O-N 2.95Å; E25-I28 PolarHBondContact O-N 3.28Å; E25-Q29 WeakPolarHBondContact O-CG 3.39Å; E25-Q29 PolarHBondContact O-N 3.41Å
26S91.5Very high91Very high40 Ų4035.4 Ų35.428%0.2819%0.191SC..Hα-helixtrans-62.9-37.1175.561.20000112.8L23 Q29 Q30L23-S26 PolarHBondContact O-N 3.13Å; L23-S26 VanDerWaalsContact O-N 3.09Å; L23-S26 PolarHBondContact O-OG 2.82Å; S26-Q29 PolarHBondContact O-N 2.66Å; S26-Q30 WeakPolarHBondContact O-CB 3.31Å; S26-Q30 VanDerWaalsContact O-CG 3.26Å; S26-Q30 WeakPolarHBondContact O-CG 3.49Å; S26-Q30 PolarHBondContact O-N 3.29Å
27V91.2Very high90.9Very high0 Ų035.2 Ų35.20%019%0.194CC..Hα-helixtrans-67.4-43.1177.7173.40000110.3L4 F16 S22 L23 L24 E25 Q30 V31 L191L4-V27 HydrophobicContact CD1-CG1 3.59Å; F16-V27 HydrophobicContact CE1-CG1 4.29Å; S22-V27 VanDerWaalsContact OG-CG2 3.29Å; S22-V27 WeakPolarHBondContact OG-CG2 3.15Å; L23-V27 PolarHBondContact O-N 3.3Å; L23-V27 VanDerWaalsContact O-N 3.13Å; L24-V27 PolarHBondContact O-N 3.4Å; E25-V27 VanDerWaalsContact C-N 3.31Å; E25-V27 PolarHBondContact O-N 2.95Å; V27-Q30 PolarHBondContact O-N 3.25Å; V27-V31 HydrophobicContact CG1-CG2 4.17Å; V27-V31 VanDerWaalsContact O-CB 3.28Å; V27-V31 WeakPolarHBondContact O-CB 3.47Å; V27-V31 WeakPolarHBondContact O-CG2 3.33Å; V27-V31 PolarHBondContact O-N 3.13Å; V27-L191 HydrophobicContact CG1-CD1 4.42Å
28I91.8Very high90.9Very high1 Ų132.3 Ų32.31%0.00518%0.177CC..Hα-helixtrans-61.8-49.5176.7-67.9160.7000109.7L24 E25 Q30 V31 T32 C189 L191 R200L24-I28 WeakPolarHBondContact O-CB 3.34Å; L24-I28 WeakPolarHBondContact O-CD1 3.31Å; L24-I28 WeakPolarHBondContact O-CG1 3.29Å; L24-I28 PolarHBondContact O-N 3.1Å; E25-I28 PolarHBondContact O-N 3.28Å; I28-Q30 PolarHBondContact O-N 2.93Å; I28-V31 PolarHBondContact O-N 2.68Å; I28-T32 WeakPolarHBondContact O-CB 3.44Å; I28-T32 PolarHBondContact O-N 2.97Å; I28-T32 PolarHBondContact O-OG1 3.47Å; I28-C189 HydrophobicContact CG2-CB 3.94Å; I28-L191 HydrophobicContact CB-CD1 4.38Å; I28-L191 HydrophobicContact CG1-CB 4.49Å; I28-L191 HydrophobicContact CG1-CD1 3.48Å; I28-L191 VanDerWaalsContact CG1-CD1 3.48Å; I28-L191 HydrophobicContact CG1-CG 3.84Å; I28-R200 HydrophobicContact CD1-CG 3.78Å; I28-R200 VanDerWaalsContact CG2-NH2 3.33Å
29Q91.8Very high90.9Very high77 Ų7732.4 Ų32.436%0.3618%0.177SC..Hα-helixtrans-54.7-50177-74.6171.8-19.200111.9E25 S26 T32 A33E25-Q29 WeakPolarHBondContact O-CG 3.39Å; E25-Q29 PolarHBondContact O-N 3.41Å; S26-Q29 PolarHBondContact O-N 2.66Å; Q29-T32 PolarHBondContact O-N 3.41Å; Q29-A33 WeakPolarHBondContact O-CB 3.33Å; Q29-A33 PolarHBondContact O-N 2.77Å
30Q91.9Very high91Very high95 Ų9530.5 Ų30.544%0.44416%0.163SC..Hα-helixtrans-64.4-43.8-179.7-72.1173.7-9.500112.4F16 S26 V27 I28 A33 I34F16-Q30 HydrophobicContact CE2-CB 4.3Å; F16-Q30 HydrophobicContact CZ-CB 4.03Å; F16-Q30 VanDerWaalsContact CZ-OE1 3.28Å; S26-Q30 WeakPolarHBondContact O-CB 3.31Å; S26-Q30 VanDerWaalsContact O-CG 3.26Å; S26-Q30 WeakPolarHBondContact O-CG 3.49Å; S26-Q30 PolarHBondContact O-N 3.29Å; V27-Q30 PolarHBondContact O-N 3.25Å; I28-Q30 PolarHBondContact O-N 2.93Å; Q30-A33 PolarHBondContact O-N 3.18Å; Q30-I34 WeakPolarHBondContact O-CB 3.44Å; Q30-I34 WeakPolarHBondContact O-CD1 3.26Å; Q30-I34 VanDerWaalsContact O-CG1 3.24Å; Q30-I34 WeakPolarHBondContact O-CG1 3.18Å; Q30-I34 PolarHBondContact O-N 3.44Å
31V92.2Very high91.3Very high1 Ų130 Ų301%0.00616%0.16CC..Hα-helixtrans-65.7-43.7178.61690000111V6 F14 F16 V27 I28 I34 Y35 L191 L220V6-V31 HydrophobicContact CG1-CG1 3.96Å; V6-V31 HydrophobicContact CG2-CG1 3.94Å; V6-V31 HydrophobicContact CG2-CG2 4.37Å; F14-V31 HydrophobicContact CZ-CG1 3.95Å; F16-V31 HydrophobicContact CD1-CG2 3.89Å; F16-V31 HydrophobicContact CE1-CG2 4.26Å; F16-V31 HydrophobicContact CG-CG2 4.13Å; V27-V31 HydrophobicContact CG1-CG2 4.17Å; V27-V31 VanDerWaalsContact O-CB 3.28Å; V27-V31 WeakPolarHBondContact O-CB 3.47Å; V27-V31 WeakPolarHBondContact O-CG2 3.33Å; V27-V31 PolarHBondContact O-N 3.13Å; I28-V31 PolarHBondContact O-N 2.68Å; V31-I34 PolarHBondContact O-N 2.78Å; V31-Y35 VanDerWaalsContact O-CB 3.27Å; V31-Y35 WeakPolarHBondContact O-CB 3.36Å; V31-Y35 PolarHBondContact O-N 3.33Å; V31-L191 HydrophobicContact CG1-CD2 4.22Å; V31-L220 HydrophobicContact CG1-CD1 3.75Å
32T92.1Very high91.4Very high0 Ų029.2 Ų29.20%016%0.156CC..Hα-helixtrans-62.9-45.1176.5-57.90000111I28 Q29 Y35 N36 I184 E186 C189I28-T32 WeakPolarHBondContact O-CB 3.44Å; I28-T32 PolarHBondContact O-N 2.97Å; I28-T32 PolarHBondContact O-OG1 3.47Å; Q29-T32 PolarHBondContact O-N 3.41Å; T32-Y35 PolarHBondContact O-N 3.15Å; T32-N36 WeakPolarHBondContact O-CB 3.28Å; T32-N36 PolarHBondContact O-N 3.07Å; T32-I184 VanDerWaalsContact CG2-O 3.22Å; T32-I184 WeakPolarHBondContact CG2-O 3.25Å; T32-E186 HydrophobicContact CG2-CG 4.26Å; T32-C189 HydrophobicContact CG2-CB 4.35Å; T32-C189 VanDerWaalsContact OG1-CB 3.31Å; T32-C189 WeakPolarHBondContact OG1-CB 3.02Å; T32-C189 PolarHBondContact OG1-SG 3.02Å
33A92.3Very high91.5Very high28 Ų2830.2 Ų30.223%0.23116%0.157CC..Hα-helixtrans-66.4-39.9-179.400000111.8Q29 Q30 G37 M136Q29-A33 WeakPolarHBondContact O-CB 3.33Å; Q29-A33 PolarHBondContact O-N 2.77Å; Q30-A33 PolarHBondContact O-N 3.18Å; A33-G37 PolarHBondContact O-N 2.86Å; A33-M136 HydrophobicContact CB-CE 3.19Å
34I92.6Very high91.4Very high1 Ų126.1 Ų26.11%0.00514%0.136CC..Hα-helixtrans-64-44.7171.8-68.1164.7000110.4F14 F16 Q30 V31 G37 R38 V134 M136 V139F14-I34 HydrophobicContact CD2-CG2 3.92Å; F14-I34 HydrophobicContact CE1-CG2 4.17Å; F14-I34 HydrophobicContact CE2-CB 4.02Å; F14-I34 HydrophobicContact CE2-CD1 4.33Å; F14-I34 HydrophobicContact CE2-CG2 3.51Å; F14-I34 HydrophobicContact CG-CG2 4.39Å; F14-I34 HydrophobicContact CZ-CB 3.95Å; F14-I34 HydrophobicContact CZ-CG2 3.64Å; F16-I34 HydrophobicContact CD2-CD1 3.63Å; F16-I34 HydrophobicContact CE2-CD1 3.79Å; Q30-I34 WeakPolarHBondContact O-CB 3.44Å; Q30-I34 WeakPolarHBondContact O-CD1 3.26Å; Q30-I34 VanDerWaalsContact O-CG1 3.24Å; Q30-I34 WeakPolarHBondContact O-CG1 3.18Å; Q30-I34 PolarHBondContact O-N 3.44Å; V31-I34 PolarHBondContact O-N 2.78Å; I34-G37 PolarHBondContact O-N 3.39Å; I34-R38 HydrophobicContact CG2-CG 4.4Å; I34-R38 VanDerWaalsContact O-CG 3.24Å; I34-R38 WeakPolarHBondContact O-CG 3.28Å; I34-R38 PolarHBondContact O-N 3.46Å; I34-V134 HydrophobicContact CG2-CB 4.45Å; I34-V134 HydrophobicContact CG2-CG1 3.89Å; I34-M136 HydrophobicContact CG1-CB 4.36Å; I34-M136 HydrophobicContact CG1-CE 4.37Å; I34-V139 HydrophobicContact CG2-CG2 4.31Å
35Y92.3Very high91.5Very high7 Ų726.1 Ų26.13%0.02714%0.136CC..Hα-helixtrans-60.2-50.8-179.8-179.2-106.8000112.1R8 Q13 F14 V31 T32 R38 L39 Q182 I184 L220R8-Y35 WeakPolarHBondContact CD-OH 3.42Å; R8-Y35 PolarHBondContact NH1-OH 2.89Å; Q13-Y35 HydrophobicContact CG-CE2 4.2Å; F14-Y35 HydrophobicContact CE1-CD2 4.29Å; V31-Y35 VanDerWaalsContact O-CB 3.27Å; V31-Y35 WeakPolarHBondContact O-CB 3.36Å; V31-Y35 PolarHBondContact O-N 3.33Å; T32-Y35 PolarHBondContact O-N 3.15Å; Y35-R38 PolarHBondContact O-N 3.21Å; Y35-L39 HydrophobicContact CD1-CD1 4.18Å; Y35-L39 HydrophobicContact CE1-CD1 3.61Å; Y35-L39 HydrophobicContact CE1-CG 4.39Å; Y35-L39 PolarHBondContact O-N 2.6Å; Y35-L39 VanDerWaalsContact O-N 3.15Å; Y35-Q182 WeakPolarHBondContact CE1-O 3.44Å; Y35-I184 HydrophobicContact CE1-CD1 4.11Å; Y35-L220 HydrophobicContact CD1-CD2 3.94Å; Y35-L220 HydrophobicContact CE1-CD2 4.04Å; Y35-L220 HydrophobicContact CG-CD2 4.22Å
36N91.3Very high91.5Very high35 Ų3525.2 Ų25.219%0.18714%0.14CC..Hα-helixtrans-66.7-39.3178.3-68.1-18.6000111.8T32 R38 L39 K40 I184T32-N36 WeakPolarHBondContact O-CB 3.28Å; T32-N36 PolarHBondContact O-N 3.07Å; N36-R38 VanDerWaalsContact C-N 3.31Å; N36-R38 PolarHBondContact O-N 2.74Å; N36-L39 WeakPolarHBondContact O-CB 3.35Å; N36-L39 PolarHBondContact O-N 2.98Å; N36-K40 PolarHBondContact O-N 3.08Å; N36-I184 PolarHBondContact ND2-O 2.85Å; N36-I184 PolarHBondContact OD1-N 3.37Å; N36-I184 PolarHBondContact OD1-O 3.35Å
37G90.9Very high91.4Very high12 Ų1224.9 Ų24.912%0.12413%0.134CC..Hα-helixtrans-63.2-35.7176.400000112.9A33 I34 K40 V41A33-G37 PolarHBondContact O-N 2.86Å; I34-G37 PolarHBondContact O-N 3.39Å; G37-K40 WeakPolarHBondContact O-CB 3.01Å; G37-K40 PolarHBondContact O-N 2.88Å; G37-V41 WeakPolarHBondContact O-CG2 3.49Å; G37-V41 PolarHBondContact O-N 2.87Å
38R91.4Very high91.4Very high9 Ų924.9 Ų24.93%0.03413%0.134CC..Hα-helixtrans-65-44171.9-70.8177.969-139.812111.9Q13 F14 I34 Y35 N36 K40 V41 D42 I123 V139Q13-R38 VanDerWaalsContact C-NH1 3.32Å; Q13-R38 VanDerWaalsContact O-CZ 3.28Å; Q13-R38 PolarHBondContact O-NH1 2.97Å; Q13-R38 PolarHBondContact O-NH2 3.49Å; F14-R38 VanDerWaalsContact CD1-NH1 3.33Å; I34-R38 HydrophobicContact CG2-CG 4.4Å; I34-R38 VanDerWaalsContact O-CG 3.24Å; I34-R38 WeakPolarHBondContact O-CG 3.28Å; I34-R38 PolarHBondContact O-N 3.46Å; Y35-R38 PolarHBondContact O-N 3.21Å; N36-R38 VanDerWaalsContact C-N 3.31Å; N36-R38 PolarHBondContact O-N 2.74Å; R38-K40 VanDerWaalsContact C-N 3.27Å; R38-K40 PolarHBondContact O-N 2.8Å; R38-V41 PolarHBondContact O-N 2.96Å; R38-D42 PolarHBondContact O-N 3.44Å; R38-I123 HydrophobicContact CB-CG2 3.67Å; R38-I123 HydrophobicContact CG-CB 4.43Å; R38-I123 HydrophobicContact CG-CG1 4.2Å; R38-I123 HydrophobicContact CG-CG2 3.6Å; R38-I123 VanDerWaalsContact CZ-O 3.26Å; R38-I123 PolarHBondContact NE-O 3.31Å; R38-I123 PolarHBondContact NH2-O 3.42Å; R38-V139 HydrophobicContact CG-CG2 4.15Å
39L90.6Very high91.3Very high17 Ų1726.4 Ų26.49%0.08914%0.144CC..Hα-helixtrans-59.6-40.2174.9-67.8177000111.6Y35 N36 D42 R43 Q182 V183Y35-L39 HydrophobicContact CD1-CD1 4.18Å; Y35-L39 HydrophobicContact CE1-CD1 3.61Å; Y35-L39 HydrophobicContact CE1-CG 4.39Å; Y35-L39 PolarHBondContact O-N 2.6Å; Y35-L39 VanDerWaalsContact O-N 3.15Å; N36-L39 WeakPolarHBondContact O-CB 3.35Å; N36-L39 PolarHBondContact O-N 2.98Å; L39-D42 PolarHBondContact O-N 2.82Å; L39-R43 WeakPolarHBondContact O-CG 3.1Å; L39-R43 PolarHBondContact O-N 3.29Å; L39-Q182 HydrophobicContact CD1-CB 3.95Å; L39-Q182 HydrophobicContact CD2-CB 4.47Å; L39-V183 HydrophobicContact CD1-CG2 4.24Å
40K90.8Very high91.2Very high22 Ų2226 Ų2610%0.09614%0.141CC..Hα-helixtrans-60.1-48.3175.7-171.1177.8-171.8-179.50112.2N36 G37 R38 D42 R43 I44 L143 E167 D170N36-K40 PolarHBondContact O-N 3.08Å; G37-K40 WeakPolarHBondContact O-CB 3.01Å; G37-K40 PolarHBondContact O-N 2.88Å; R38-K40 VanDerWaalsContact C-N 3.27Å; R38-K40 PolarHBondContact O-N 2.8Å; K40-D42 VanDerWaalsContact C-N 3.33Å; K40-D42 PolarHBondContact O-N 2.78Å; K40-R43 PolarHBondContact O-N 2.88Å; K40-I44 HydrophobicContact CG-CD1 4.24Å; K40-I44 WeakPolarHBondContact O-CG1 3.36Å; K40-I44 PolarHBondContact O-N 2.96Å; K40-L143 HydrophobicContact CD-CD2 4.46Å; K40-L143 HydrophobicContact CG-CD2 4.47Å; K40-E167 WeakPolarHBondContact CE-O 3.43Å; K40-E167 WeakPolarHBondContact CG-OE2 3.31Å; K40-E167 PolarHBondContact NZ-O 2.91Å; K40-D170 IonicContact NZ-OD1 3.32Å; K40-D170 PolarHBondContact NZ-OD1 3.44Å
41V91.9Very high91.1Very high0 Ų021.4 Ų21.40%012%0.12CC..Hα-helixtrans-61.7-42.3175.6174.20000111.6G37 R38 R43 I44 C45 A119 I123 V139 A142 L143 L146G37-V41 WeakPolarHBondContact O-CG2 3.49Å; G37-V41 PolarHBondContact O-N 2.87Å; R38-V41 PolarHBondContact O-N 2.96Å; V41-R43 VanDerWaalsContact C-N 3.32Å; V41-R43 PolarHBondContact O-N 2.9Å; V41-I44 PolarHBondContact O-N 3.49Å; V41-C45 WeakPolarHBondContact O-CB 3.45Å; V41-C45 PolarHBondContact O-N 3.36Å; V41-C45 PolarHBondContact O-SG 2.75Å; V41-A119 HydrophobicContact CG1-CB 4.31Å; V41-I123 HydrophobicContact CB-CD1 3.54Å; V41-I123 HydrophobicContact CG1-CD1 3.59Å; V41-I123 HydrophobicContact CG2-CD1 3.48Å; V41-I123 VanDerWaalsContact CG2-CD1 3.48Å; V41-V139 HydrophobicContact CG2-CG1 4.49Å; V41-A142 HydrophobicContact CG2-CB 4.38Å; V41-L143 HydrophobicContact CG2-CD2 3.5Å; V41-L143 VanDerWaalsContact CG2-CD2 3.5Å; V41-L143 HydrophobicContact CG2-CG 3.65Å; V41-L146 HydrophobicContact CG1-CD1 3.89Å
42D91.1Very high90.9Very high75 Ų7521.4 Ų21.440%0.40112%0.12SC..Hα-helixtrans-60.7-40.5177.5-79.2-21.4000111.9R38 L39 K40 C45 S46R38-D42 PolarHBondContact O-N 3.44Å; L39-D42 PolarHBondContact O-N 2.82Å; K40-D42 VanDerWaalsContact C-N 3.33Å; K40-D42 PolarHBondContact O-N 2.78Å; D42-C45 PolarHBondContact O-N 3.25Å; D42-S46 PolarHBondContact O-N 2.99Å
43R89.8Confident90.8Very high38 Ų3823.9 Ų23.914%0.14313%0.133CC..Hα-helixtrans-63.5-51.3175.5-72.3-171.1-54.8-100.31.4112L39 K40 V41 C45 S46 E47 E167 E172L39-R43 WeakPolarHBondContact O-CG 3.1Å; L39-R43 PolarHBondContact O-N 3.29Å; K40-R43 PolarHBondContact O-N 2.88Å; V41-R43 VanDerWaalsContact C-N 3.32Å; V41-R43 PolarHBondContact O-N 2.9Å; R43-C45 PolarHBondContact O-N 2.79Å; R43-S46 WeakPolarHBondContact O-CB 3.22Å; R43-S46 PolarHBondContact O-N 2.77Å; R43-S46 PolarHBondContact O-OG 3.44Å; R43-E47 PolarHBondContact O-N 2.89Å; R43-E167 IonicContact CZ-OE1 2.6Å; R43-E167 IonicContact CZ-OE2 3.47Å; R43-E167 IonicContact NE-OE1 3.17Å; R43-E167 PolarHBondContact NE-OE1 2.8Å; R43-E167 IonicContact NE-OE2 2.56Å; R43-E167 PolarHBondContact NE-OE2 2.89Å; R43-E167 IonicContact NH2-OE1 2.92Å; R43-E167 IonicContact NH2-OE2 3.95Å; R43-E167 PolarHBondContact NH2-OE2 3.4Å; R43-E172 IonicContact CZ-OE1 3.25Å; R43-E172 IonicContact NH2-OE1 3.88Å; R43-E172 PolarHBondContact NH2-OE1 2.92Å; R43-E172 IonicContact NH2-OE2 2.83Å; R43-E172 PolarHBondContact NH2-OE2 3.33Å
44I91Very high90.6Very high1 Ų124.8 Ų24.81%0.00513%0.133CC..Hα-helixtrans-56.9-43.4177.1-65.6165.7000110.3K40 V41 S46 E47 I48 L143 L146 I164 E167 F168K40-I44 HydrophobicContact CG-CD1 4.24Å; K40-I44 WeakPolarHBondContact O-CG1 3.36Å; K40-I44 PolarHBondContact O-N 2.96Å; V41-I44 PolarHBondContact O-N 3.49Å; I44-S46 PolarHBondContact O-N 3.4Å; I44-E47 PolarHBondContact O-N 3.49Å; I44-E47 VanDerWaalsContact O-N 3.14Å; I44-I48 HydrophobicContact CG2-CD1 3.59Å; I44-I48 HydrophobicContact CG2-CG1 4.12Å; I44-I48 WeakPolarHBondContact O-CG1 3.27Å; I44-I48 PolarHBondContact O-N 3.45Å; I44-L143 HydrophobicContact CD1-CD2 3.72Å; I44-L146 HydrophobicContact CB-CD1 4.37Å; I44-L146 HydrophobicContact CG2-CB 4.48Å; I44-L146 HydrophobicContact CG2-CD1 3.91Å; I44-I164 HydrophobicContact CG2-CG2 4.26Å; I44-E167 HydrophobicContact CD1-CB 4.08Å; I44-E167 HydrophobicContact CG1-CB 3.83Å; I44-E167 HydrophobicContact CG1-CG 4.3Å; I44-F168 HydrophobicContact CD1-CD1 4.05Å; I44-F168 HydrophobicContact CD1-CE1 3.76Å; I44-F168 HydrophobicContact CD1-CZ 4.37Å; I44-F168 HydrophobicContact CG2-CZ 4.25Å
45C91.8Very high90.3Very high0 Ų024.8 Ų24.80%013%0.133CC..Hα-helixtrans-68.2-15.4178.3-75.10000114.6V41 D42 R43 P49 V116 K120V41-C45 WeakPolarHBondContact O-CB 3.45Å; V41-C45 PolarHBondContact O-N 3.36Å; V41-C45 PolarHBondContact O-SG 2.75Å; D42-C45 PolarHBondContact O-N 3.25Å; R43-C45 PolarHBondContact O-N 2.79Å; C45-P49 WeakPolarHBondContact O-CD 3.39Å; C45-V116 HydrophobicContact CB-CG1 3.93Å; C45-K120 HydrophobicContact CB-CD 4.5Å; C45-K120 VanDerWaalsContact CB-CE 3.48Å; C45-K120 HydrophobicContact CB-CG 4.18Å
46S90.5Very high90.1Very high71 Ų7124.5 Ų24.550%0.49713%0.132SC..Hα-helixtrans-85.7-28.9171.769.40000112.7D42 R43 I44 P49D42-S46 PolarHBondContact O-N 2.99Å; R43-S46 WeakPolarHBondContact O-CB 3.22Å; R43-S46 PolarHBondContact O-N 2.77Å; R43-S46 PolarHBondContact O-OG 3.44Å; I44-S46 PolarHBondContact O-N 3.4Å; S46-P49 WeakPolarHBondContact O-CD 3.42Å
47E89.8Confident89.9Confident33 Ų3322.9 Ų22.915%0.15412%0.123CC..Hα-helixtrans-88.7-30.2-178.8-71.5-74.117300113.3R43 I44 E50 L51 R98 R99 P163 I164R43-E47 PolarHBondContact O-N 2.89Å; I44-E47 PolarHBondContact O-N 3.49Å; I44-E47 VanDerWaalsContact O-N 3.14Å; E47-E50 PolarHBondContact O-N 2.94Å; E47-E50 VanDerWaalsContact O-N 3.16Å; E47-L51 PolarHBondContact O-N 2.84Å; E47-R98 IonicContact OE1-CZ 3.21Å; E47-R98 IonicContact OE1-NH1 2.84Å; E47-R98 PolarHBondContact OE1-NH1 3.37Å; E47-R98 IonicContact OE1-NH2 2.85Å; E47-R98 PolarHBondContact OE1-NH2 3.25Å; E47-R98 IonicContact OE2-CZ 2.67Å; E47-R98 IonicContact OE2-NH1 3.6Å; E47-R98 PolarHBondContact OE2-NH1 2.87Å; E47-R98 IonicContact OE2-NH2 2.74Å; E47-R99 PolarHBondContact O-NH2 3.13Å; E47-R99 IonicContact OE2-NH2 2.73Å; E47-R99 PolarHBondContact OE2-NH2 2.89Å; E47-P163 HydrophobicContact CG-CB 4.27Å; E47-I164 HydrophobicContact CB-CD1 4.07Å; E47-I164 HydrophobicContact CB-CG1 3.73Å
48I90.7Very high89.7Confident0 Ų023.2 Ų23.20%012%0.122CC..Hα-helixtrans-58.4-39.3179.4-73.1168.1000114I44 E50 L51 A52 L112 V116 L146 I164I44-I48 HydrophobicContact CG2-CD1 3.59Å; I44-I48 HydrophobicContact CG2-CG1 4.12Å; I44-I48 WeakPolarHBondContact O-CG1 3.27Å; I44-I48 PolarHBondContact O-N 3.45Å; I48-E50 VanDerWaalsContact C-N 3.31Å; I48-E50 PolarHBondContact O-N 2.86Å; I48-L51 WeakPolarHBondContact O-CB 3.43Å; I48-L51 PolarHBondContact O-N 2.85Å; I48-A52 WeakPolarHBondContact O-CB 3.19Å; I48-A52 PolarHBondContact O-N 2.81Å; I48-L112 HydrophobicContact CG2-CB 3.82Å; I48-L112 HydrophobicContact CG2-CD2 4.16Å; I48-L112 HydrophobicContact CG2-CG 4.38Å; I48-V116 HydrophobicContact CB-CG2 3.72Å; I48-V116 HydrophobicContact CD1-CG2 3.76Å; I48-V116 HydrophobicContact CG1-CG2 4.35Å; I48-V116 HydrophobicContact CG2-CG2 3.46Å; I48-V116 VanDerWaalsContact CG2-CG2 3.46Å; I48-L146 HydrophobicContact CD1-CB 4.48Å; I48-L146 HydrophobicContact CD1-CD2 3.71Å; I48-I164 HydrophobicContact CG1-CD1 3.91Å
