A0A3Q0KMG7_SCHMA Loading...

Aromatic-L-amino-acid decarboxylase

AlphaFold DB , UniProt , Accession A0A3Q0KMG7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 532 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
1M87.4Confident94.4Very high166 Ų166104.5 Ų104.582%0.81851%0.507SS*.  0124.40-69.9-168.7-66.100108.9D5 W53M1-D5 WeakPolarHBondContact CA-OD2 3.41Å; M1-D5 HydrophobicContact CB-CB 3.98Å; M1-D5 HydrophobicContact CG-CB 4.12Å; M1-W53 HydrophobicContact CE-CE3 4.18Å; M1-W53 HydrophobicContact CE-CZ3 4.11Å; M1-W53 HydrophobicContact SD-CE3 3.51Å; M1-W53 VanDerWaalsContact SD-CE3 3.51Å; M1-W53 HydrophobicContact SD-CZ3 3.84Å
2D92.6Very high94.6Very high96 Ų96102.6 Ų102.651%0.51350%0.497SS..  trans-108-165.9173.866.418.5000111.5H4 D5 F6D2-H4 VanDerWaalsContact C-N 3.31Å; D2-H4 PolarHBondContact O-N 3.16Å; D2-H4 WeakPolarHBondContact OD1-CA 3.36Å; D2-H4 WeakPolarHBondContact OD1-CB 3.43Å; D2-H4 PolarHBondContact OD1-N 3.06Å; D2-D5 PolarHBondContact N-OD2 3.18Å; D2-D5 PolarHBondContact O-N 3.24Å; D2-D5 PolarHBondContact OD1-N 3.2Å; D2-F6 WeakPolarHBondContact O-CB 3.4Å; D2-F6 PolarHBondContact O-N 3.07Å
3S93.3Very high94.7Very high94 Ų9499 Ų9966%0.65748%0.48SS*.Hα-helixtrans-66.1-29.2177.553.70000114N7S3-N7 PolarHBondContact O-N 3.28Å; S3-N7 VanDerWaalsContact O-N 3.16Å; S3-N7 PolarHBondContact O-ND2 3.25Å
4H94.3Very high94.9Very high135 Ų13597.3 Ų97.363%0.62547%0.473SS*.Hα-helixtrans-71.4-48.3177.1-17979.3000109.8D2 F6 N7 Y8D2-H4 VanDerWaalsContact C-N 3.31Å; D2-H4 PolarHBondContact O-N 3.16Å; D2-H4 WeakPolarHBondContact OD1-CA 3.36Å; D2-H4 WeakPolarHBondContact OD1-CB 3.43Å; D2-H4 PolarHBondContact OD1-N 3.06Å; H4-F6 VanDerWaalsContact C-N 3.3Å; H4-F6 PolarHBondContact O-N 2.99Å; H4-N7 PolarHBondContact O-N 2.97Å; H4-Y8 PolarHBondContact O-N 3.01Å
5D94.3Very high95Very high52 Ų5298 Ų9828%0.27848%0.48SS..Hα-helixtrans-55.9-45.6173.3-70.6-36.8000111.2M1 D2 N7 Y8 W9M1-D5 WeakPolarHBondContact CA-OD2 3.41Å; M1-D5 HydrophobicContact CB-CB 3.98Å; M1-D5 HydrophobicContact CG-CB 4.12Å; D2-D5 PolarHBondContact N-OD2 3.18Å; D2-D5 PolarHBondContact O-N 3.24Å; D2-D5 PolarHBondContact OD1-N 3.2Å; D5-N7 VanDerWaalsContact C-N 3.35Å; D5-N7 PolarHBondContact O-N 3.22Å; D5-Y8 PolarHBondContact O-N 3.27Å; D5-W9 WeakPolarHBondContact O-CB 3.43Å; D5-W9 PolarHBondContact O-N 3.14Å
6F94.6Very high95.1Very high143 Ų14394.3 Ų94.363%0.62746%0.461SS*.Hα-helixtrans-58.6-44.5178.7177.5-100.8000112.3D2 H4 G10D2-F6 WeakPolarHBondContact O-CB 3.4Å; D2-F6 PolarHBondContact O-N 3.07Å; H4-F6 VanDerWaalsContact C-N 3.3Å; H4-F6 PolarHBondContact O-N 2.99Å; F6-G10 WeakPolarHBondContact O-CA 3.16Å; F6-G10 PolarHBondContact O-N 3.26Å
7N96.1Very high95.2Very high90 Ų9091.7 Ų91.748%0.48145%0.449SS..Hα-helixtrans-66.3-42.4178.8-77.5-39.7000112.2S3 H4 D5 R11S3-N7 PolarHBondContact O-N 3.28Å; S3-N7 VanDerWaalsContact O-N 3.16Å; S3-N7 PolarHBondContact O-ND2 3.25Å; H4-N7 PolarHBondContact O-N 2.97Å; D5-N7 VanDerWaalsContact C-N 3.35Å; D5-N7 PolarHBondContact O-N 3.22Å; N7-R11 VanDerWaalsContact O-CG 3.29Å; N7-R11 WeakPolarHBondContact O-CG 3.32Å; N7-R11 PolarHBondContact O-N 3.32Å
8Y97Very high95.3Very high128 Ų12889.8 Ų89.850%0.50245%0.446SS..Hα-helixtrans-68.1-56.3-179.1179.8-104.1000111.5H4 D5 G10 R11 Q12H4-Y8 PolarHBondContact O-N 3.01Å; D5-Y8 PolarHBondContact O-N 3.27Å; Y8-G10 PolarHBondContact O-N 2.8Å; Y8-R11 PolarHBondContact O-N 2.75Å; Y8-Q12 PolarHBondContact O-N 3.26Å; Y8-Q12 PolarHBondContact OH-NE2 3.23Å
9W96.5Very high95.4Very high45 Ų4589.6 Ų89.617%0.1745%0.447CS..Hα-helixtrans-70.9-31.3-178.9-63.8121.2000112.9D5 Q12 M13 W53D5-W9 WeakPolarHBondContact O-CB 3.43Å; D5-W9 PolarHBondContact O-N 3.14Å; W9-Q12 VanDerWaalsContact CE3-NE2 3.34Å; W9-Q12 PolarHBondContact O-N 3.07Å; W9-M13 WeakPolarHBondContact O-CB 3.49Å; W9-M13 PolarHBondContact O-N 3.06Å; W9-W53 HydrophobicContact CB-CD2 3.92Å; W9-W53 HydrophobicContact CB-CE3 4.34Å; W9-W53 HydrophobicContact CB-CG 4.36Å; W9-W53 HydrophobicContact CB-CH2 4.29Å; W9-W53 HydrophobicContact CB-CZ2 3.88Å; W9-W53 HydrophobicContact CD2-CB 3.95Å; W9-W53 AromaticContact CD2-CD1 3.25Å; W9-W53 AromaticContact CD2-CD2 3.97Å; W9-W53 HydrophobicContact CD2-CD2 3.97Å; W9-W53 AromaticContact CD2-CG 3.44Å; W9-W53 HydrophobicContact CD2-CG 3.44Å; W9-W53 VanDerWaalsContact CD2-CG 3.44Å; W9-W53 AromaticContact CD2-NE1 3.63Å; W9-W53 AromaticContact CE2-CD1 3.75Å; W9-W53 AromaticContact CE2-CG 3.68Å; W9-W53 HydrophobicContact CE3-CB 4.49Å; W9-W53 AromaticContact CE3-CD1 3.03Å; W9-W53 HydrophobicContact CE3-CD2 4.37Å; W9-W53 AromaticContact CE3-CG 3.75Å; W9-W53 HydrophobicContact CE3-CG 3.75Å; W9-W53 AromaticContact CE3-NE1 3.25Å; W9-W53 VanDerWaalsContact CE3-NE1 3.25Å; W9-W53 HydrophobicContact CG-CB 4.31Å; W9-W53 AromaticContact CG-CD1 3.89Å; W9-W53 AromaticContact CG-CD2 3.77Å; W9-W53 HydrophobicContact CG-CD2 3.77Å; W9-W53 AromaticContact CG-CE2 3.92Å; W9-W53 HydrophobicContact CG-CE3 4.37Å; W9-W53 AromaticContact CG-CG 3.73Å; W9-W53 HydrophobicContact CG-CG 3.73Å; W9-W53 AromaticContact CG-NE1 3.98Å; W9-W53 HydrophobicContact CH2-CB 4.38Å; W9-W53 AromaticContact CH2-CD1 3.8Å; W9-W53 HydrophobicContact CH2-CG 4.37Å; W9-W53 HydrophobicContact CZ2-CB 3.87Å; W9-W53 HydrophobicContact CZ2-CG 4.15Å; W9-W53 AromaticContact CZ3-CD1 3.32Å; W9-W53 HydrophobicContact CZ3-CG 4.19Å; W9-W53 AromaticContact CZ3-NE1 3.87Å
10G95.9Very high95.5Very high23 Ų2386.9 Ų86.924%0.23743%0.431CS..Hα-helixtrans-61.3-42.5174.100000112.5F6 Y8 M13 I14F6-G10 WeakPolarHBondContact O-CA 3.16Å; F6-G10 PolarHBondContact O-N 3.26Å; Y8-G10 PolarHBondContact O-N 2.8Å; G10-M13 PolarHBondContact O-N 3.28Å; G10-I14 WeakPolarHBondContact O-CG1 3.33Å; G10-I14 PolarHBondContact O-N 3.16Å
11R96.6Very high95.5Very high177 Ų17785.3 Ų85.367%0.66842%0.424SS*.Hα-helixtrans-63.2-46.7174.1-73.2173.8-170.9-81-0.8111.6N7 Y8 M13 I14 D15N7-R11 VanDerWaalsContact O-CG 3.29Å; N7-R11 WeakPolarHBondContact O-CG 3.32Å; N7-R11 PolarHBondContact O-N 3.32Å; Y8-R11 PolarHBondContact O-N 2.75Å; R11-M13 VanDerWaalsContact C-N 3.28Å; R11-M13 PolarHBondContact O-N 2.66Å; R11-I14 PolarHBondContact O-N 3.18Å; R11-I14 VanDerWaalsContact O-N 3.14Å; R11-D15 PolarHBondContact O-N 3.1Å
12Q96.3Very high95.8Very high82 Ų8283.9 Ų83.938%0.38342%0.415SS..Hα-helixtrans-62-35.8177.3-67.4-153.571.400112.9Y8 W9 D15 F16Y8-Q12 PolarHBondContact O-N 3.26Å; Y8-Q12 PolarHBondContact OH-NE2 3.23Å; W9-Q12 VanDerWaalsContact CE3-NE2 3.34Å; W9-Q12 PolarHBondContact O-N 3.07Å; Q12-D15 PolarHBondContact O-N 3.05Å; Q12-F16 VanDerWaalsContact O-CB 3.27Å; Q12-F16 WeakPolarHBondContact O-CB 3.5Å; Q12-F16 PolarHBondContact O-N 3.29Å
13M96.7Very high96Very high56 Ų5680.4 Ų80.428%0.27640%0.398SS..Hα-helixtrans-65.1-42.4174.6-178.160.668.500111.5W9 G10 R11 F16 I17 W53 F57W9-M13 WeakPolarHBondContact O-CB 3.49Å; W9-M13 PolarHBondContact O-N 3.06Å; G10-M13 PolarHBondContact O-N 3.28Å; R11-M13 VanDerWaalsContact C-N 3.28Å; R11-M13 PolarHBondContact O-N 2.66Å; M13-F16 PolarHBondContact O-N 3.48Å; M13-F16 HydrophobicContact SD-CD1 4.29Å; M13-I17 HydrophobicContact CG-CD1 3.86Å; M13-I17 HydrophobicContact CG-CG1 4.45Å; M13-I17 VanDerWaalsContact O-CG1 3.26Å; M13-I17 WeakPolarHBondContact O-CG1 3.23Å; M13-I17 PolarHBondContact O-N 2.91Å; M13-I17 HydrophobicContact SD-CD1 4.06Å; M13-I17 HydrophobicContact SD-CG1 4.17Å; M13-W53 HydrophobicContact CE-CH2 4.12Å; M13-W53 HydrophobicContact CE-CZ2 3.7Å; M13-F57 HydrophobicContact CE-CD2 4.09Å; M13-F57 HydrophobicContact CE-CE2 3.56Å; M13-F57 HydrophobicContact CE-CZ 4.48Å; M13-F57 HydrophobicContact SD-CE2 4.18Å
14I97.1Very high96.1Very high75 Ų7576.1 Ų76.139%0.38537%0.367SS..Hα-helixtrans-61.2-47.9175.5-68.8166.7000110.5G10 R11 F16 I17 S18 M93G10-I14 WeakPolarHBondContact O-CG1 3.33Å; G10-I14 PolarHBondContact O-N 3.16Å; R11-I14 PolarHBondContact O-N 3.18Å; R11-I14 VanDerWaalsContact O-N 3.14Å; I14-F16 VanDerWaalsContact C-N 3.3Å; I14-F16 PolarHBondContact O-N 3.04Å; I14-I17 PolarHBondContact O-N 3.03Å; I14-S18 WeakPolarHBondContact O-CB 3.35Å; I14-S18 PolarHBondContact O-N 3.08Å; I14-M93 HydrophobicContact CD1-CE 4.15Å; I14-M93 HydrophobicContact CG1-CE 4.13Å
15D97Very high96.1Very high108 Ų10875.1 Ų75.158%0.57836%0.363SS*.Hα-helixtrans-60.7-42.5178.4-68.8-23.9000111.2R11 Q12 S18 N19R11-D15 PolarHBondContact O-N 3.1Å; Q12-D15 PolarHBondContact O-N 3.05Å; D15-S18 PolarHBondContact O-N 3.26Å; D15-N19 WeakPolarHBondContact O-CB 3.27Å; D15-N19 PolarHBondContact O-N 3.34Å
16F96.4Very high96.1Very high39 Ų3979.9 Ų79.917%0.17138%0.381CS..Hα-helixtrans-62.9-48.1176.1171.2-96.7000112.6Q12 M13 I14 S18 N19 Y20 F57 L65Q12-F16 VanDerWaalsContact O-CB 3.27Å; Q12-F16 WeakPolarHBondContact O-CB 3.5Å; Q12-F16 PolarHBondContact O-N 3.29Å; M13-F16 PolarHBondContact O-N 3.48Å; M13-F16 HydrophobicContact SD-CD1 4.29Å; I14-F16 VanDerWaalsContact C-N 3.3Å; I14-F16 PolarHBondContact O-N 3.04Å; F16-S18 VanDerWaalsContact C-N 3.31Å; F16-S18 PolarHBondContact O-N 2.86Å; F16-N19 PolarHBondContact O-N 3.4Å; F16-Y20 VanDerWaalsContact O-CB 3.31Å; F16-Y20 WeakPolarHBondContact O-CB 3.39Å; F16-Y20 PolarHBondContact O-N 3.42Å; F16-F57 HydrophobicContact CB-CE1 4.48Å; F16-F57 HydrophobicContact CB-CZ 3.87Å; F16-F57 HydrophobicContact CD1-CE2 4.2Å; F16-F57 AromaticContact CD1-CZ 3.67Å; F16-F57 HydrophobicContact CD1-CZ 3.67Å; F16-F57 HydrophobicContact CD2-CE1 4Å; F16-F57 AromaticContact CD2-CZ 3.61Å; F16-F57 HydrophobicContact CD2-CZ 3.61Å; F16-F57 HydrophobicContact CE1-CE2 4.45Å; F16-F57 HydrophobicContact CE1-CZ 4.12Å; F16-F57 HydrophobicContact CE2-CE1 4.49Å; F16-F57 HydrophobicContact CE2-CZ 4.06Å; F16-F57 HydrophobicContact CG-CE1 4.17Å; F16-F57 HydrophobicContact CG-CE2 4.37Å; F16-F57 AromaticContact CG-CZ 3.42Å; F16-F57 HydrophobicContact CG-CZ 3.42Å; F16-F57 VanDerWaalsContact CG-CZ 3.42Å; F16-F57 HydrophobicContact CZ-CZ 4.31Å; F16-L65 HydrophobicContact CE2-CD1 3.88Å; F16-L65 HydrophobicContact CZ-CD1 3.44Å; F16-L65 VanDerWaalsContact CZ-CD1 3.44Å; F16-L65 HydrophobicContact CZ-CD2 4.08Å; F16-L65 HydrophobicContact CZ-CG 4.33Å