49P90.9Very high89.4Confident33 Ų3323.4 Ų23.421%0.21412%0.124CC..Hα-helixtrans-58.2-42.4174.5-26.435.7000112.7C45 S46 L51 A52 D53 M113C45-P49 WeakPolarHBondContact O-CD 3.39Å; S46-P49 WeakPolarHBondContact O-CD 3.42Å; P49-L51 VanDerWaalsContact C-N 3.34Å; P49-L51 PolarHBondContact O-N 2.75Å; P49-A52 PolarHBondContact O-N 3.49Å; P49-A52 VanDerWaalsContact O-N 3.16Å; P49-D53 PolarHBondContact O-N 2.89Å; P49-M113 HydrophobicContact CB-SD 4.23Å; P49-M113 HydrophobicContact CG-SD 4.26Å
50E89.5Confident89.1Confident67 Ų6727.1 Ų27.131%0.31315%0.15SC..Hα-helixtrans-65.3-39.3176.3-58.5-174.8-178.600111.5E47 I48 A52 D53 H54 R98 R99E47-E50 PolarHBondContact O-N 2.94Å; E47-E50 VanDerWaalsContact O-N 3.16Å; I48-E50 VanDerWaalsContact C-N 3.31Å; I48-E50 PolarHBondContact O-N 2.86Å; E50-A52 VanDerWaalsContact C-N 3.3Å; E50-A52 PolarHBondContact O-N 3.22Å; E50-D53 PolarHBondContact O-N 3.45Å; E50-H54 PolarHBondContact O-N 2.72Å; E50-R98 IonicContact OE2-NH1 3.62Å; E50-R98 PolarHBondContact OE2-NH1 3.27Å; E50-R99 WeakPolarHBondContact O-CD 3.41Å; E50-R99 IonicContact OE2-NE 3.49Å; E50-R99 PolarHBondContact OE2-NE 2.88Å; E50-R99 IonicContact OE2-NH2 3.95Å
51L89.2Confident88.8Confident0 Ų030.7 Ų30.70%017%0.17CC..Hα-helixtrans-59.8-41.3172.2178.370.5000111.6E47 I48 P49 D53 G55 V56 R99 Y154 L158 I164E47-L51 PolarHBondContact O-N 2.84Å; I48-L51 WeakPolarHBondContact O-CB 3.43Å; I48-L51 PolarHBondContact O-N 2.85Å; P49-L51 VanDerWaalsContact C-N 3.34Å; P49-L51 PolarHBondContact O-N 2.75Å; L51-D53 VanDerWaalsContact C-N 3.34Å; L51-G55 WeakPolarHBondContact CD1-O 3.34Å; L51-G55 VanDerWaalsContact O-CA 3.3Å; L51-G55 WeakPolarHBondContact O-CA 3.24Å; L51-G55 PolarHBondContact O-N 3.26Å; L51-V56 HydrophobicContact CD1-CG1 4.1Å; L51-R99 VanDerWaalsContact CA-NH1 3.3Å; L51-Y154 HydrophobicContact CD1-CE2 3.74Å; L51-Y154 HydrophobicContact CD2-CD2 4.3Å; L51-Y154 HydrophobicContact CD2-CE2 3.91Å; L51-Y154 HydrophobicContact CG-CE2 3.86Å; L51-L158 HydrophobicContact CD1-CD2 3.89Å; L51-L158 HydrophobicContact CD2-CD1 4.24Å; L51-L158 HydrophobicContact CD2-CD2 4.11Å; L51-I164 HydrophobicContact CB-CD1 3.93Å; L51-I164 HydrophobicContact CD2-CD1 3.66Å; L51-I164 HydrophobicContact CG-CD1 4.32Å
52A89.4Confident88.2Confident0 Ų031.2 Ų31.20%017%0.172CC..Hα-helixtrans-73.4-25.9-178.800000113.2I48 P49 E50 P104 K109 L112I48-A52 WeakPolarHBondContact O-CB 3.19Å; I48-A52 PolarHBondContact O-N 2.81Å; P49-A52 PolarHBondContact O-N 3.49Å; P49-A52 VanDerWaalsContact O-N 3.16Å; E50-A52 VanDerWaalsContact C-N 3.3Å; E50-A52 PolarHBondContact O-N 3.22Å; A52-P104 WeakPolarHBondContact O-CD 3.47Å; A52-K109 HydrophobicContact CB-CB 4.38Å; A52-K109 HydrophobicContact CB-CG 3.99Å; A52-L112 HydrophobicContact CB-CB 4.39Å; A52-L112 HydrophobicContact CB-CD1 3.9Å
53D89.4Confident87.8Confident52 Ų5231 Ų3128%0.27817%0.169SC..Hα-helixtrans-92.8-35-179.9-83.2-35.5000114.2P49 E50 L51 R92 A103 K109P49-D53 PolarHBondContact O-N 2.89Å; E50-D53 PolarHBondContact O-N 3.45Å; L51-D53 VanDerWaalsContact C-N 3.34Å; D53-R92 WeakPolarHBondContact O-CB 3.27Å; D53-R92 VanDerWaalsContact O-CD 3.29Å; D53-R92 WeakPolarHBondContact O-CD 3.44Å; D53-R92 IonicContact OD1-NH1 2.78Å; D53-A103 VanDerWaalsContact O-CB 3.22Å; D53-A103 WeakPolarHBondContact O-CB 3.13Å; D53-K109 VanDerWaalsContact OD1-CE 3.25Å; D53-K109 WeakPolarHBondContact OD1-CE 3.46Å; D53-K109 IonicContact OD1-NZ 3.84Å; D53-K109 PolarHBondContact OD1-NZ 2.73Å; D53-K109 IonicContact OD2-NZ 3.74Å
54H87.4Confident87.3Confident48 Ų4832.1 Ų32.122%0.22219%0.192CC..Hα-helixtrans-128.4-1.6-169.6-58.9-64.1000114.2E50 R92 K93 D94 R99 N100 G101 H102E50-H54 PolarHBondContact O-N 2.72Å; H54-R92 PolarHBondContact ND1-O 3.25Å; H54-K93 PolarHBondContact ND1-O 3.28Å; H54-D94 HydrophobicContact CB-CB 4.09Å; H54-R99 HydrophobicContact CB-CB 3.81Å; H54-R99 HydrophobicContact CB-CG 4.45Å; H54-N100 PolarHBondContact O-OD1 3.37Å; H54-G101 CarbonylContact O-C 3.57Å; H54-G101 WeakPolarHBondContact O-CA 3.49Å; H54-G101 PolarHBondContact O-N 3.46Å; H54-H102 PolarHBondContact O-N 2.93Å
55G86.9Confident86.9Confident0 Ų034.5 Ų34.50%020%0.204CC..  trans81.8-160.5178.300000114L51 R99 H102L51-G55 WeakPolarHBondContact CD1-O 3.34Å; L51-G55 VanDerWaalsContact O-CA 3.3Å; L51-G55 WeakPolarHBondContact O-CA 3.24Å; L51-G55 PolarHBondContact O-N 3.26Å; G55-R99 VanDerWaalsContact O-CD 3.32Å; G55-R99 WeakPolarHBondContact O-CD 3.47Å; G55-R99 PolarHBondContact O-NH1 3.28Å; G55-H102 WeakPolarHBondContact CA-O 3.47Å
56V87.4Confident86.3Confident1 Ų137.9 Ų37.91%0.00623%0.225CC..SBendtrans-73.6154.2-171-62.50000112.3L51 C83 R99 N100 Y154 L158 P159L51-V56 HydrophobicContact CD1-CG1 4.1Å; V56-C83 HydrophobicContact CG1-CB 4.1Å; V56-C83 HydrophobicContact CG2-CB 4.39Å; V56-R99 WeakPolarHBondContact O-CA 3.29Å; V56-R99 WeakPolarHBondContact O-CB 3.19Å; V56-N100 WeakPolarHBondContact CG2-ND2 3.48Å; V56-N100 PolarHBondContact N-OD1 3.47Å; V56-N100 PolarHBondContact O-N 3.45Å; V56-N100 PolarHBondContact O-OD1 3.26Å; V56-Y154 HydrophobicContact CG1-CD1 4.21Å; V56-Y154 HydrophobicContact CG1-CE1 3.71Å; V56-L158 HydrophobicContact CG1-CD2 3.86Å; V56-P159 HydrophobicContact CB-CG 3.98Å; V56-P159 HydrophobicContact CG1-CG 4.41Å; V56-P159 HydrophobicContact CG2-CG 4.19Å
57T87.6Confident85.6Confident1 Ų139.3 Ų39.31%0.00623%0.227CC..BIsolated β-bridgetrans-66.5136178.9-51.50000111R98 H161 D162 P163T57-R98 HydrophobicContact CG2-CG 4.35Å; T57-H161 PolarHBondContact O-NE2 3.19Å; T57-D162 WeakPolarHBondContact CB-OD2 3.33Å; T57-D162 PolarHBondContact N-OD2 3.03Å; T57-D162 VanDerWaalsContact N-OD2 3.14Å; T57-D162 VanDerWaalsContact OG1-CG 3.32Å; T57-D162 PolarHBondContact OG1-OD2 3.03Å; T57-P163 WeakPolarHBondContact OG1-CD 3.49Å
58L86.3Confident85.1Confident20 Ų2045.4 Ų45.411%0.10526%0.256CS..PPolyproline II helixtrans-69.1152.4173.5-76.6167.9000110.9M62 Q63 R98 N100 H161L58-M62 HydrophobicContact CB-CB 4.48Å; L58-Q63 HydrophobicContact CB-CG 4.07Å; L58-Q63 PolarHBondContact O-NE2 2.97Å; L58-R98 WeakPolarHBondContact CB-O 3.47Å; L58-R98 PolarHBondContact N-O 3.3Å; L58-N100 HydrophobicContact CD2-CB 3.73Å; L58-N100 HydrophobicContact CG-CB 4.13Å; L58-H161 VanDerWaalsContact C-NE2 3.35Å; L58-H161 PolarHBondContact O-CD2 2.9Å; L58-H161 VanDerWaalsContact O-CD2 3.27Å; L58-H161 PolarHBondContact O-NE2 3.38Å
59P85.6Confident84.5Confident13 Ų1349.3 Ų49.38%0.08427%0.274CS..PPolyproline II helixtrans-52.8142.8170.7-30.138.8000112.5N61 M62 Q63P59-N61 WeakPolarHBondContact CB-OD1 3.37Å; P59-N61 PolarHBondContact O-N 2.7Å; P59-M62 HydrophobicContact CB-SD 4.46Å; P59-M62 HydrophobicContact CG-SD 4.21Å; P59-M62 PolarHBondContact O-N 3.43Å; P59-Q63 PolarHBondContact O-N 2.98Å
60P84.8Confident83.9Confident95 Ų9549 Ų4962%0.61727%0.27SS*.THydrogen-bonded Turntrans-56-27-175.3-28.335.1000115.4M62 H161P60-M62 VanDerWaalsContact C-N 3.29Å; P60-H161 HydrophobicContact CG-CB 4.35Å
61N83.3Confident83.4Confident96 Ų9651.2 Ų51.251%0.51329%0.288SS..THydrogen-bonded Turntrans-76-12.3175.859.6-33.6000114.1P59 L65P59-N61 WeakPolarHBondContact CB-OD1 3.37Å; P59-N61 PolarHBondContact O-N 2.7Å; N61-L65 WeakPolarHBondContact O-CD1 3.24Å
62M80.1Confident83.1Confident11 Ų1158.7 Ų58.75%0.05432%0.323CS..THydrogen-bonded Turntrans-110.5-14.9-179.7-66.81767000113.1L58 P59 P60 G64 L65 I70 L75 D77L58-M62 HydrophobicContact CB-CB 4.48Å; P59-M62 HydrophobicContact CB-SD 4.46Å; P59-M62 HydrophobicContact CG-SD 4.21Å; P59-M62 PolarHBondContact O-N 3.43Å; P60-M62 VanDerWaalsContact C-N 3.29Å; M62-G64 PolarHBondContact O-N 2.76Å; M62-L65 PolarHBondContact O-N 3.19Å; M62-I70 HydrophobicContact CE-CD1 4.25Å; M62-I70 HydrophobicContact CE-CG1 4.48Å; M62-I70 HydrophobicContact CE-CG2 3.71Å; M62-L75 HydrophobicContact CE-CB 4.23Å; M62-L75 HydrophobicContact CG-CB 3.8Å; M62-L75 HydrophobicContact CG-CD1 3.87Å; M62-L75 HydrophobicContact CG-CG 4.4Å; M62-L75 HydrophobicContact SD-CB 3.96Å; M62-D77 HydrophobicContact CE-CB 4.42Å; M62-D77 HydrophobicContact SD-CB 4.36Å
63Q82.4Confident82.6Confident72 Ų7263.7 Ų63.734%0.33635%0.349SS..THydrogen-bonded Turntrans-64.4131.5179.9-69176.91900111.5L58 P59 L65L58-Q63 HydrophobicContact CB-CG 4.07Å; L58-Q63 PolarHBondContact O-NE2 2.97Å; P59-Q63 PolarHBondContact O-N 2.98Å; Q63-L65 VanDerWaalsContact C-N 3.25Å; Q63-L65 PolarHBondContact O-N 2.97Å
64G79.6Confident82.1Confident60 Ų6069.7 Ų69.762%0.61937%0.372SS*.THydrogen-bonded Turntrans755176.600000115.8M62 G97M62-G64 PolarHBondContact O-N 2.76Å; G64-G97 PolarHBondContact N-O 3.07Å
65L81.5Confident81.7Confident51 Ų5169.6 Ų69.627%0.26737%0.374SS..  trans-84.8150.4170.1-64.7179.5000110.7N61 M62 Q63 Q69 I70 L73 L75N61-L65 WeakPolarHBondContact O-CD1 3.24Å; M62-L65 PolarHBondContact O-N 3.19Å; Q63-L65 VanDerWaalsContact C-N 3.25Å; Q63-L65 PolarHBondContact O-N 2.97Å; L65-Q69 HydrophobicContact CB-CB 4.26Å; L65-Q69 HydrophobicContact CD2-CB 4.46Å; L65-I70 HydrophobicContact CB-CD1 4.34Å; L65-I70 HydrophobicContact CB-CG1 3.88Å; L65-I70 HydrophobicContact CD1-CG1 4.39Å; L65-L73 HydrophobicContact CD1-CD1 4.02Å; L65-L75 HydrophobicContact CD1-CD1 3.78Å
66T79.6Confident81.2Confident71 Ų7178.1 Ų78.144%0.43641%0.411SS..  trans-75.7155.5171.262.70000111.1E68 Q69 I70T66-E68 PolarHBondContact O-N 2.98Å; T66-E68 VanDerWaalsContact O-N 3.09Å; T66-Q69 VanDerWaalsContact N-OE1 3.11Å; T66-Q69 PolarHBondContact O-N 3.2Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.23Å; T66-Q69 PolarHBondContact OG1-N 2.6Å; T66-I70 PolarHBondContact O-N 3.42Å
67D76.8Confident80.7Confident101 Ų10178.8 Ų78.854%0.5441%0.414SS..Hα-helixtrans-52.5-34.4176.2-56.6-28.5000111.4V71 K93D67-V71 WeakPolarHBondContact O-CG2 3.39Å; D67-V71 PolarHBondContact O-N 2.89Å; D67-K93 IonicContact OD2-NZ 3.44Å; D67-K93 PolarHBondContact OD2-NZ 3.05Å
68E78.9Confident80.1Confident162 Ų16285.5 Ų85.576%0.75745%0.445SS*.Hα-helixtrans-67.8-44.1176.4-62.1177178.900112.9T66 I70 V71 E72T66-E68 PolarHBondContact O-N 2.98Å; T66-E68 VanDerWaalsContact O-N 3.09Å; E68-I70 VanDerWaalsContact C-N 3.34Å; E68-V71 PolarHBondContact O-N 3.18Å; E68-E72 WeakPolarHBondContact O-CB 3.41Å; E68-E72 PolarHBondContact O-N 3.41Å
69Q77.6Confident79.7Confident81 Ų8187.9 Ų87.938%0.37945%0.453SS..Hα-helixtrans-66.3-37.2178.1-73.5172.2-23.100111.8L65 T66 V71 E72 L73L65-Q69 HydrophobicContact CB-CB 4.26Å; L65-Q69 HydrophobicContact CD2-CB 4.46Å; T66-Q69 VanDerWaalsContact N-OE1 3.11Å; T66-Q69 PolarHBondContact O-N 3.2Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.23Å; T66-Q69 PolarHBondContact OG1-N 2.6Å; Q69-V71 VanDerWaalsContact C-N 3.33Å; Q69-E72 PolarHBondContact O-N 2.89Å; Q69-L73 VanDerWaalsContact O-CB 3.28Å; Q69-L73 WeakPolarHBondContact O-CB 3.42Å; Q69-L73 VanDerWaalsContact O-CG 3.25Å; Q69-L73 WeakPolarHBondContact O-CG 3.39Å; Q69-L73 PolarHBondContact O-N 3.35Å
70I79.4Confident79.1Confident27 Ų2791.1 Ų91.114%0.13847%0.467CS..Hα-helixtrans-62.3-43.6176.6-69.6170.7000110.5M62 L65 T66 E68 K74 L75M62-I70 HydrophobicContact CE-CD1 4.25Å; M62-I70 HydrophobicContact CE-CG1 4.48Å; M62-I70 HydrophobicContact CE-CG2 3.71Å; L65-I70 HydrophobicContact CB-CD1 4.34Å; L65-I70 HydrophobicContact CB-CG1 3.88Å; L65-I70 HydrophobicContact CD1-CG1 4.39Å; T66-I70 PolarHBondContact O-N 3.42Å; E68-I70 VanDerWaalsContact C-N 3.34Å; I70-K74 PolarHBondContact O-N 2.94Å; I70-L75 HydrophobicContact CG2-CB 4.31Å; I70-L75 PolarHBondContact O-N 3.37Å; I70-L75 VanDerWaalsContact O-N 3.09Å
71V79.1Confident78.5Confident113 Ų11394.7 Ų94.769%0.68548%0.476SS*.Hα-helixtrans-67.1-41.9177.1173.60000111.4D67 E68 Q69 K74D67-V71 WeakPolarHBondContact O-CG2 3.39Å; D67-V71 PolarHBondContact O-N 2.89Å; E68-V71 PolarHBondContact O-N 3.18Å; Q69-V71 VanDerWaalsContact C-N 3.33Å; V71-K74 PolarHBondContact O-N 2.96Å
72E81.9Confident78.2Confident158 Ų15897.1 Ų97.174%0.73848%0.478SS*.Hα-helixtrans-63.5-44.3178-172.5176.2-169.700112E68 Q69 K74E68-E72 WeakPolarHBondContact O-CB 3.41Å; E68-E72 PolarHBondContact O-N 3.41Å; Q69-E72 PolarHBondContact O-N 2.89Å; E72-K74 PolarHBondContact O-N 3.15Å
73L79.6Confident78.1Confident105 Ų10597 Ų9755%0.5548%0.478SS..THydrogen-bonded Turntrans-78.5-5.2178-64.6172.2000113.1L65 Q69 L75L65-L73 HydrophobicContact CD1-CD1 4.02Å; Q69-L73 VanDerWaalsContact O-CB 3.28Å; Q69-L73 WeakPolarHBondContact O-CB 3.42Å; Q69-L73 VanDerWaalsContact O-CG 3.25Å; Q69-L73 WeakPolarHBondContact O-CG 3.39Å; Q69-L73 PolarHBondContact O-N 3.35Å; L73-L75 HydrophobicContact CB-CD1 4.02Å; L73-L75 HydrophobicContact CB-CG 3.81Å; L73-L75 HydrophobicContact CD1-CD1 4.13Å; L73-L75 PolarHBondContact O-N 3.22Å
74K78.6Confident77.8Confident177 Ų17797.5 Ų97.577%0.7748%0.482SS*.THydrogen-bonded Turntrans52.235-177.9-58178.1-178.1175.40112.8I70 V71 E72I70-K74 PolarHBondContact O-N 2.94Å; V71-K74 PolarHBondContact O-N 2.96Å; E72-K74 PolarHBondContact O-N 3.15Å
75L79.4Confident78Confident47 Ų4794.9 Ų94.925%0.24645%0.454CS..  trans-74.2134.9176.4-62.3173.2000108.6M62 L65 I70 L73M62-L75 HydrophobicContact CE-CB 4.23Å; M62-L75 HydrophobicContact CG-CB 3.8Å; M62-L75 HydrophobicContact CG-CD1 3.87Å; M62-L75 HydrophobicContact CG-CG 4.4Å; M62-L75 HydrophobicContact SD-CB 3.96Å; L65-L75 HydrophobicContact CD1-CD1 3.78Å; I70-L75 HydrophobicContact CG2-CB 4.31Å; I70-L75 PolarHBondContact O-N 3.37Å; I70-L75 VanDerWaalsContact O-N 3.09Å; L73-L75 HydrophobicContact CB-CD1 4.02Å; L73-L75 HydrophobicContact CB-CG 3.81Å; L73-L75 HydrophobicContact CD1-CD1 4.13Å; L73-L75 PolarHBondContact O-N 3.22Å
76K74.8Confident77.9Confident179 Ų17994 Ų9478%0.77845%0.452SS*.  trans-125.1136.9177.6-68.2-171.7176.1-170.50108.9E78K76-E78 PolarHBondContact O-N 3.38Å
77D77.8Confident77.6Confident14 Ų1493.8 Ų93.88%0.07546%0.464CS..  trans-82.2110.5171.8-170.8-4.3000109.3M62 W79 E80M62-D77 HydrophobicContact CE-CB 4.42Å; M62-D77 HydrophobicContact SD-CB 4.36Å; D77-W79 PolarHBondContact O-N 2.92Å; D77-W79 WeakPolarHBondContact OD1-CB 3.48Å; D77-W79 PolarHBondContact OD1-N 3.41Å; D77-E80 HydrophobicContact CB-CB 4Å
78E75.4Confident77.8Confident143 Ų14390.7 Ų90.767%0.66846%0.455SS*.SBendtrans-72.5-15.1177.8-59.9-176.3169.400112.7K76K76-E78 PolarHBondContact O-N 3.38Å
79W77.8Confident77.9Confident69 Ų6987.5 Ų87.526%0.26144%0.441SS..SBendtrans-99.4-15.2-175.6-62.994000113.3D77 E81 R82 C83 P159 P160 H161D77-W79 PolarHBondContact O-N 2.92Å; D77-W79 WeakPolarHBondContact OD1-CB 3.48Å; D77-W79 PolarHBondContact OD1-N 3.41Å; W79-E81 VanDerWaalsContact C-N 3.33Å; W79-E81 PolarHBondContact O-N 3.27Å; W79-R82 HydrophobicContact CE3-CB 4.38Å; W79-R82 PolarHBondContact O-N 2.82Å; W79-R82 VanDerWaalsContact O-N 3.08Å; W79-C83 WeakPolarHBondContact O-CB 3.29Å; W79-C83 PolarHBondContact O-N 3.22Å; W79-P159 HydrophobicContact CB-CB 4.2Å; W79-P159 HydrophobicContact CB-CG 3.97Å; W79-P159 HydrophobicContact CD2-CB 4.19Å; W79-P159 HydrophobicContact CG-CB 4.01Å; W79-P159 HydrophobicContact CG-CG 4.32Å; W79-P160 HydrophobicContact CH2-CG 4.2Å; W79-P160 HydrophobicContact CZ2-CG 3.66Å; W79-H161 AromaticContact CD1-CE1 3.86Å
80E73.1Confident78.3Confident81 Ų8186.5 Ų86.538%0.37944%0.437SS..THydrogen-bonded Turntrans-54.6-47.2176.8-171.2176.2-175.200111.5D77 R82 H102D77-E80 HydrophobicContact CB-CB 4Å; E80-R82 VanDerWaalsContact C-N 3.33Å; E80-R82 PolarHBondContact O-N 3.37Å; E80-H102 IonicContact OE1-CD2 3Å; E80-H102 PolarHBondContact OE1-CD2 3.13Å; E80-H102 IonicContact OE1-CE1 3.47Å; E80-H102 IonicContact OE1-NE2 3.61Å; E80-H102 PolarHBondContact OE1-NE2 3.46Å
81E71.4Confident78.6Confident171 Ų17192 Ų9280%0.79946%0.46SS*.THydrogen-bonded Turntrans-75.6-19.5179.1-64.1-177.3176.900113.7W79 I84W79-E81 VanDerWaalsContact C-N 3.33Å; W79-E81 PolarHBondContact O-N 3.27Å; E81-I84 WeakPolarHBondContact O-CD1 3.46Å
82R76.7Confident78.8Confident147 Ų14789.9 Ų89.956%0.55544%0.44SS*.THydrogen-bonded Turntrans-92.6-34.3-176-67.2-176.7178.8177.43.7112.4W79 E80 I84 M156W79-R82 HydrophobicContact CE3-CB 4.38Å; W79-R82 PolarHBondContact O-N 2.82Å; W79-R82 VanDerWaalsContact O-N 3.08Å; E80-R82 VanDerWaalsContact C-N 3.33Å; E80-R82 PolarHBondContact O-N 3.37Å; R82-I84 PolarHBondContact O-N 3.31Å; R82-M156 WeakPolarHBondContact O-CB 3.11Å
83C77.9Confident78.8Confident8 Ų888.2 Ų88.25%0.05443%0.43CS..  trans-104.354.5-170.8-66.30000111.5V56 W79 Y154 G157 P159V56-C83 HydrophobicContact CG1-CB 4.1Å; V56-C83 HydrophobicContact CG2-CB 4.39Å; W79-C83 WeakPolarHBondContact O-CB 3.29Å; W79-C83 PolarHBondContact O-N 3.22Å; C83-Y154 WeakPolarHBondContact O-CE1 3.24Å; C83-G157 PolarHBondContact SG-O 3.41Å; C83-P159 HydrophobicContact CB-CG 4.49Å
84I77.8Confident78.9Confident82 Ų8283.9 Ų83.942%0.42141%0.408SS..PPolyproline II helixtrans-82.3131.3179.8-55.1170.4000109.4E81 R82E81-I84 WeakPolarHBondContact O-CD1 3.46Å; R82-I84 PolarHBondContact O-N 3.31Å
85P82.6Confident78.8Confident5 Ų584.7 Ų84.73%0.03241%0.414CS..PPolyproline II helixtrans-67.7142.9176.426.6-32.8000112.1G87 G88 E89 P104 V153 Y154P85-G87 PolarHBondContact O-N 2.98Å; P85-G88 PolarHBondContact O-N 3.28Å; P85-E89 HydrophobicContact CG-CB 4.05Å; P85-P104 HydrophobicContact CB-CB 3.86Å; P85-V153 CarbonylContact C-O 3.52Å; P85-V153 VanDerWaalsContact CA-O 3.23Å; P85-V153 WeakPolarHBondContact CA-O 3.31Å; P85-V153 HydrophobicContact CB-CG1 4.28Å; P85-Y154 HydrophobicContact CB-CD1 4.45Å; P85-Y154 HydrophobicContact CB-CE1 3.9Å; P85-Y154 HydrophobicContact CG-CE1 4.4Å
86S79.4Confident78.8Confident34 Ų3488.6 Ų88.624%0.23843%0.434CS..THydrogen-bonded Turntrans-56.5121.3173.1-71.90000110.7M108 I152 V153 P155S86-M108 WeakPolarHBondContact O-CG 3.41Å; S86-I152 VanDerWaalsContact CB-O 3.25Å; S86-I152 WeakPolarHBondContact CB-O 3.34Å; S86-I152 PolarHBondContact OG-O 3.39Å; S86-V153 PolarHBondContact N-O 3.43Å; S86-P155 VanDerWaalsContact OG-CD 3.27Å; S86-P155 WeakPolarHBondContact OG-CD 3.45Å
87G74.6Confident78.9Confident66 Ų6681.2 Ų81.268%0.6841%0.408SS*.THydrogen-bonded Turntrans89.612.6177.700000115.2P85P85-G87 PolarHBondContact O-N 2.98Å
88G79.2Confident79.2Confident35 Ų3583.7 Ų83.736%0.36142%0.417SS..  trans98.4157171.500000113.6P85P85-G88 PolarHBondContact O-N 3.28Å
89E82.1Confident79.6Confident96 Ų9677.1 Ų77.145%0.44939%0.386SS..EExtended strand (participates in β ladder)trans-95.4143.6179.466.7-164.8-17400111.7P85 H102 A103P85-E89 HydrophobicContact CG-CB 4.05Å; E89-H102 HydrophobicContact CB-CB 4.18Å; E89-H102 IonicContact OE1-CE1 3.56Å; E89-H102 IonicContact OE1-ND1 3Å; E89-H102 IonicContact OE2-CG 2.98Å; E89-H102 IonicContact OE2-ND1 2.96Å; E89-A103 WeakPolarHBondContact CA-O 3.44Å
90I85.3Confident79.8Confident60 Ų6075 Ų7531%0.30838%0.38SS..EExtended strand (participates in β ladder)trans-118122.5171-59.1178000106.8R92 A103I90-R92 HydrophobicContact CG2-CG 4.49Å; I90-R92 PolarHBondContact O-N 2.84Å; I90-A103 PolarHBondContact N-O 2.67Å; I90-A103 WeakPolarHBondContact O-CB 3.48Å; I90-A103 PolarHBondContact O-N 3.17Å
91F86.3Confident80.2Confident141 Ų14171.1 Ų71.162%0.61836%0.362SS*.EExtended strand (participates in β ladder)trans-71.3115.9179.7-172.6-103.3000111.2K93 G101F91-K93 HydrophobicContact CE1-CB 4.11Å; F91-K93 HydrophobicContact CZ-CB 4.16Å; F91-G101 CarbonylContact C-O 3.58Å; F91-G101 WeakPolarHBondContact CA-O 3.43Å
92R83.7Confident80.9Confident69 Ų6964.3 Ų64.326%0.2633%0.33SS..  trans-134.695.6173.8-73.9-174-175.9152.49.9109D53 H54 I90 D94 G101 A103 D106D53-R92 WeakPolarHBondContact O-CB 3.27Å; D53-R92 VanDerWaalsContact O-CD 3.29Å; D53-R92 WeakPolarHBondContact O-CD 3.44Å; D53-R92 IonicContact OD1-NH1 2.78Å; H54-R92 PolarHBondContact ND1-O 3.25Å; I90-R92 HydrophobicContact CG2-CG 4.49Å; I90-R92 PolarHBondContact O-N 2.84Å; R92-D94 PolarHBondContact O-N 3.13Å; R92-G101 CarbonylContact C-O 3.59Å; R92-G101 PolarHBondContact N-O 3.4Å; R92-G101 WeakPolarHBondContact O-CA 3.47Å; R92-A103 HydrophobicContact CB-CB 4.18Å; R92-A103 HydrophobicContact CG-CB 4.35Å; R92-D106 IonicContact CZ-OD1 3.86Å; R92-D106 IonicContact NH2-OD1 2.99Å; R92-D106 PolarHBondContact NH2-OD1 3Å
93K80.4Confident81.4Confident123 Ų12357.3 Ų57.354%0.53530%0.303SS..  trans-55.2133.5-179.2-175.1164-178.9161.30111.3H54 D67 F91H54-K93 PolarHBondContact ND1-O 3.28Å; D67-K93 IonicContact OD2-NZ 3.44Å; D67-K93 PolarHBondContact OD2-NZ 3.05Å; F91-K93 HydrophobicContact CE1-CB 4.11Å; F91-K93 HydrophobicContact CZ-CB 4.16Å
94D81.9Confident81.9Confident14 Ų1456.9 Ų56.98%0.07530%0.301CS..  trans-79.7127.2169.8-178.38.3000109.5H54 R92 I96 G97 R98 R99H54-D94 HydrophobicContact CB-CB 4.09Å; R92-D94 PolarHBondContact O-N 3.13Å; D94-I96 VanDerWaalsContact C-N 3.25Å; D94-I96 PolarHBondContact O-N 2.75Å; D94-I96 WeakPolarHBondContact OD1-CB 2.78Å; D94-I96 PolarHBondContact OD1-N 2.93Å; D94-G97 PolarHBondContact OD2-N 3.47Å; D94-R98 WeakPolarHBondContact OD2-CA 3.41Å; D94-R98 PolarHBondContact OD2-N 3.18Å; D94-R99 HydrophobicContact CB-CB 4.36Å; D94-R99 PolarHBondContact OD2-N 2.67Å
95E77.8Confident82.5Confident194 Ų19455.7 Ų55.791%0.90730%0.295SS*.SBendtrans-70.8-25.4177.4-64.3-174.5174.300112
96I77.9Confident82.8Confident130 Ų13059.1 Ų59.167%0.66731%0.313SS*.SBendtrans-86.1-21.4-177.7-57.6174.2000110.8D94 R98D94-I96 VanDerWaalsContact C-N 3.25Å; D94-I96 PolarHBondContact O-N 2.75Å; D94-I96 WeakPolarHBondContact OD1-CB 2.78Å; D94-I96 PolarHBondContact OD1-N 2.93Å; I96-R98 VanDerWaalsContact C-N 3.34Å; I96-R98 HydrophobicContact CG2-CB 4.33Å
97G78.1Confident83.3Confident23 Ų2365 Ų6524%0.23734%0.335CS..SBendtrans69.929.5-178.300000113.4G64 D94G64-G97 PolarHBondContact N-O 3.07Å; D94-G97 PolarHBondContact OD2-N 3.47Å
98R83.1Confident83.9Confident66 Ų6664.1 Ų64.125%0.24931%0.313CS..  trans-93.4-33.5176.5-174.3-175.6179.3-156.75.7111.4E47 E50 T57 L58 D94 I96 P163E47-R98 IonicContact OE1-CZ 3.21Å; E47-R98 IonicContact OE1-NH1 2.84Å; E47-R98 PolarHBondContact OE1-NH1 3.37Å; E47-R98 IonicContact OE1-NH2 2.85Å; E47-R98 PolarHBondContact OE1-NH2 3.25Å; E47-R98 IonicContact OE2-CZ 2.67Å; E47-R98 IonicContact OE2-NH1 3.6Å; E47-R98 PolarHBondContact OE2-NH1 2.87Å; E47-R98 IonicContact OE2-NH2 2.74Å; E50-R98 IonicContact OE2-NH1 3.62Å; E50-R98 PolarHBondContact OE2-NH1 3.27Å; T57-R98 HydrophobicContact CG2-CG 4.35Å; L58-R98 WeakPolarHBondContact CB-O 3.47Å; L58-R98 PolarHBondContact N-O 3.3Å; D94-R98 WeakPolarHBondContact OD2-CA 3.41Å; D94-R98 PolarHBondContact OD2-N 3.18Å; I96-R98 VanDerWaalsContact C-N 3.34Å; I96-R98 HydrophobicContact CG2-CB 4.33Å; R98-P163 VanDerWaalsContact NH2-CG 3.29Å
99R85.3Confident84.5Confident5 Ų564.9 Ų64.92%0.01931%0.307CS..BIsolated β-bridgetrans-111.9158.9-177.6-67174.7178.1-87.6-0.1111.8E47 E50 L51 H54 G55 V56 D94 G101 D162E47-R99 PolarHBondContact O-NH2 3.13Å; E47-R99 IonicContact OE2-NH2 2.73Å; E47-R99 PolarHBondContact OE2-NH2 2.89Å; E50-R99 WeakPolarHBondContact O-CD 3.41Å; E50-R99 IonicContact OE2-NE 3.49Å; E50-R99 PolarHBondContact OE2-NE 2.88Å; E50-R99 IonicContact OE2-NH2 3.95Å; L51-R99 VanDerWaalsContact CA-NH1 3.3Å; H54-R99 HydrophobicContact CB-CB 3.81Å; H54-R99 HydrophobicContact CB-CG 4.45Å; G55-R99 VanDerWaalsContact O-CD 3.32Å; G55-R99 WeakPolarHBondContact O-CD 3.47Å; G55-R99 PolarHBondContact O-NH1 3.28Å; V56-R99 WeakPolarHBondContact O-CA 3.29Å; V56-R99 WeakPolarHBondContact O-CB 3.19Å; D94-R99 HydrophobicContact CB-CB 4.36Å; D94-R99 PolarHBondContact OD2-N 2.67Å; R99-G101 VanDerWaalsContact C-N 3.27Å; R99-G101 PolarHBondContact O-N 3.07Å; R99-D162 IonicContact NH1-OD2 2.79Å
100N81.2Confident85Confident24 Ų2466.8 Ų66.813%0.12832%0.316CS..  trans-76-13.1-172.169.6-7.5000114.2H54 V56 L58 H102H54-N100 PolarHBondContact O-OD1 3.37Å; V56-N100 WeakPolarHBondContact CG2-ND2 3.48Å; V56-N100 PolarHBondContact N-OD1 3.47Å; V56-N100 PolarHBondContact O-N 3.45Å; V56-N100 PolarHBondContact O-OD1 3.26Å; L58-N100 HydrophobicContact CD2-CB 3.73Å; L58-N100 HydrophobicContact CG-CB 4.13Å; N100-H102 VanDerWaalsContact C-N 3.34Å; N100-H102 PolarHBondContact OD1-N 3.21Å
101G82.3Confident85.3Confident1 Ų166.4 Ų66.41%0.0132%0.316CS..SBendtrans84.22.7179.900000114.4H54 F91 R92 R99 A103H54-G101 CarbonylContact O-C 3.57Å; H54-G101 WeakPolarHBondContact O-CA 3.49Å; H54-G101 PolarHBondContact O-N 3.46Å; F91-G101 CarbonylContact C-O 3.58Å; F91-G101 WeakPolarHBondContact CA-O 3.43Å; R92-G101 CarbonylContact C-O 3.59Å; R92-G101 PolarHBondContact N-O 3.4Å; R92-G101 WeakPolarHBondContact O-CA 3.47Å; R99-G101 VanDerWaalsContact C-N 3.27Å; R99-G101 PolarHBondContact O-N 3.07Å; G101-A103 PolarHBondContact O-N 3.25Å
102H84.8Confident85.6Confident27 Ų2759.7 Ų59.713%0.12529%0.287CS..EExtended strand (participates in β ladder)trans-91.581178.9-66.6-56.6000110.6H54 G55 E80 E89 N100H54-H102 PolarHBondContact O-N 2.93Å; G55-H102 WeakPolarHBondContact CA-O 3.47Å; E80-H102 IonicContact OE1-CD2 3Å; E80-H102 PolarHBondContact OE1-CD2 3.13Å; E80-H102 IonicContact OE1-CE1 3.47Å; E80-H102 IonicContact OE1-NE2 3.61Å; E80-H102 PolarHBondContact OE1-NE2 3.46Å; E89-H102 HydrophobicContact CB-CB 4.18Å; E89-H102 IonicContact OE1-CE1 3.56Å; E89-H102 IonicContact OE1-ND1 3Å; E89-H102 IonicContact OE2-CG 2.98Å; E89-H102 IonicContact OE2-ND1 2.96Å; N100-H102 VanDerWaalsContact C-N 3.34Å; N100-H102 PolarHBondContact OD1-N 3.21Å
103A87.4Confident86.1Confident0 Ų059.3 Ų59.30%029%0.289CS..EExtended strand (participates in β ladder)trans-76.8150.8-175.100000112.2D53 E89 I90 R92 G101D53-A103 VanDerWaalsContact O-CB 3.22Å; D53-A103 WeakPolarHBondContact O-CB 3.13Å; E89-A103 WeakPolarHBondContact CA-O 3.44Å; I90-A103 PolarHBondContact N-O 2.67Å; I90-A103 WeakPolarHBondContact O-CB 3.48Å; I90-A103 PolarHBondContact O-N 3.17Å; R92-A103 HydrophobicContact CB-CB 4.18Å; R92-A103 HydrophobicContact CG-CB 4.35Å; G101-A103 PolarHBondContact O-N 3.25Å
104P88.7Confident86.7Confident0 Ų061.2 Ų61.20%029%0.292CS..EExtended strand (participates in β ladder)trans-68.2157.5172.230.1-35.4000112A52 P85 M108 L112 V153A52-P104 WeakPolarHBondContact O-CD 3.47Å; P85-P104 HydrophobicContact CB-CB 3.86Å; P104-M108 HydrophobicContact CB-CB 4.01Å; P104-L112 HydrophobicContact CG-CD1 4.41Å; P104-V153 HydrophobicContact CB-CG1 3.59Å; P104-V153 HydrophobicContact CG-CG1 4.15Å
105N90.2Very high87.3Confident57 Ų5761.6 Ų61.631%0.30530%0.295SS..PPolyproline II helixtrans-58153174.5-166.3-11.8000111.9K107 M108 K109N105-K107 PolarHBondContact O-N 2.74Å; N105-K107 VanDerWaalsContact O-N 3.11Å; N105-M108 WeakPolarHBondContact O-CA 3.39Å; N105-M108 PolarHBondContact O-N 2.85Å; N105-K109 PolarHBondContact O-N 2.69Å
106D89.2Confident88Confident77 Ų7752.5 Ų52.541%0.41225%0.253SS..Hα-helixtrans-54.5-37.2-175.1-68-32.2000112.7R92 M108 K109 E110R92-D106 IonicContact CZ-OD1 3.86Å; R92-D106 IonicContact NH2-OD1 2.99Å; R92-D106 PolarHBondContact NH2-OD1 3Å; D106-M108 PolarHBondContact O-N 2.84Å; D106-K109 WeakPolarHBondContact O-CB 3.41Å; D106-K109 PolarHBondContact O-N 3.18Å; D106-E110 WeakPolarHBondContact O-CG 3.3Å; D106-E110 PolarHBondContact O-N 2.81Å
107K89.1Confident88.8Confident158 Ų15852.6 Ų52.669%0.68725%0.251SS*.Hα-helixtrans-62.8-40.3174.6-66.2-176.9-179.3178.60113.1N105 V111N105-K107 PolarHBondContact O-N 2.74Å; N105-K107 VanDerWaalsContact O-N 3.11Å; K107-V111 WeakPolarHBondContact O-CG2 3.32Å; K107-V111 PolarHBondContact O-N 3.31Å
108M89Confident89.4Confident46 Ų4655.2 Ų55.223%0.22726%0.257CS..Hα-helixtrans-76.4-34.1179.5-67.8-56172.600111.2S86 P104 N105 D106 E110 V111 L112 I152 V153S86-M108 WeakPolarHBondContact O-CG 3.41Å; P104-M108 HydrophobicContact CB-CB 4.01Å; N105-M108 WeakPolarHBondContact O-CA 3.39Å; N105-M108 PolarHBondContact O-N 2.85Å; D106-M108 PolarHBondContact O-N 2.84Å; M108-E110 VanDerWaalsContact C-N 3.35Å; M108-V111 WeakPolarHBondContact O-CB 3.46Å; M108-V111 PolarHBondContact O-N 2.97Å; M108-L112 PolarHBondContact O-N 3.48Å; M108-I152 HydrophobicContact SD-CG2 4.18Å; M108-V153 HydrophobicContact CB-CG1 4.1Å; M108-V153 HydrophobicContact CB-CG2 3.88Å; M108-V153 HydrophobicContact CG-CG2 4.49Å; M108-V153 HydrophobicContact SD-CG2 4.36Å
109K90.6Very high89.8Confident52 Ų5252.1 Ų52.123%0.22625%0.245CC..Hα-helixtrans-58.6-45.2168.8170.2170.7-178.1-173.40111.5A52 D53 N105 D106 V111 L112 M113A52-K109 HydrophobicContact CB-CB 4.38Å; A52-K109 HydrophobicContact CB-CG 3.99Å; D53-K109 VanDerWaalsContact OD1-CE 3.25Å; D53-K109 WeakPolarHBondContact OD1-CE 3.46Å; D53-K109 IonicContact OD1-NZ 3.84Å; D53-K109 PolarHBondContact OD1-NZ 2.73Å; D53-K109 IonicContact OD2-NZ 3.74Å; N105-K109 PolarHBondContact O-N 2.69Å; D106-K109 WeakPolarHBondContact O-CB 3.41Å; D106-K109 PolarHBondContact O-N 3.18Å; K109-V111 VanDerWaalsContact C-N 3.3Å; K109-V111 PolarHBondContact O-N 3.01Å; K109-L112 PolarHBondContact O-N 3.41Å; K109-M113 HydrophobicContact CG-CG 4.31Å; K109-M113 WeakPolarHBondContact O-CG 3.36Å; K109-M113 PolarHBondContact O-N 3.44Å
110E92.4Very high90.1Very high136 Ų13656.2 Ų56.264%0.63626%0.263SS*.Hα-helixtrans-59.1-40.4175.3-76.5176.3-174.600112.3D106 M108 M113 R114D106-E110 WeakPolarHBondContact O-CG 3.3Å; D106-E110 PolarHBondContact O-N 2.81Å; M108-E110 VanDerWaalsContact C-N 3.35Å; E110-M113 PolarHBondContact O-N 3.22Å; E110-R114 WeakPolarHBondContact O-CB 3.33Å; E110-R114 PolarHBondContact O-N 3.1Å
111V92.2Very high90.5Very high52 Ų5258 Ų5832%0.31528%0.28SS..Hα-helixtrans-61.5-47.3175.6173.50000111.1K107 M108 K109 T115K107-V111 WeakPolarHBondContact O-CG2 3.32Å; K107-V111 PolarHBondContact O-N 3.31Å; M108-V111 WeakPolarHBondContact O-CB 3.46Å; M108-V111 PolarHBondContact O-N 2.97Å; K109-V111 VanDerWaalsContact C-N 3.3Å; K109-V111 PolarHBondContact O-N 3.01Å; V111-T115 VanDerWaalsContact O-CG2 3.25Å; V111-T115 WeakPolarHBondContact O-CG2 3.48Å; V111-T115 PolarHBondContact O-N 2.66Å; V111-T115 PolarHBondContact O-OG1 3.35Å
112L91.4Very high90.8Very high0 Ų059.8 Ų59.80%029%0.29CS..Hα-helixtrans-60.8-49176.6-71.9172.8000111.6I48 A52 P104 M108 K109 R114 T115 V116 A149 V150 V153I48-L112 HydrophobicContact CG2-CB 3.82Å; I48-L112 HydrophobicContact CG2-CD2 4.16Å; I48-L112 HydrophobicContact CG2-CG 4.38Å; A52-L112 HydrophobicContact CB-CB 4.39Å; A52-L112 HydrophobicContact CB-CD1 3.9Å; P104-L112 HydrophobicContact CG-CD1 4.41Å; M108-L112 PolarHBondContact O-N 3.48Å; K109-L112 PolarHBondContact O-N 3.41Å; L112-R114 PolarHBondContact O-N 3.36Å; L112-T115 PolarHBondContact O-N 2.82Å; L112-T115 PolarHBondContact O-OG1 3.4Å; L112-V116 VanDerWaalsContact O-CG2 3.31Å; L112-V116 WeakPolarHBondContact O-CG2 3.37Å; L112-V116 PolarHBondContact O-N 2.95Å; L112-A149 HydrophobicContact CD2-CB 4.13Å; L112-V150 HydrophobicContact CD2-CG2 4.42Å; L112-V153 HydrophobicContact CD1-CB 4.3Å; L112-V153 HydrophobicContact CD1-CG1 4.15Å; L112-V153 HydrophobicContact CD1-CG2 3.93Å; L112-V153 HydrophobicContact CD2-CB 4.49Å; L112-V153 HydrophobicContact CD2-CG2 3.92Å; L112-V153 HydrophobicContact CG-CB 4.46Å; L112-V153 HydrophobicContact CG-CG2 3.67Å
113M94.4Very high90.9Very high61 Ų6158.6 Ų58.630%0.328%0.284SS..Hα-helixtrans-63.6-42.4-178.1-69.4-58.8-65.500112.2P49 K109 E110 V116 E117P49-M113 HydrophobicContact CB-SD 4.23Å; P49-M113 HydrophobicContact CG-SD 4.26Å; K109-M113 HydrophobicContact CG-CG 4.31Å; K109-M113 WeakPolarHBondContact O-CG 3.36Å; K109-M113 PolarHBondContact O-N 3.44Å; E110-M113 PolarHBondContact O-N 3.22Å; M113-V116 PolarHBondContact O-N 3.04Å; M113-E117 WeakPolarHBondContact O-CG 3.38Å; M113-E117 PolarHBondContact O-N 3.02Å
114R94.5Very high90.9Very high163 Ų16360.4 Ų60.462%0.61530%0.297SS*.Hα-helixtrans-61.9-46.2176.7-179.6178.5169.3177.1-1.2111.9E110 L112 V116 E117 E118E110-R114 WeakPolarHBondContact O-CB 3.33Å; E110-R114 PolarHBondContact O-N 3.1Å; L112-R114 PolarHBondContact O-N 3.36Å; R114-V116 VanDerWaalsContact C-N 3.3Å; R114-V116 PolarHBondContact O-N 3.29Å; R114-E117 PolarHBondContact O-N 3.48Å; R114-E118 IonicContact CZ-OE1 3.83Å; R114-E118 IonicContact NE-OE1 3.77Å; R114-E118 PolarHBondContact NE-OE1 3.38Å; R114-E118 IonicContact NH2-OE1 3.99Å; R114-E118 PolarHBondContact NH2-OE1 3.08Å; R114-E118 WeakPolarHBondContact O-CG 3.43Å; R114-E118 PolarHBondContact O-N 3.13Å
115T93.1Very high90.8Very high21 Ų2164.9 Ų64.913%0.12932%0.316CS..Hα-helixtrans-65.9-33.4179.556.30000112.2V111 L112 E118 A119 A149V111-T115 VanDerWaalsContact O-CG2 3.25Å; V111-T115 WeakPolarHBondContact O-CG2 3.48Å; V111-T115 PolarHBondContact O-N 2.66Å; V111-T115 PolarHBondContact O-OG1 3.35Å; L112-T115 PolarHBondContact O-N 2.82Å; L112-T115 PolarHBondContact O-OG1 3.4Å; T115-E118 PolarHBondContact O-N 3.03Å; T115-A119 VanDerWaalsContact O-CB 3.32Å; T115-A119 WeakPolarHBondContact O-CB 3.47Å; T115-A119 PolarHBondContact O-N 3.28Å; T115-A149 HydrophobicContact CG2-CB 3.78Å; T115-A149 VanDerWaalsContact OG1-CB 3.25Å; T115-A149 WeakPolarHBondContact OG1-CB 3.33Å
116V93.8Very high90.6Very high4 Ų469.5 Ų69.52%0.02433%0.334CS..Hα-helixtrans-63.9-43.9171.3169.30000111.7C45 I48 L112 M113 R114 A119 K120 L146C45-V116 HydrophobicContact CB-CG1 3.93Å; I48-V116 HydrophobicContact CB-CG2 3.72Å; I48-V116 HydrophobicContact CD1-CG2 3.76Å; I48-V116 HydrophobicContact CG1-CG2 4.35Å; I48-V116 HydrophobicContact CG2-CG2 3.46Å; I48-V116 VanDerWaalsContact CG2-CG2 3.46Å; L112-V116 VanDerWaalsContact O-CG2 3.31Å; L112-V116 WeakPolarHBondContact O-CG2 3.37Å; L112-V116 PolarHBondContact O-N 2.95Å; M113-V116 PolarHBondContact O-N 3.04Å; R114-V116 VanDerWaalsContact C-N 3.3Å; R114-V116 PolarHBondContact O-N 3.29Å; V116-A119 PolarHBondContact O-N 3.4Å; V116-K120 HydrophobicContact CG1-CD 4.1Å; V116-K120 HydrophobicContact CG1-CG 4.41Å; V116-K120 WeakPolarHBondContact O-CB 3.28Å; V116-K120 VanDerWaalsContact O-CG 3.3Å; V116-K120 WeakPolarHBondContact O-CG 3.49Å; V116-K120 PolarHBondContact O-N 3.04Å; V116-L146 HydrophobicContact CG2-CD2 4.13Å