17I96.8Very high96Very high50 Ų5076.1 Ų76.126%0.25636%0.363SS..Hα-helixtrans-60.5-44.5179.1-70.4165.6000109.9M13 I14 Y20 L21M13-I17 HydrophobicContact CG-CD1 3.86Å; M13-I17 HydrophobicContact CG-CG1 4.45Å; M13-I17 VanDerWaalsContact O-CG1 3.26Å; M13-I17 WeakPolarHBondContact O-CG1 3.23Å; M13-I17 PolarHBondContact O-N 2.91Å; M13-I17 HydrophobicContact SD-CD1 4.06Å; M13-I17 HydrophobicContact SD-CG1 4.17Å; I14-I17 PolarHBondContact O-N 3.03Å; I17-Y20 PolarHBondContact O-N 3.17Å; I17-L21 HydrophobicContact CG2-CD1 4.04Å; I17-L21 HydrophobicContact CG2-CG 4.46Å; I17-L21 WeakPolarHBondContact O-CG 3.38Å; I17-L21 PolarHBondContact O-N 3.35Å
18S96.7Very high95.9Very high57 Ų5774.7 Ų74.740%0.39936%0.358SS..Hα-helixtrans-57.8-50.5176.6-176.60000111.4I14 D15 F16 L21 Q22I14-S18 WeakPolarHBondContact O-CB 3.35Å; I14-S18 PolarHBondContact O-N 3.08Å; D15-S18 PolarHBondContact O-N 3.26Å; F16-S18 VanDerWaalsContact C-N 3.31Å; F16-S18 PolarHBondContact O-N 2.86Å; S18-L21 PolarHBondContact O-N 3.48Å; S18-Q22 WeakPolarHBondContact O-CG 3.2Å; S18-Q22 PolarHBondContact O-N 3.38Å; S18-Q22 VanDerWaalsContact O-N 3.13Å; S18-Q22 PolarHBondContact OG-NE2 3.03Å
19N97Very high95.9Very high86 Ų8668.6 Ų68.646%0.4634%0.335SS..Hα-helixtrans-62.9-45.2177.4179.869.9000112D15 F16 L21 Q22 T23D15-N19 WeakPolarHBondContact O-CB 3.27Å; D15-N19 PolarHBondContact O-N 3.34Å; F16-N19 PolarHBondContact O-N 3.4Å; N19-L21 PolarHBondContact O-N 2.94Å; N19-Q22 PolarHBondContact O-N 3.38Å; N19-Q22 VanDerWaalsContact O-N 3.16Å; N19-T23 PolarHBondContact O-N 3.34Å; N19-T23 PolarHBondContact O-OG1 3.47Å
20Y96.6Very high95.9Very high36 Ų3667.7 Ų67.714%0.14133%0.333CS..Hα-helixtrans-55.4-48.2177.7166.5-105.8000111.7F16 I17 Q22 T23 I24 Y27 H70F16-Y20 VanDerWaalsContact O-CB 3.31Å; F16-Y20 WeakPolarHBondContact O-CB 3.39Å; F16-Y20 PolarHBondContact O-N 3.42Å; I17-Y20 PolarHBondContact O-N 3.17Å; Y20-Q22 VanDerWaalsContact C-N 3.34Å; Y20-Q22 PolarHBondContact O-N 3.39Å; Y20-T23 CarbonylContact O-C 3.54Å; Y20-T23 PolarHBondContact O-N 2.92Å; Y20-I24 HydrophobicContact CE1-CD1 4.14Å; Y20-I24 HydrophobicContact CE2-CD1 4.27Å; Y20-I24 HydrophobicContact CE2-CG1 4.15Å; Y20-I24 WeakPolarHBondContact O-CA 3.17Å; Y20-I24 WeakPolarHBondContact O-CB 3.29Å; Y20-I24 PolarHBondContact O-N 3.13Å; Y20-I24 WeakPolarHBondContact OH-CD1 3.27Å; Y20-Y27 HydrophobicContact CD2-CE2 4.01Å; Y20-Y27 HydrophobicContact CE2-CD2 4.38Å; Y20-Y27 HydrophobicContact CE2-CE2 4.21Å; Y20-H70 AromaticContact CE2-CE1 3.82Å; Y20-H70 AromaticContact CE2-ND1 3.66Å; Y20-H70 AromaticContact CZ-ND1 3.72Å; Y20-H70 PolarHBondContact OH-ND1 3.26Å
21L95.6Very high95.9Very high54 Ų5468 Ų6828%0.28333%0.331SS..Hα-helixtrans-65.3-36.1179.1-68.2174.6000112.4I17 S18 N19 I89I17-L21 HydrophobicContact CG2-CD1 4.04Å; I17-L21 HydrophobicContact CG2-CG 4.46Å; I17-L21 WeakPolarHBondContact O-CG 3.38Å; I17-L21 PolarHBondContact O-N 3.35Å; S18-L21 PolarHBondContact O-N 3.48Å; N19-L21 PolarHBondContact O-N 2.94Å; L21-I89 HydrophobicContact CD1-CD1 4.17Å
22Q95.5Very high95.8Very high135 Ų13565.5 Ų65.563%0.63133%0.331SS*.Hα-helixtrans-73.6-34.2177.9-69.6177.32400113S18 N19 Y20 H25S18-Q22 WeakPolarHBondContact O-CG 3.2Å; S18-Q22 PolarHBondContact O-N 3.38Å; S18-Q22 VanDerWaalsContact O-N 3.13Å; S18-Q22 PolarHBondContact OG-NE2 3.03Å; N19-Q22 PolarHBondContact O-N 3.38Å; N19-Q22 VanDerWaalsContact O-N 3.16Å; Y20-Q22 VanDerWaalsContact C-N 3.34Å; Y20-Q22 PolarHBondContact O-N 3.39Å; Q22-H25 PolarHBondContact O-CE1 2.81Å; Q22-H25 PolarHBondContact O-ND1 3.33Å
23T96.1Very high95.8Very high23 Ų2364.1 Ų64.114%0.14133%0.328CS..SBendtrans-106.915.4-176.168.70000113.6N19 Y20 H25 K26N19-T23 PolarHBondContact O-N 3.34Å; N19-T23 PolarHBondContact O-OG1 3.47Å; Y20-T23 CarbonylContact O-C 3.54Å; Y20-T23 PolarHBondContact O-N 2.92Å; T23-H25 PolarHBondContact O-N 3.19Å; T23-H25 VanDerWaalsContact O-N 3.13Å; T23-K26 WeakPolarHBondContact O-CB 3.45Å; T23-K26 WeakPolarHBondContact O-CG 3.48Å; T23-K26 PolarHBondContact O-N 3.26Å
24I96Very high95.7Very high4 Ų468.5 Ų68.52%0.02135%0.348CS..G310 helixtrans-58.1-31.2-175.5-164.1167.1000112.3Y20 K26 Y27 H70 Q72 H73Y20-I24 HydrophobicContact CE1-CD1 4.14Å; Y20-I24 HydrophobicContact CE2-CD1 4.27Å; Y20-I24 HydrophobicContact CE2-CG1 4.15Å; Y20-I24 WeakPolarHBondContact O-CA 3.17Å; Y20-I24 WeakPolarHBondContact O-CB 3.29Å; Y20-I24 PolarHBondContact O-N 3.13Å; Y20-I24 WeakPolarHBondContact OH-CD1 3.27Å; I24-K26 PolarHBondContact O-N 2.96Å; I24-Y27 PolarHBondContact O-N 3.5Å; I24-H70 HydrophobicContact CD1-CB 4.11Å; I24-H70 HydrophobicContact CG1-CB 4.22Å; I24-Q72 HydrophobicContact CD1-CB 3.76Å; I24-H73 PolarHBondContact O-CD2 3.23Å; I24-H73 VanDerWaalsContact O-CD2 3.28Å
25H93.9Very high95.7Very high115 Ų11571 Ų7153%0.53237%0.369SS..G310 helixtrans-62.3-11.4176.964.9-92.5000114.4Q22 T23 H73Q22-H25 PolarHBondContact O-CE1 2.81Å; Q22-H25 PolarHBondContact O-ND1 3.33Å; T23-H25 PolarHBondContact O-N 3.19Å; T23-H25 VanDerWaalsContact O-N 3.13Å; H25-H73 WeakPolarHBondContact CA-NE2 3.26Å
26K93.8Very high95.7Very high152 Ų15268.2 Ų68.266%0.66137%0.365SS*.G310 helixtrans-81.9-16.9174.3-60.6-174.8-176.5174.20112.7T23 I24T23-K26 WeakPolarHBondContact O-CB 3.45Å; T23-K26 WeakPolarHBondContact O-CG 3.48Å; T23-K26 PolarHBondContact O-N 3.26Å; I24-K26 PolarHBondContact O-N 2.96Å
27Y93.6Very high95.6Very high64 Ų6469.7 Ų69.725%0.25137%0.37SS..SBendtrans-89.8148.1174.2-63.9-82.6000110.2Y20 I24 L65 H70 H73Y20-Y27 HydrophobicContact CD2-CE2 4.01Å; Y20-Y27 HydrophobicContact CE2-CD2 4.38Å; Y20-Y27 HydrophobicContact CE2-CE2 4.21Å; I24-Y27 PolarHBondContact O-N 3.5Å; Y27-L65 HydrophobicContact CE1-CB 4.48Å; Y27-H70 WeakPolarHBondContact CB-NE2 3.25Å; Y27-H70 AromaticContact CD1-NE2 3.95Å; Y27-H70 AromaticContact CG-CE1 3.77Å; Y27-H70 AromaticContact CG-NE2 3.69Å; Y27-H73 PolarHBondContact O-NE2 3.38Å
28P93.5Very high95.6Very high59 Ų5969.5 Ų69.538%0.38337%0.37SS..  trans-64.4142.9167.530.9-35000109.3L30 H70P28-L30 WeakPolarHBondContact CB-O 3.48Å; P28-L30 PolarHBondContact O-N 2.86Å; P28-H70 PolarHBondContact O-CD2 3.39Å
29V96.7Very high95.5Very high1 Ų175 Ų751%0.00639%0.386CS..SBendtrans-64.2-32-179.560.20000112.5T69 H70 H73 F76 R430 H433V29-T69 WeakPolarHBondContact O-CA 3.43Å; V29-H70 PolarHBondContact O-N 2.93Å; V29-H73 HydrophobicContact CB-CB 4.38Å; V29-H73 HydrophobicContact CG2-CB 4.08Å; V29-F76 HydrophobicContact CG2-CB 3.78Å; V29-F76 HydrophobicContact CG2-CD2 3.95Å; V29-F76 HydrophobicContact CG2-CG 4.37Å; V29-R430 WeakPolarHBondContact CG1-O 3.44Å; V29-H433 HydrophobicContact CG1-CB 3.99Å; V29-H433 HydrophobicContact CG2-CB 3.85Å
30L97.1Very high95.2Very high26 Ų2678.6 Ų78.614%0.13640%0.4CS..SBendtrans-113.4140.9174.3-74.8173.9000110.5P28 T69 N427 R430 H433P28-L30 WeakPolarHBondContact CB-O 3.48Å; P28-L30 PolarHBondContact O-N 2.86Å; L30-T69 HydrophobicContact CD2-CG2 3.95Å; L30-N427 HydrophobicContact CD1-CB 4.24Å; L30-R430 HydrophobicContact CB-CB 4.27Å; L30-R430 HydrophobicContact CB-CG 4.04Å; L30-H433 HydrophobicContact CD1-CB 4.3Å; L30-H433 HydrophobicContact CD2-CB 4.47Å; L30-H433 HydrophobicContact CG-CB 4.09Å
31P95.7Very high95.1Very high28 Ų2880.5 Ų80.518%0.18241%0.412CS..  trans-75.2161.3179.533.7-37.2000112.3V33 S67 T69P31-V33 HydrophobicContact CB-CG2 4.01Å; P31-V33 HydrophobicContact CG-CG2 4.05Å; P31-S67 WeakPolarHBondContact CB-O 3.45Å; P31-T69 WeakPolarHBondContact CD-OG1 3.48Å
32N94.4Very high95Very high126 Ų12682 Ų8267%0.67442%0.419SS*.  trans-10162.3173.3-165.626.7000112.2R430N32-R430 PolarHBondContact ND2-NH1 3.11Å; N32-R430 PolarHBondContact OD1-NH1 3.02Å
33V94.8Very high94.9Very high52 Ų5280.2 Ų80.232%0.31542%0.42SS..  trans-137151.2-174.7-60.80000111.7P31 Y37P31-V33 HydrophobicContact CB-CG2 4.01Å; P31-V33 HydrophobicContact CG-CG2 4.05Å; V33-Y37 HydrophobicContact CB-CD1 3.65Å; V33-Y37 HydrophobicContact CB-CD2 4.19Å; V33-Y37 HydrophobicContact CB-CE1 4.1Å; V33-Y37 HydrophobicContact CB-CG 3.72Å; V33-Y37 HydrophobicContact CG1-CD1 4.19Å; V33-Y37 HydrophobicContact CG1-CD2 3.85Å; V33-Y37 HydrophobicContact CG1-CE1 4.43Å; V33-Y37 HydrophobicContact CG1-CE2 4.11Å; V33-Y37 HydrophobicContact CG1-CG 3.91Å; V33-Y37 HydrophobicContact CG2-CD1 3.74Å; V33-Y37 HydrophobicContact CG2-CE1 3.76Å; V33-Y37 HydrophobicContact CG2-CG 4.3Å
34E95.4Very high94.9Very high149 Ų14986.3 Ų86.370%0.69645%0.451SS*.  trans-102.4157.3174.8-66.9-60.3151.300111.1G36 Y37E34-G36 PolarHBondContact O-N 3.19Å; E34-Y37 WeakPolarHBondContact O-CB 3.24Å; E34-Y37 WeakPolarHBondContact O-CD1 3.14Å; E34-Y37 PolarHBondContact O-N 3.25Å; E34-Y37 VanDerWaalsContact O-N 3.13Å
35P97.3Very high94.8Very high128 Ų12892.6 Ų92.683%0.83148%0.481SS*.THydrogen-bonded Turntrans-51.1127.8176.2-2835.9000112.6
36G96Very high94.9Very high49 Ų4991.9 Ų91.951%0.50549%0.486SS..THydrogen-bonded Turntrans90.3-1.9179.700000115.9E34 L38 K39E34-G36 PolarHBondContact O-N 3.19Å; G36-L38 PolarHBondContact O-N 3.38Å; G36-L38 VanDerWaalsContact O-N 3.07Å; G36-K39 VanDerWaalsContact O-CB 3.25Å; G36-K39 WeakPolarHBondContact O-CB 3.07Å; G36-K39 PolarHBondContact O-N 2.88Å