117E93.3Very high90.3Very high132 Ų13267.2 Ų67.262%0.61732%0.32SS*.Hα-helixtrans-63.4-42.7176.7-72.6179.1-177.600112M113 R114 K120 A121M113-E117 WeakPolarHBondContact O-CG 3.38Å; M113-E117 PolarHBondContact O-N 3.02Å; R114-E117 PolarHBondContact O-N 3.48Å; E117-K120 PolarHBondContact O-N 2.83Å; E117-A121 WeakPolarHBondContact O-CB 3.25Å; E117-A121 PolarHBondContact O-N 3.24Å
118E91.9Very high90Very high78 Ų7860 Ų6036%0.36429%0.291SS..Hα-helixtrans-62.4-47.9176.1-71.1173.9-177.700111.2R114 T115 A121 L122R114-E118 IonicContact CZ-OE1 3.83Å; R114-E118 IonicContact NE-OE1 3.77Å; R114-E118 PolarHBondContact NE-OE1 3.38Å; R114-E118 IonicContact NH2-OE1 3.99Å; R114-E118 PolarHBondContact NH2-OE1 3.08Å; R114-E118 WeakPolarHBondContact O-CG 3.43Å; R114-E118 PolarHBondContact O-N 3.13Å; T115-E118 PolarHBondContact O-N 3.03Å; E118-A121 WeakPolarHBondContact O-CB 3.11Å; E118-A121 PolarHBondContact O-N 3.27Å; E118-L122 WeakPolarHBondContact O-CG 3.28Å; E118-L122 PolarHBondContact O-N 3.32Å
119A92Very high89.6Confident0 Ų065.6 Ų65.60%032%0.316CS..Hα-helixtrans-62.9-43.5176.700000112.5V41 T115 V116 A121 L122 I123 A142 L146V41-A119 HydrophobicContact CG1-CB 4.31Å; T115-A119 VanDerWaalsContact O-CB 3.32Å; T115-A119 WeakPolarHBondContact O-CB 3.47Å; T115-A119 PolarHBondContact O-N 3.28Å; V116-A119 PolarHBondContact O-N 3.4Å; A119-A121 VanDerWaalsContact C-N 3.3Å; A119-A121 PolarHBondContact O-N 3.01Å; A119-L122 PolarHBondContact O-N 2.7Å; A119-I123 PolarHBondContact O-N 3.43Å; A119-A142 HydrophobicContact CB-CB 4.32Å; A119-L146 HydrophobicContact CB-CD1 4.06Å; A119-L146 HydrophobicContact CB-CD2 3.88Å; A119-L146 HydrophobicContact CB-CG 3.95Å
120K90.7Very high89.3Confident92 Ų9266.4 Ų66.440%0.433%0.333SS..Hα-helixtrans-61.9-37.8174.2-78-177.6-172.2176.90111.7C45 V116 E117 I123 S124C45-K120 HydrophobicContact CB-CD 4.5Å; C45-K120 VanDerWaalsContact CB-CE 3.48Å; C45-K120 HydrophobicContact CB-CG 4.18Å; V116-K120 HydrophobicContact CG1-CD 4.1Å; V116-K120 HydrophobicContact CG1-CG 4.41Å; V116-K120 WeakPolarHBondContact O-CB 3.28Å; V116-K120 VanDerWaalsContact O-CG 3.3Å; V116-K120 WeakPolarHBondContact O-CG 3.49Å; V116-K120 PolarHBondContact O-N 3.04Å; E117-K120 PolarHBondContact O-N 2.83Å; K120-I123 PolarHBondContact O-N 3.03Å; K120-S124 WeakPolarHBondContact O-CA 3.42Å; K120-S124 VanDerWaalsContact O-CB 3.25Å; K120-S124 WeakPolarHBondContact O-CB 3.32Å; K120-S124 PolarHBondContact O-N 3.01Å
121A90.3Very high89Confident60 Ų6064.5 Ų64.550%0.49633%0.327SS..Hα-helixtrans-66.9-38.5177.700000112E117 E118 A119 I123 Q127E117-A121 WeakPolarHBondContact O-CB 3.25Å; E117-A121 PolarHBondContact O-N 3.24Å; E118-A121 WeakPolarHBondContact O-CB 3.11Å; E118-A121 PolarHBondContact O-N 3.27Å; A119-A121 VanDerWaalsContact C-N 3.3Å; A119-A121 PolarHBondContact O-N 3.01Å; A121-I123 VanDerWaalsContact C-N 3.32Å; A121-I123 PolarHBondContact O-N 2.81Å; A121-Q127 PolarHBondContact O-NE2 3.47Å
122L88.2Confident88.7Confident40 Ų4065 Ų6521%0.20933%0.33CS..Hα-helixtrans-63.2-36.6175.6-74.4173.7000112.8E118 A119 Q127 M138 A142E118-L122 WeakPolarHBondContact O-CG 3.28Å; E118-L122 PolarHBondContact O-N 3.32Å; A119-L122 PolarHBondContact O-N 2.7Å; L122-Q127 VanDerWaalsContact CA-NE2 3.35Å; L122-Q127 PolarHBondContact O-NE2 2.86Å; L122-M138 HydrophobicContact CD2-CE 4.42Å; L122-A142 HydrophobicContact CD1-CB 4.27Å
123I87.4Confident88.5Confident1 Ų166 Ų661%0.00534%0.336CS..Hα-helixtrans-102.6-5.2-173.4-78.4166.8000113.1R38 V41 A119 K120 A121 A142R38-I123 HydrophobicContact CB-CG2 3.67Å; R38-I123 HydrophobicContact CG-CB 4.43Å; R38-I123 HydrophobicContact CG-CG1 4.2Å; R38-I123 HydrophobicContact CG-CG2 3.6Å; R38-I123 VanDerWaalsContact CZ-O 3.26Å; R38-I123 PolarHBondContact NE-O 3.31Å; R38-I123 PolarHBondContact NH2-O 3.42Å; V41-I123 HydrophobicContact CB-CD1 3.54Å; V41-I123 HydrophobicContact CG1-CD1 3.59Å; V41-I123 HydrophobicContact CG2-CD1 3.48Å; V41-I123 VanDerWaalsContact CG2-CD1 3.48Å; A119-I123 PolarHBondContact O-N 3.43Å; K120-I123 PolarHBondContact O-N 3.03Å; A121-I123 VanDerWaalsContact C-N 3.32Å; A121-I123 PolarHBondContact O-N 2.81Å; I123-A142 HydrophobicContact CD1-CB 3.63Å; I123-A142 HydrophobicContact CG1-CB 4.45Å
124S86.8Confident88.2Confident38 Ų3863.1 Ų63.127%0.26632%0.322SS..  trans-54.3144.1-174.3-168.80000114.1K120 K126 Q127K120-S124 WeakPolarHBondContact O-CA 3.42Å; K120-S124 VanDerWaalsContact O-CB 3.25Å; K120-S124 WeakPolarHBondContact O-CB 3.32Å; K120-S124 PolarHBondContact O-N 3.01Å; S124-K126 PolarHBondContact O-N 2.94Å; S124-K126 VanDerWaalsContact O-N 3.08Å; S124-K126 PolarHBondContact OG-N 3.25Å; S124-Q127 VanDerWaalsContact O-CB 3.3Å; S124-Q127 WeakPolarHBondContact O-CB 3.36Å; S124-Q127 WeakPolarHBondContact O-CG 3.15Å; S124-Q127 PolarHBondContact O-N 2.93Å
125K86.6Confident88Confident95 Ų9558.1 Ų58.141%0.41331%0.31SS..THydrogen-bonded Turntrans-56.2-22.5167.5-59.9-179.1-174.7176.40112.4E11 Q127 A128E11-K125 IonicContact OE2-NZ 3.5Å; E11-K125 PolarHBondContact OE2-NZ 3.07Å; K125-Q127 PolarHBondContact O-N 3.23Å; K125-A128 WeakPolarHBondContact O-CB 3.09Å; K125-A128 PolarHBondContact O-N 3.44Å
126K85.2Confident87.9Confident153 Ų15360.2 Ų60.267%0.66532%0.319SS*.Hα-helixtrans-62.5-27.2174.9-65.3180-178.5177.60112.9S124 A128 Q129 A130S124-K126 PolarHBondContact O-N 2.94Å; S124-K126 VanDerWaalsContact O-N 3.08Å; S124-K126 PolarHBondContact OG-N 3.25Å; K126-A128 PolarHBondContact O-N 2.92Å; K126-Q129 WeakPolarHBondContact O-CB 3.41Å; K126-Q129 PolarHBondContact O-N 3.44Å; K126-A130 PolarHBondContact O-N 3.23Å
127Q83.1Confident87.8Confident29 Ų2967.3 Ų67.314%0.13635%0.352CS..Hα-helixtrans-59.2-35.3176.5-67.1-120.9-3.200112.1A121 L122 S124 K125 Q129 A130 N131 V132A121-Q127 PolarHBondContact O-NE2 3.47Å; L122-Q127 VanDerWaalsContact CA-NE2 3.35Å; L122-Q127 PolarHBondContact O-NE2 2.86Å; S124-Q127 VanDerWaalsContact O-CB 3.3Å; S124-Q127 WeakPolarHBondContact O-CB 3.36Å; S124-Q127 WeakPolarHBondContact O-CG 3.15Å; S124-Q127 PolarHBondContact O-N 2.93Å; K125-Q127 PolarHBondContact O-N 3.23Å; Q127-Q129 VanDerWaalsContact C-N 3.31Å; Q127-Q129 PolarHBondContact O-N 3.14Å; Q127-A130 CarbonylContact O-C 3.59Å; Q127-A130 PolarHBondContact O-N 3.4Å; Q127-N131 PolarHBondContact O-N 3.41Å; Q127-V132 HydrophobicContact CB-CB 4.42Å; Q127-V132 PolarHBondContact O-N 2.92Å
128A82.3Confident87.6Confident8 Ų862.6 Ų62.67%0.06633%0.331CS..Hα-helixtrans-65.9-33.7176.300000112.6L15 K125 K126 N131L15-A128 HydrophobicContact CG-CB 4.24Å; K125-A128 WeakPolarHBondContact O-CB 3.09Å; K125-A128 PolarHBondContact O-N 3.44Å; K126-A128 PolarHBondContact O-N 2.92Å; A128-N131 PolarHBondContact O-N 2.98Å
129Q82.1Confident87.6Confident163 Ų16359 Ų5976%0.76231%0.314SS*.Hα-helixtrans-72-36175-60.8176.6-5.900111.3K126 Q127 N131K126-Q129 WeakPolarHBondContact O-CB 3.41Å; K126-Q129 PolarHBondContact O-N 3.44Å; Q127-Q129 VanDerWaalsContact C-N 3.31Å; Q127-Q129 PolarHBondContact O-N 3.14Å; Q129-N131 PolarHBondContact O-N 3.38Å
130A84.4Confident87.6Confident69 Ų6964.8 Ų64.857%0.5734%0.339SS*.THydrogen-bonded Turntrans-74.52.1175.100000114K126 Q127 V132K126-A130 PolarHBondContact O-N 3.23Å; Q127-A130 CarbonylContact O-C 3.59Å; Q127-A130 PolarHBondContact O-N 3.4Å; A130-V132 HydrophobicContact CB-CG2 4.11Å; A130-V132 PolarHBondContact O-N 3.07Å
131N84.4Confident87.7Confident96 Ų9665.3 Ų65.351%0.51334%0.343SS..THydrogen-bonded Turntrans5825.5-174.1-68.4-59.4000114.9L15 Q127 A128 Q129 K215L15-N131 HydrophobicContact CD1-CB 4.37Å; Q127-N131 PolarHBondContact O-N 3.41Å; A128-N131 PolarHBondContact O-N 2.98Å; Q129-N131 PolarHBondContact O-N 3.38Å; N131-K215 PolarHBondContact OD1-NZ 3.37Å
132V87.1Confident87.8Confident61 Ų6162.5 Ų62.537%0.3732%0.319SS..PPolyproline II helixtrans-87.4133.5174.2-175.90000109.3Q127 A130Q127-V132 HydrophobicContact CB-CB 4.42Å; Q127-V132 PolarHBondContact O-N 2.92Å; A130-V132 HydrophobicContact CB-CG2 4.11Å; A130-V132 PolarHBondContact O-N 3.07Å
133C86.7Confident88Confident21 Ų2162 Ų6214%0.14232%0.317CS..BIsolated β-bridgetrans-91.7134178.9-60.90000109.9Q3 L15 N17Q3-C133 PolarHBondContact NE2-SG 3.34Å; L15-C133 HydrophobicContact CB-CB 4.45Å; L15-C133 CarbonylContact O-C 3.54Å; L15-C133 VanDerWaalsContact O-CA 3.29Å; L15-C133 WeakPolarHBondContact O-CA 3.41Å; N17-C133 PolarHBondContact ND2-SG 3.04Å; N17-C133 PolarHBondContact OD1-SG 3.39Å
134V88.6Confident88.3Confident1 Ų166.9 Ų66.91%0.00634%0.343CS..PPolyproline II helixtrans-90.8125.6178.6-177.10000108.4F14 L15 I34 V139F14-V134 HydrophobicContact CB-CB 4.18Å; F14-V134 HydrophobicContact CB-CG2 3.85Å; F14-V134 HydrophobicContact CD2-CB 4.26Å; L15-V134 PolarHBondContact O-N 3.18Å; I34-V134 HydrophobicContact CG2-CB 4.45Å; I34-V134 HydrophobicContact CG2-CG1 3.89Å; V134-V139 HydrophobicContact CG1-CG2 4.07Å
135T90.8Very high88.6Confident58 Ų5867.9 Ų67.936%0.35634%0.343SS..  trans-105.8163173.263.90000110.3E137 M138 V139T135-E137 PolarHBondContact O-N 2.95Å; T135-M138 PolarHBondContact O-N 2.91Å; T135-M138 WeakPolarHBondContact OG1-CG 3.37Å; T135-M138 PolarHBondContact OG1-N 2.91Å; T135-V139 PolarHBondContact O-N 2.96Å
136M89.7Confident88.8Confident66 Ų6663.3 Ų63.333%0.32532%0.324SS..Hα-helixtrans-60.7-31.4173.2-178.458.684.200112A33 I34 V139 K140A33-M136 HydrophobicContact CB-CE 3.19Å; I34-M136 HydrophobicContact CG1-CB 4.36Å; I34-M136 HydrophobicContact CG1-CE 4.37Å; M136-V139 PolarHBondContact O-N 3.22Å; M136-K140 HydrophobicContact CG-CD 4.43Å; M136-K140 WeakPolarHBondContact O-CG 3.42Å; M136-K140 PolarHBondContact O-N 2.63Å
137E91.5Very high89.1Confident152 Ų15261.8 Ų61.871%0.7131%0.313SS*.Hα-helixtrans-63.1-43.1177.4-65173.3176.400111.6T135 V139 K140 E141T135-E137 PolarHBondContact O-N 2.95Å; E137-V139 VanDerWaalsContact C-N 3.28Å; E137-V139 PolarHBondContact O-N 3.28Å; E137-K140 PolarHBondContact O-N 3.42Å; E137-E141 WeakPolarHBondContact O-CB 3.19Å; E137-E141 PolarHBondContact O-N 3.27Å
138M90.6Very high89.5Confident34 Ų3461.8 Ų61.817%0.16732%0.322CS..Hα-helixtrans-62.5-36.4176-66174.470.500112.4L122 T135 A142L122-M138 HydrophobicContact CD2-CE 4.42Å; T135-M138 PolarHBondContact O-N 2.91Å; T135-M138 WeakPolarHBondContact OG1-CG 3.37Å; T135-M138 PolarHBondContact OG1-N 2.91Å; M138-A142 WeakPolarHBondContact O-CB 3.29Å; M138-A142 PolarHBondContact O-N 3.49Å
139V91.4Very high90Very high2 Ų261.5 Ų61.51%0.01232%0.319CS..Hα-helixtrans-68.7-42.6176.9178.90000110.7I34 R38 V41 V134 T135 M136 E137 A142 L143I34-V139 HydrophobicContact CG2-CG2 4.31Å; R38-V139 HydrophobicContact CG-CG2 4.15Å; V41-V139 HydrophobicContact CG2-CG1 4.49Å; V134-V139 HydrophobicContact CG1-CG2 4.07Å; T135-V139 PolarHBondContact O-N 2.96Å; M136-V139 PolarHBondContact O-N 3.22Å; E137-V139 VanDerWaalsContact C-N 3.28Å; E137-V139 PolarHBondContact O-N 3.28Å; V139-A142 PolarHBondContact O-N 2.86Å; V139-L143 HydrophobicContact CG1-CD1 4.42Å; V139-L143 WeakPolarHBondContact O-CG 3.25Å; V139-L143 PolarHBondContact O-N 3.32Å
140K92.1Very high90.4Very high122 Ų12254.2 Ų54.253%0.5329%0.286SS..Hα-helixtrans-63-43.9174.7-72.1178.8177.9-175.60111.7M136 E137 A142 L143 D144M136-K140 HydrophobicContact CG-CD 4.43Å; M136-K140 WeakPolarHBondContact O-CG 3.42Å; M136-K140 PolarHBondContact O-N 2.63Å; E137-K140 PolarHBondContact O-N 3.42Å; K140-A142 VanDerWaalsContact C-N 3.32Å; K140-A142 PolarHBondContact O-N 3.3Å; K140-L143 WeakPolarHBondContact O-CB 3.32Å; K140-L143 PolarHBondContact O-N 2.84Å; K140-L143 VanDerWaalsContact O-N 3.13Å; K140-D144 WeakPolarHBondContact O-CB 3.36Å; K140-D144 VanDerWaalsContact O-CG 3.31Å; K140-D144 PolarHBondContact O-N 3.37Å
141E92.9Very high90.7Very high103 Ų10356.4 Ų56.448%0.48129%0.286SS..Hα-helixtrans-59.6-43.4176.5-172.7180-176.100111.4E137 L143 D144 Q145E137-E141 WeakPolarHBondContact O-CB 3.19Å; E137-E141 PolarHBondContact O-N 3.27Å; E141-L143 PolarHBondContact O-N 3.37Å; E141-D144 PolarHBondContact O-N 2.86Å; E141-Q145 WeakPolarHBondContact O-CB 3.26Å; E141-Q145 VanDerWaalsContact O-CG 3.26Å; E141-Q145 WeakPolarHBondContact O-CG 3.45Å; E141-Q145 PolarHBondContact O-N 3.39Å
142A92.5Very high90.9Very high0 Ų056.2 Ų56.20%028%0.284CS..Hα-helixtrans-62.2-41.7174.400000112.2V41 A119 L122 I123 M138 V139 K140 L146V41-A142 HydrophobicContact CG2-CB 4.38Å; A119-A142 HydrophobicContact CB-CB 4.32Å; L122-A142 HydrophobicContact CD1-CB 4.27Å; I123-A142 HydrophobicContact CD1-CB 3.63Å; I123-A142 HydrophobicContact CG1-CB 4.45Å; M138-A142 WeakPolarHBondContact O-CB 3.29Å; M138-A142 PolarHBondContact O-N 3.49Å; V139-A142 PolarHBondContact O-N 2.86Å; K140-A142 VanDerWaalsContact C-N 3.32Å; K140-A142 PolarHBondContact O-N 3.3Å; A142-L146 VanDerWaalsContact O-CG 3.29Å; A142-L146 WeakPolarHBondContact O-CG 3.5Å; A142-L146 PolarHBondContact O-N 3.35Å; A142-L146 VanDerWaalsContact O-N 3.15Å
143L92.3Very high91Very high31 Ų3153.3 Ų53.316%0.16227%0.266CS..Hα-helixtrans-64.3-41.8175-72.8169.2000112.2K40 V41 I44 V139 K140 E141 L146 R147K40-L143 HydrophobicContact CD-CD2 4.46Å; K40-L143 HydrophobicContact CG-CD2 4.47Å; V41-L143 HydrophobicContact CG2-CD2 3.5Å; V41-L143 VanDerWaalsContact CG2-CD2 3.5Å; V41-L143 HydrophobicContact CG2-CG 3.65Å; I44-L143 HydrophobicContact CD1-CD2 3.72Å; V139-L143 HydrophobicContact CG1-CD1 4.42Å; V139-L143 WeakPolarHBondContact O-CG 3.25Å; V139-L143 PolarHBondContact O-N 3.32Å; K140-L143 WeakPolarHBondContact O-CB 3.32Å; K140-L143 PolarHBondContact O-N 2.84Å; K140-L143 VanDerWaalsContact O-N 3.13Å; E141-L143 PolarHBondContact O-N 3.37Å; L143-L146 PolarHBondContact O-N 2.96Å; L143-R147 WeakPolarHBondContact O-CB 3.48Å; L143-R147 PolarHBondContact O-N 3.41Å
144D92.6Very high91.1Very high102 Ų10252.4 Ų52.455%0.54526%0.26SS..Hα-helixtrans-68-37.2179.6-71.8-27.1000111.7K140 E141 R147 G148K140-D144 WeakPolarHBondContact O-CB 3.36Å; K140-D144 VanDerWaalsContact O-CG 3.31Å; K140-D144 PolarHBondContact O-N 3.37Å; E141-D144 PolarHBondContact O-N 2.86Å; D144-R147 PolarHBondContact O-N 2.93Å; D144-G148 PolarHBondContact O-N 2.87Å
145Q92.8Very high90.9Very high59 Ų5956 Ų5628%0.27628%0.283SS..Hα-helixtrans-60.3-47.2172.2-76.3174.4-1.400111.3E141 G148 A149E141-Q145 WeakPolarHBondContact O-CB 3.26Å; E141-Q145 VanDerWaalsContact O-CG 3.26Å; E141-Q145 WeakPolarHBondContact O-CG 3.45Å; E141-Q145 PolarHBondContact O-N 3.39Å; Q145-G148 PolarHBondContact O-N 3.38Å; Q145-A149 WeakPolarHBondContact O-CB 3.21Å; Q145-A149 PolarHBondContact O-N 3.05Å
146L92.3Very high90.6Very high0 Ų060.4 Ų60.40%030%0.301CS..Hα-helixtrans-64.4-41.6177.2-65.9173000111.5V41 I44 I48 V116 A119 A142 L143 A149 V150 F168V41-L146 HydrophobicContact CG1-CD1 3.89Å; I44-L146 HydrophobicContact CB-CD1 4.37Å; I44-L146 HydrophobicContact CG2-CB 4.48Å; I44-L146 HydrophobicContact CG2-CD1 3.91Å; I48-L146 HydrophobicContact CD1-CB 4.48Å; I48-L146 HydrophobicContact CD1-CD2 3.71Å; V116-L146 HydrophobicContact CG2-CD2 4.13Å; A119-L146 HydrophobicContact CB-CD1 4.06Å; A119-L146 HydrophobicContact CB-CD2 3.88Å; A119-L146 HydrophobicContact CB-CG 3.95Å; A142-L146 VanDerWaalsContact O-CG 3.29Å; A142-L146 WeakPolarHBondContact O-CG 3.5Å; A142-L146 PolarHBondContact O-N 3.35Å; A142-L146 VanDerWaalsContact O-N 3.15Å; L143-L146 PolarHBondContact O-N 2.96Å; L146-A149 PolarHBondContact O-N 2.86Å; L146-V150 WeakPolarHBondContact O-CG2 3.46Å; L146-V150 PolarHBondContact O-N 2.89Å; L146-F168 HydrophobicContact CB-CE1 4.47Å; L146-F168 HydrophobicContact CB-CZ 4.18Å
147R91.4Very high90.4Very high120 Ų12058.2 Ų58.245%0.45330%0.295SS..Hα-helixtrans-62.4-45.1176.2-166.7179.4-159.1163.611.5111.6L143 D144 A149 V150 M151 F168L143-R147 WeakPolarHBondContact O-CB 3.48Å; L143-R147 PolarHBondContact O-N 3.41Å; D144-R147 PolarHBondContact O-N 2.93Å; R147-A149 VanDerWaalsContact C-N 3.35Å; R147-A149 PolarHBondContact O-N 3.48Å; R147-V150 PolarHBondContact O-N 3.44Å; R147-M151 WeakPolarHBondContact O-CG 3.35Å; R147-M151 PolarHBondContact O-N 3.38Å; R147-F168 HydrophobicContact CB-CE1 4.18Å; R147-F168 HydrophobicContact CB-CZ 4.16Å
148G92.1Very high90.2Very high30 Ų3051.2 Ų51.231%0.30926%0.263SS..Hα-helixtrans-60.7-43.6176.400000112D144 Q145 M151 I152D144-G148 PolarHBondContact O-N 2.87Å; Q145-G148 PolarHBondContact O-N 3.38Å; G148-M151 PolarHBondContact O-N 3.34Å; G148-I152 VanDerWaalsContact O-CG1 3.28Å; G148-I152 WeakPolarHBondContact O-CG1 3.46Å; G148-I152 PolarHBondContact O-N 3.18Å