37Y95.4Very high95.1Very high70 Ų7089.2 Ų89.228%0.27549%0.485SS..G310 helixtrans-48-41.1-178.278.2-79.8000113.9V33 E34 K39 L41 S67V33-Y37 HydrophobicContact CB-CD1 3.65Å; V33-Y37 HydrophobicContact CB-CD2 4.19Å; V33-Y37 HydrophobicContact CB-CE1 4.1Å; V33-Y37 HydrophobicContact CB-CG 3.72Å; V33-Y37 HydrophobicContact CG1-CD1 4.19Å; V33-Y37 HydrophobicContact CG1-CD2 3.85Å; V33-Y37 HydrophobicContact CG1-CE1 4.43Å; V33-Y37 HydrophobicContact CG1-CE2 4.11Å; V33-Y37 HydrophobicContact CG1-CG 3.91Å; V33-Y37 HydrophobicContact CG2-CD1 3.74Å; V33-Y37 HydrophobicContact CG2-CE1 3.76Å; V33-Y37 HydrophobicContact CG2-CG 4.3Å; E34-Y37 WeakPolarHBondContact O-CB 3.24Å; E34-Y37 WeakPolarHBondContact O-CD1 3.14Å; E34-Y37 PolarHBondContact O-N 3.25Å; E34-Y37 VanDerWaalsContact O-N 3.13Å; Y37-K39 VanDerWaalsContact C-N 3.28Å; Y37-K39 PolarHBondContact O-N 3.41Å; Y37-L41 HydrophobicContact CD2-CD1 4.07Å; Y37-L41 HydrophobicContact CE2-CD1 4.49Å; Y37-S67 VanDerWaalsContact CE2-OG 3.31Å; Y37-S67 WeakPolarHBondContact CE2-OG 3.47Å; Y37-S67 VanDerWaalsContact CZ-CB 3.41Å; Y37-S67 WeakPolarHBondContact OH-CB 3.29Å
38L95.8Very high95.2Very high46 Ų4694.7 Ų94.724%0.24151%0.513CS..G310 helixtrans-69.9-24.6-174.2-162.666.2000113G36 H40 L41 I42 F63 I64G36-L38 PolarHBondContact O-N 3.38Å; G36-L38 VanDerWaalsContact O-N 3.07Å; L38-H40 PolarHBondContact O-N 2.94Å; L38-H40 VanDerWaalsContact O-N 3.13Å; L38-L41 HydrophobicContact CD1-CB 4.48Å; L38-L41 PolarHBondContact O-N 3.33Å; L38-I42 HydrophobicContact CD1-CD1 3.9Å; L38-I42 HydrophobicContact CD1-CG1 4.1Å; L38-I42 HydrophobicContact CD2-CD1 3.64Å; L38-I42 HydrophobicContact CG-CD1 3.53Å; L38-I42 HydrophobicContact CG-CG1 3.95Å; L38-I42 PolarHBondContact O-N 3.39Å; L38-F63 HydrophobicContact CD1-CB 3.96Å; L38-I64 HydrophobicContact CD1-CD1 4.14Å; L38-I64 HydrophobicContact CD2-CD1 4.09Å
39K95.5Very high95.4Very high171 Ų17199.4 Ų99.474%0.74353%0.53SS*.G310 helixtrans-58.1-28.9-179-175.7179.9177.4-178.60112.6G36 Y37G36-K39 VanDerWaalsContact O-CB 3.25Å; G36-K39 WeakPolarHBondContact O-CB 3.07Å; G36-K39 PolarHBondContact O-N 2.88Å; Y37-K39 VanDerWaalsContact C-N 3.28Å; Y37-K39 PolarHBondContact O-N 3.41Å
40H91.7Very high95.3Very high163 Ų163105 Ų10576%0.75557%0.569SS**G310 helixtrans-93.6-4.9-179.1-57.3-66.7000113.3L38L38-H40 PolarHBondContact O-N 2.94Å; L38-H40 VanDerWaalsContact O-N 3.13Å
41L93.5Very high95.1Very high76 Ų76107.4 Ų107.440%0.39858%0.582SS.*THydrogen-bonded Turntrans-107.7-20.3-176-58.8176.9000112.7Y37 L38 F63Y37-L41 HydrophobicContact CD2-CD1 4.07Å; Y37-L41 HydrophobicContact CE2-CD1 4.49Å; L38-L41 HydrophobicContact CD1-CB 4.48Å; L38-L41 PolarHBondContact O-N 3.33Å; L41-F63 HydrophobicContact CB-CD1 4.07Å; L41-F63 HydrophobicContact CB-CD2 4.48Å; L41-F63 HydrophobicContact CB-CE1 4.1Å; L41-F63 HydrophobicContact CB-CG 4.24Å; L41-F63 HydrophobicContact CB-CZ 4.33Å; L41-F63 HydrophobicContact CD1-CD1 3.75Å; L41-F63 HydrophobicContact CD1-CE1 4.23Å; L41-F63 HydrophobicContact CD1-CG 4.34Å; L41-F63 HydrophobicContact CD2-CD1 4.4Å; L41-F63 HydrophobicContact CD2-CE1 4.03Å; L41-F63 HydrophobicContact CG-CD1 4.29Å; L41-F63 HydrophobicContact CG-CE1 4.34Å
42I93.3Very high95.1Very high84 Ų84109.5 Ų109.543%0.43159%0.594SS.*SBendtrans-109141.6179-60.2-173.8000109.2L38L38-I42 HydrophobicContact CD1-CD1 3.9Å; L38-I42 HydrophobicContact CD1-CG1 4.1Å; L38-I42 HydrophobicContact CD2-CD1 3.64Å; L38-I42 HydrophobicContact CG-CD1 3.53Å; L38-I42 HydrophobicContact CG-CG1 3.95Å; L38-I42 PolarHBondContact O-N 3.39Å
43P93.4Very high95.1Very high99 Ų99106.7 Ų106.764%0.64357%0.574SS**  trans-50.2141.8170.4-27.936.1000112.5Q45P43-Q45 PolarHBondContact O-N 3Å
44N95.2Very high95.2Very high150 Ų150107.4 Ų107.480%0.80258%0.578SS**SBendtrans-76.7-3.7-18065.6-13.5000113.8
45Q95.9Very high95.2Very high137 Ų137104 Ų10464%0.6457%0.565SS**SBendtrans-135.2149.5176.9-64-63.4-14.900109.2P43P43-Q45 PolarHBondContact O-N 3Å
46P95.9Very high95.1Very high99 Ų99102 Ų10264%0.64355%0.546SS*.  trans-62.9154.9170.729.1-34.8000110.9
47P96.1Very high95.1Very high97 Ų97101 Ų10163%0.6353%0.528SS*.  trans-73.8136.6177.233.1-36.2000110.9Q49P47-Q49 VanDerWaalsContact C-N 3.28Å; P47-Q49 WeakPolarHBondContact CB-O 3.39Å
48E97.2Very high95.1Very high179 Ų179101.2 Ų101.284%0.83653%0.534SS*.SBendtrans-71.1-25.3174.5-70.4-65.3160.200112.7
49Q96.1Very high95.2Very high158 Ų158102 Ų10274%0.73854%0.539SS*.SBendtrans-116.4153.8178.2-62.2-59.7-48.500109.8P47 D51P47-Q49 VanDerWaalsContact C-N 3.28Å; P47-Q49 WeakPolarHBondContact CB-O 3.39Å; Q49-D51 PolarHBondContact O-N 2.96Å
50S94.7Very high95.2Very high118 Ų11896 Ų9683%0.82552%0.517SS*.PPolyproline II helixtrans-59.4133.7177.457.70000111.2
51D94.7Very high95.4Very high77 Ų7792.9 Ų92.941%0.41250%0.501SS..PPolyproline II helixtrans-82.1167.5168-156.1-5.1000111Q49 N55 I56Q49-D51 PolarHBondContact O-N 2.96Å; D51-N55 VanDerWaalsContact OD1-CB 3.28Å; D51-N55 WeakPolarHBondContact OD1-CB 3.22Å; D51-N55 PolarHBondContact OD1-ND2 3.29Å; D51-I56 HydrophobicContact CB-CD1 4.38Å; D51-I56 HydrophobicContact CB-CG1 4.28Å
52T94.8Very high95.4Very high72 Ų7296 Ų9644%0.44251%0.511SS..PPolyproline II helixtrans-87.9149.1175.872.10000111T54 N55 I56T52-T54 PolarHBondContact O-N 3.16Å; T52-N55 PolarHBondContact O-N 2.77Å; T52-N55 WeakPolarHBondContact OG1-CB 3.2Å; T52-N55 PolarHBondContact OG1-N 2.8Å; T52-N55 PolarHBondContact OG1-ND2 3.43Å; T52-N55 VanDerWaalsContact OG1-ND2 3.17Å; T52-N55 PolarHBondContact OG1-OD1 3.14Å; T52-I56 WeakPolarHBondContact O-CG1 3.35Å; T52-I56 PolarHBondContact O-N 2.85Å; T52-I56 VanDerWaalsContact O-N 3.13Å
53W94.8Very high95.5Very high66 Ų6693.3 Ų93.325%0.2550%0.496CS..Hα-helixtrans-56.4-40.2174.6-179.2-81.7000112.1M1 W9 M13 N55 I56 F57M1-W53 HydrophobicContact CE-CE3 4.18Å; M1-W53 HydrophobicContact CE-CZ3 4.11Å; M1-W53 HydrophobicContact SD-CE3 3.51Å; M1-W53 VanDerWaalsContact SD-CE3 3.51Å; M1-W53 HydrophobicContact SD-CZ3 3.84Å; W9-W53 HydrophobicContact CB-CD2 3.92Å; W9-W53 HydrophobicContact CB-CE3 4.34Å; W9-W53 HydrophobicContact CB-CG 4.36Å; W9-W53 HydrophobicContact CB-CH2 4.29Å; W9-W53 HydrophobicContact CB-CZ2 3.88Å; W9-W53 HydrophobicContact CD2-CB 3.95Å; W9-W53 AromaticContact CD2-CD1 3.25Å; W9-W53 AromaticContact CD2-CD2 3.97Å; W9-W53 HydrophobicContact CD2-CD2 3.97Å; W9-W53 AromaticContact CD2-CG 3.44Å; W9-W53 HydrophobicContact CD2-CG 3.44Å; W9-W53 VanDerWaalsContact CD2-CG 3.44Å; W9-W53 AromaticContact CD2-NE1 3.63Å; W9-W53 AromaticContact CE2-CD1 3.75Å; W9-W53 AromaticContact CE2-CG 3.68Å; W9-W53 HydrophobicContact CE3-CB 4.49Å; W9-W53 AromaticContact CE3-CD1 3.03Å; W9-W53 HydrophobicContact CE3-CD2 4.37Å; W9-W53 AromaticContact CE3-CG 3.75Å; W9-W53 HydrophobicContact CE3-CG 3.75Å; W9-W53 AromaticContact CE3-NE1 3.25Å; W9-W53 VanDerWaalsContact CE3-NE1 3.25Å; W9-W53 HydrophobicContact CG-CB 4.31Å; W9-W53 AromaticContact CG-CD1 3.89Å; W9-W53 AromaticContact CG-CD2 3.77Å; W9-W53 HydrophobicContact CG-CD2 3.77Å; W9-W53 AromaticContact CG-CE2 3.92Å; W9-W53 HydrophobicContact CG-CE3 4.37Å; W9-W53 AromaticContact CG-CG 3.73Å; W9-W53 HydrophobicContact CG-CG 3.73Å; W9-W53 AromaticContact CG-NE1 3.98Å; W9-W53 HydrophobicContact CH2-CB 4.38Å; W9-W53 AromaticContact CH2-CD1 3.8Å; W9-W53 HydrophobicContact CH2-CG 4.37Å; W9-W53 HydrophobicContact CZ2-CB 3.87Å; W9-W53 HydrophobicContact CZ2-CG 4.15Å; W9-W53 AromaticContact CZ3-CD1 3.32Å; W9-W53 HydrophobicContact CZ3-CG 4.19Å; W9-W53 AromaticContact CZ3-NE1 3.87Å; M13-W53 HydrophobicContact CE-CH2 4.12Å; M13-W53 HydrophobicContact CE-CZ2 3.7Å; W53-N55 PolarHBondContact O-N 2.88Å; W53-I56 PolarHBondContact O-N 3.19Å; W53-F57 VanDerWaalsContact O-CB 3.29Å; W53-F57 WeakPolarHBondContact O-CB 3.32Å; W53-F57 PolarHBondContact O-N 3.15Å
54T95.7Very high95.7Very high67 Ų6791.3 Ų91.341%0.41148%0.48SS..Hα-helixtrans-57.5-49.4178.4-52.90000111.3T52 I56 F57 D58T52-T54 PolarHBondContact O-N 3.16Å; T54-I56 PolarHBondContact O-N 2.73Å; T54-F57 PolarHBondContact O-N 2.98Å; T54-D58 WeakPolarHBondContact O-CB 3.27Å; T54-D58 VanDerWaalsContact O-CG 3.27Å; T54-D58 PolarHBondContact O-N 3.3Å
55N95.8Very high95.6Very high77 Ų7784.7 Ų84.741%0.41244%0.444SS..Hα-helixtrans-60.8-47.9178.3-68.2-12.4000111.6D51 T52 W53 F57 D58 D59D51-N55 VanDerWaalsContact OD1-CB 3.28Å; D51-N55 WeakPolarHBondContact OD1-CB 3.22Å; D51-N55 PolarHBondContact OD1-ND2 3.29Å; T52-N55 PolarHBondContact O-N 2.77Å; T52-N55 WeakPolarHBondContact OG1-CB 3.2Å; T52-N55 PolarHBondContact OG1-N 2.8Å; T52-N55 PolarHBondContact OG1-ND2 3.43Å; T52-N55 VanDerWaalsContact OG1-ND2 3.17Å; T52-N55 PolarHBondContact OG1-OD1 3.14Å; W53-N55 PolarHBondContact O-N 2.88Å; N55-F57 VanDerWaalsContact C-N 3.29Å; N55-F57 PolarHBondContact O-N 3.42Å; N55-D58 PolarHBondContact O-N 2.87Å; N55-D59 PolarHBondContact O-N 3.03Å
56I96Very high95.5Very high86 Ų8680.8 Ų80.844%0.44143%0.431SS..Hα-helixtrans-57.5-45.2178-64.8167.1000110.6D51 T52 W53 T54 D59 V60D51-I56 HydrophobicContact CB-CD1 4.38Å; D51-I56 HydrophobicContact CB-CG1 4.28Å; T52-I56 WeakPolarHBondContact O-CG1 3.35Å; T52-I56 PolarHBondContact O-N 2.85Å; T52-I56 VanDerWaalsContact O-N 3.13Å; W53-I56 PolarHBondContact O-N 3.19Å; T54-I56 PolarHBondContact O-N 2.73Å; I56-D59 PolarHBondContact O-N 3.04Å; I56-V60 WeakPolarHBondContact O-CG2 3.3Å; I56-V60 PolarHBondContact O-N 2.75Å