149A91.9Very high90Very high2 Ų249.6 Ų49.62%0.01726%0.255CS..Hα-helixtrans-60.5-47176.200000112L112 T115 Q145 L146 R147 M151 I152 V153L112-A149 HydrophobicContact CD2-CB 4.13Å; T115-A149 HydrophobicContact CG2-CB 3.78Å; T115-A149 VanDerWaalsContact OG1-CB 3.25Å; T115-A149 WeakPolarHBondContact OG1-CB 3.33Å; Q145-A149 WeakPolarHBondContact O-CB 3.21Å; Q145-A149 PolarHBondContact O-N 3.05Å; L146-A149 PolarHBondContact O-N 2.86Å; R147-A149 VanDerWaalsContact C-N 3.35Å; R147-A149 PolarHBondContact O-N 3.48Å; A149-M151 VanDerWaalsContact C-N 3.33Å; A149-M151 PolarHBondContact O-N 3.15Å; A149-I152 PolarHBondContact O-N 3.16Å; A149-V153 PolarHBondContact O-N 3.46Å; A149-V153 VanDerWaalsContact O-N 3.12Å
150V90.6Very high89.8Confident9 Ų952.7 Ų52.76%0.05528%0.275CS..Hα-helixtrans-62.3-39.8176.5172.30000111.1L112 L146 R147 I152 V153 Y154 L158 I164 F168L112-V150 HydrophobicContact CD2-CG2 4.42Å; L146-V150 WeakPolarHBondContact O-CG2 3.46Å; L146-V150 PolarHBondContact O-N 2.89Å; R147-V150 PolarHBondContact O-N 3.44Å; V150-I152 VanDerWaalsContact C-N 3.34Å; V150-I152 PolarHBondContact O-N 3.06Å; V150-V153 PolarHBondContact O-N 3.42Å; V150-Y154 WeakPolarHBondContact O-CA 3.39Å; V150-Y154 PolarHBondContact O-N 2.88Å; V150-L158 HydrophobicContact CG1-CD1 3.63Å; V150-L158 HydrophobicContact CG1-CD2 4.32Å; V150-L158 HydrophobicContact CG1-CG 3.73Å; V150-I164 HydrophobicContact CG2-CG2 4.29Å; V150-F168 HydrophobicContact CG2-CE2 4.3Å
151M90Very high89.4Confident115 Ų11548.3 Ų48.357%0.56726%0.256SS*.Hα-helixtrans-66.9-32.7176.3-74.1-176.970.100113.4R147 G148 A149 Y154 P155R147-M151 WeakPolarHBondContact O-CG 3.35Å; R147-M151 PolarHBondContact O-N 3.38Å; G148-M151 PolarHBondContact O-N 3.34Å; A149-M151 VanDerWaalsContact C-N 3.33Å; A149-M151 PolarHBondContact O-N 3.15Å; M151-Y154 CarbonylContact O-C 3.58Å; M151-P155 VanDerWaalsContact O-CA 3.26Å; M151-P155 WeakPolarHBondContact O-CA 3.35Å
152I90Very high89.1Confident93 Ų9343.4 Ų43.448%0.47723%0.233SC..Hα-helixtrans-66.6-44.8175.6-69.7162.6000110S86 M108 G148 A149 V150S86-I152 VanDerWaalsContact CB-O 3.25Å; S86-I152 WeakPolarHBondContact CB-O 3.34Å; S86-I152 PolarHBondContact OG-O 3.39Å; M108-I152 HydrophobicContact SD-CG2 4.18Å; G148-I152 VanDerWaalsContact O-CG1 3.28Å; G148-I152 WeakPolarHBondContact O-CG1 3.46Å; G148-I152 PolarHBondContact O-N 3.18Å; A149-I152 PolarHBondContact O-N 3.16Å; V150-I152 VanDerWaalsContact C-N 3.34Å; V150-I152 PolarHBondContact O-N 3.06Å
153V88.2Confident88.8Confident0 Ų044.5 Ų44.50%024%0.24CC..Hα-helixtrans-76.7-39.5-179.2-176.40000111.7P85 S86 P104 M108 L112 A149 V150 P155P85-V153 CarbonylContact C-O 3.52Å; P85-V153 VanDerWaalsContact CA-O 3.23Å; P85-V153 WeakPolarHBondContact CA-O 3.31Å; P85-V153 HydrophobicContact CB-CG1 4.28Å; S86-V153 PolarHBondContact N-O 3.43Å; P104-V153 HydrophobicContact CB-CG1 3.59Å; P104-V153 HydrophobicContact CG-CG1 4.15Å; M108-V153 HydrophobicContact CB-CG1 4.1Å; M108-V153 HydrophobicContact CB-CG2 3.88Å; M108-V153 HydrophobicContact CG-CG2 4.49Å; M108-V153 HydrophobicContact SD-CG2 4.36Å; L112-V153 HydrophobicContact CD1-CB 4.3Å; L112-V153 HydrophobicContact CD1-CG1 4.15Å; L112-V153 HydrophobicContact CD1-CG2 3.93Å; L112-V153 HydrophobicContact CD2-CB 4.49Å; L112-V153 HydrophobicContact CD2-CG2 3.92Å; L112-V153 HydrophobicContact CG-CB 4.46Å; L112-V153 HydrophobicContact CG-CG2 3.67Å; A149-V153 PolarHBondContact O-N 3.46Å; A149-V153 VanDerWaalsContact O-N 3.12Å; V150-V153 PolarHBondContact O-N 3.42Å; V153-P155 WeakPolarHBondContact O-CD 3.46Å
154Y88.6Confident88.5Confident2 Ų243 Ų431%0.00823%0.233CC..  trans-124.283.1-179-66.4-82.4000110.2L51 V56 C83 P85 V150 M151 M156 G157 L158L51-Y154 HydrophobicContact CD1-CE2 3.74Å; L51-Y154 HydrophobicContact CD2-CD2 4.3Å; L51-Y154 HydrophobicContact CD2-CE2 3.91Å; L51-Y154 HydrophobicContact CG-CE2 3.86Å; V56-Y154 HydrophobicContact CG1-CD1 4.21Å; V56-Y154 HydrophobicContact CG1-CE1 3.71Å; C83-Y154 WeakPolarHBondContact O-CE1 3.24Å; P85-Y154 HydrophobicContact CB-CD1 4.45Å; P85-Y154 HydrophobicContact CB-CE1 3.9Å; P85-Y154 HydrophobicContact CG-CE1 4.4Å; V150-Y154 WeakPolarHBondContact O-CA 3.39Å; V150-Y154 PolarHBondContact O-N 2.88Å; M151-Y154 CarbonylContact O-C 3.58Å; Y154-M156 VanDerWaalsContact C-N 3.25Å; Y154-M156 PolarHBondContact O-N 2.88Å; Y154-G157 WeakPolarHBondContact O-CA 3.32Å; Y154-G157 PolarHBondContact O-N 3.47Å; Y154-L158 HydrophobicContact CD1-CD2 4.33Å; Y154-L158 HydrophobicContact CD2-CD2 3.71Å; Y154-L158 HydrophobicContact CE2-CD2 4.16Å; Y154-L158 HydrophobicContact CG-CD2 3.8Å
155P85.7Confident88.3Confident75 Ų7542.4 Ų42.449%0.48722%0.223SC..THydrogen-bonded Turntrans-67.4-26.4-174.425.6-33.8000113S86 M151 V153 G157S86-P155 VanDerWaalsContact OG-CD 3.27Å; S86-P155 WeakPolarHBondContact OG-CD 3.45Å; M151-P155 VanDerWaalsContact O-CA 3.26Å; M151-P155 WeakPolarHBondContact O-CA 3.35Å; V153-P155 WeakPolarHBondContact O-CD 3.46Å; P155-G157 PolarHBondContact O-N 3.27Å
156M84Confident88Confident152 Ų15242.4 Ų42.475%0.74922%0.223SC*.THydrogen-bonded Turntrans-83.20.1173.7-60.5-56.9-178.900112.9R82 Y154R82-M156 WeakPolarHBondContact O-CB 3.11Å; Y154-M156 VanDerWaalsContact C-N 3.25Å; Y154-M156 PolarHBondContact O-N 2.88Å
157G84.9Confident87.7Confident19 Ų1943.2 Ų43.220%0.19623%0.227CC..  trans81.6171.9-177.100000113.6C83 Y154 P155C83-G157 PolarHBondContact SG-O 3.41Å; Y154-G157 WeakPolarHBondContact O-CA 3.32Å; Y154-G157 PolarHBondContact O-N 3.47Å; P155-G157 PolarHBondContact O-N 3.27Å
158L87.3Confident87.5Confident6 Ų639 Ų393%0.03121%0.212CC..  trans-86.7157.5174.7-62.4176.7000111L51 V56 V150 Y154 D162 I164 R165L51-L158 HydrophobicContact CD1-CD2 3.89Å; L51-L158 HydrophobicContact CD2-CD1 4.24Å; L51-L158 HydrophobicContact CD2-CD2 4.11Å; V56-L158 HydrophobicContact CG1-CD2 3.86Å; V150-L158 HydrophobicContact CG1-CD1 3.63Å; V150-L158 HydrophobicContact CG1-CD2 4.32Å; V150-L158 HydrophobicContact CG1-CG 3.73Å; Y154-L158 HydrophobicContact CD1-CD2 4.33Å; Y154-L158 HydrophobicContact CD2-CD2 3.71Å; Y154-L158 HydrophobicContact CE2-CD2 4.16Å; Y154-L158 HydrophobicContact CG-CD2 3.8Å; L158-D162 HydrophobicContact CB-CB 4.14Å; L158-I164 HydrophobicContact CD1-CB 3.75Å; L158-I164 HydrophobicContact CD1-CD1 4.37Å; L158-I164 HydrophobicContact CD1-CG2 3.69Å; L158-R165 HydrophobicContact CB-CB 4.22Å; L158-R165 WeakPolarHBondContact O-CD 3.44Å; L158-R165 PolarHBondContact O-NH1 2.96Å
159P86.8Confident87.1Confident0 Ų040.9 Ų40.90%022%0.215CC..  trans-57.4151.8173.1-21.531.8000112.3V56 W79 C83 H161 D162 R165V56-P159 HydrophobicContact CB-CG 3.98Å; V56-P159 HydrophobicContact CG1-CG 4.41Å; V56-P159 HydrophobicContact CG2-CG 4.19Å; W79-P159 HydrophobicContact CB-CB 4.2Å; W79-P159 HydrophobicContact CB-CG 3.97Å; W79-P159 HydrophobicContact CD2-CB 4.19Å; W79-P159 HydrophobicContact CG-CB 4.01Å; W79-P159 HydrophobicContact CG-CG 4.32Å; C83-P159 HydrophobicContact CB-CG 4.49Å; P159-H161 WeakPolarHBondContact CB-CE1 3.41Å; P159-H161 PolarHBondContact O-N 2.86Å; P159-D162 VanDerWaalsContact O-CB 3.32Å; P159-D162 WeakPolarHBondContact O-CB 3.39Å; P159-D162 PolarHBondContact O-N 3.23Å; P159-D162 VanDerWaalsContact O-N 3.08Å; P159-R165 WeakPolarHBondContact O-CD 3.5Å
160P85.9Confident86.7Confident66 Ų6646.7 Ų46.743%0.42925%0.246SC..THydrogen-bonded Turntrans-64.8-27.4-177.626.9-34.5000113.2W79 D162 M166W79-P160 HydrophobicContact CH2-CG 4.2Å; W79-P160 HydrophobicContact CZ2-CG 3.66Å; P160-D162 VanDerWaalsContact C-N 3.32Å; P160-M166 WeakPolarHBondContact O-CG 3.35Å
161H84.5Confident86.1Confident31 Ų3153.4 Ų53.414%0.14428%0.277CS..THydrogen-bonded Turntrans-86.10.4176.859.5-86.6000113.6T57 L58 P60 W79 P159 M166T57-H161 PolarHBondContact O-NE2 3.19Å; L58-H161 VanDerWaalsContact C-NE2 3.35Å; L58-H161 PolarHBondContact O-CD2 2.9Å; L58-H161 VanDerWaalsContact O-CD2 3.27Å; L58-H161 PolarHBondContact O-NE2 3.38Å; P60-H161 HydrophobicContact CG-CB 4.35Å; W79-H161 AromaticContact CD1-CE1 3.86Å; P159-H161 WeakPolarHBondContact CB-CE1 3.41Å; P159-H161 PolarHBondContact O-N 2.86Å; H161-M166 WeakPolarHBondContact O-CE 3.4Å
162D86.2Confident85.2Confident0 Ų050.4 Ų50.40%026%0.261CS..  trans-73.8130.4177.5-164.9-72.9000110.2T57 R99 L158 P159 P160 I164 R165 M166T57-D162 WeakPolarHBondContact CB-OD2 3.33Å; T57-D162 PolarHBondContact N-OD2 3.03Å; T57-D162 VanDerWaalsContact N-OD2 3.14Å; T57-D162 VanDerWaalsContact OG1-CG 3.32Å; T57-D162 PolarHBondContact OG1-OD2 3.03Å; R99-D162 IonicContact NH1-OD2 2.79Å; L158-D162 HydrophobicContact CB-CB 4.14Å; P159-D162 VanDerWaalsContact O-CB 3.32Å; P159-D162 WeakPolarHBondContact O-CB 3.39Å; P159-D162 PolarHBondContact O-N 3.23Å; P159-D162 VanDerWaalsContact O-N 3.08Å; P160-D162 VanDerWaalsContact C-N 3.32Å; D162-I164 PolarHBondContact O-N 2.83Å; D162-I164 WeakPolarHBondContact OD1-CB 3.36Å; D162-I164 PolarHBondContact OD1-N 2.88Å; D162-R165 HydrophobicContact CB-CB 4.45Å; D162-R165 PolarHBondContact O-N 2.79Å; D162-M166 PolarHBondContact O-N 3Å
163P85.8Confident84.4Confident22 Ų2251.9 Ų51.914%0.14327%0.27CS..Hα-helixtrans-52.8-38.8179.8-24.430.8000113.4E47 T57 R98 R165 M166 E167E47-P163 HydrophobicContact CG-CB 4.27Å; T57-P163 WeakPolarHBondContact OG1-CD 3.49Å; R98-P163 VanDerWaalsContact NH2-CG 3.29Å; P163-R165 VanDerWaalsContact C-N 3.29Å; P163-R165 PolarHBondContact O-N 3.39Å; P163-M166 HydrophobicContact CB-CE 4.46Å; P163-M166 HydrophobicContact CG-CE 4.46Å; P163-M166 PolarHBondContact O-N 3Å; P163-E167 WeakPolarHBondContact O-CB 3.36Å; P163-E167 WeakPolarHBondContact O-CG 3.35Å; P163-E167 PolarHBondContact O-N 3.39Å
164I88.1Confident83.7Confident0 Ų053.2 Ų53.20%028%0.277CS..Hα-helixtrans-64.7-39.4-178.2-64.8165.2000110.2I44 E47 I48 L51 V150 L158 D162 F168I44-I164 HydrophobicContact CG2-CG2 4.26Å; E47-I164 HydrophobicContact CB-CD1 4.07Å; E47-I164 HydrophobicContact CB-CG1 3.73Å; I48-I164 HydrophobicContact CG1-CD1 3.91Å; L51-I164 HydrophobicContact CB-CD1 3.93Å; L51-I164 HydrophobicContact CD2-CD1 3.66Å; L51-I164 HydrophobicContact CG-CD1 4.32Å; V150-I164 HydrophobicContact CG2-CG2 4.29Å; L158-I164 HydrophobicContact CD1-CB 3.75Å; L158-I164 HydrophobicContact CD1-CD1 4.37Å; L158-I164 HydrophobicContact CD1-CG2 3.69Å; D162-I164 PolarHBondContact O-N 2.83Å; D162-I164 WeakPolarHBondContact OD1-CB 3.36Å; D162-I164 PolarHBondContact OD1-N 2.88Å; I164-F168 HydrophobicContact CG2-CD2 3.92Å; I164-F168 HydrophobicContact CG2-CE2 3.39Å; I164-F168 HydrophobicContact CG2-CZ 4.1Å; I164-F168 WeakPolarHBondContact O-CD2 3.3Å; I164-F168 WeakPolarHBondContact O-CG 3.25Å; I164-F168 PolarHBondContact O-N 3.23Å; I164-F168 VanDerWaalsContact O-N 3.1Å
165R86.8Confident82.9Confident89 Ų8957 Ų5734%0.33630%0.304SS..Hα-helixtrans-72.6-44.2177.7-177.4162.9-176.2149.74.7112.2L158 P159 D162 P163 E167 F168 D169L158-R165 HydrophobicContact CB-CB 4.22Å; L158-R165 WeakPolarHBondContact O-CD 3.44Å; L158-R165 PolarHBondContact O-NH1 2.96Å; P159-R165 WeakPolarHBondContact O-CD 3.5Å; D162-R165 HydrophobicContact CB-CB 4.45Å; D162-R165 PolarHBondContact O-N 2.79Å; P163-R165 VanDerWaalsContact C-N 3.29Å; P163-R165 PolarHBondContact O-N 3.39Å; R165-E167 PolarHBondContact O-N 2.78Å; R165-F168 PolarHBondContact O-N 3.27Å; R165-D169 IonicContact NE-OD2 3.72Å; R165-D169 PolarHBondContact NE-OD2 3.45Å; R165-D169 PolarHBondContact O-N 3.29Å
166M87Confident82Confident59 Ų5957.6 Ų57.629%0.29132%0.324SS..Hα-helixtrans-58.4-39.6177-68.9-172.5-69.600111.5P160 H161 D162 P163 D169 D170 Q171 E172P160-M166 WeakPolarHBondContact O-CG 3.35Å; H161-M166 WeakPolarHBondContact O-CE 3.4Å; D162-M166 PolarHBondContact O-N 3Å; P163-M166 HydrophobicContact CB-CE 4.46Å; P163-M166 HydrophobicContact CG-CE 4.46Å; P163-M166 PolarHBondContact O-N 3Å; M166-D169 PolarHBondContact O-N 2.98Å; M166-D170 PolarHBondContact O-N 3.17Å; M166-Q171 PolarHBondContact O-N 3.31Å; M166-E172 PolarHBondContact O-N 2.86Å
167E86.5Confident81.6Confident18 Ų1853.9 Ų53.98%0.08431%0.309CS..Hα-helixtrans-63.2-50172.4-66.1-89.2156.800110.1K40 R43 I44 P163 R165 D169 D170 E172K40-E167 WeakPolarHBondContact CE-O 3.43Å; K40-E167 WeakPolarHBondContact CG-OE2 3.31Å; K40-E167 PolarHBondContact NZ-O 2.91Å; R43-E167 IonicContact CZ-OE1 2.6Å; R43-E167 IonicContact CZ-OE2 3.47Å; R43-E167 IonicContact NE-OE1 3.17Å; R43-E167 PolarHBondContact NE-OE1 2.8Å; R43-E167 IonicContact NE-OE2 2.56Å; R43-E167 PolarHBondContact NE-OE2 2.89Å; R43-E167 IonicContact NH2-OE1 2.92Å; R43-E167 IonicContact NH2-OE2 3.95Å; R43-E167 PolarHBondContact NH2-OE2 3.4Å; I44-E167 HydrophobicContact CD1-CB 4.08Å; I44-E167 HydrophobicContact CG1-CB 3.83Å; I44-E167 HydrophobicContact CG1-CG 4.3Å; P163-E167 WeakPolarHBondContact O-CB 3.36Å; P163-E167 WeakPolarHBondContact O-CG 3.35Å; P163-E167 PolarHBondContact O-N 3.39Å; R165-E167 PolarHBondContact O-N 2.78Å; E167-D169 VanDerWaalsContact C-N 3.26Å; E167-D169 PolarHBondContact O-N 2.88Å; E167-D170 PolarHBondContact O-N 2.92Å; E167-D170 VanDerWaalsContact O-N 3.13Å; E167-E172 HydrophobicContact CG-CB 4.45Å
168F86.3Confident81.1Confident32 Ų3260.6 Ų60.614%0.1434%0.336CS..Hα-helixtrans-58.9-33.8178.2-71.4-46.4000114.6I44 L146 R147 V150 I164 R165 D170I44-F168 HydrophobicContact CD1-CD1 4.05Å; I44-F168 HydrophobicContact CD1-CE1 3.76Å; I44-F168 HydrophobicContact CD1-CZ 4.37Å; I44-F168 HydrophobicContact CG2-CZ 4.25Å; L146-F168 HydrophobicContact CB-CE1 4.47Å; L146-F168 HydrophobicContact CB-CZ 4.18Å; R147-F168 HydrophobicContact CB-CE1 4.18Å; R147-F168 HydrophobicContact CB-CZ 4.16Å; V150-F168 HydrophobicContact CG2-CE2 4.3Å; I164-F168 HydrophobicContact CG2-CD2 3.92Å; I164-F168 HydrophobicContact CG2-CE2 3.39Å; I164-F168 HydrophobicContact CG2-CZ 4.1Å; I164-F168 WeakPolarHBondContact O-CD2 3.3Å; I164-F168 WeakPolarHBondContact O-CG 3.25Å; I164-F168 PolarHBondContact O-N 3.23Å; I164-F168 VanDerWaalsContact O-N 3.1Å; R165-F168 PolarHBondContact O-N 3.27Å; F168-D170 VanDerWaalsContact C-N 3.34Å
169D84.9Confident80.6Confident69 Ų6961.2 Ų61.237%0.36934%0.342SS..THydrogen-bonded Turntrans-89.54.8-178.5-67.4-24.5000113.1R165 M166 E167 Q171R165-D169 IonicContact NE-OD2 3.72Å; R165-D169 PolarHBondContact NE-OD2 3.45Å; R165-D169 PolarHBondContact O-N 3.29Å; M166-D169 PolarHBondContact O-N 2.98Å; E167-D169 VanDerWaalsContact C-N 3.26Å; E167-D169 PolarHBondContact O-N 2.88Å; D169-Q171 HydrophobicContact CB-CG 4.47Å; D169-Q171 PolarHBondContact O-N 2.87Å
170D82.3Confident80.2Confident123 Ų12363.3 Ų63.366%0.65836%0.356SS*.THydrogen-bonded Turntrans57.926.9-177.4-64.9-55.6000113.5K40 M166 E167 F168K40-D170 IonicContact NZ-OD1 3.32Å; K40-D170 PolarHBondContact NZ-OD1 3.44Å; M166-D170 PolarHBondContact O-N 3.17Å; E167-D170 PolarHBondContact O-N 2.92Å; E167-D170 VanDerWaalsContact O-N 3.13Å; F168-D170 VanDerWaalsContact C-N 3.34Å
171Q77.8Confident79.9Confident151 Ų15166.4 Ų66.471%0.70637%0.368SS*.  trans-105.719179.1-65.7-170.5-12.500112.9M166 D169 D173M166-Q171 PolarHBondContact O-N 3.31Å; D169-Q171 HydrophobicContact CB-CG 4.47Å; D169-Q171 PolarHBondContact O-N 2.87Å; Q171-D173 PolarHBondContact O-N 3.34Å
172E71.8Confident79.7Confident52 Ų5269.1 Ų69.124%0.24338%0.381CS..  trans-62.1124.5179.858.9-164.8-13700112.2R43 M166 E167 L174R43-E172 IonicContact CZ-OE1 3.25Å; R43-E172 IonicContact NH2-OE1 3.88Å; R43-E172 PolarHBondContact NH2-OE1 2.92Å; R43-E172 IonicContact NH2-OE2 2.83Å; R43-E172 PolarHBondContact NH2-OE2 3.33Å; M166-E172 PolarHBondContact O-N 2.86Å; E167-E172 HydrophobicContact CG-CB 4.45Å; E172-L174 HydrophobicContact CB-CD2 4.39Å; E172-L174 HydrophobicContact CB-CG 4.49Å; E172-L174 HydrophobicContact CG-CD1 4.44Å; E172-L174 HydrophobicContact CG-CD2 4.34Å; E172-L174 HydrophobicContact CG-CG 4.11Å; E172-L174 PolarHBondContact O-N 3.31Å
173D72.7Confident79.7Confident123 Ų12370.6 Ų70.666%0.65839%0.39SS*.  trans-89.898.9166.1-172.55.5000109.2Q171 S175Q171-D173 PolarHBondContact O-N 3.34Å; D173-S175 VanDerWaalsContact CG-OG 3.26Å; D173-S175 PolarHBondContact O-N 2.68Å; D173-S175 WeakPolarHBondContact OD1-CB 3.32Å; D173-S175 PolarHBondContact OD1-N 3.14Å; D173-S175 PolarHBondContact OD1-OG 2.99Å; D173-S175 PolarHBondContact OD2-OG 2.99Å; D173-S175 VanDerWaalsContact OD2-OG 3.13Å
174L73.8Confident79.7Confident29 Ų2969.6 Ų69.615%0.15238%0.384CS..  trans-82.81.1176.8-59.4176.3000112.4E172 G176 T177 A179 S180 V183E172-L174 HydrophobicContact CB-CD2 4.39Å; E172-L174 HydrophobicContact CB-CG 4.49Å; E172-L174 HydrophobicContact CG-CD1 4.44Å; E172-L174 HydrophobicContact CG-CD2 4.34Å; E172-L174 HydrophobicContact CG-CG 4.11Å; E172-L174 PolarHBondContact O-N 3.31Å; L174-G176 PolarHBondContact O-N 3.14Å; L174-T177 PolarHBondContact O-N 2.93Å; L174-T177 PolarHBondContact O-OG1 3.08Å; L174-A179 HydrophobicContact CD2-CB 4.12Å; L174-S180 VanDerWaalsContact O-CB 3.24Å; L174-S180 WeakPolarHBondContact O-CB 3.28Å; L174-V183 HydrophobicContact CD1-CB 4.32Å; L174-V183 HydrophobicContact CD1-CG2 3.66Å