57F95.6Very high95.5Very high28 Ų2877.1 Ų77.112%0.12341%0.407CS..Hα-helixtrans-75.2-31.4-175.9-160.6-113.1000112.9M13 F16 W53 T54 N55 V60 K61M13-F57 HydrophobicContact CE-CD2 4.09Å; M13-F57 HydrophobicContact CE-CE2 3.56Å; M13-F57 HydrophobicContact CE-CZ 4.48Å; M13-F57 HydrophobicContact SD-CE2 4.18Å; F16-F57 HydrophobicContact CB-CE1 4.48Å; F16-F57 HydrophobicContact CB-CZ 3.87Å; F16-F57 HydrophobicContact CD1-CE2 4.2Å; F16-F57 AromaticContact CD1-CZ 3.67Å; F16-F57 HydrophobicContact CD1-CZ 3.67Å; F16-F57 HydrophobicContact CD2-CE1 4Å; F16-F57 AromaticContact CD2-CZ 3.61Å; F16-F57 HydrophobicContact CD2-CZ 3.61Å; F16-F57 HydrophobicContact CE1-CE2 4.45Å; F16-F57 HydrophobicContact CE1-CZ 4.12Å; F16-F57 HydrophobicContact CE2-CE1 4.49Å; F16-F57 HydrophobicContact CE2-CZ 4.06Å; F16-F57 HydrophobicContact CG-CE1 4.17Å; F16-F57 HydrophobicContact CG-CE2 4.37Å; F16-F57 AromaticContact CG-CZ 3.42Å; F16-F57 HydrophobicContact CG-CZ 3.42Å; F16-F57 VanDerWaalsContact CG-CZ 3.42Å; F16-F57 HydrophobicContact CZ-CZ 4.31Å; W53-F57 VanDerWaalsContact O-CB 3.29Å; W53-F57 WeakPolarHBondContact O-CB 3.32Å; W53-F57 PolarHBondContact O-N 3.15Å; T54-F57 PolarHBondContact O-N 2.98Å; N55-F57 VanDerWaalsContact C-N 3.29Å; N55-F57 PolarHBondContact O-N 3.42Å; F57-V60 PolarHBondContact O-N 2.91Å; F57-K61 HydrophobicContact CD1-CD 4.39Å; F57-K61 VanDerWaalsContact CD1-CE 3.43Å; F57-K61 HydrophobicContact CE1-CD 4.44Å; F57-K61 WeakPolarHBondContact O-CG 3.19Å; F57-K61 PolarHBondContact O-N 2.88Å
58D96.2Very high95.6Very high75 Ų7575.6 Ų75.640%0.40139%0.394SS..Hα-helixtrans-66.6-39.6171.2-74.5-16.7000111T54 N55 V60 K61 K62T54-D58 WeakPolarHBondContact O-CB 3.27Å; T54-D58 VanDerWaalsContact O-CG 3.27Å; T54-D58 PolarHBondContact O-N 3.3Å; N55-D58 PolarHBondContact O-N 2.87Å; D58-V60 PolarHBondContact O-N 3.48Å; D58-K61 PolarHBondContact O-N 2.9Å; D58-K61 IonicContact OD1-NZ 3.21Å; D58-K62 WeakPolarHBondContact O-CB 3.37Å; D58-K62 PolarHBondContact O-N 2.87Å
59D96.8Very high95.6Very high63 Ų6369.4 Ų69.434%0.33737%0.368SS..Hα-helixtrans-63.6-39.7172.1-79.4-7.5000112N55 I56 K61 K62 F63N55-D59 PolarHBondContact O-N 3.03Å; I56-D59 PolarHBondContact O-N 3.04Å; D59-K61 PolarHBondContact O-N 3.22Å; D59-K62 PolarHBondContact O-N 3.01Å; D59-F63 HydrophobicContact CB-CD2 3.92Å; D59-F63 HydrophobicContact CB-CE2 4.27Å; D59-F63 WeakPolarHBondContact O-CB 3.45Å; D59-F63 PolarHBondContact O-N 3Å; D59-F63 WeakPolarHBondContact OD1-CE2 3.34Å
60V95.9Very high95.6Very high46 Ų4661.9 Ų61.928%0.27933%0.333SS..Iπ-helixtrans-58.4-48.2172.3168.70000110.7I56 F57 D58 K62 I64 L65I56-V60 WeakPolarHBondContact O-CG2 3.3Å; I56-V60 PolarHBondContact O-N 2.75Å; F57-V60 PolarHBondContact O-N 2.91Å; D58-V60 PolarHBondContact O-N 3.48Å; V60-K62 VanDerWaalsContact C-N 3.33Å; V60-K62 PolarHBondContact O-N 3.37Å; V60-I64 HydrophobicContact CG1-CB 4.45Å; V60-I64 WeakPolarHBondContact O-CA 3.43Å; V60-I64 WeakPolarHBondContact O-CB 3.45Å; V60-I64 PolarHBondContact O-N 3.49Å; V60-I64 VanDerWaalsContact O-N 3.11Å; V60-L65 HydrophobicContact CG1-CG 4.24Å; V60-L65 PolarHBondContact O-N 3.48Å
61K95Very high95.8Very high96 Ų9661.1 Ų61.142%0.41731%0.312SS..Iπ-helixtrans-65.2-37179.2-71.5172.9-172.6160.70113F57 D58 D59 L65 P66F57-K61 HydrophobicContact CD1-CD 4.39Å; F57-K61 VanDerWaalsContact CD1-CE 3.43Å; F57-K61 HydrophobicContact CE1-CD 4.44Å; F57-K61 WeakPolarHBondContact O-CG 3.19Å; F57-K61 PolarHBondContact O-N 2.88Å; D58-K61 PolarHBondContact O-N 2.9Å; D58-K61 IonicContact OD1-NZ 3.21Å; D59-K61 PolarHBondContact O-N 3.22Å; K61-L65 HydrophobicContact CB-CD1 4.38Å; K61-L65 HydrophobicContact CG-CD1 4.11Å; K61-P66 VanDerWaalsContact O-CD 3.3Å; K61-P66 WeakPolarHBondContact O-CD 3.47Å; K61-P66 WeakPolarHBondContact O-CG 3.39Å
62K94.9Very high95.9Very high143 Ų14359 Ų5962%0.62230%0.3SS*.Iπ-helixtrans-83.7-42.2-172.5-171.8-178.8175.1-172.90112.7D58 D59 V60D58-K62 WeakPolarHBondContact O-CB 3.37Å; D58-K62 PolarHBondContact O-N 2.87Å; D59-K62 PolarHBondContact O-N 3.01Å; V60-K62 VanDerWaalsContact C-N 3.33Å; V60-K62 PolarHBondContact O-N 3.37Å
63F95.5Very high96.1Very high26 Ų2656.2 Ų56.211%0.11428%0.281CS..Iπ-helixtrans-113.2-30.3-169-53.7-45.2000113.9L38 L41 D59 S67L38-F63 HydrophobicContact CD1-CB 3.96Å; L41-F63 HydrophobicContact CB-CD1 4.07Å; L41-F63 HydrophobicContact CB-CD2 4.48Å; L41-F63 HydrophobicContact CB-CE1 4.1Å; L41-F63 HydrophobicContact CB-CG 4.24Å; L41-F63 HydrophobicContact CB-CZ 4.33Å; L41-F63 HydrophobicContact CD1-CD1 3.75Å; L41-F63 HydrophobicContact CD1-CE1 4.23Å; L41-F63 HydrophobicContact CD1-CG 4.34Å; L41-F63 HydrophobicContact CD2-CD1 4.4Å; L41-F63 HydrophobicContact CD2-CE1 4.03Å; L41-F63 HydrophobicContact CG-CD1 4.29Å; L41-F63 HydrophobicContact CG-CE1 4.34Å; D59-F63 HydrophobicContact CB-CD2 3.92Å; D59-F63 HydrophobicContact CB-CE2 4.27Å; D59-F63 WeakPolarHBondContact O-CB 3.45Å; D59-F63 PolarHBondContact O-N 3Å; D59-F63 WeakPolarHBondContact OD1-CE2 3.34Å; F63-S67 WeakPolarHBondContact O-CB 3.43Å; F63-S67 PolarHBondContact O-OG 2.84Å
64I96.1Very high96.2Very high58 Ų5853.8 Ų53.830%0.29727%0.274SS..Iπ-helixtrans-92.3-60.2-175.7-53.9-58.7000110.4L38 V60 S67 L68L38-I64 HydrophobicContact CD1-CD1 4.14Å; L38-I64 HydrophobicContact CD2-CD1 4.09Å; V60-I64 HydrophobicContact CG1-CB 4.45Å; V60-I64 WeakPolarHBondContact O-CA 3.43Å; V60-I64 WeakPolarHBondContact O-CB 3.45Å; V60-I64 PolarHBondContact O-N 3.49Å; V60-I64 VanDerWaalsContact O-N 3.11Å; I64-S67 CarbonylContact O-C 3.24Å; I64-S67 WeakPolarHBondContact O-CA 3.36Å; I64-S67 PolarHBondContact O-N 3.45Å; I64-L68 HydrophobicContact CG2-CD2 4.15Å; I64-L68 HydrophobicContact CG2-CG 4.43Å; I64-L68 WeakPolarHBondContact O-CG 3.46Å; I64-L68 PolarHBondContact O-N 2.99Å
65L94.8Very high96.3Very high11 Ų1151.2 Ų51.26%0.05826%0.258CS..G310 helixtrans-54.1-48.9-173.6-66.4175.2000114.2F16 Y27 V60 K61 S67 L68 H70F16-L65 HydrophobicContact CE2-CD1 3.88Å; F16-L65 HydrophobicContact CZ-CD1 3.44Å; F16-L65 VanDerWaalsContact CZ-CD1 3.44Å; F16-L65 HydrophobicContact CZ-CD2 4.08Å; F16-L65 HydrophobicContact CZ-CG 4.33Å; Y27-L65 HydrophobicContact CE1-CB 4.48Å; V60-L65 HydrophobicContact CG1-CG 4.24Å; V60-L65 PolarHBondContact O-N 3.48Å; K61-L65 HydrophobicContact CB-CD1 4.38Å; K61-L65 HydrophobicContact CG-CD1 4.11Å; L65-S67 PolarHBondContact O-N 3.39Å; L65-S67 VanDerWaalsContact O-N 3.12Å; L65-L68 HydrophobicContact CD2-CD1 4.19Å; L65-L68 PolarHBondContact O-N 3.01Å; L65-H70 PolarHBondContact O-CE1 3.49Å; L65-H70 PolarHBondContact O-NE2 3.38Å
66P93.4Very high96.5Very high55 Ų5547.6 Ų47.636%0.35724%0.238SC..G310 helixtrans-69.3-11.3-177.8-17.234.1000113.1K61K61-P66 VanDerWaalsContact O-CD 3.3Å; K61-P66 WeakPolarHBondContact O-CD 3.47Å; K61-P66 WeakPolarHBondContact O-CG 3.39Å
67S95.5Very high96.6Very high21 Ų2143.7 Ų43.715%0.14722%0.218CC..G310 helixtrans-108.87-175.6-55.20000112.8P31 Y37 F63 I64 L65P31-S67 WeakPolarHBondContact CB-O 3.45Å; Y37-S67 VanDerWaalsContact CE2-OG 3.31Å; Y37-S67 WeakPolarHBondContact CE2-OG 3.47Å; Y37-S67 VanDerWaalsContact CZ-CB 3.41Å; Y37-S67 WeakPolarHBondContact OH-CB 3.29Å; F63-S67 WeakPolarHBondContact O-CB 3.43Å; F63-S67 PolarHBondContact O-OG 2.84Å; I64-S67 CarbonylContact O-C 3.24Å; I64-S67 WeakPolarHBondContact O-CA 3.36Å; I64-S67 PolarHBondContact O-N 3.45Å; L65-S67 PolarHBondContact O-N 3.39Å; L65-S67 VanDerWaalsContact O-N 3.12Å
68L97.2Very high96.7Very high66 Ų6642.3 Ų42.335%0.34621%0.212SC..SBendtrans-82.2142.9171.8-64.2178.4000111I64 L65 H70I64-L68 HydrophobicContact CG2-CD2 4.15Å; I64-L68 HydrophobicContact CG2-CG 4.43Å; I64-L68 WeakPolarHBondContact O-CG 3.46Å; I64-L68 PolarHBondContact O-N 2.99Å; L65-L68 HydrophobicContact CD2-CD1 4.19Å; L65-L68 PolarHBondContact O-N 3.01Å; L68-H70 PolarHBondContact O-CD2 2.85Å; L68-H70 VanDerWaalsContact O-CD2 3.25Å
69T97.8Very high96.8Very high48 Ų4844.6 Ų44.629%0.29422%0.216SC..  trans-74.7120151.9-64.60000107.5V29 L30 P31 W71 F76V29-T69 WeakPolarHBondContact O-CA 3.43Å; L30-T69 HydrophobicContact CD2-CG2 3.95Å; P31-T69 WeakPolarHBondContact CD-OG1 3.48Å; T69-W71 VanDerWaalsContact O-CD1 3.26Å; T69-W71 PolarHBondContact O-N 2.88Å; T69-W71 VanDerWaalsContact O-N 3.11Å; T69-F76 HydrophobicContact CG2-CD2 4.07Å; T69-F76 HydrophobicContact CG2-CE2 3.69Å
70H97.4Very high96.8Very high1 Ų142.2 Ų42.21%0.00520%0.202CC..  trans-86.386.2-173.4-68.9-84.7000111.2Y20 I24 Y27 P28 V29 L65 L68 Q72 H73Y20-H70 AromaticContact CE2-CE1 3.82Å; Y20-H70 AromaticContact CE2-ND1 3.66Å; Y20-H70 AromaticContact CZ-ND1 3.72Å; Y20-H70 PolarHBondContact OH-ND1 3.26Å; I24-H70 HydrophobicContact CD1-CB 4.11Å; I24-H70 HydrophobicContact CG1-CB 4.22Å; Y27-H70 WeakPolarHBondContact CB-NE2 3.25Å; Y27-H70 AromaticContact CD1-NE2 3.95Å; Y27-H70 AromaticContact CG-CE1 3.77Å; Y27-H70 AromaticContact CG-NE2 3.69Å; P28-H70 PolarHBondContact O-CD2 3.39Å; V29-H70 PolarHBondContact O-N 2.93Å; L65-H70 PolarHBondContact O-CE1 3.49Å; L65-H70 PolarHBondContact O-NE2 3.38Å; L68-H70 PolarHBondContact O-CD2 2.85Å; L68-H70 VanDerWaalsContact O-CD2 3.25Å; H70-Q72 PolarHBondContact O-N 3.26Å; H70-Q72 VanDerWaalsContact O-N 3.12Å; H70-H73 HydrophobicContact CB-CB 3.89Å; H70-H73 WeakPolarHBondContact O-CB 3.37Å; H70-H73 PolarHBondContact O-N 3.01Å
71W98Very high96.9Very high102 Ų10240.2 Ų40.239%0.38619%0.19SC..THydrogen-bonded Turntrans-59.3-24.6-178.2-75.873.2000114.9T69 H73 F76 Y79 A82T69-W71 VanDerWaalsContact O-CD1 3.26Å; T69-W71 PolarHBondContact O-N 2.88Å; T69-W71 VanDerWaalsContact O-N 3.11Å; W71-H73 VanDerWaalsContact C-N 3.34Å; W71-F76 HydrophobicContact CB-CZ 4.5Å; W71-F76 AromaticContact CD2-CE1 3.93Å; W71-F76 HydrophobicContact CD2-CE1 3.93Å; W71-F76 AromaticContact CD2-CE2 3.92Å; W71-F76 HydrophobicContact CD2-CE2 3.92Å; W71-F76 AromaticContact CD2-CZ 3.38Å; W71-F76 HydrophobicContact CD2-CZ 3.38Å; W71-F76 AromaticContact CE2-CZ 3.8Å; W71-F76 AromaticContact CE3-CE1 3.48Å; W71-F76 HydrophobicContact CE3-CE1 3.48Å; W71-F76 VanDerWaalsContact CE3-CE1 3.48Å; W71-F76 HydrophobicContact CE3-CE2 4.28Å; W71-F76 AromaticContact CE3-CZ 3.31Å; W71-F76 HydrophobicContact CE3-CZ 3.31Å; W71-F76 HydrophobicContact CG-CE1 4.43Å; W71-F76 HydrophobicContact CG-CE2 4.06Å; W71-F76 AromaticContact CG-CZ 3.94Å; W71-F76 HydrophobicContact CG-CZ 3.94Å; W71-F76 HydrophobicContact CH2-CZ 4.09Å; W71-F76 HydrophobicContact CZ2-CZ 4.14Å; W71-F76 AromaticContact CZ3-CE1 3.95Å; W71-F76 HydrophobicContact CZ3-CE1 3.95Å; W71-F76 AromaticContact CZ3-CZ 3.69Å; W71-F76 HydrophobicContact CZ3-CZ 3.69Å; W71-Y79 AromaticContact CH2-CD2 3.45Å; W71-Y79 HydrophobicContact CH2-CD2 3.45Å; W71-Y79 VanDerWaalsContact CH2-CD2 3.45Å; W71-Y79 HydrophobicContact CH2-CE2 4.07Å; W71-Y79 HydrophobicContact CH2-CG 4.13Å; W71-Y79 AromaticContact CZ2-CD2 3.96Å; W71-Y79 HydrophobicContact CZ2-CD2 3.96Å; W71-Y79 HydrophobicContact CZ2-CE2 4.14Å; W71-Y79 HydrophobicContact CZ3-CD2 4.08Å; W71-A82 HydrophobicContact CD2-CB 4.36Å; W71-A82 HydrophobicContact CE3-CB 3.59Å; W71-A82 HydrophobicContact CZ3-CB 4.16Å