175S71.4Confident79.6Confident82 Ų8272.9 Ų72.957%0.57340%0.404SS*.THydrogen-bonded Turntrans-61.3133.6-177.872.80000111.4D173 T177D173-S175 VanDerWaalsContact CG-OG 3.26Å; D173-S175 PolarHBondContact O-N 2.68Å; D173-S175 WeakPolarHBondContact OD1-CB 3.32Å; D173-S175 PolarHBondContact OD1-N 3.14Å; D173-S175 PolarHBondContact OD1-OG 2.99Å; D173-S175 PolarHBondContact OD2-OG 2.99Å; D173-S175 VanDerWaalsContact OD2-OG 3.13Å; S175-T177 VanDerWaalsContact C-N 3.25Å; S175-T177 PolarHBondContact O-N 2.86Å
176G67.1Low79.5Confident87 Ų8773.1 Ų73.190%0.89741%0.409SS*.THydrogen-bonded Turntrans76.8-8.5179.500000116.5L174L174-G176 PolarHBondContact O-N 3.14Å
177T75.9Confident79.4Confident73 Ų7378.3 Ų78.345%0.44843%0.432SS..SBendtrans-91.1154.2174.332.80000112.6L174 S175 A179 S180L174-T177 PolarHBondContact O-N 2.93Å; L174-T177 PolarHBondContact O-OG1 3.08Å; S175-T177 VanDerWaalsContact C-N 3.25Å; S175-T177 PolarHBondContact O-N 2.86Å; T177-A179 PolarHBondContact O-N 3.2Å; T177-A179 VanDerWaalsContact O-N 3.13Å; T177-S180 PolarHBondContact O-N 3Å; T177-S180 PolarHBondContact O-OG 3.33Å
178Q75.4Confident79.4Confident161 Ų16180.5 Ų80.575%0.75244%0.443SS*.Hα-helixtrans-57.7-26174.1-66.6-173.7-1.100112.6S180 L181Q178-S180 VanDerWaalsContact C-N 3.3Å; Q178-S180 PolarHBondContact O-N 3.24Å; Q178-L181 PolarHBondContact O-N 3.49Å
179A76.8Confident79.5Confident19 Ų1979 Ų7916%0.15744%0.436CS..Hα-helixtrans-60.1-35.2175.600000113L174 T177 L181 Q182 V183L174-A179 HydrophobicContact CD2-CB 4.12Å; T177-A179 PolarHBondContact O-N 3.2Å; T177-A179 VanDerWaalsContact O-N 3.13Å; A179-L181 PolarHBondContact O-N 2.93Å; A179-Q182 PolarHBondContact O-N 2.92Å; A179-V183 PolarHBondContact O-N 2.74Å
180S77.6Confident79.8Confident44 Ų4477.2 Ų77.231%0.30843%0.426SS..Hα-helixtrans-60.3-32.617760.70000113.8L174 T177 Q178 Q182L174-S180 VanDerWaalsContact O-CB 3.24Å; L174-S180 WeakPolarHBondContact O-CB 3.28Å; T177-S180 PolarHBondContact O-N 3Å; T177-S180 PolarHBondContact O-OG 3.33Å; Q178-S180 VanDerWaalsContact C-N 3.3Å; Q178-S180 PolarHBondContact O-N 3.24Å; S180-Q182 PolarHBondContact O-N 3.44Å
181L78.6Confident80.1Confident130 Ų13071.4 Ų71.468%0.68140%0.395SS*.Hα-helixtrans-72-22.9177.2-60.7175.2000111.8R8 Q178 A179R8-L181 PolarHBondContact NH2-O 3.29Å; Q178-L181 PolarHBondContact O-N 3.49Å; A179-L181 PolarHBondContact O-N 2.93Å
182Q81.8Confident80.8Confident88 Ų8865.7 Ų65.741%0.41137%0.367SS..Hα-helixtrans-91.2-38.2-178.4-62.5-170.64.800112.2R8 Y35 L39 A179 S180 I184R8-Q182 VanDerWaalsContact NH1-CA 3.34Å; R8-Q182 PolarHBondContact NH1-O 3.26Å; Y35-Q182 WeakPolarHBondContact CE1-O 3.44Å; L39-Q182 HydrophobicContact CD1-CB 3.95Å; L39-Q182 HydrophobicContact CD2-CB 4.47Å; A179-Q182 PolarHBondContact O-N 2.92Å; S180-Q182 PolarHBondContact O-N 3.44Å; Q182-I184 PolarHBondContact O-N 3.47Å
183V85.6Confident81.7Confident32 Ų3266.2 Ų66.219%0.19437%0.367CS..  trans-63.7135178.1176.20000110.8L39 L174 A179L39-V183 HydrophobicContact CD1-CG2 4.24Å; L174-V183 HydrophobicContact CD1-CB 4.32Å; L174-V183 HydrophobicContact CD1-CG2 3.66Å; A179-V183 PolarHBondContact O-N 2.74Å
184I85.5Confident82.3Confident0 Ų064.4 Ų64.40%037%0.368CS..  trans-121.9119.5-179.9-69.5163.2000107.9T32 Y35 N36 Q182 C189 L220T32-I184 VanDerWaalsContact CG2-O 3.22Å; T32-I184 WeakPolarHBondContact CG2-O 3.25Å; Y35-I184 HydrophobicContact CE1-CD1 4.11Å; N36-I184 PolarHBondContact ND2-O 2.85Å; N36-I184 PolarHBondContact OD1-N 3.37Å; N36-I184 PolarHBondContact OD1-O 3.35Å; Q182-I184 PolarHBondContact O-N 3.47Å; I184-C189 HydrophobicContact CG2-CB 3.65Å; I184-L220 HydrophobicContact CD1-CD2 3.25Å; I184-L220 HydrophobicContact CD1-CG 4.36Å
185T86Confident82.7Confident69 Ų6965.7 Ų65.742%0.42339%0.389SS..  trans-69.2154.4175.561.30000110.5E187 E188 C189T185-E187 PolarHBondContact O-N 3.5Å; T185-E188 PolarHBondContact O-N 3.34Å; T185-E188 VanDerWaalsContact OG1-CB 3.31Å; T185-E188 WeakPolarHBondContact OG1-CB 3.38Å; T185-E188 VanDerWaalsContact OG1-CD 3.28Å; T185-E188 WeakPolarHBondContact OG1-CG 3.37Å; T185-E188 PolarHBondContact OG1-N 2.99Å; T185-E188 PolarHBondContact OG1-OE2 2.99Å; T185-C189 PolarHBondContact O-N 2.86Å
186E84.6Confident83.5Confident94 Ų9468.7 Ų68.744%0.43939%0.391SS..THydrogen-bonded Turntrans-59.1-32-179.6-66.7-173.6-174.300112.5T32 R200T32-E186 HydrophobicContact CG2-CG 4.26Å; E186-R200 VanDerWaalsContact O-CZ 3.23Å; E186-R200 PolarHBondContact O-NH1 2.83Å; E186-R200 VanDerWaalsContact O-NH1 3.15Å; E186-R200 PolarHBondContact O-NH2 3.33Å
187E84.9Confident84.5Confident168 Ų16868.1 Ų68.179%0.78537%0.365SS*.THydrogen-bonded Turntrans-76.9-32.8179.9-60.3-174.8176.300112.8T185T185-E187 PolarHBondContact O-N 3.5Å
188E86.9Confident85.2Confident64 Ų6464.9 Ų64.930%0.29935%0.345SS..THydrogen-bonded Turntrans-87.4-7.3-179.4-62.6175131.200112.7T185 Q190 K222 K223T185-E188 PolarHBondContact O-N 3.34Å; T185-E188 VanDerWaalsContact OG1-CB 3.31Å; T185-E188 WeakPolarHBondContact OG1-CB 3.38Å; T185-E188 VanDerWaalsContact OG1-CD 3.28Å; T185-E188 WeakPolarHBondContact OG1-CG 3.37Å; T185-E188 PolarHBondContact OG1-N 2.99Å; T185-E188 PolarHBondContact OG1-OE2 2.99Å; E188-Q190 PolarHBondContact O-N 3.33Å; E188-K222 HydrophobicContact CB-CG 4.12Å; E188-K222 CarbonylContact O-C 3.54Å; E188-K222 WeakPolarHBondContact OE1-CE 3.5Å; E188-K222 IonicContact OE1-NZ 3.25Å; E188-K222 PolarHBondContact OE1-NZ 3.43Å; E188-K222 WeakPolarHBondContact OE2-CE 3.3Å; E188-K222 IonicContact OE2-NZ 2.99Å; E188-K222 PolarHBondContact OE2-NZ 2.7Å; E188-K223 HydrophobicContact CB-CB 4.25Å; E188-K223 WeakPolarHBondContact O-CB 3.33Å; E188-K223 PolarHBondContact O-N 3.42Å
189C88.9Confident85.8Confident2 Ų261.9 Ų61.91%0.01433%0.331CS..EExtended strand (participates in β ladder)trans-73.7126.5-179.4-170.20000112.4I28 T32 I184 T185 R200I28-C189 HydrophobicContact CG2-CB 3.94Å; T32-C189 HydrophobicContact CG2-CB 4.35Å; T32-C189 VanDerWaalsContact OG1-CB 3.31Å; T32-C189 WeakPolarHBondContact OG1-CB 3.02Å; T32-C189 PolarHBondContact OG1-SG 3.02Å; I184-C189 HydrophobicContact CG2-CB 3.65Å; T185-C189 PolarHBondContact O-N 2.86Å; C189-R200 PolarHBondContact O-NH2 3.41Å
190Q89.7Confident86.2Confident31 Ų3165.5 Ų65.515%0.14534%0.341CS..EExtended strand (participates in β ladder)trans-122.4133.1171.2-67.4179.7-43.900110.1E188 E197 Q221E188-Q190 PolarHBondContact O-N 3.33Å; Q190-E197 PolarHBondContact NE2-OE1 3.46Å; Q190-Q221 PolarHBondContact N-O 3.16Å; Q190-Q221 PolarHBondContact O-N 3.01Å
191L90.4Very high86.5Confident1 Ų166 Ų661%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-104.9133.7173.4-67.8-179.5000110.1V27 I28 V31 M198 V218 L220V27-L191 HydrophobicContact CG1-CD1 4.42Å; I28-L191 HydrophobicContact CB-CD1 4.38Å; I28-L191 HydrophobicContact CG1-CB 4.49Å; I28-L191 HydrophobicContact CG1-CD1 3.48Å; I28-L191 VanDerWaalsContact CG1-CD1 3.48Å; I28-L191 HydrophobicContact CG1-CG 3.84Å; V31-L191 HydrophobicContact CG1-CD2 4.22Å; L191-M198 HydrophobicContact CB-CB 4.4Å; L191-M198 HydrophobicContact CB-CE 3.46Å; L191-M198 VanDerWaalsContact CB-CE 3.46Å; L191-M198 HydrophobicContact CD1-CE 3.93Å; L191-M198 HydrophobicContact CG-CE 4.34Å; L191-M198 WeakPolarHBondContact O-CB 3.06Å; L191-M198 PolarHBondContact O-N 2.96Å; L191-V218 HydrophobicContact CB-CG1 3.79Å; L191-V218 HydrophobicContact CD1-CG1 4.35Å; L191-V218 HydrophobicContact CD2-CG1 3.81Å; L191-V218 HydrophobicContact CG-CG1 4.19Å; L191-L220 HydrophobicContact CD2-CB 4.22Å; L191-L220 HydrophobicContact CD2-CD1 3.98Å; L191-L220 HydrophobicContact CD2-CG 4.41Å
192W91.7Very high87.1Confident31 Ų3163.9 Ų63.912%0.11734%0.338CS..EExtended strand (participates in β ladder)trans-119.9131.6-179.2-7280.6000110.6G195 K196 E197 V218 K219 A227 P228W192-G195 WeakPolarHBondContact CZ3-O 3.48Å; W192-K196 WeakPolarHBondContact CA-O 3.06Å; W192-K196 VanDerWaalsContact CE3-C 3.44Å; W192-E197 HydrophobicContact CD2-CB 4.17Å; W192-E197 HydrophobicContact CE3-CB 4.24Å; W192-E197 HydrophobicContact CH2-CB 4.01Å; W192-E197 HydrophobicContact CZ2-CB 3.95Å; W192-E197 HydrophobicContact CZ2-CG 4.32Å; W192-E197 HydrophobicContact CZ3-CB 4.17Å; W192-V218 CarbonylContact O-C 3.58Å; W192-V218 WeakPolarHBondContact O-CA 3.3Å; W192-V218 WeakPolarHBondContact O-CG1 3.46Å; W192-K219 HydrophobicContact CB-CB 4.33Å; W192-K219 PolarHBondContact N-O 3.37Å; W192-K219 PolarHBondContact O-N 3.2Å; W192-A227 HydrophobicContact CE3-CB 4.15Å; W192-A227 HydrophobicContact CH2-CB 3.54Å; W192-A227 HydrophobicContact CZ2-CB 4.21Å; W192-A227 HydrophobicContact CZ3-CB 3.5Å; W192-A227 VanDerWaalsContact CZ3-CB 3.5Å; W192-P228 HydrophobicContact CB-CG 3.61Å; W192-P228 HydrophobicContact CD2-CG 4.08Å; W192-P228 HydrophobicContact CE3-CG 4.41Å; W192-P228 VanDerWaalsContact CG-CD 3.43Å; W192-P228 HydrophobicContact CG-CG 3.72Å
193W90.3Very high87.5Confident63 Ų6362.8 Ų62.824%0.23933%0.332CS..EExtended strand (participates in β ladder)trans-129.7129.3175177.669.6000109.8G195 K196 M198 Y207 L216W193-G195 PolarHBondContact O-N 3.49Å; W193-G195 VanDerWaalsContact O-N 3.1Å; W193-K196 PolarHBondContact N-O 2.9Å; W193-K196 PolarHBondContact O-N 2.98Å; W193-M198 HydrophobicContact CB-CE 4.45Å; W193-M198 HydrophobicContact CB-CG 4.13Å; W193-M198 HydrophobicContact CB-SD 3.88Å; W193-Y207 HydrophobicContact CE3-CD1 4.4Å; W193-Y207 WeakPolarHBondContact CH2-O 3.46Å; W193-Y207 WeakPolarHBondContact CZ3-O 3.36Å; W193-L216 HydrophobicContact CZ2-CD2 3.93Å
194A84.9Confident87.6Confident84 Ų8461.2 Ų61.269%0.69432%0.323SS*.THydrogen-bonded Turntrans49.237.3-179.400000114.4K196A194-K196 VanDerWaalsContact C-N 3.27Å; A194-K196 PolarHBondContact O-N 2.94Å
195G83.3Confident87.7Confident56 Ų5664.3 Ų64.358%0.57734%0.337SS*.THydrogen-bonded Turntrans76.47.6-179.300000115.1W192 W193W192-G195 WeakPolarHBondContact CZ3-O 3.48Å; W193-G195 PolarHBondContact O-N 3.49Å; W193-G195 VanDerWaalsContact O-N 3.1Å
196K87.5Confident87.8Confident146 Ų14665.7 Ų65.764%0.63534%0.342SS*.EExtended strand (participates in β ladder)trans-112.1137.8173.4-66-177.3179.6178.90110.8W192 W193 A194W192-K196 WeakPolarHBondContact CA-O 3.06Å; W192-K196 VanDerWaalsContact CE3-C 3.44Å; W193-K196 PolarHBondContact N-O 2.9Å; W193-K196 PolarHBondContact O-N 2.98Å; A194-K196 VanDerWaalsContact C-N 3.27Å; A194-K196 PolarHBondContact O-N 2.94Å
197E89.3Confident87.9Confident75 Ų7563.3 Ų63.335%0.3533%0.329SS..EExtended strand (participates in β ladder)trans-70130.7172.1-170.3-178.6172.600110.1Q190 W192 Q199 Y207Q190-E197 PolarHBondContact NE2-OE1 3.46Å; W192-E197 HydrophobicContact CD2-CB 4.17Å; W192-E197 HydrophobicContact CE3-CB 4.24Å; W192-E197 HydrophobicContact CH2-CB 4.01Å; W192-E197 HydrophobicContact CZ2-CB 3.95Å; W192-E197 HydrophobicContact CZ2-CG 4.32Å; W192-E197 HydrophobicContact CZ3-CB 4.17Å; E197-Q199 PolarHBondContact O-N 3.32Å; E197-Y207 PolarHBondContact O-OH 2.88Å; E197-Y207 VanDerWaalsContact O-OH 3.14Å
198M89.1Confident87.9Confident4 Ų456.5 Ų56.52%0.0230%0.299CS..EExtended strand (participates in β ladder)trans-84.1106.7172.9-65-160.6-64.800109L24 L191 W193 L204 Y207 V218L24-M198 HydrophobicContact CD1-CB 3.94Å; L24-M198 HydrophobicContact CD2-CB 3.91Å; L24-M198 HydrophobicContact CD2-CE 4.01Å; L24-M198 HydrophobicContact CD2-CG 4.42Å; L24-M198 HydrophobicContact CD2-SD 3.78Å; L191-M198 HydrophobicContact CB-CB 4.4Å; L191-M198 HydrophobicContact CB-CE 3.46Å; L191-M198 VanDerWaalsContact CB-CE 3.46Å; L191-M198 HydrophobicContact CD1-CE 3.93Å; L191-M198 HydrophobicContact CG-CE 4.34Å; L191-M198 WeakPolarHBondContact O-CB 3.06Å; L191-M198 PolarHBondContact O-N 2.96Å; W193-M198 HydrophobicContact CB-CE 4.45Å; W193-M198 HydrophobicContact CB-CG 4.13Å; W193-M198 HydrophobicContact CB-SD 3.88Å; M198-L204 HydrophobicContact SD-CD1 4.46Å; M198-Y207 HydrophobicContact CG-CD1 4.38Å; M198-Y207 HydrophobicContact CG-CE1 4.33Å; M198-V218 HydrophobicContact CE-CG1 3.56Å; M198-V218 HydrophobicContact CE-CG2 4.13Å
199Q87.4Confident87.8Confident98 Ų9855 Ų5546%0.45830%0.301SS..  trans-76138.8-174-68.4179-26.700111.3L24 E197 K202 Y207L24-Q199 WeakPolarHBondContact CD1-O 3.29Å; E197-Q199 PolarHBondContact O-N 3.32Å; Q199-K202 HydrophobicContact CB-CD 4.4Å; Q199-K202 PolarHBondContact O-N 2.84Å; Q199-Y207 PolarHBondContact N-OH 3.5Å
200R86.6Confident87.7Confident96 Ų9665.8 Ų65.836%0.36234%0.341SS..THydrogen-bonded Turntrans-61.6144170.9-63180-174.9-116.5-4110.2I28 E186 C189I28-R200 HydrophobicContact CD1-CG 3.78Å; I28-R200 VanDerWaalsContact CG2-NH2 3.33Å; E186-R200 VanDerWaalsContact O-CZ 3.23Å; E186-R200 PolarHBondContact O-NH1 2.83Å; E186-R200 VanDerWaalsContact O-NH1 3.15Å; E186-R200 PolarHBondContact O-NH2 3.33Å; C189-R200 PolarHBondContact O-NH2 3.41Å
201G84.4Confident87.5Confident55 Ų5568.5 Ų68.557%0.56736%0.357SS*.THydrogen-bonded Turntrans89.3-13.1-177.200000115.8
202K90Very high87.2Confident84 Ų8472.7 Ų72.737%0.36538%0.377SS..SBendtrans-90163.9171.3-72.4-1801781640111.7L24 Q199 Y207L24-K202 WeakPolarHBondContact CB-O 3.25Å; L24-K202 HydrophobicContact CD1-CB 4.03Å; L24-K202 PolarHBondContact N-O 3.25Å; Q199-K202 HydrophobicContact CB-CD 4.4Å; Q199-K202 PolarHBondContact O-N 2.84Å; K202-Y207 HydrophobicContact CB-CE2 4.15Å; K202-Y207 HydrophobicContact CD-CE2 4.05Å
203K90.8Very high86.9Confident65 Ų6580.5 Ų80.528%0.28341%0.411SS..BIsolated β-bridgetrans-93.6155.9172.2-69.2-176.1170.9-167.40110.5D21 L23 Q205 D206D21-K203 IonicContact OD1-NZ 2.67Å; D21-K203 PolarHBondContact OD1-NZ 3.02Å; D21-K203 IonicContact OD2-NZ 3.89Å; L23-K203 HydrophobicContact CD2-CG 4.02Å; K203-Q205 HydrophobicContact CB-CG 3.64Å; K203-Q205 HydrophobicContact CD-CG 4.37Å; K203-Q205 PolarHBondContact O-N 2.89Å; K203-D206 PolarHBondContact N-OD2 2.98Å; K203-D206 PolarHBondContact O-N 3.47Å; K203-D206 VanDerWaalsContact O-N 3.13Å
204L87.2Confident86.8Confident0 Ų079.4 Ų79.40%041%0.412CS..THydrogen-bonded Turntrans-59.2-33.8176.8-160.485.6000111.8V2 T18 S22 L24 M198 D206 Y207 V208V2-L204 HydrophobicContact CB-CD2 4.13Å; V2-L204 HydrophobicContact CG1-CD2 3.9Å; V2-L204 HydrophobicContact CG2-CD2 4.22Å; T18-L204 HydrophobicContact CG2-CD2 3.83Å; S22-L204 PolarHBondContact O-N 3.46Å; S22-L204 VanDerWaalsContact O-N 3.14Å; L24-L204 HydrophobicContact CD2-CD1 3.8Å; M198-L204 HydrophobicContact SD-CD1 4.46Å; L204-D206 PolarHBondContact O-N 2.62Å; L204-Y207 PolarHBondContact O-N 3.02Å; L204-Y207 VanDerWaalsContact O-N 3.15Å; L204-V208 HydrophobicContact CG-CG2 4.23Å; L204-V208 PolarHBondContact O-N 3.25Å; L204-V208 VanDerWaalsContact O-N 3.13Å
205Q88.5Confident87Confident65 Ų6580 Ų8030%0.30440%0.399SS..Hα-helixtrans-57.6-26.5176.863.7173.79.100114.3T20 K203 Y207 G209T20-Q205 WeakPolarHBondContact O-CB 3.24Å; T20-Q205 PolarHBondContact O-N 2.91Å; K203-Q205 HydrophobicContact CB-CG 3.64Å; K203-Q205 HydrophobicContact CD-CG 4.37Å; K203-Q205 PolarHBondContact O-N 2.89Å; Q205-Y207 PolarHBondContact O-N 3.25Å; Q205-G209 WeakPolarHBondContact CA-O 3.48Å; Q205-G209 WeakPolarHBondContact O-CA 3.37Å; Q205-G209 PolarHBondContact O-N 2.86Å
206D87.9Confident87.3Confident97 Ų9777.7 Ų77.752%0.51937%0.373SS..Hα-helixtrans-71.5-20.9-177.6-60.6-26.5000111.5K203 L204K203-D206 PolarHBondContact N-OD2 2.98Å; K203-D206 PolarHBondContact O-N 3.47Å; K203-D206 VanDerWaalsContact O-N 3.13Å; L204-D206 PolarHBondContact O-N 2.62Å
207Y86.7Confident87.4Confident44 Ų4473.6 Ų73.617%0.17336%0.36CS..Hα-helixtrans-99.7-44.1178.6-68.4-92.6000111.7L24 W193 E197 M198 Q199 K202 L204 Q205L24-Y207 HydrophobicContact CD1-CD2 3.87Å; L24-Y207 HydrophobicContact CD1-CE2 3.49Å; L24-Y207 VanDerWaalsContact CD1-CE2 3.49Å; W193-Y207 HydrophobicContact CE3-CD1 4.4Å; W193-Y207 WeakPolarHBondContact CH2-O 3.46Å; W193-Y207 WeakPolarHBondContact CZ3-O 3.36Å; E197-Y207 PolarHBondContact O-OH 2.88Å; E197-Y207 VanDerWaalsContact O-OH 3.14Å; M198-Y207 HydrophobicContact CG-CD1 4.38Å; M198-Y207 HydrophobicContact CG-CE1 4.33Å; Q199-Y207 PolarHBondContact N-OH 3.5Å; K202-Y207 HydrophobicContact CB-CE2 4.15Å; K202-Y207 HydrophobicContact CD-CE2 4.05Å; L204-Y207 PolarHBondContact O-N 3.02Å; L204-Y207 VanDerWaalsContact O-N 3.15Å; Q205-Y207 PolarHBondContact O-N 3.25Å
208V84.2Confident87.6Confident26 Ų2670 Ų7016%0.15834%0.343CS..Hα-helixtrans-99.3-17.4-168.5-174.50000112.1L204 L216L204-V208 HydrophobicContact CG-CG2 4.23Å; L204-V208 PolarHBondContact O-N 3.25Å; L204-V208 VanDerWaalsContact O-N 3.13Å; V208-L216 HydrophobicContact CB-CD1 4.27Å; V208-L216 HydrophobicContact CG1-CD1 3.99Å; V208-L216 HydrophobicContact CG1-CD2 3.95Å; V208-L216 HydrophobicContact CG1-CG 4.49Å; V208-L216 HydrophobicContact CG2-CD1 3.27Å; V208-L216 HydrophobicContact CG2-CD2 4.12Å; V208-L216 HydrophobicContact CG2-CG 4.34Å