72Q97.5Very high97Very high33 Ų3337.1 Ų37.115%0.15418%0.183CC..THydrogen-bonded Turntrans-92.34.2178.4-52-55.3-55.600112.4I24 H70 A82 H451I24-Q72 HydrophobicContact CD1-CB 3.76Å; H70-Q72 PolarHBondContact O-N 3.26Å; H70-Q72 VanDerWaalsContact O-N 3.12Å; Q72-A82 PolarHBondContact NE2-O 2.91Å; Q72-H451 PolarHBondContact O-CE1 3.14Å; Q72-H451 VanDerWaalsContact O-CE1 3.31Å; Q72-H451 PolarHBondContact O-ND1 3.49Å
73H97.8Very high97.1Very high12 Ų1230.6 Ų30.66%0.05616%0.156CC..SBendtrans-70.2140.6-179.4-168.8-86.5000110.7I24 H25 Y27 V29 H70 W71 Q75 F76I24-H73 PolarHBondContact O-CD2 3.23Å; I24-H73 VanDerWaalsContact O-CD2 3.28Å; H25-H73 WeakPolarHBondContact CA-NE2 3.26Å; Y27-H73 PolarHBondContact O-NE2 3.38Å; V29-H73 HydrophobicContact CB-CB 4.38Å; V29-H73 HydrophobicContact CG2-CB 4.08Å; H70-H73 HydrophobicContact CB-CB 3.89Å; H70-H73 WeakPolarHBondContact O-CB 3.37Å; H70-H73 PolarHBondContact O-N 3.01Å; W71-H73 VanDerWaalsContact C-N 3.34Å; H73-Q75 WeakPolarHBondContact ND1-CB 3.36Å; H73-Q75 PolarHBondContact ND1-N 3.13Å; H73-Q75 PolarHBondContact O-N 2.67Å; H73-Q75 VanDerWaalsContact O-N 3.08Å; H73-F76 HydrophobicContact CB-CB 4.31Å; H73-F76 WeakPolarHBondContact O-CB 3.25Å; H73-F76 PolarHBondContact O-N 3.26Å
74P97.5Very high97.1Very high15 Ų1531 Ų3110%0.09716%0.159CC..THydrogen-bonded Turntrans-53.9-30.8177.2-27.334.4000114.3H77 D458P74-H77 PolarHBondContact O-CE1 3.21Å; P74-H77 PolarHBondContact O-NE2 2.89Å; P74-D458 HydrophobicContact CB-CB 4.41Å; P74-D458 WeakPolarHBondContact CB-OD1 3.42Å
75Q98.2Very high97.2Very high14 Ų1428.3 Ų28.37%0.06515%0.145CC..THydrogen-bonded Turntrans-95.514.7-180-49-55-12.900115.5H73 E431 I432 H433 D458 Y461 S462H73-Q75 WeakPolarHBondContact ND1-CB 3.36Å; H73-Q75 PolarHBondContact ND1-N 3.13Å; H73-Q75 PolarHBondContact O-N 2.67Å; H73-Q75 VanDerWaalsContact O-N 3.08Å; Q75-E431 WeakPolarHBondContact CB-O 3.45Å; Q75-I432 HydrophobicContact CB-CB 4.25Å; Q75-I432 HydrophobicContact CB-CG2 3.99Å; Q75-I432 HydrophobicContact CG-CG2 4.41Å; Q75-I432 WeakPolarHBondContact O-CA 3.23Å; Q75-H433 PolarHBondContact O-N 2.94Å; Q75-D458 PolarHBondContact NE2-O 2.99Å; Q75-D458 PolarHBondContact OE1-O 3.45Å; Q75-Y461 VanDerWaalsContact CD-CD1 3.45Å; Q75-Y461 HydrophobicContact CG-CD1 4.02Å; Q75-Y461 HydrophobicContact CG-CE1 4.13Å; Q75-S462 PolarHBondContact OE1-OG 3.5Å
76F98.5Very high97.3Very high1 Ų132 Ų320%0.00417%0.168CC..BIsolated β-bridgetrans-88105.8171.4-177.7-88.4000109.7V29 T69 W71 H73 A78 Y79 H433 N450V29-F76 HydrophobicContact CG2-CB 3.78Å; V29-F76 HydrophobicContact CG2-CD2 3.95Å; V29-F76 HydrophobicContact CG2-CG 4.37Å; T69-F76 HydrophobicContact CG2-CD2 4.07Å; T69-F76 HydrophobicContact CG2-CE2 3.69Å; W71-F76 HydrophobicContact CB-CZ 4.5Å; W71-F76 AromaticContact CD2-CE1 3.93Å; W71-F76 HydrophobicContact CD2-CE1 3.93Å; W71-F76 AromaticContact CD2-CE2 3.92Å; W71-F76 HydrophobicContact CD2-CE2 3.92Å; W71-F76 AromaticContact CD2-CZ 3.38Å; W71-F76 HydrophobicContact CD2-CZ 3.38Å; W71-F76 AromaticContact CE2-CZ 3.8Å; W71-F76 AromaticContact CE3-CE1 3.48Å; W71-F76 HydrophobicContact CE3-CE1 3.48Å; W71-F76 VanDerWaalsContact CE3-CE1 3.48Å; W71-F76 HydrophobicContact CE3-CE2 4.28Å; W71-F76 AromaticContact CE3-CZ 3.31Å; W71-F76 HydrophobicContact CE3-CZ 3.31Å; W71-F76 HydrophobicContact CG-CE1 4.43Å; W71-F76 HydrophobicContact CG-CE2 4.06Å; W71-F76 AromaticContact CG-CZ 3.94Å; W71-F76 HydrophobicContact CG-CZ 3.94Å; W71-F76 HydrophobicContact CH2-CZ 4.09Å; W71-F76 HydrophobicContact CZ2-CZ 4.14Å; W71-F76 AromaticContact CZ3-CE1 3.95Å; W71-F76 HydrophobicContact CZ3-CE1 3.95Å; W71-F76 AromaticContact CZ3-CZ 3.69Å; W71-F76 HydrophobicContact CZ3-CZ 3.69Å; H73-F76 HydrophobicContact CB-CB 4.31Å; H73-F76 WeakPolarHBondContact O-CB 3.25Å; H73-F76 PolarHBondContact O-N 3.26Å; F76-A78 HydrophobicContact CE1-CB 4.28Å; F76-A78 WeakPolarHBondContact CE1-O 3.34Å; F76-A78 HydrophobicContact CE2-CB 4.11Å; F76-A78 HydrophobicContact CZ-CB 3.88Å; F76-Y79 HydrophobicContact CZ-CD2 4.09Å; F76-H433 HydrophobicContact CD2-CB 4.43Å; F76-H433 AromaticContact CD2-CD2 3.94Å; F76-H433 AromaticContact CE2-CD2 3.64Å; F76-N450 HydrophobicContact CD1-CB 4.2Å; F76-N450 WeakPolarHBondContact CD1-ND2 3.4Å; F76-N450 WeakPolarHBondContact CE1-ND2 3.46Å; F76-N450 VanDerWaalsContact O-CB 3.26Å; F76-N450 WeakPolarHBondContact O-CB 3Å; F76-N450 PolarHBondContact O-ND2 3.04Å
77H98.6Very high97.5Very high3 Ų330 Ų301%0.01416%0.155CC..  trans-117.17.8-179.2-62.2-63.3000113.6P74 H433 I434 F447 S448 S462P74-H77 PolarHBondContact O-CE1 3.21Å; P74-H77 PolarHBondContact O-NE2 2.89Å; H77-H433 CarbonylContact C-O 3.3Å; H77-H433 VanDerWaalsContact C-O 3.3Å; H77-H433 VanDerWaalsContact CA-O 3.28Å; H77-H433 WeakPolarHBondContact CA-O 3.44Å; H77-H433 WeakPolarHBondContact CB-O 3.2Å; H77-H433 PolarHBondContact N-O 3.06Å; H77-I434 HydrophobicContact CB-CG2 4.06Å; H77-F447 HydrophobicContact CB-CD2 3.88Å; H77-F447 HydrophobicContact CB-CE2 3.96Å; H77-F447 HydrophobicContact CB-CG 4.26Å; H77-F447 HydrophobicContact CB-CZ 4.4Å; H77-F447 AromaticContact CD2-CE2 3.31Å; H77-F447 WeakPolarHBondContact CD2-CE2 3.37Å; H77-F447 AromaticContact CD2-CZ 3.47Å; H77-F447 VanDerWaalsContact CD2-CZ 3.47Å; H77-F447 WeakPolarHBondContact CD2-CZ 3.45Å; H77-F447 AromaticContact CE1-CE1 3.8Å; H77-F447 AromaticContact CE1-CZ 3.37Å; H77-F447 WeakPolarHBondContact CE1-CZ 3.42Å; H77-F447 AromaticContact CG-CD2 3.85Å; H77-F447 AromaticContact CG-CE2 3.42Å; H77-F447 VanDerWaalsContact CG-CE2 3.42Å; H77-F447 AromaticContact CG-CZ 3.51Å; H77-F447 AromaticContact ND1-CE1 3.63Å; H77-F447 AromaticContact ND1-CE2 3.87Å; H77-F447 AromaticContact ND1-CZ 3.45Å; H77-F447 WeakPolarHBondContact ND1-CZ 3.4Å; H77-F447 AromaticContact NE2-CE2 3.73Å; H77-F447 AromaticContact NE2-CZ 3.38Å; H77-F447 WeakPolarHBondContact NE2-CZ 3.24Å; H77-S448 WeakPolarHBondContact CA-O 3.35Å; H77-S448 PolarHBondContact ND1-O 3.49Å; H77-S448 PolarHBondContact O-N 3.28Å; H77-S448 VanDerWaalsContact O-N 3.09Å; H77-S462 PolarHBondContact CD2-OG 3.1Å; H77-S462 PolarHBondContact NE2-OG 3.31Å
78A98.2Very high97.6Very high0 Ų029 Ų290%015%0.148CC..SBendtrans-73.9159.5178.500000112.8F76 F80 H433 V435 N450F76-A78 HydrophobicContact CE1-CB 4.28Å; F76-A78 WeakPolarHBondContact CE1-O 3.34Å; F76-A78 HydrophobicContact CE2-CB 4.11Å; F76-A78 HydrophobicContact CZ-CB 3.88Å; A78-F80 PolarHBondContact O-N 3.44Å; A78-H433 WeakPolarHBondContact CB-CD2 3.47Å; A78-H433 WeakPolarHBondContact CB-NE2 3.3Å; A78-H433 PolarHBondContact N-O 3.15Å; A78-V435 HydrophobicContact CB-CG1 3.7Å; A78-V435 HydrophobicContact CB-CG2 4.37Å; A78-N450 PolarHBondContact O-ND2 2.86Å
79Y98Very high97.7Very high123 Ų12327.5 Ų27.548%0.48214%0.14SC..SBendtrans50.6-128.2175.5-51.4-67000113.4W71 F76 V435 R446W71-Y79 AromaticContact CH2-CD2 3.45Å; W71-Y79 HydrophobicContact CH2-CD2 3.45Å; W71-Y79 VanDerWaalsContact CH2-CD2 3.45Å; W71-Y79 HydrophobicContact CH2-CE2 4.07Å; W71-Y79 HydrophobicContact CH2-CG 4.13Å; W71-Y79 AromaticContact CZ2-CD2 3.96Å; W71-Y79 HydrophobicContact CZ2-CD2 3.96Å; W71-Y79 HydrophobicContact CZ2-CE2 4.14Å; W71-Y79 HydrophobicContact CZ3-CD2 4.08Å; F76-Y79 HydrophobicContact CZ-CD2 4.09Å; Y79-V435 HydrophobicContact CD1-CG1 4.42Å; Y79-V435 HydrophobicContact CD1-CG2 4.33Å; Y79-V435 HydrophobicContact CE1-CG1 4.05Å; Y79-V435 HydrophobicContact CE2-CG1 4.38Å; Y79-V435 VanDerWaalsContact N-CG2 3.34Å; Y79-R446 VanDerWaalsContact O-CZ 3.26Å; Y79-R446 PolarHBondContact O-NH1 3.24Å; Y79-R446 PolarHBondContact O-NH2 3.13Å
80F98Very high97.7Very high13 Ų1329.7 Ų29.76%0.05715%0.148CC..SBendtrans-122.1166.6164.2-81.7-50.5000107.3A78 Y277 K306 L407A78-F80 PolarHBondContact O-N 3.44Å; F80-Y277 HydrophobicContact CB-CD2 4.09Å; F80-Y277 AromaticContact CD1-CD1 3.7Å; F80-Y277 HydrophobicContact CD1-CD1 3.7Å; F80-Y277 AromaticContact CD1-CD2 3.51Å; F80-Y277 HydrophobicContact CD1-CD2 3.51Å; F80-Y277 AromaticContact CD1-CE1 3.86Å; F80-Y277 HydrophobicContact CD1-CE1 3.86Å; F80-Y277 AromaticContact CD1-CE2 3.7Å; F80-Y277 HydrophobicContact CD1-CE2 3.7Å; F80-Y277 AromaticContact CD1-CG 3.51Å; F80-Y277 HydrophobicContact CD1-CG 3.51Å; F80-Y277 AromaticContact CD1-CZ 3.86Å; F80-Y277 HydrophobicContact CD2-CD2 4.38Å; F80-Y277 AromaticContact CD2-CG 3.96Å; F80-Y277 HydrophobicContact CD2-CG 3.96Å; F80-Y277 AromaticContact CE1-CD1 3.19Å; F80-Y277 HydrophobicContact CE1-CD1 3.19Å; F80-Y277 AromaticContact CE1-CD2 3.96Å; F80-Y277 HydrophobicContact CE1-CD2 3.96Å; F80-Y277 AromaticContact CE1-CE1 3.39Å; F80-Y277 HydrophobicContact CE1-CE1 3.39Å; F80-Y277 HydrophobicContact CE1-CE2 4.13Å; F80-Y277 AromaticContact CE1-CG 3.49Å; F80-Y277 HydrophobicContact CE1-CG 3.49Å; F80-Y277 VanDerWaalsContact CE1-CG 3.49Å; F80-Y277 AromaticContact CE1-CZ 3.86Å; F80-Y277 HydrophobicContact CE2-CD1 4.08Å; F80-Y277 AromaticContact CE2-CG 3.9Å; F80-Y277 HydrophobicContact CE2-CG 3.9Å; F80-Y277 HydrophobicContact CG-CD1 4.35Å; F80-Y277 AromaticContact CG-CD2 3.76Å; F80-Y277 HydrophobicContact CG-CD2 3.76Å; F80-Y277 HydrophobicContact CG-CE2 4.34Å; F80-Y277 AromaticContact CG-CG 3.76Å; F80-Y277 HydrophobicContact CG-CG 3.76Å; F80-Y277 AromaticContact CZ-CD1 3.41Å; F80-Y277 HydrophobicContact CZ-CD1 3.41Å; F80-Y277 VanDerWaalsContact CZ-CD1 3.41Å; F80-Y277 HydrophobicContact CZ-CE1 4.04Å; F80-Y277 AromaticContact CZ-CG 3.69Å; F80-Y277 HydrophobicContact CZ-CG 3.69Å; F80-K306 HydrophobicContact CB-CD 4.39Å; F80-L407 HydrophobicContact CE1-CB 4.2Å; F80-L407 HydrophobicContact CE1-CD2 4Å; F80-L407 HydrophobicContact CZ-CD2 4.24Å