209G85.5Confident87.7Confident33 Ų3370.7 Ų70.734%0.3435%0.346SS..  trans80.6-160.5-169.700000112.6Q205 N211Q205-G209 WeakPolarHBondContact CA-O 3.48Å; Q205-G209 WeakPolarHBondContact O-CA 3.37Å; Q205-G209 PolarHBondContact O-N 2.86Å; G209-N211 VanDerWaalsContact C-N 3.29Å; G209-N211 PolarHBondContact O-N 3.37Å
210R86.1Confident87.8Confident227 Ų22766.1 Ų66.186%0.85733%0.325SS*.SBendtrans-87.18.4-177.1-62.6-178.5-178.71760.5113.9E212R210-E212 PolarHBondContact O-N 3.15Å
211N85.3Confident87.9Confident89 Ų8962.6 Ų62.648%0.47631%0.313SS..  trans-81.9114.3-177-168.1-4.7000110.9T20 G209 K213 T214T20-N211 WeakPolarHBondContact CG2-O 3.13Å; G209-N211 VanDerWaalsContact C-N 3.29Å; G209-N211 PolarHBondContact O-N 3.37Å; N211-K213 PolarHBondContact OD1-N 2.88Å; N211-T214 PolarHBondContact ND2-OG1 3.08Å
212E84.9Confident88.1Confident89 Ų8962.9 Ų62.942%0.41630%0.298SS..SBendtrans-90.9-4.5177.9-79.1-161.7-172.400114.3M1 V2 T20 R210M1-E212 CarbonylContact C-O 3.58Å; M1-E212 WeakPolarHBondContact CA-O 3.33Å; M1-E212 PolarHBondContact N-O 3.22Å; V2-E212 PolarHBondContact N-O 2.67Å; T20-E212 HydrophobicContact CG2-CG 4.02Å; R210-E212 PolarHBondContact O-N 3.15Å
213K85.9Confident87.8Confident195 Ų19565.4 Ų65.485%0.84831%0.309SS*.SBendtrans-108.957.6179.2-67.5-176.6-179.6179.70110N211N211-K213 PolarHBondContact OD1-N 2.88Å
214T86.7Confident87.3Confident40 Ų4066 Ų6625%0.24533%0.333CS..  trans-132139.3-174.5-44.30000110.9V2 Q3 N211 L216V2-T214 WeakPolarHBondContact CA-O 3.36Å; Q3-T214 PolarHBondContact N-O 2.99Å; N211-T214 PolarHBondContact ND2-OG1 3.08Å; T214-L216 HydrophobicContact CG2-CD2 3.75Å; T214-L216 HydrophobicContact CG2-CG 4.48Å
215K89.5Confident86.9Confident96 Ų9671.2 Ų71.242%0.41736%0.358SS..EExtended strand (participates in β ladder)trans-101.5124170.4-173173.8-173.51660108.6Q3 N131Q3-K215 HydrophobicContact CB-CG 4.42Å; Q3-K215 HydrophobicContact CG-CG 4.48Å; Q3-K215 CarbonylContact O-C 3.52Å; Q3-K215 VanDerWaalsContact O-CA 3.28Å; Q3-K215 WeakPolarHBondContact O-CA 3.39Å; Q3-K215 VanDerWaalsContact OE1-CD 3.29Å; Q3-K215 VanDerWaalsContact OE1-CE 3.27Å; N131-K215 PolarHBondContact OD1-NZ 3.37Å
216L90Very high86.4Confident7 Ų770 Ų704%0.03736%0.363CS..EExtended strand (participates in β ladder)trans-115.4130.5-176.1-55.4174.1000109.5V2 Q3 L4 H5 W193 V208 T214 V218V2-L216 HydrophobicContact CG1-CD1 3.47Å; V2-L216 VanDerWaalsContact CG1-CD1 3.47Å; V2-L216 HydrophobicContact CG1-CG 3.93Å; Q3-L216 PolarHBondContact O-N 3.27Å; L4-L216 CarbonylContact C-O 3.46Å; L4-L216 HydrophobicContact CD2-CB 3.89Å; L4-L216 HydrophobicContact CD2-CD1 3.68Å; L4-L216 HydrophobicContact CD2-CG 4.25Å; H5-L216 PolarHBondContact N-O 3.42Å; W193-L216 HydrophobicContact CZ2-CD2 3.93Å; V208-L216 HydrophobicContact CB-CD1 4.27Å; V208-L216 HydrophobicContact CG1-CD1 3.99Å; V208-L216 HydrophobicContact CG1-CD2 3.95Å; V208-L216 HydrophobicContact CG1-CG 4.49Å; V208-L216 HydrophobicContact CG2-CD1 3.27Å; V208-L216 HydrophobicContact CG2-CD2 4.12Å; V208-L216 HydrophobicContact CG2-CG 4.34Å; T214-L216 HydrophobicContact CG2-CD2 3.75Å; T214-L216 HydrophobicContact CG2-CG 4.48Å; L216-V218 HydrophobicContact CB-CG2 4.27Å
217V90.4Very high86Confident60 Ų6068.4 Ų68.436%0.36436%0.363SS..EExtended strand (participates in β ladder)trans-89.4114.8171.3-176.80000108.2H5 K7H5-V217 HydrophobicContact CB-CG2 4.39Å; K7-V217 HydrophobicContact CD-CG1 3.73Å; K7-V217 HydrophobicContact CG-CG1 4.09Å
218V91.6Very high85.8Confident1 Ų167.3 Ų67.31%0.00636%0.361CS..EExtended strand (participates in β ladder)trans-116130.8-177.4-175.30000108.8L4 H5 V6 K7 L191 W192 M198 L216L4-V218 HydrophobicContact CB-CG2 4.43Å; L4-V218 HydrophobicContact CD2-CG2 4.05Å; H5-V218 PolarHBondContact O-N 2.95Å; V6-V218 CarbonylContact C-O 3.57Å; V6-V218 WeakPolarHBondContact CA-O 3.15Å; K7-V218 PolarHBondContact N-O 2.8Å; L191-V218 HydrophobicContact CB-CG1 3.79Å; L191-V218 HydrophobicContact CD1-CG1 4.35Å; L191-V218 HydrophobicContact CD2-CG1 3.81Å; L191-V218 HydrophobicContact CG-CG1 4.19Å; W192-V218 CarbonylContact O-C 3.58Å; W192-V218 WeakPolarHBondContact O-CA 3.3Å; W192-V218 WeakPolarHBondContact O-CG1 3.46Å; M198-V218 HydrophobicContact CE-CG1 3.56Å; M198-V218 HydrophobicContact CE-CG2 4.13Å; L216-V218 HydrophobicContact CB-CG2 4.27Å
219K91.3Very high85.6Confident17 Ų1769.6 Ų69.67%0.07438%0.383CS..EExtended strand (participates in β ladder)trans-98.9128.9176.9-65.3-167.5175-152.60110.3K7 G9 D10 W192 P228 A229 E231K7-K219 HydrophobicContact CB-CG 4.43Å; K7-K219 CarbonylContact O-C 3.57Å; K7-K219 WeakPolarHBondContact O-CA 3.44Å; G9-K219 WeakPolarHBondContact O-CE 3.32Å; G9-K219 PolarHBondContact O-NZ 3.07Å; D10-K219 IonicContact OD1-NZ 3.49Å; D10-K219 PolarHBondContact OD1-NZ 3.21Å; W192-K219 HydrophobicContact CB-CB 4.33Å; W192-K219 PolarHBondContact N-O 3.37Å; W192-K219 PolarHBondContact O-N 3.2Å; K219-P228 HydrophobicContact CB-CB 4.09Å; K219-P228 HydrophobicContact CB-CG 3.96Å; K219-P228 HydrophobicContact CD-CB 3.59Å; K219-P228 HydrophobicContact CD-CG 3.89Å; K219-P228 HydrophobicContact CG-CB 4.46Å; K219-P228 HydrophobicContact CG-CG 4.47Å; K219-A229 PolarHBondContact NZ-O 3.16Å; K219-E231 WeakPolarHBondContact CE-OE1 3.42Å; K219-E231 VanDerWaalsContact NZ-CG 3.32Å; K219-E231 IonicContact NZ-OE1 3.86Å
220L91Very high85.1Confident2 Ų278.2 Ų78.21%0.0141%0.405CS..EExtended strand (participates in β ladder)trans-94.7127.4176.6-174.2128.4000109.2V6 K7 V31 Y35 I184 L191V6-L220 HydrophobicContact CG1-CB 4.2Å; V6-L220 HydrophobicContact CG1-CD1 4.46Å; K7-L220 PolarHBondContact O-N 3.49Å; V31-L220 HydrophobicContact CG1-CD1 3.75Å; Y35-L220 HydrophobicContact CD1-CD2 3.94Å; Y35-L220 HydrophobicContact CE1-CD2 4.04Å; Y35-L220 HydrophobicContact CG-CD2 4.22Å; I184-L220 HydrophobicContact CD1-CD2 3.25Å; I184-L220 HydrophobicContact CD1-CG 4.36Å; L191-L220 HydrophobicContact CD2-CB 4.22Å; L191-L220 HydrophobicContact CD2-CD1 3.98Å; L191-L220 HydrophobicContact CD2-CG 4.41Å
221Q88.8Confident84.4Confident23 Ų2370.6 Ų70.611%0.10738%0.379CS..EExtended strand (participates in β ladder)trans-140156-179.3-90.6-174.5-37.300112Q190 G226 P228Q190-Q221 PolarHBondContact N-O 3.16Å; Q190-Q221 PolarHBondContact O-N 3.01Å; Q221-G226 PolarHBondContact OE1-O 3.46Å; Q221-P228 HydrophobicContact CG-CB 4.42Å; Q221-P228 VanDerWaalsContact NE2-CA 3.28Å
222K87.3Confident83.7Confident60 Ų6070.4 Ų70.426%0.26138%0.383SS..EExtended strand (participates in β ladder)trans-83140171.5-168.9173.7179.7157.70110.1E188 G224 Q225E188-K222 HydrophobicContact CB-CG 4.12Å; E188-K222 CarbonylContact O-C 3.54Å; E188-K222 WeakPolarHBondContact OE1-CE 3.5Å; E188-K222 IonicContact OE1-NZ 3.25Å; E188-K222 PolarHBondContact OE1-NZ 3.43Å; E188-K222 WeakPolarHBondContact OE2-CE 3.3Å; E188-K222 IonicContact OE2-NZ 2.99Å; E188-K222 PolarHBondContact OE2-NZ 2.7Å; K222-G224 PolarHBondContact O-N 3.19Å; K222-Q225 HydrophobicContact CB-CG 4.34Å; K222-Q225 WeakPolarHBondContact O-CB 3.19Å; K222-Q225 PolarHBondContact O-N 3.41Å; K222-Q225 VanDerWaalsContact O-N 3.15Å
223K84.8Confident83.1Confident138 Ų13873.7 Ų73.760%0.640%0.403SS*.THydrogen-bonded Turntrans-52.4128.4174.8-168.6176.5-177.7-178.50110.5E188E188-K223 HydrophobicContact CB-CB 4.25Å; E188-K223 WeakPolarHBondContact O-CB 3.33Å; E188-K223 PolarHBondContact O-N 3.42Å
224G79Confident82.6Confident76 Ų7666.9 Ų66.978%0.78438%0.377SS*.THydrogen-bonded Turntrans98.1-8.6-178.600000115.4K222 G226K222-G224 PolarHBondContact O-N 3.19Å; G224-G226 VanDerWaalsContact C-N 3.27Å; G224-G226 PolarHBondContact O-N 3.04Å
225Q78.6Confident82.2Confident110 Ų11068.6 Ų68.651%0.51439%0.388SS..SBendtrans-83.33.5176.5-65.7-173.9-4.700114.3K222K222-Q225 HydrophobicContact CB-CG 4.34Å; K222-Q225 WeakPolarHBondContact O-CB 3.19Å; K222-Q225 PolarHBondContact O-N 3.41Å; K222-Q225 VanDerWaalsContact O-N 3.15Å
226G78.6Confident81.6Confident40 Ų4069.4 Ų69.441%0.41240%0.396SS..  trans68.2-170-178.900000113Q221 G224Q221-G226 PolarHBondContact OE1-O 3.46Å; G224-G226 VanDerWaalsContact C-N 3.27Å; G224-G226 PolarHBondContact O-N 3.04Å
227A80.4Confident81.2Confident63 Ų6376 Ų7652%0.52143%0.427SS..SBendtrans-67.5142.2178.100000111.1W192W192-A227 HydrophobicContact CE3-CB 4.15Å; W192-A227 HydrophobicContact CH2-CB 3.54Å; W192-A227 HydrophobicContact CZ2-CB 4.21Å; W192-A227 HydrophobicContact CZ3-CB 3.5Å; W192-A227 VanDerWaalsContact CZ3-CB 3.5Å
228P82.6Confident80.9Confident21 Ų2177.8 Ų77.814%0.13643%0.431CS..PPolyproline II helixtrans-69.4143.8-18028-31.4000110.7W192 K219 Q221 R230W192-P228 HydrophobicContact CB-CG 3.61Å; W192-P228 HydrophobicContact CD2-CG 4.08Å; W192-P228 HydrophobicContact CE3-CG 4.41Å; W192-P228 VanDerWaalsContact CG-CD 3.43Å; W192-P228 HydrophobicContact CG-CG 3.72Å; K219-P228 HydrophobicContact CB-CB 4.09Å; K219-P228 HydrophobicContact CB-CG 3.96Å; K219-P228 HydrophobicContact CD-CB 3.59Å; K219-P228 HydrophobicContact CD-CG 3.89Å; K219-P228 HydrophobicContact CG-CB 4.46Å; K219-P228 HydrophobicContact CG-CG 4.47Å; Q221-P228 HydrophobicContact CG-CB 4.42Å; Q221-P228 VanDerWaalsContact NE2-CA 3.28Å; P228-R230 PolarHBondContact O-N 2.86Å
229A79.9Confident80.5Confident75 Ų7582.7 Ų82.762%0.6246%0.455SS*.PPolyproline II helixtrans-55.6139.8174.600000110.5K219K219-A229 PolarHBondContact NZ-O 3.16Å
230R75.1Confident80.4Confident214 Ų21488.5 Ų88.581%0.80848%0.48SS*.PPolyproline II helixtrans-68.1137.3175.5-172.6174.5178.1167.6-0.4108.9P228P228-R230 PolarHBondContact O-N 2.86Å
231E70.7Confident80.3Confident66 Ų6694.7 Ų94.731%0.30851%0.508SS..PPolyproline II helixtrans-62.6139.5177.7-63.9-174.4-17800110.3K7 K219 L233K7-E231 WeakPolarHBondContact CD-OE1 3.45Å; K7-E231 WeakPolarHBondContact CE-OE1 3.4Å; K7-E231 IonicContact NZ-OE1 3.53Å; K7-E231 PolarHBondContact NZ-OE1 3.05Å; K7-E231 IonicContact NZ-OE2 2.75Å; K7-E231 PolarHBondContact NZ-OE2 3.31Å; K219-E231 WeakPolarHBondContact CE-OE1 3.42Å; K219-E231 VanDerWaalsContact NZ-CG 3.32Å; K219-E231 IonicContact NZ-OE1 3.86Å; E231-L233 PolarHBondContact O-N 3.34Å
232P71.4Confident80.3Confident85 Ų8598.8 Ų98.855%0.55253%0.529SS*.PPolyproline II helixtrans-59.5134.4170.125-31.2000108.9V234P232-V234 PolarHBondContact O-N 3.4Å
233L70.8Confident80.4Confident159 Ų159102 Ų10283%0.83255%0.547SS*.SBendtrans-67-15.7-179.3-73.4144.3000112.8E231E231-L233 PolarHBondContact O-N 3.34Å
234V75.6Confident80.8Confident52 Ų52100.6 Ų100.632%0.31555%0.545SS..SBendtrans-119.7128.7-174.6-173.20000107.3P232 Q238 Q239 M242P232-V234 PolarHBondContact O-N 3.4Å; V234-Q238 HydrophobicContact CG1-CB 3.58Å; V234-Q239 HydrophobicContact CG1-CB 4.07Å; V234-M242 HydrophobicContact CG1-CE 4.42Å
235T78.8Confident81.4Confident75 Ų75102.5 Ų102.546%0.4653%0.533SS..  trans-71.3155.8173.862.90000110.5E237 Q238 Q239T235-E237 PolarHBondContact O-N 2.75Å; T235-Q238 CarbonylContact O-C 3.56Å; T235-Q238 WeakPolarHBondContact O-CB 3.41Å; T235-Q238 PolarHBondContact O-N 3.12Å; T235-Q238 WeakPolarHBondContact OG1-CB 3.27Å; T235-Q238 VanDerWaalsContact OG1-CD 3.32Å; T235-Q238 WeakPolarHBondContact OG1-CG 3.48Å; T235-Q238 PolarHBondContact OG1-N 3.05Å; T235-Q238 PolarHBondContact OG1-OE1 3.24Å; T235-Q239 PolarHBondContact O-N 3.22Å
236D77.2Confident82.1Confident113 Ų113100 Ų10060%0.60453%0.528SS*.Hα-helixtrans-56.2-36.8179-64.4-7.6000112.5Q239 K240D236-Q239 PolarHBondContact O-N 3.43Å; D236-K240 WeakPolarHBondContact O-CB 3.26Å; D236-K240 VanDerWaalsContact O-CG 3.28Å; D236-K240 WeakPolarHBondContact O-CG 3.23Å; D236-K240 PolarHBondContact O-N 2.9Å
237E80.8Confident82.7Confident146 Ų146104.1 Ų104.168%0.68253%0.532SS*.Hα-helixtrans-66.3-43.6175.1-77.2-180158.500112.3T235 Q239 K240 Q241T235-E237 PolarHBondContact O-N 2.75Å; E237-Q239 VanDerWaalsContact C-N 3.3Å; E237-Q239 PolarHBondContact O-N 2.75Å; E237-K240 PolarHBondContact O-N 3.2Å; E237-Q241 WeakPolarHBondContact O-CG 3.25Å; E237-Q241 PolarHBondContact O-N 2.89Å
238Q84Confident83.4Confident97 Ų97107.3 Ų107.345%0.45353%0.534SS..Hα-helixtrans-65.5-36.9175.2-73.4170.7-1200111.3V234 T235 Q241 M242V234-Q238 HydrophobicContact CG1-CB 3.58Å; T235-Q238 CarbonylContact O-C 3.56Å; T235-Q238 WeakPolarHBondContact O-CB 3.41Å; T235-Q238 PolarHBondContact O-N 3.12Å; T235-Q238 WeakPolarHBondContact OG1-CB 3.27Å; T235-Q238 VanDerWaalsContact OG1-CD 3.32Å; T235-Q238 WeakPolarHBondContact OG1-CG 3.48Å; T235-Q238 PolarHBondContact OG1-N 3.05Å; T235-Q238 PolarHBondContact OG1-OE1 3.24Å; Q238-Q241 PolarHBondContact O-N 3.45Å; Q238-M242 VanDerWaalsContact O-CB 3.27Å; Q238-M242 WeakPolarHBondContact O-CB 3.47Å; Q238-M242 PolarHBondContact O-N 3.32Å
239Q84Confident83.9Confident105 Ų105113.5 Ų113.549%0.49156%0.555SS.*Hα-helixtrans-64.9-42.7175.5-171.3179.85.700111V234 T235 D236 E237 M242 M243V234-Q239 HydrophobicContact CG1-CB 4.07Å; T235-Q239 PolarHBondContact O-N 3.22Å; D236-Q239 PolarHBondContact O-N 3.43Å; E237-Q239 VanDerWaalsContact C-N 3.3Å; E237-Q239 PolarHBondContact O-N 2.75Å; Q239-M242 PolarHBondContact O-N 3.04Å; Q239-M243 WeakPolarHBondContact O-CB 3.28Å; Q239-M243 PolarHBondContact O-N 2.89Å
240K88.4Confident84.5Confident138 Ų138116.1 Ų116.160%0.655%0.554SS**Hα-helixtrans-61.5-45.5173.2-74.7171.9-175.3176.40111.6D236 E237 M242 M243 L244D236-K240 WeakPolarHBondContact O-CB 3.26Å; D236-K240 VanDerWaalsContact O-CG 3.28Å; D236-K240 WeakPolarHBondContact O-CG 3.23Å; D236-K240 PolarHBondContact O-N 2.9Å; E237-K240 PolarHBondContact O-N 3.2Å; K240-M242 VanDerWaalsContact C-N 3.35Å; K240-M242 PolarHBondContact O-N 3.09Å; K240-M243 PolarHBondContact O-N 3Å; K240-L244 WeakPolarHBondContact O-CB 3.25Å; K240-L244 VanDerWaalsContact O-CG 3.28Å; K240-L244 WeakPolarHBondContact O-CG 3.43Å; K240-L244 PolarHBondContact O-N 3.22Å
241Q89.6Confident85.3Confident132 Ų132109.8 Ų109.862%0.61753%0.533SS*.Hα-helixtrans-62.9-41.7176.8-73.8178.1-2.300112E237 Q238 L244 H245E237-Q241 WeakPolarHBondContact O-CG 3.25Å; E237-Q241 PolarHBondContact O-N 2.89Å; Q238-Q241 PolarHBondContact O-N 3.45Å; Q241-L244 PolarHBondContact O-N 3.42Å; Q241-H245 VanDerWaalsContact O-CB 3.32Å; Q241-H245 WeakPolarHBondContact O-CB 3.21Å; Q241-H245 PolarHBondContact O-N 3.48Å
242M88.8Confident86.2Confident110 Ų110112.2 Ų112.254%0.54255%0.545SS..Hα-helixtrans-64-42.6176-170.2-175.2-61.800110.9V234 Q238 Q239 K240 H245 S246V234-M242 HydrophobicContact CG1-CE 4.42Å; Q238-M242 VanDerWaalsContact O-CB 3.27Å; Q238-M242 WeakPolarHBondContact O-CB 3.47Å; Q238-M242 PolarHBondContact O-N 3.32Å; Q239-M242 PolarHBondContact O-N 3.04Å; K240-M242 VanDerWaalsContact C-N 3.35Å; K240-M242 PolarHBondContact O-N 3.09Å; M242-H245 PolarHBondContact O-N 2.96Å; M242-S246 WeakPolarHBondContact O-CB 3.37Å; M242-S246 PolarHBondContact O-N 3.37Å; M242-S246 PolarHBondContact O-OG 3.46Å
243M89.9Confident87Confident128 Ų128112.3 Ų112.363%0.63154%0.54SS*.Hα-helixtrans-63.2-44.8175.8-172.8-175.4-66.300111.6Q239 K240 S246 Y247Q239-M243 WeakPolarHBondContact O-CB 3.28Å; Q239-M243 PolarHBondContact O-N 2.89Å; K240-M243 PolarHBondContact O-N 3Å; M243-S246 PolarHBondContact O-N 2.83Å; M243-Y247 WeakPolarHBondContact O-CB 3.3Å; M243-Y247 PolarHBondContact O-N 3.44Å
244L92.7Very high88Confident107 Ų107110.9 Ų110.956%0.5653%0.527SS*.Hα-helixtrans-61.8-42.7175.4-74.9170.5000112.1K240 Q241 Y247 K248K240-L244 WeakPolarHBondContact O-CB 3.25Å; K240-L244 VanDerWaalsContact O-CG 3.28Å; K240-L244 WeakPolarHBondContact O-CG 3.43Å; K240-L244 PolarHBondContact O-N 3.22Å; Q241-L244 PolarHBondContact O-N 3.42Å; L244-Y247 PolarHBondContact O-N 3.04Å; L244-K248 WeakPolarHBondContact O-CG 3.46Å; L244-K248 PolarHBondContact O-N 2.98Å
245H92.3Very high88.6Confident117 Ų117115 Ų11554%0.54254%0.541SS..Hα-helixtrans-65-44.3177179.2-88.4000111.2Q241 M242 Y247 K248 R249Q241-H245 VanDerWaalsContact O-CB 3.32Å; Q241-H245 WeakPolarHBondContact O-CB 3.21Å; Q241-H245 PolarHBondContact O-N 3.48Å; M242-H245 PolarHBondContact O-N 2.96Å; H245-Y247 VanDerWaalsContact C-N 3.33Å; H245-Y247 PolarHBondContact O-N 3.36Å; H245-K248 PolarHBondContact O-N 3.39Å; H245-R249 WeakPolarHBondContact O-CB 3.5Å; H245-R249 PolarHBondContact O-N 2.98Å
246S91.8Very high88.7Confident56 Ų56117.2 Ų117.239%0.39255%0.549SS..Hα-helixtrans-60.9-41.4174.8-64.60000112M242 M243 R249 Q250M242-S246 WeakPolarHBondContact O-CB 3.37Å; M242-S246 PolarHBondContact O-N 3.37Å; M242-S246 PolarHBondContact O-OG 3.46Å; M243-S246 PolarHBondContact O-N 2.83Å; S246-R249 PolarHBondContact O-N 3.37Å; S246-Q250 WeakPolarHBondContact O-CB 3.49Å; S246-Q250 WeakPolarHBondContact O-CG 3.2Å; S246-Q250 PolarHBondContact O-N 2.91Å
247Y93.1Very high88.9Confident128 Ų128118.1 Ų118.150%0.50255%0.554SS.*Hα-helixtrans-64.5-48.3176.6-179.4-95000112M243 L244 H245 R249 Q250 E251M243-Y247 WeakPolarHBondContact O-CB 3.3Å; M243-Y247 PolarHBondContact O-N 3.44Å; L244-Y247 PolarHBondContact O-N 3.04Å; H245-Y247 VanDerWaalsContact C-N 3.33Å; H245-Y247 PolarHBondContact O-N 3.36Å; Y247-R249 VanDerWaalsContact C-N 3.32Å; Y247-R249 PolarHBondContact O-N 2.83Å; Y247-Q250 WeakPolarHBondContact O-CB 3.05Å; Y247-Q250 PolarHBondContact O-N 2.87Å; Y247-Q250 VanDerWaalsContact O-N 3.14Å; Y247-E251 HydrophobicContact CD1-CG 4.36Å; Y247-E251 HydrophobicContact CE1-CG 3.84Å; Y247-E251 WeakPolarHBondContact CE1-OE1 3.28Å; Y247-E251 PolarHBondContact O-N 3.45Å; Y247-E251 PolarHBondContact OH-OE1 2.56Å