81P97Very high97.7Very high4 Ų429.6 Ų29.63%0.02615%0.148CC..  trans-61.7148-178.8-4.614000110.5Y277 K306 W307 N450P81-Y277 HydrophobicContact CG-CE2 4.14Å; P81-K306 CarbonylContact C-O 3.52Å; P81-K306 VanDerWaalsContact CB-O 3.27Å; P81-K306 WeakPolarHBondContact CB-O 3.41Å; P81-K306 CarbonylContact O-C 3.5Å; P81-K306 VanDerWaalsContact O-CA 3.23Å; P81-K306 WeakPolarHBondContact O-CA 3.42Å; P81-K306 VanDerWaalsContact O-O 3.09Å; P81-W307 HydrophobicContact CG-CG 4.39Å; P81-N450 WeakPolarHBondContact CA-OD1 3.15Å; P81-N450 HydrophobicContact CB-CB 3.91Å; P81-N450 WeakPolarHBondContact CB-OD1 3.3Å; P81-N450 WeakPolarHBondContact CD-OD1 3.49Å; P81-N450 HydrophobicContact CG-CB 4.32Å; P81-N450 WeakPolarHBondContact CG-OD1 3.43Å
82A97Very high97.7Very high31 Ų3126.1 Ų26.126%0.25614%0.137SC..  trans-102.594.6162.900000106.1W71 Q72 N84W71-A82 HydrophobicContact CD2-CB 4.36Å; W71-A82 HydrophobicContact CE3-CB 3.59Å; W71-A82 HydrophobicContact CZ3-CB 4.16Å; Q72-A82 PolarHBondContact NE2-O 2.91Å; A82-N84 PolarHBondContact O-N 3.44Å
83A96.6Very high97.7Very high6 Ų628.6 Ų28.65%0.0515%0.149CC..  trans-58.7140.6-175.200000110.9P304 N305 K306 V310 S311A83-P304 WeakPolarHBondContact CB-O 3.33Å; A83-N305 PolarHBondContact N-O 2.64Å; A83-K306 WeakPolarHBondContact CB-O 3.34Å; A83-K306 PolarHBondContact N-O 2.96Å; A83-V310 CarbonylContact C-O 3.57Å; A83-V310 CarbonylContact O-C 3.52Å; A83-S311 WeakPolarHBondContact O-CA 3.3Å
84N96Very high97.7Very high33 Ų3331.6 Ų31.618%0.17617%0.165CC..  trans-153.9150.2174.7-163.521.4000108.6A82 I89A82-N84 PolarHBondContact O-N 3.44Å; N84-I89 WeakPolarHBondContact OD1-CG1 3.34Å
85S97.5Very high97.7Very high2 Ų231.3 Ų31.31%0.01416%0.164CC..  trans-157.8158.8175.267.30000110.8S88 I89 L309 Y368S85-S88 WeakPolarHBondContact O-CB 3.21Å; S85-S88 PolarHBondContact O-N 2.68Å; S85-S88 PolarHBondContact OG-N 3.36Å; S85-I89 WeakPolarHBondContact O-CG1 3.2Å; S85-I89 PolarHBondContact O-N 3Å; S85-L309 VanDerWaalsContact CB-O 3.31Å; S85-L309 WeakPolarHBondContact CB-O 3.43Å; S85-L309 PolarHBondContact OG-O 3Å; S85-Y368 WeakPolarHBondContact CB-OH 3.24Å
86V97.1Very high97.7Very high89 Ų8936 Ų3654%0.53919%0.193SC..Hα-helixtrans-56.2-46.6177.9177.50000112S88 I89 M90V86-S88 VanDerWaalsContact C-N 3.26Å; V86-S88 PolarHBondContact O-N 3.14Å; V86-I89 PolarHBondContact O-N 3.18Å; V86-M90 HydrophobicContact CG1-CG 4.18Å; V86-M90 VanDerWaalsContact O-CG 3.26Å; V86-M90 WeakPolarHBondContact O-CG 3.38Å; V86-M90 PolarHBondContact O-N 2.95Å
87P98.1Very high97.6Very high13 Ų1339.7 Ų39.78%0.08422%0.224CC..Hα-helixtrans-53.1-41.3173-33.541.4000114.3A91 F363 V364 I367 Y368P87-A91 WeakPolarHBondContact O-CB 3.19Å; P87-A91 PolarHBondContact O-N 2.7Å; P87-F363 HydrophobicContact CB-CB 4.38Å; P87-V364 HydrophobicContact CB-CG2 4Å; P87-I367 HydrophobicContact CB-CD1 3.83Å; P87-I367 HydrophobicContact CG-CB 4.13Å; P87-I367 HydrophobicContact CG-CD1 3.78Å; P87-I367 HydrophobicContact CG-CG2 3.84Å; P87-Y368 HydrophobicContact CB-CE2 4.41Å; P87-Y368 HydrophobicContact CG-CD2 4.44Å; P87-Y368 HydrophobicContact CG-CE2 3.73Å
88S98.4Very high97.5Very high0 Ų043.6 Ų43.60%025%0.245CC..Hα-helixtrans-70.7-40.7-179.4-161.50000112.3S85 V86 A91 D92 S311S85-S88 WeakPolarHBondContact O-CB 3.21Å; S85-S88 PolarHBondContact O-N 2.68Å; S85-S88 PolarHBondContact OG-N 3.36Å; V86-S88 VanDerWaalsContact C-N 3.26Å; V86-S88 PolarHBondContact O-N 3.14Å; S88-A91 PolarHBondContact O-N 3.24Å; S88-D92 PolarHBondContact O-N 3.08Å; S88-S311 WeakPolarHBondContact OG-CB 3.46Å; S88-S311 PolarHBondContact OG-N 2.76Å; S88-S311 PolarHBondContact OG-OG 2.88Å
89I97.8Very high97.4Very high35 Ų3546.8 Ų46.818%0.17928%0.277CS..Hα-helixtrans-60.3-48.9175.2-65.5165.8000109.9L21 N84 S85 V86 A91 D92 M93L21-I89 HydrophobicContact CD1-CD1 4.17Å; N84-I89 WeakPolarHBondContact OD1-CG1 3.34Å; S85-I89 WeakPolarHBondContact O-CG1 3.2Å; S85-I89 PolarHBondContact O-N 3Å; V86-I89 PolarHBondContact O-N 3.18Å; I89-A91 VanDerWaalsContact C-N 3.31Å; I89-A91 PolarHBondContact O-N 3.08Å; I89-D92 PolarHBondContact O-N 2.96Å; I89-M93 HydrophobicContact CG2-SD 4.33Å; I89-M93 WeakPolarHBondContact O-CG 3.44Å; I89-M93 PolarHBondContact O-N 2.91Å
90M97.8Very high97.2Very high93 Ų9343.7 Ų43.746%0.45827%0.273SS..Hα-helixtrans-62.1-38.3179.9-66.2-64.2-70.100112.2V86 M93 L94V86-M90 HydrophobicContact CG1-CG 4.18Å; V86-M90 VanDerWaalsContact O-CG 3.26Å; V86-M90 WeakPolarHBondContact O-CG 3.38Å; V86-M90 PolarHBondContact O-N 2.95Å; M90-M93 WeakPolarHBondContact O-CB 3.38Å; M90-M93 PolarHBondContact O-N 3.44Å; M90-M93 HydrophobicContact SD-SD 3.96Å; M90-L94 PolarHBondContact O-N 3.33Å; M90-L94 VanDerWaalsContact O-N 3.14Å
91A98.4Very high97.1Very high0 Ų045.7 Ų45.70%028%0.284CS..Hα-helixtrans-68.9-39.9176.100000112.8P87 S88 I89 M93 L94 S95 L359 K360 F363P87-A91 WeakPolarHBondContact O-CB 3.19Å; P87-A91 PolarHBondContact O-N 2.7Å; S88-A91 PolarHBondContact O-N 3.24Å; I89-A91 VanDerWaalsContact C-N 3.31Å; I89-A91 PolarHBondContact O-N 3.08Å; A91-M93 VanDerWaalsContact C-N 3.34Å; A91-L94 PolarHBondContact O-N 2.83Å; A91-S95 WeakPolarHBondContact O-CB 3.27Å; A91-S95 PolarHBondContact O-N 3.18Å; A91-L359 HydrophobicContact CB-CG 4.31Å; A91-K360 HydrophobicContact CB-CB 3.63Å; A91-F363 HydrophobicContact CB-CB 3.97Å; A91-F363 HydrophobicContact CB-CD1 4.33Å; A91-F363 HydrophobicContact CB-CD2 3.68Å; A91-F363 HydrophobicContact CB-CE2 4.21Å; A91-F363 HydrophobicContact CB-CG 3.74Å
92D97.9Very high97Very high29 Ų2945.5 Ų45.516%0.15528%0.283CS..Hα-helixtrans-66.8-35.3174.5-89-26.3000111.2S88 I89 L94 S95 T96 S311 R355 K360S88-D92 PolarHBondContact O-N 3.08Å; I89-D92 PolarHBondContact O-N 2.96Å; D92-L94 PolarHBondContact O-N 2.81Å; D92-S95 PolarHBondContact O-N 3.14Å; D92-T96 WeakPolarHBondContact O-CB 3.39Å; D92-T96 PolarHBondContact O-N 3.04Å; D92-T96 PolarHBondContact O-OG1 2.92Å; D92-T96 VanDerWaalsContact O-OG1 3.14Å; D92-S311 PolarHBondContact OD2-OG 3.35Å; D92-R355 IonicContact OD1-CZ 3.85Å; D92-R355 IonicContact OD1-NH1 3.54Å; D92-R355 PolarHBondContact OD1-NH1 3.39Å; D92-R355 IonicContact OD1-NH2 3.31Å; D92-K360 IonicContact OD1-NZ 2.86Å; D92-K360 IonicContact OD2-NZ 3.94Å; D92-K360 PolarHBondContact OD2-NZ 3.33Å
93M96.9Very high96.8Very high85 Ų8546.5 Ų46.542%0.41928%0.282SS..Hα-helixtrans-57.8-47171-70.2171.269.700111.6I14 I89 M90 A91 T96 A97I14-M93 HydrophobicContact CD1-CE 4.15Å; I14-M93 HydrophobicContact CG1-CE 4.13Å; I89-M93 HydrophobicContact CG2-SD 4.33Å; I89-M93 WeakPolarHBondContact O-CG 3.44Å; I89-M93 PolarHBondContact O-N 2.91Å; M90-M93 WeakPolarHBondContact O-CB 3.38Å; M90-M93 PolarHBondContact O-N 3.44Å; M90-M93 HydrophobicContact SD-SD 3.96Å; A91-M93 VanDerWaalsContact C-N 3.34Å; M93-T96 PolarHBondContact O-N 3.26Å; M93-A97 WeakPolarHBondContact O-CB 3.28Å; M93-A97 PolarHBondContact O-N 3.36Å
94L97.9Very high96.7Very high74 Ų7446.3 Ų46.339%0.38728%0.28SS..Hα-helixtrans-66.9-42.3177.2179.758.1000112M90 A91 D92 T96 A97 L98 L359 F363M90-L94 PolarHBondContact O-N 3.33Å; M90-L94 VanDerWaalsContact O-N 3.14Å; A91-L94 PolarHBondContact O-N 2.83Å; D92-L94 PolarHBondContact O-N 2.81Å; L94-T96 VanDerWaalsContact C-N 3.31Å; L94-T96 PolarHBondContact O-N 2.69Å; L94-A97 PolarHBondContact O-N 2.86Å; L94-L98 HydrophobicContact CD1-CD1 4.16Å; L94-L98 HydrophobicContact CD1-CG 4.06Å; L94-L98 HydrophobicContact CG-CD1 4.04Å; L94-L98 HydrophobicContact CG-CG 4.42Å; L94-L98 VanDerWaalsContact O-CG 3.3Å; L94-L98 WeakPolarHBondContact O-CG 3.21Å; L94-L98 PolarHBondContact O-N 2.97Å; L94-L359 HydrophobicContact CB-CD2 4.06Å; L94-L359 HydrophobicContact CD2-CD2 3.96Å; L94-L359 HydrophobicContact CG-CD2 3.88Å; L94-F363 HydrophobicContact CD2-CZ 4.02Å
95S98Very high96.7Very high10 Ų1047 Ų477%0.0728%0.28CS..Hα-helixtrans-55.6-46.6176.3-166.30000111.2A91 D92 G99 F356A91-S95 WeakPolarHBondContact O-CB 3.27Å; A91-S95 PolarHBondContact O-N 3.18Å; D92-S95 PolarHBondContact O-N 3.14Å; S95-G99 PolarHBondContact O-N 2.95Å; S95-F356 WeakPolarHBondContact OG-CB 3.49Å; S95-F356 PolarHBondContact OG-O 3.16Å; S95-F356 VanDerWaalsContact OG-O 3.14Å
96T97.3Very high96.7Very high112 Ų11250.3 Ų50.369%0.68730%0.3SS*.Hα-helixtrans-66.9-42.3177.4-64.10000112.2D92 M93 L94 L98 G99D92-T96 WeakPolarHBondContact O-CB 3.39Å; D92-T96 PolarHBondContact O-N 3.04Å; D92-T96 PolarHBondContact O-OG1 2.92Å; D92-T96 VanDerWaalsContact O-OG1 3.14Å; M93-T96 PolarHBondContact O-N 3.26Å; L94-T96 VanDerWaalsContact C-N 3.31Å; L94-T96 PolarHBondContact O-N 2.69Å; T96-L98 VanDerWaalsContact C-N 3.32Å; T96-L98 PolarHBondContact O-N 3.44Å; T96-G99 PolarHBondContact O-N 2.73Å
97A96.6Very high96.6Very high79 Ų7948 Ų4865%0.65329%0.291SS*.Hα-helixtrans-64.7-35.2178.900000112.8M93 L94M93-A97 WeakPolarHBondContact O-CB 3.28Å; M93-A97 PolarHBondContact O-N 3.36Å; L94-A97 PolarHBondContact O-N 2.86Å
98L97.4Very high96.5Very high85 Ų8548.3 Ų48.345%0.44529%0.293SS..Hα-helixtrans-69-32176.5-70.9170.3000112.4L94 T96 C100 F356L94-L98 HydrophobicContact CD1-CD1 4.16Å; L94-L98 HydrophobicContact CD1-CG 4.06Å; L94-L98 HydrophobicContact CG-CD1 4.04Å; L94-L98 HydrophobicContact CG-CG 4.42Å; L94-L98 VanDerWaalsContact O-CG 3.3Å; L94-L98 WeakPolarHBondContact O-CG 3.21Å; L94-L98 PolarHBondContact O-N 2.97Å; T96-L98 VanDerWaalsContact C-N 3.32Å; T96-L98 PolarHBondContact O-N 3.44Å; L98-C100 PolarHBondContact O-N 2.95Å; L98-C100 PolarHBondContact O-SG 3.34Å; L98-F356 HydrophobicContact CD1-CD1 4.12Å; L98-F356 HydrophobicContact CD1-CE1 4.39Å
99G94.9Very high96.5Very high66 Ų6650.7 Ų50.768%0.6831%0.308SS*.  trans62.512.7173.100000115.7S95 T96S95-G99 PolarHBondContact O-N 2.95Å; T96-G99 PolarHBondContact O-N 2.73Å
100C95.4Very high96.5Very high59 Ų5951.9 Ų51.940%0.39932%0.323SS..  trans-78.4152.7-175.1-59.10000112.8L98 I111L98-C100 PolarHBondContact O-N 2.95Å; L98-C100 PolarHBondContact O-SG 3.34Å; C100-I111 HydrophobicContact CB-CD1 3.74Å
101N94.9Very high96.5Very high54 Ų5447.5 Ų47.529%0.28930%0.302SS..  trans-119.8126.1176.9-169.4-7.3000110.6F103 A107 S353 R354N101-F103 HydrophobicContact CB-CD1 4.37Å; N101-A107 WeakPolarHBondContact O-CB 3.32Å; N101-S353 VanDerWaalsContact ND2-CB 3.26Å; N101-S353 WeakPolarHBondContact ND2-CB 3.49Å; N101-S353 PolarHBondContact ND2-OG 2.93Å; N101-S353 VanDerWaalsContact OD1-CA 3.25Å; N101-S353 WeakPolarHBondContact OD1-CA 3.21Å; N101-R354 PolarHBondContact OD1-N 3.04Å; N101-R354 PolarHBondContact OD1-O 2.92Å
102G94.8Very high96.4Very high1 Ų147.6 Ų47.61%0.0130%0.302CS..  trans-109.951.8-174.300000113.8S104 R354G102-S104 VanDerWaalsContact C-N 3.35Å; G102-R354 PolarHBondContact N-O 3.29Å
103F93.3Very high96.4Very high52 Ų5250.5 Ų50.523%0.22832%0.315CS..SBendtrans-74.1-25.8177.757.1-102.8000113.5N101 A107 L336 R346 L352N101-F103 HydrophobicContact CB-CD1 4.37Å; F103-A107 HydrophobicContact CD1-CB 4.11Å; F103-A107 HydrophobicContact CD2-CB 4.07Å; F103-A107 HydrophobicContact CE1-CB 3.77Å; F103-A107 HydrophobicContact CE2-CB 3.72Å; F103-A107 HydrophobicContact CG-CB 4.25Å; F103-A107 HydrophobicContact CZ-CB 3.56Å; F103-L336 HydrophobicContact CD2-CD2 3.95Å; F103-L336 HydrophobicContact CE2-CD2 3.73Å; F103-L336 HydrophobicContact CZ-CD2 4.47Å; F103-R346 HydrophobicContact CB-CB 4.45Å; F103-R346 WeakPolarHBondContact O-CB 3.47Å; F103-R346 WeakPolarHBondContact O-CD 3.46Å; F103-R346 VanDerWaalsContact O-CG 3.22Å; F103-R346 WeakPolarHBondContact O-CG 3.44Å; F103-R346 PolarHBondContact O-N 2.99Å; F103-L352 HydrophobicContact CB-CD1 3.8Å; F103-L352 HydrophobicContact CB-CG 4Å; F103-L352 WeakPolarHBondContact CB-O 3.5Å; F103-L352 HydrophobicContact CD2-CD1 4.37Å; F103-L352 HydrophobicContact CG-CD1 4.22Å; F103-L352 HydrophobicContact CG-CG 4.37Å
104S94.5Very high96.5Very high1 Ų147.6 Ų47.61%0.00730%0.301CS..SBendtrans-140.1161.9174.457.70000109G102 V106 A107 D344G102-S104 VanDerWaalsContact C-N 3.35Å; S104-V106 VanDerWaalsContact C-N 3.27Å; S104-V106 PolarHBondContact O-N 2.75Å; S104-A107 WeakPolarHBondContact O-CB 3.33Å; S104-A107 PolarHBondContact O-N 2.81Å; S104-A107 VanDerWaalsContact O-N 3.17Å; S104-A107 WeakPolarHBondContact OG-CB 3.4Å; S104-A107 PolarHBondContact OG-N 3.42Å; S104-D344 WeakPolarHBondContact CA-OD1 3.44Å; S104-D344 VanDerWaalsContact CB-OD1 3.24Å; S104-D344 WeakPolarHBondContact CB-OD1 3.39Å
105W96.6Very high96.6Very high49 Ų4944.2 Ų44.219%0.18628%0.283CS..G310 helixtrans-56.3-44.3176.4-176.494.1000111.3A107 S108 P109 E113 Y340 T342 D344W105-A107 PolarHBondContact O-N 3.36Å; W105-S108 CarbonylContact O-C 3.38Å; W105-S108 PolarHBondContact O-N 3.17Å; W105-P109 HydrophobicContact CD2-CB 4.22Å; W105-P109 HydrophobicContact CD2-CG 4.21Å; W105-P109 HydrophobicContact CE3-CG 4.21Å; W105-P109 HydrophobicContact CH2-CB 4.33Å; W105-P109 HydrophobicContact CH2-CG 4.06Å; W105-P109 HydrophobicContact CZ2-CB 3.84Å; W105-P109 HydrophobicContact CZ2-CG 4.08Å; W105-P109 HydrophobicContact CZ3-CG 4.12Å; W105-P109 VanDerWaalsContact O-CA 3.27Å; W105-P109 WeakPolarHBondContact O-CA 3.4Å; W105-P109 WeakPolarHBondContact O-CD 3.44Å; W105-P109 VanDerWaalsContact O-CG 3.29Å; W105-P109 WeakPolarHBondContact O-CG 3.46Å; W105-E113 PolarHBondContact NE1-OE1 3.41Å; W105-Y340 AromaticContact CE3-CD2 3.73Å; W105-Y340 HydrophobicContact CE3-CD2 3.73Å; W105-Y340 HydrophobicContact CE3-CE2 4.18Å; W105-Y340 AromaticContact CE3-CG 3.99Å; W105-Y340 HydrophobicContact CE3-CG 3.99Å; W105-Y340 HydrophobicContact CZ3-CD1 4.13Å; W105-Y340 AromaticContact CZ3-CD2 3.57Å; W105-Y340 HydrophobicContact CZ3-CD2 3.57Å; W105-Y340 HydrophobicContact CZ3-CE1 4.15Å; W105-Y340 AromaticContact CZ3-CE2 3.59Å; W105-Y340 HydrophobicContact CZ3-CE2 3.59Å; W105-Y340 AromaticContact CZ3-CG 3.85Å; W105-Y340 HydrophobicContact CZ3-CG 3.85Å; W105-Y340 AromaticContact CZ3-CZ 3.88Å; W105-T342 HydrophobicContact CB-CG2 4.4Å; W105-T342 WeakPolarHBondContact CB-OG1 3.41Å; W105-T342 HydrophobicContact CD2-CG2 4.1Å; W105-T342 HydrophobicContact CG-CG2 3.97Å; W105-D344 PolarHBondContact N-OD1 2.86Å
106V96.1Very high96.6Very high71 Ų7145.2 Ų45.243%0.4329%0.287SS..G310 helixtrans-66.5-26.3-178.3800000113.2S104 H338 Y340S104-V106 VanDerWaalsContact C-N 3.27Å; S104-V106 PolarHBondContact O-N 2.75Å; V106-H338 HydrophobicContact CB-CB 4.13Å; V106-H338 HydrophobicContact CG1-CB 3.82Å; V106-H338 VanDerWaalsContact CG1-CD2 3.41Å; V106-H338 WeakPolarHBondContact CG1-CD2 3.1Å; V106-Y340 HydrophobicContact CB-CD2 4.38Å; V106-Y340 HydrophobicContact CG2-CD2 4.25Å; V106-Y340 HydrophobicContact CG2-CE2 3.98Å
107A95.9Very high96.6Very high41 Ų4144.1 Ų44.134%0.33928%0.277SS..G310 helixtrans-68.6-36.2-179.100000112.1N101 F103 S104 W105N101-A107 WeakPolarHBondContact O-CB 3.32Å; F103-A107 HydrophobicContact CD1-CB 4.11Å; F103-A107 HydrophobicContact CD2-CB 4.07Å; F103-A107 HydrophobicContact CE1-CB 3.77Å; F103-A107 HydrophobicContact CE2-CB 3.72Å; F103-A107 HydrophobicContact CG-CB 4.25Å; F103-A107 HydrophobicContact CZ-CB 3.56Å; S104-A107 WeakPolarHBondContact O-CB 3.33Å; S104-A107 PolarHBondContact O-N 2.81Å; S104-A107 VanDerWaalsContact O-N 3.17Å; S104-A107 WeakPolarHBondContact OG-CB 3.4Å; S104-A107 PolarHBondContact OG-N 3.42Å; W105-A107 PolarHBondContact O-N 3.36Å
108S96.7Very high96.7Very high18 Ų1840.4 Ų40.413%0.12625%0.246CC..  trans-165.787.6173.7-1750000110.5W105 A110 I111W105-S108 CarbonylContact O-C 3.38Å; W105-S108 PolarHBondContact O-N 3.17Å; S108-A110 VanDerWaalsContact C-N 3.28Å; S108-A110 PolarHBondContact O-N 2.82Å; S108-A110 VanDerWaalsContact O-N 3.14Å; S108-I111 WeakPolarHBondContact O-CB 3.33Å; S108-I111 PolarHBondContact O-N 3.07Å; S108-I111 WeakPolarHBondContact OG-CD1 3.39Å; S108-I111 WeakPolarHBondContact OG-CG1 3.32Å
109P97Very high96.8Very high50 Ų5036.3 Ų36.333%0.32523%0.225SC..Hα-helixtrans-52.3-43.3-172.4-30.735.4000113.7W105 I111 T112 E113W105-P109 HydrophobicContact CD2-CB 4.22Å; W105-P109 HydrophobicContact CD2-CG 4.21Å; W105-P109 HydrophobicContact CE3-CG 4.21Å; W105-P109 HydrophobicContact CH2-CB 4.33Å; W105-P109 HydrophobicContact CH2-CG 4.06Å; W105-P109 HydrophobicContact CZ2-CB 3.84Å; W105-P109 HydrophobicContact CZ2-CG 4.08Å; W105-P109 HydrophobicContact CZ3-CG 4.12Å; W105-P109 VanDerWaalsContact O-CA 3.27Å; W105-P109 WeakPolarHBondContact O-CA 3.4Å; W105-P109 WeakPolarHBondContact O-CD 3.44Å; W105-P109 VanDerWaalsContact O-CG 3.29Å; W105-P109 WeakPolarHBondContact O-CG 3.46Å; P109-I111 PolarHBondContact O-N 3.39Å; P109-T112 PolarHBondContact O-N 3.45Å; P109-T112 VanDerWaalsContact O-N 3.15Å; P109-E113 WeakPolarHBondContact O-CB 3.26Å; P109-E113 WeakPolarHBondContact O-CG 3.4Å; P109-E113 PolarHBondContact O-N 2.98Å
110A97.8Very high97Very high60 Ų6033.7 Ų33.750%0.49620%0.195SC..Hα-helixtrans-61-28.6-179.500000114.1S108 L114S108-A110 VanDerWaalsContact C-N 3.28Å; S108-A110 PolarHBondContact O-N 2.82Å; S108-A110 VanDerWaalsContact O-N 3.14Å; A110-L114 WeakPolarHBondContact O-CB 3.45Å; A110-L114 PolarHBondContact O-N 3.02Å; A110-L114 VanDerWaalsContact O-N 3.13Å
111I97.6Very high97.1Very high2 Ų236 Ų361%0.0120%0.195CC..Hα-helixtrans-67.9-49.8176.2-66.3-179.5000109.5C100 S108 P109 E115 F356C100-I111 HydrophobicContact CB-CD1 3.74Å; S108-I111 WeakPolarHBondContact O-CB 3.33Å; S108-I111 PolarHBondContact O-N 3.07Å; S108-I111 WeakPolarHBondContact OG-CD1 3.39Å; S108-I111 WeakPolarHBondContact OG-CG1 3.32Å; P109-I111 PolarHBondContact O-N 3.39Å; I111-E115 WeakPolarHBondContact O-CB 3.47Å; I111-E115 PolarHBondContact O-N 3.02Å; I111-E115 VanDerWaalsContact O-N 3.15Å; I111-F356 HydrophobicContact CB-CD2 4.19Å; I111-F356 HydrophobicContact CB-CE2 4.46Å; I111-F356 HydrophobicContact CD1-CB 3.96Å; I111-F356 HydrophobicContact CD1-CG 4.29Å; I111-F356 HydrophobicContact CG1-CB 3.88Å; I111-F356 HydrophobicContact CG1-CD1 3.99Å; I111-F356 HydrophobicContact CG1-CD2 3.81Å; I111-F356 HydrophobicContact CG1-CE1 4.42Å; I111-F356 HydrophobicContact CG1-CE2 4.24Å; I111-F356 HydrophobicContact CG1-CG 3.66Å; I111-F356 HydrophobicContact CG2-CD2 4.2Å
112T97.7Very high97.3Very high1 Ų133.4 Ų33.41%0.00618%0.182CC..Hα-helixtrans-65.2-51.3-179.8-61.70000111.3P109 L114 E115 I116 L343 F345P109-T112 PolarHBondContact O-N 3.45Å; P109-T112 VanDerWaalsContact O-N 3.15Å; T112-L114 PolarHBondContact O-N 3.32Å; T112-E115 PolarHBondContact O-N 3.3Å; T112-I116 HydrophobicContact CG2-CD1 3.95Å; T112-I116 WeakPolarHBondContact O-CG1 3.42Å; T112-I116 PolarHBondContact O-N 3.09Å; T112-L343 WeakPolarHBondContact CG2-O 3.31Å; T112-F345 HydrophobicContact CG2-CD2 3.98Å; T112-F345 HydrophobicContact CG2-CE2 3.82Å
113E98.1Very high97.5Very high90 Ų9033.3 Ų33.342%0.42118%0.181SC..Hα-helixtrans-62.2-43.8-176-64.5-75.3179.500111.9W105 P109 I116 L117W105-E113 PolarHBondContact NE1-OE1 3.41Å; P109-E113 WeakPolarHBondContact O-CB 3.26Å; P109-E113 WeakPolarHBondContact O-CG 3.4Å; P109-E113 PolarHBondContact O-N 2.98Å; E113-I116 PolarHBondContact O-N 3.23Å; E113-L117 WeakPolarHBondContact O-CG 3.36Å; E113-L117 PolarHBondContact O-N 3.22Å; E113-L117 VanDerWaalsContact O-N 3.14Å