248K94.3Very high88.8Confident130 Ų130117 Ų11757%0.56555%0.549SS*.Hα-helixtrans-57.8-44.7174.8-75.8-179.7179.2-176.80111.9L244 H245 Q250 E251 E252L244-K248 WeakPolarHBondContact O-CG 3.46Å; L244-K248 PolarHBondContact O-N 2.98Å; H245-K248 PolarHBondContact O-N 3.39Å; K248-Q250 VanDerWaalsContact C-N 3.31Å; K248-Q250 PolarHBondContact O-N 3.33Å; K248-E251 PolarHBondContact O-N 2.85Å; K248-E252 WeakPolarHBondContact O-CB 3.34Å; K248-E252 WeakPolarHBondContact O-CG 3.5Å; K248-E252 PolarHBondContact O-N 3.05Å
249R93.9Very high88.2Confident151 Ų151115.4 Ų115.457%0.5755%0.552SS**Hα-helixtrans-63-38.5177.3-171.9177-178.6120.6-0.7111.9H245 S246 Y247 E252 L253H245-R249 WeakPolarHBondContact O-CB 3.5Å; H245-R249 PolarHBondContact O-N 2.98Å; S246-R249 PolarHBondContact O-N 3.37Å; Y247-R249 VanDerWaalsContact C-N 3.32Å; Y247-R249 PolarHBondContact O-N 2.83Å; R249-E252 PolarHBondContact O-N 3.26Å; R249-L253 HydrophobicContact CG-CD1 4.23Å; R249-L253 WeakPolarHBondContact O-CB 3.49Å; R249-L253 VanDerWaalsContact O-CG 3.25Å; R249-L253 WeakPolarHBondContact O-CG 3.48Å; R249-L253 PolarHBondContact O-N 3.49Å
250Q92.1Very high87.1Confident130 Ų130116.6 Ų116.661%0.60756%0.562SS**Hα-helixtrans-65.2-42.6174.1-78.4176.1-7.300111.9S246 Y247 K248 L253 K254S246-Q250 WeakPolarHBondContact O-CB 3.49Å; S246-Q250 WeakPolarHBondContact O-CG 3.2Å; S246-Q250 PolarHBondContact O-N 2.91Å; Y247-Q250 WeakPolarHBondContact O-CB 3.05Å; Y247-Q250 PolarHBondContact O-N 2.87Å; Y247-Q250 VanDerWaalsContact O-N 3.14Å; K248-Q250 VanDerWaalsContact C-N 3.31Å; K248-Q250 PolarHBondContact O-N 3.33Å; Q250-L253 PolarHBondContact O-N 3.45Å; Q250-K254 VanDerWaalsContact O-CB 3.31Å; Q250-K254 WeakPolarHBondContact O-CB 3.44Å; Q250-K254 PolarHBondContact O-N 2.67Å
251E91.2Very high85.6Confident80 Ų80117 Ų11737%0.37457%0.571SS.*Hα-helixtrans-64-41.3174.7-73.6-167.4157.700112.3Y247 K248 K254 K255Y247-E251 HydrophobicContact CD1-CG 4.36Å; Y247-E251 HydrophobicContact CE1-CG 3.84Å; Y247-E251 WeakPolarHBondContact CE1-OE1 3.28Å; Y247-E251 PolarHBondContact O-N 3.45Å; Y247-E251 PolarHBondContact OH-OE1 2.56Å; K248-E251 PolarHBondContact O-N 2.85Å; E251-K254 PolarHBondContact O-N 3.04Å; E251-K255 WeakPolarHBondContact O-CB 3.25Å; E251-K255 WeakPolarHBondContact O-CG 3.49Å; E251-K255 PolarHBondContact O-N 2.95Å
252E89.8Confident84.1Confident118 Ų118115.8 Ų115.855%0.55157%0.568SS**Hα-helixtrans-63.1-45.3175.7-75.4173.2-178.200111.7K248 R249 K254 K255 L256K248-E252 WeakPolarHBondContact O-CB 3.34Å; K248-E252 WeakPolarHBondContact O-CG 3.5Å; K248-E252 PolarHBondContact O-N 3.05Å; R249-E252 PolarHBondContact O-N 3.26Å; E252-K254 VanDerWaalsContact C-N 3.35Å; E252-K255 PolarHBondContact O-N 3.38Å; E252-L256 PolarHBondContact O-N 3.25Å
253L89.1Confident82.8Confident86 Ų86115 Ų11545%0.4557%0.574SS.*Hα-helixtrans-62.5-43.1175.3-75.1169.9000111.3R249 Q250 K255 L256 D257R249-L253 HydrophobicContact CG-CD1 4.23Å; R249-L253 WeakPolarHBondContact O-CB 3.49Å; R249-L253 VanDerWaalsContact O-CG 3.25Å; R249-L253 WeakPolarHBondContact O-CG 3.48Å; R249-L253 PolarHBondContact O-N 3.49Å; Q250-L253 PolarHBondContact O-N 3.45Å; L253-K255 VanDerWaalsContact C-N 3.33Å; L253-K255 PolarHBondContact O-N 2.91Å; L253-L256 WeakPolarHBondContact O-CB 3.34Å; L253-L256 PolarHBondContact O-N 2.92Å; L253-L256 VanDerWaalsContact O-N 3.17Å; L253-D257 PolarHBondContact O-N 2.96Å
254K90.5Very high81.4Confident129 Ų129115.2 Ų115.256%0.56157%0.568SS**Hα-helixtrans-62.5-40.6176.5-166.1-175-175.9-145.80111.9Q250 E251 E252 L256 D257 E258Q250-K254 VanDerWaalsContact O-CB 3.31Å; Q250-K254 WeakPolarHBondContact O-CB 3.44Å; Q250-K254 PolarHBondContact O-N 2.67Å; E251-K254 PolarHBondContact O-N 3.04Å; E252-K254 VanDerWaalsContact C-N 3.35Å; K254-L256 VanDerWaalsContact C-N 3.34Å; K254-D257 PolarHBondContact O-N 2.91Å; K254-E258 WeakPolarHBondContact CE-OE1 3.32Å; K254-E258 IonicContact NZ-OE1 2.69Å; K254-E258 PolarHBondContact NZ-OE1 3.24Å; K254-E258 WeakPolarHBondContact O-CB 3.34Å; K254-E258 VanDerWaalsContact O-CG 3.3Å; K254-E258 WeakPolarHBondContact O-CG 3.37Å; K254-E258 PolarHBondContact O-N 3.21Å
255K87.7Confident80Confident139 Ų139115.2 Ų115.260%0.60457%0.568SS**Hα-helixtrans-65.2-36.5174.1-77.4175.4-177.6172.50112.7E251 E252 L253 A259E251-K255 WeakPolarHBondContact O-CB 3.25Å; E251-K255 WeakPolarHBondContact O-CG 3.49Å; E251-K255 PolarHBondContact O-N 2.95Å; E252-K255 PolarHBondContact O-N 3.38Å; L253-K255 VanDerWaalsContact C-N 3.33Å; L253-K255 PolarHBondContact O-N 2.91Å; K255-A259 VanDerWaalsContact O-CB 3.29Å; K255-A259 WeakPolarHBondContact O-CB 3.2Å; K255-A259 PolarHBondContact O-N 3.38Å
256L81.9Confident78.5Confident121 Ų121117 Ų11763%0.63458%0.582SS**Hα-helixtrans-66.6-41.7173.7-82.1163.5000111.4E252 L253 K254 A259E252-L256 PolarHBondContact O-N 3.25Å; L253-L256 WeakPolarHBondContact O-CB 3.34Å; L253-L256 PolarHBondContact O-N 2.92Å; L253-L256 VanDerWaalsContact O-N 3.17Å; K254-L256 VanDerWaalsContact C-N 3.34Å; L256-A259 PolarHBondContact O-N 3.4Å
257D80.6Confident77.4Confident133 Ų133115.8 Ų115.871%0.71157%0.574SS**Hα-helixtrans-68.4-35.8176.7-70-17.3000112.2L253 K254 A259L253-D257 PolarHBondContact O-N 2.96Å; K254-D257 PolarHBondContact O-N 2.91Å; D257-A259 VanDerWaalsContact C-N 3.34Å
258E79.5Confident76.1Confident123 Ų123118.1 Ų118.158%0.57559%0.589SS**Hα-helixtrans-75.9-20.1175.1-74173.4-172.900112.7K254 D260K254-E258 WeakPolarHBondContact CE-OE1 3.32Å; K254-E258 IonicContact NZ-OE1 2.69Å; K254-E258 PolarHBondContact NZ-OE1 3.24Å; K254-E258 WeakPolarHBondContact O-CB 3.34Å; K254-E258 VanDerWaalsContact O-CG 3.3Å; K254-E258 WeakPolarHBondContact O-CG 3.37Å; K254-E258 PolarHBondContact O-N 3.21Å; E258-D260 VanDerWaalsContact C-N 3.33Å; E258-D260 PolarHBondContact O-N 3.27Å
259A70.6Confident74.8Confident62 Ų62122.3 Ų122.351%0.51260%0.602SS.*SBendtrans-77.884.4173.800000109.3K255 L256 D257 D261K255-A259 VanDerWaalsContact O-CB 3.29Å; K255-A259 WeakPolarHBondContact O-CB 3.2Å; K255-A259 PolarHBondContact O-N 3.38Å; L256-A259 PolarHBondContact O-N 3.4Å; D257-A259 VanDerWaalsContact C-N 3.34Å; A259-D261 PolarHBondContact O-N 3.25Å
260D60.8Low73.6Confident130 Ų130117 Ų11770%0.69559%0.588SS**  trans-51.4129.6171-91.5-36.2000110.4E258 D262 S263E258-D260 VanDerWaalsContact C-N 3.33Å; E258-D260 PolarHBondContact O-N 3.27Å; D260-D262 PolarHBondContact O-N 2.96Å; D260-S263 PolarHBondContact O-N 3.34Å
261D57.8Low72.6Confident148 Ų148113.8 Ų113.879%0.79157%0.574SS**G310 helixtrans-61.1-2.1-175.4-154.512000113.5A259 S263A259-D261 PolarHBondContact O-N 3.25Å; D261-S263 VanDerWaalsContact C-N 3.32Å; D261-S263 PolarHBondContact O-N 3.38Å
262D58.4Low71.7Confident106 Ų106122 Ų12257%0.56760%0.602SS**G310 helixtrans-80.2-7.5176.8-75-14.5000113.3D260 Y264 L265D260-D262 PolarHBondContact O-N 2.96Å; D262-Y264 PolarHBondContact O-N 3.03Å; D262-Y264 VanDerWaalsContact O-N 3.15Å; D262-L265 HydrophobicContact CB-CD1 3.91Å; D262-L265 HydrophobicContact CB-CG 4.5Å; D262-L265 WeakPolarHBondContact O-CA 3.21Å; D262-L265 VanDerWaalsContact O-CB 3.24Å; D262-L265 WeakPolarHBondContact O-CB 3.22Å; D262-L265 PolarHBondContact O-N 2.98Å; D262-L265 VanDerWaalsContact OD1-CD1 3.25Å; D262-L265 WeakPolarHBondContact OD1-CD1 3.29Å
263S61.4Low71Confident94 Ų94121.6 Ų121.666%0.65760%0.6SS**G310 helixtrans-59.6-25.8174.668.40000113.5D260 D261 L265D260-S263 PolarHBondContact O-N 3.34Å; D261-S263 VanDerWaalsContact C-N 3.32Å; D261-S263 PolarHBondContact O-N 3.38Å; S263-L265 VanDerWaalsContact C-N 3.35Å
264Y60.8Low70.3Confident131 Ų131119.4 Ų119.451%0.51460%0.595SS.*G310 helixtrans-73.7-23172179.8-100.4000112.9D262 D266 S267 W269 S270D262-Y264 PolarHBondContact O-N 3.03Å; D262-Y264 VanDerWaalsContact O-N 3.15Å; Y264-D266 VanDerWaalsContact C-N 3.26Å; Y264-D266 PolarHBondContact O-N 3.09Å; Y264-S267 VanDerWaalsContact O-CB 3.3Å; Y264-S267 WeakPolarHBondContact O-CB 3.46Å; Y264-S267 PolarHBondContact O-N 2.79Å; Y264-S267 PolarHBondContact O-OG 3.39Å; Y264-W269 AromaticContact CZ-CD1 3.9Å; Y264-W269 PolarHBondContact OH-NE1 3.41Å; Y264-S270 WeakPolarHBondContact O-CB 3.47Å
265L62.3Low69.4Low107 Ų107118.9 Ų118.956%0.5660%0.597SS**THydrogen-bonded Turntrans-67.1-27.4175.2-65.7173.7000112.3D262 S263 S270D262-L265 HydrophobicContact CB-CD1 3.91Å; D262-L265 HydrophobicContact CB-CG 4.5Å; D262-L265 WeakPolarHBondContact O-CA 3.21Å; D262-L265 VanDerWaalsContact O-CB 3.24Å; D262-L265 WeakPolarHBondContact O-CB 3.22Å; D262-L265 PolarHBondContact O-N 2.98Å; D262-L265 VanDerWaalsContact OD1-CD1 3.25Å; D262-L265 WeakPolarHBondContact OD1-CD1 3.29Å; S263-L265 VanDerWaalsContact C-N 3.35Å; L265-S270 PolarHBondContact O-OG 2.94Å
266D61.6Low68.8Low154 Ų154118.6 Ų118.682%0.82460%0.596SS**THydrogen-bonded Turntrans-87.9-0.3175.2-74.4-28.1000113.8Y264Y264-D266 VanDerWaalsContact C-N 3.26Å; Y264-D266 PolarHBondContact O-N 3.09Å
267S69.1Low68.5Low32 Ų32117.6 Ų117.622%0.22458%0.584CS.*SBendtrans-68144.1178.672.40000112.1Y264 W269 S270Y264-S267 VanDerWaalsContact O-CB 3.3Å; Y264-S267 WeakPolarHBondContact O-CB 3.46Å; Y264-S267 PolarHBondContact O-N 2.79Å; Y264-S267 PolarHBondContact O-OG 3.39Å; S267-W269 PolarHBondContact O-N 3.49Å; S267-S270 PolarHBondContact O-N 3.23Å; S267-S270 PolarHBondContact O-OG 2.78Å; S267-S270 PolarHBondContact OG-N 3.21Å
268E65.3Low68.3Low177 Ų177117.8 Ų117.883%0.82758%0.58SS**THydrogen-bonded Turntrans-58.8-24.3176.3-73.3-167152.600113N271E268-N271 WeakPolarHBondContact O-CB 3.37Å; E268-N271 PolarHBondContact O-N 2.73Å
269W67.3Low68.1Low218 Ų218120.4 Ų120.483%0.82659%0.59SS**THydrogen-bonded Turntrans-72.7-32177.1178.1-85.7000113.5Y264 S267 N271Y264-W269 AromaticContact CZ-CD1 3.9Å; Y264-W269 PolarHBondContact OH-NE1 3.41Å; S267-W269 PolarHBondContact O-N 3.49Å; W269-N271 PolarHBondContact O-N 2.76Å
270S68.4Low68.6Low40 Ų40122.9 Ų122.928%0.2859%0.591SS.*THydrogen-bonded Turntrans-74-15.7176.974.80000112.5Y264 L265 S267 R272Y264-S270 WeakPolarHBondContact O-CB 3.47Å; L265-S270 PolarHBondContact O-OG 2.94Å; S267-S270 PolarHBondContact O-N 3.23Å; S267-S270 PolarHBondContact O-OG 2.78Å; S267-S270 PolarHBondContact OG-N 3.21Å; S270-R272 PolarHBondContact O-N 2.85Å
271N71.1Confident69.1Low61 Ų61119.6 Ų119.633%0.32659%0.588SS.*  trans-75.196.8-175.4-172.9-11.2000111.7E268 W269 Q273 A274E268-N271 WeakPolarHBondContact O-CB 3.37Å; E268-N271 PolarHBondContact O-N 2.73Å; W269-N271 PolarHBondContact O-N 2.76Å; N271-Q273 PolarHBondContact O-N 2.96Å; N271-Q273 PolarHBondContact OD1-N 3.21Å; N271-A274 HydrophobicContact CB-CB 4.19Å; N271-A274 VanDerWaalsContact O-CB 3.28Å; N271-A274 WeakPolarHBondContact O-CB 3.42Å; N271-A274 PolarHBondContact O-N 3.46Å
272R72.8Confident69.8Low253 Ų253116 Ų11696%0.95557%0.569SS**THydrogen-bonded Turntrans-56.2-15.7178.2-57.2-175.7-162-172.74.9114.5S270S270-R272 PolarHBondContact O-N 2.85Å
273Q73.1Confident70.1Confident110 Ų110115.7 Ų115.751%0.51457%0.57SS.*THydrogen-bonded Turntrans-101.6-2.9179.6-60.2-174.7-6.700113.8N271 L275 K276 R277N271-Q273 PolarHBondContact O-N 2.96Å; N271-Q273 PolarHBondContact OD1-N 3.21Å; Q273-L275 PolarHBondContact O-N 3.17Å; Q273-K276 PolarHBondContact O-N 3.38Å; Q273-K276 VanDerWaalsContact O-N 3.17Å; Q273-R277 WeakPolarHBondContact O-CG 3.43Å; Q273-R277 PolarHBondContact O-N 3.39Å
274A74.9Confident70.2Confident40 Ų40118.7 Ų118.733%0.33158%0.579SS.*Hα-helixtrans-56.2-48.6-176.100000112.4N271 K276 R277 Q278N271-A274 HydrophobicContact CB-CB 4.19Å; N271-A274 VanDerWaalsContact O-CB 3.28Å; N271-A274 WeakPolarHBondContact O-CB 3.42Å; N271-A274 PolarHBondContact O-N 3.46Å; A274-K276 VanDerWaalsContact C-N 3.33Å; A274-K276 PolarHBondContact O-N 3.11Å; A274-R277 PolarHBondContact O-N 3.43Å; A274-Q278 PolarHBondContact O-N 2.86Å
275L72.1Confident70.4Confident118 Ų118116.6 Ų116.662%0.61858%0.576SS**Hα-helixtrans-63.5-37.4179.3-124.2152.4000112.3Q273 Q278 F279Q273-L275 PolarHBondContact O-N 3.17Å; L275-Q278 PolarHBondContact O-N 3.07Å; L275-F279 HydrophobicContact CD2-CD2 3.96Å; L275-F279 HydrophobicContact CD2-CE2 3.92Å; L275-F279 PolarHBondContact O-N 3.43Å; L275-F279 VanDerWaalsContact O-N 3.07Å
276K75.3Confident70.3Confident132 Ų132121.3 Ų121.357%0.57459%0.592SS**Hα-helixtrans-67-42175.7-174.7177.4177.41800111.6Q273 A274 Q278 F279 Q280Q273-K276 PolarHBondContact O-N 3.38Å; Q273-K276 VanDerWaalsContact O-N 3.17Å; A274-K276 VanDerWaalsContact C-N 3.33Å; A274-K276 PolarHBondContact O-N 3.11Å; K276-Q278 VanDerWaalsContact C-N 3.34Å; K276-F279 PolarHBondContact O-N 3.07Å; K276-Q280 WeakPolarHBondContact O-CB 3.47Å; K276-Q280 VanDerWaalsContact O-CG 3.3Å; K276-Q280 WeakPolarHBondContact O-CG 3.3Å; K276-Q280 PolarHBondContact O-N 2.97Å; K276-Q280 VanDerWaalsContact O-N 3.07Å
277R75.1Confident70.3Confident101 Ų101125.2 Ų125.238%0.38160%0.595SS.*Hα-helixtrans-65.2-37.7176.2-69.6179.9-174.4-174.52.7111.8Q273 A274 Q280 G281 L282Q273-R277 WeakPolarHBondContact O-CG 3.43Å; Q273-R277 PolarHBondContact O-N 3.39Å; A274-R277 PolarHBondContact O-N 3.43Å; R277-Q280 PolarHBondContact O-N 3.36Å; R277-G281 PolarHBondContact O-N 3.4Å; R277-G281 VanDerWaalsContact O-N 3.13Å; R277-L282 HydrophobicContact CB-CB 4.45Å; R277-L282 PolarHBondContact O-N 3.25Å
278Q76.8Confident69.9Low136 Ų136126.6 Ų126.664%0.63661%0.614SS**Hα-helixtrans-63.3-46.5175.5-169.5179-0.900111.7A274 L275 K276 Q280 G281A274-Q278 PolarHBondContact O-N 2.86Å; L275-Q278 PolarHBondContact O-N 3.07Å; K276-Q278 VanDerWaalsContact C-N 3.34Å; Q278-Q280 VanDerWaalsContact C-N 3.29Å; Q278-Q280 PolarHBondContact O-N 3.44Å; Q278-G281 PolarHBondContact O-N 2.93Å
279F76.3Confident69.4Low179 Ų179124.6 Ų124.679%0.78562%0.617SS**Hα-helixtrans-66-29.1176.8-98.4-79.7000113.9L275 K276L275-F279 HydrophobicContact CD2-CD2 3.96Å; L275-F279 HydrophobicContact CD2-CE2 3.92Å; L275-F279 PolarHBondContact O-N 3.43Å; L275-F279 VanDerWaalsContact O-N 3.07Å; K276-F279 PolarHBondContact O-N 3.07Å
280Q79Confident68.4Low113 Ų113129.6 Ų129.653%0.52864%0.635SS.*THydrogen-bonded Turntrans-890.4178.7-67.7179.6-19.300113.3K276 R277 Q278 L282K276-Q280 WeakPolarHBondContact O-CB 3.47Å; K276-Q280 VanDerWaalsContact O-CG 3.3Å; K276-Q280 WeakPolarHBondContact O-CG 3.3Å; K276-Q280 PolarHBondContact O-N 2.97Å; K276-Q280 VanDerWaalsContact O-N 3.07Å; R277-Q280 PolarHBondContact O-N 3.36Å; Q278-Q280 VanDerWaalsContact C-N 3.29Å; Q278-Q280 PolarHBondContact O-N 3.44Å; Q280-L282 VanDerWaalsContact C-N 3.28Å; Q280-L282 HydrophobicContact CB-CD1 3.85Å; Q280-L282 HydrophobicContact CB-CG 4.11Å; Q280-L282 PolarHBondContact O-N 3.13Å
281G73.2Confident68.4Low61 Ų61134.1 Ų134.163%0.62965%0.653SS**THydrogen-bonded Turntrans70.518.818000000114.6R277 Q278 T283R277-G281 PolarHBondContact O-N 3.4Å; R277-G281 VanDerWaalsContact O-N 3.13Å; Q278-G281 PolarHBondContact O-N 2.93Å; G281-T283 PolarHBondContact O-N 3.37Å
282L71.1Confident68.3Low74 Ų74137.9 Ų137.939%0.38767%0.67SS.*  trans-95.428.3-173.6-63.7167.3000113R277 Q280 N284 I285R277-L282 HydrophobicContact CB-CB 4.45Å; R277-L282 PolarHBondContact O-N 3.25Å; Q280-L282 VanDerWaalsContact C-N 3.28Å; Q280-L282 HydrophobicContact CB-CD1 3.85Å; Q280-L282 HydrophobicContact CB-CG 4.11Å; Q280-L282 PolarHBondContact O-N 3.13Å; L282-N284 VanDerWaalsContact C-N 3.3Å; L282-N284 PolarHBondContact O-N 3.39Å; L282-I285 HydrophobicContact CD2-CD1 3.6Å
283T65.7Low68Low98 Ų98131.6 Ų131.660%0.60166%0.655SS**THydrogen-bonded Turntrans-70.2-21.5-173.651.10000114.2G281G281-T283 PolarHBondContact O-N 3.37Å
284N63.4Low67.7Low157 Ų157132.8 Ų132.884%0.8466%0.663SS**THydrogen-bonded Turntrans-100.913.6-174.2-74.7-14000114.8L282L282-N284 VanDerWaalsContact C-N 3.3Å; L282-N284 PolarHBondContact O-N 3.39Å
285I65Low67.3Low87 Ų87138.6 Ų138.645%0.44668%0.684SS.*  trans-110.2101.5-176.4-49.3-178.4000109.8L282 W287L282-I285 HydrophobicContact CD2-CD1 3.6Å; I285-W287 VanDerWaalsContact CG2-NE1 3.35Å
286K60.2Low67Low207 Ų207140 Ų14090%0.969%0.688SS**  trans-84.6118.7167.4-80-172.9174.7-174.90109.2
287W61.5Low66.4Low236 Ų236140.6 Ų140.689%0.89470%0.696SS**  trans-95.6108170.1-79.382.7000108.7I285I285-W287 VanDerWaalsContact CG2-NE1 3.35Å
288G61.4Low65.7Low60 Ų60143.6 Ų143.662%0.61972%0.72SS**SBendtrans162.1151.7178.600000111
289P54.3Low64.8Low136 Ų136144.3 Ų144.388%0.88373%0.728SS**  trans-66.3146.6177.229.2-32.7000110.7
290R46.4Very low63.8Low323 Ų323141.1 Ų141.1100%1.21972%0.722SS**  trans-68.40176.6-79.4-173.8177.5177.9-0.4111.9

Retrieved 290 of 290 residues in 50 ms (Link to these results)

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