114L98.6Very high97.8Very high25 Ų2536.4 Ų36.413%0.13119%0.194CC..Hα-helixtrans-69.3-36.4178.3-172.564.5000111.6A110 T112 L117 M118 F356 A358 L359 W362A110-L114 WeakPolarHBondContact O-CB 3.45Å; A110-L114 PolarHBondContact O-N 3.02Å; A110-L114 VanDerWaalsContact O-N 3.13Å; T112-L114 PolarHBondContact O-N 3.32Å; L114-L117 PolarHBondContact O-N 3Å; L114-M118 HydrophobicContact CD1-CE 4.08Å; L114-M118 HydrophobicContact CD1-CG 4.36Å; L114-M118 HydrophobicContact CG-CG 4.25Å; L114-M118 WeakPolarHBondContact O-CB 3.23Å; L114-M118 VanDerWaalsContact O-CG 3.26Å; L114-M118 WeakPolarHBondContact O-CG 3.42Å; L114-M118 PolarHBondContact O-N 3.4Å; L114-F356 HydrophobicContact CB-CE2 3.94Å; L114-F356 HydrophobicContact CB-CZ 4.26Å; L114-F356 HydrophobicContact CD2-CE2 3.54Å; L114-F356 HydrophobicContact CD2-CZ 3.61Å; L114-F356 HydrophobicContact CG-CE2 4.26Å; L114-A358 HydrophobicContact CB-CB 4.38Å; L114-A358 HydrophobicContact CD2-CB 4.4Å; L114-A358 HydrophobicContact CG-CB 4.12Å; L114-L359 HydrophobicContact CD2-CD1 4.27Å; L114-W362 HydrophobicContact CD1-CB 4.34Å; L114-W362 HydrophobicContact CD1-CD2 4.2Å; L114-W362 HydrophobicContact CD1-CG 3.93Å; L114-W362 HydrophobicContact CD2-CB 4.14Å; L114-W362 HydrophobicContact CD2-CD2 4.32Å; L114-W362 HydrophobicContact CD2-CE3 4.36Å; L114-W362 HydrophobicContact CD2-CG 4.27Å
115E98.6Very high97.9Very high2 Ų237.7 Ų37.71%0.00920%0.201CC..Hα-helixtrans-62.2-44.3175.3-174.9159.7144.900111.6I111 T112 L117 M118 C119 I143 F345 R354 A358I111-E115 WeakPolarHBondContact O-CB 3.47Å; I111-E115 PolarHBondContact O-N 3.02Å; I111-E115 VanDerWaalsContact O-N 3.15Å; T112-E115 PolarHBondContact O-N 3.3Å; E115-L117 PolarHBondContact O-N 3.36Å; E115-M118 PolarHBondContact O-N 2.9Å; E115-C119 WeakPolarHBondContact O-CB 3.43Å; E115-C119 PolarHBondContact O-N 2.88Å; E115-C119 PolarHBondContact O-SG 3.03Å; E115-C119 VanDerWaalsContact O-SG 3.36Å; E115-I143 HydrophobicContact CG-CD1 3.73Å; E115-I143 HydrophobicContact CG-CG1 3.84Å; E115-I143 PolarHBondContact OE1-N 3.03Å; E115-F345 HydrophobicContact CB-CE2 3.83Å; E115-F345 HydrophobicContact CB-CZ 4.24Å; E115-F345 HydrophobicContact CG-CE2 3.88Å; E115-F345 HydrophobicContact CG-CZ 3.91Å; E115-R354 IonicContact OE1-CZ 3.48Å; E115-R354 IonicContact OE1-NH2 3.88Å; E115-R354 PolarHBondContact OE1-NH2 2.86Å; E115-R354 IonicContact OE2-NH2 3.59Å; E115-A358 VanDerWaalsContact CA-CB 3.49Å; E115-A358 HydrophobicContact CB-CB 3.84Å; E115-A358 HydrophobicContact CG-CB 4.46Å
116I98.4Very high98Very high31 Ų3135.4 Ų35.416%0.15919%0.193CC..Hα-helixtrans-53.2-52.7173.1-72167.1000110.6T112 E113 M118 C119 D120 H134 L343 F345T112-I116 HydrophobicContact CG2-CD1 3.95Å; T112-I116 WeakPolarHBondContact O-CG1 3.42Å; T112-I116 PolarHBondContact O-N 3.09Å; E113-I116 PolarHBondContact O-N 3.23Å; I116-M118 PolarHBondContact O-N 3.45Å; I116-C119 PolarHBondContact O-N 3.37Å; I116-D120 PolarHBondContact O-N 3.45Å; I116-H134 HydrophobicContact CG2-CB 3.73Å; I116-L343 HydrophobicContact CD1-CD2 4.14Å; I116-L343 HydrophobicContact CG1-CD2 4.11Å; I116-F345 HydrophobicContact CG1-CE2 4.15Å; I116-F345 HydrophobicContact CG1-CZ 3.87Å
117L98.6Very high98.1Very high89 Ų8937 Ų3747%0.46620%0.199SC..Hα-helixtrans-63.7-40.8-178.5-67.1174.3000112.6E113 L114 E115 D120 W121E113-L117 WeakPolarHBondContact O-CG 3.36Å; E113-L117 PolarHBondContact O-N 3.22Å; E113-L117 VanDerWaalsContact O-N 3.14Å; L114-L117 PolarHBondContact O-N 3Å; E115-L117 PolarHBondContact O-N 3.36Å; L117-D120 PolarHBondContact O-N 3.07Å; L117-W121 WeakPolarHBondContact O-CB 3.14Å; L117-W121 PolarHBondContact O-N 3.17Å
118M98.6Very high98.3Very high1 Ų135.7 Ų35.71%0.00519%0.186CC..Hα-helixtrans-69.2-38.9179.9-69.5-51.592.900112.2L114 E115 I116 D120 W121 I122 A358 L361 W362 I365L114-M118 HydrophobicContact CD1-CE 4.08Å; L114-M118 HydrophobicContact CD1-CG 4.36Å; L114-M118 HydrophobicContact CG-CG 4.25Å; L114-M118 WeakPolarHBondContact O-CB 3.23Å; L114-M118 VanDerWaalsContact O-CG 3.26Å; L114-M118 WeakPolarHBondContact O-CG 3.42Å; L114-M118 PolarHBondContact O-N 3.4Å; E115-M118 PolarHBondContact O-N 2.9Å; I116-M118 PolarHBondContact O-N 3.45Å; M118-D120 VanDerWaalsContact C-N 3.34Å; M118-W121 HydrophobicContact CE-CD2 3.58Å; M118-W121 HydrophobicContact CE-CE3 3.48Å; M118-W121 VanDerWaalsContact CE-CE3 3.48Å; M118-W121 HydrophobicContact CE-CG 4.13Å; M118-W121 HydrophobicContact CE-CH2 4.19Å; M118-W121 HydrophobicContact CE-CZ2 4.26Å; M118-W121 HydrophobicContact CE-CZ3 3.81Å; M118-W121 PolarHBondContact O-N 2.91Å; M118-W121 HydrophobicContact SD-CD2 4.5Å; M118-W121 HydrophobicContact SD-CE3 3.97Å; M118-W121 HydrophobicContact SD-CZ3 4.37Å; M118-I122 WeakPolarHBondContact O-CG1 3.37Å; M118-I122 PolarHBondContact O-N 3.28Å; M118-A358 HydrophobicContact CB-CB 4.47Å; M118-A358 HydrophobicContact CG-CB 4.18Å; M118-L361 HydrophobicContact CB-CB 4.38Å; M118-L361 HydrophobicContact CB-CD1 4.43Å; M118-L361 HydrophobicContact CG-CB 4.28Å; M118-W362 HydrophobicContact CE-CG 4.37Å; M118-W362 HydrophobicContact CG-CB 4.19Å; M118-W362 WeakPolarHBondContact SD-CA 3.35Å; M118-W362 HydrophobicContact SD-CB 3.62Å; M118-W362 HydrophobicContact SD-CG 4.03Å; M118-I365 HydrophobicContact SD-CD1 4.43Å
119C98.8Very high98.3Very high0 Ų036.4 Ų36.40%019%0.19CC..Hα-helixtrans-61.4-42.6172.4-75.90000111.6E115 I116 G123 W318E115-C119 WeakPolarHBondContact O-CB 3.43Å; E115-C119 PolarHBondContact O-N 2.88Å; E115-C119 PolarHBondContact O-SG 3.03Å; E115-C119 VanDerWaalsContact O-SG 3.36Å; I116-C119 PolarHBondContact O-N 3.37Å; C119-G123 PolarHBondContact O-N 3.34Å; C119-W318 PolarHBondContact O-NE1 3.42Å
120D98.8Very high98.4Very high11 Ų1141.5 Ų41.56%0.05921%0.21CC..Hα-helixtrans-68.1-41.5176.7-87.116.9000112.5I116 L117 M118 I122 G123 K124 L133 H134 S135I116-D120 PolarHBondContact O-N 3.45Å; L117-D120 PolarHBondContact O-N 3.07Å; M118-D120 VanDerWaalsContact C-N 3.34Å; D120-I122 PolarHBondContact O-N 2.98Å; D120-G123 PolarHBondContact O-N 2.93Å; D120-K124 WeakPolarHBondContact O-CB 3.3Å; D120-K124 VanDerWaalsContact O-CG 3.22Å; D120-K124 WeakPolarHBondContact O-CG 3.34Å; D120-K124 PolarHBondContact O-N 2.83Å; D120-L133 WeakPolarHBondContact OD1-CA 3.33Å; D120-H134 WeakPolarHBondContact OD1-CB 3.48Å; D120-H134 IonicContact OD1-CD2 3.79Å; D120-H134 IonicContact OD1-CG 3.48Å; D120-H134 PolarHBondContact OD1-N 3.4Å; D120-S135 WeakPolarHBondContact OD2-CB 3.42Å; D120-S135 PolarHBondContact OD2-N 3.42Å; D120-S135 VanDerWaalsContact OD2-N 3.1Å
121W98.7Very high98.4Very high106 Ų10641.3 Ų41.340%0.40220%0.202SC..Hα-helixtrans-58.3-48.2176.8-80.620.5000111.5L117 M118 K124 L125 I365 R366L117-W121 WeakPolarHBondContact O-CB 3.14Å; L117-W121 PolarHBondContact O-N 3.17Å; M118-W121 HydrophobicContact CE-CD2 3.58Å; M118-W121 HydrophobicContact CE-CE3 3.48Å; M118-W121 VanDerWaalsContact CE-CE3 3.48Å; M118-W121 HydrophobicContact CE-CG 4.13Å; M118-W121 HydrophobicContact CE-CH2 4.19Å; M118-W121 HydrophobicContact CE-CZ2 4.26Å; M118-W121 HydrophobicContact CE-CZ3 3.81Å; M118-W121 PolarHBondContact O-N 2.91Å; M118-W121 HydrophobicContact SD-CD2 4.5Å; M118-W121 HydrophobicContact SD-CE3 3.97Å; M118-W121 HydrophobicContact SD-CZ3 4.37Å; W121-K124 PolarHBondContact O-N 3.33Å; W121-L125 WeakPolarHBondContact O-CG 3.39Å; W121-L125 PolarHBondContact O-N 2.91Å; W121-I365 HydrophobicContact CE3-CG2 3.83Å; W121-I365 HydrophobicContact CZ3-CG2 4.02Å; W121-R366 HydrophobicContact CZ3-CG 4.25Å
122I98.6Very high98.5Very high0 Ų041.2 Ų41.20%020%0.202CC..Hα-helixtrans-71.9-40.7-178.9-63.3167.1000110.4M118 D120 K124 L125 L126 I302 M308 L316 W318 L361 I365M118-I122 WeakPolarHBondContact O-CG1 3.37Å; M118-I122 PolarHBondContact O-N 3.28Å; D120-I122 PolarHBondContact O-N 2.98Å; I122-K124 VanDerWaalsContact C-N 3.26Å; I122-K124 PolarHBondContact O-N 3.4Å; I122-L125 WeakPolarHBondContact O-CB 3.42Å; I122-L125 PolarHBondContact O-N 2.9Å; I122-L126 HydrophobicContact CG2-CD1 3.92Å; I122-L126 HydrophobicContact CG2-CG 4.18Å; I122-L126 VanDerWaalsContact O-CG 3.25Å; I122-L126 WeakPolarHBondContact O-CG 3.46Å; I122-L126 PolarHBondContact O-N 3.1Å; I122-I302 HydrophobicContact CG2-CD1 4.07Å; I122-M308 HydrophobicContact CD1-CE 3.83Å; I122-M308 HydrophobicContact CG1-CE 4.29Å; I122-L316 HydrophobicContact CB-CD1 4.22Å; I122-L316 HydrophobicContact CD1-CD1 3.31Å; I122-L316 HydrophobicContact CG1-CD1 4.35Å; I122-L316 HydrophobicContact CG2-CD1 3.88Å; I122-W318 HydrophobicContact CB-CH2 4.36Å; I122-W318 HydrophobicContact CB-CZ2 3.97Å; I122-W318 HydrophobicContact CG2-CH2 3.69Å; I122-W318 HydrophobicContact CG2-CZ2 3.8Å; I122-L361 HydrophobicContact CD1-CD1 4.14Å; I122-L361 HydrophobicContact CD1-CD2 3.76Å; I122-L361 HydrophobicContact CD1-CG 4.42Å; I122-I365 HydrophobicContact CD1-CD1 3.88Å; I122-I365 HydrophobicContact CG1-CD1 3.7Å
123G98.7Very high98.5Very high0 Ų041.7 Ų41.70%020%0.204CC..Hα-helixtrans-55.1-42173.400000112.4C119 D120 L126 N127 L128C119-G123 PolarHBondContact O-N 3.34Å; D120-G123 PolarHBondContact O-N 2.93Å; G123-L126 PolarHBondContact O-N 3.08Å; G123-N127 PolarHBondContact O-N 3.06Å; G123-N127 VanDerWaalsContact O-N 3.07Å; G123-L128 PolarHBondContact O-N 3.14Å
124K98.6Very high98.5Very high117 Ų11738.7 Ų38.751%0.50919%0.19SC..Hα-helixtrans-66.8-40.2173.6-71.3169.2-175175.70112.8D120 W121 I122 L126 N127 L133D120-K124 WeakPolarHBondContact O-CB 3.3Å; D120-K124 VanDerWaalsContact O-CG 3.22Å; D120-K124 WeakPolarHBondContact O-CG 3.34Å; D120-K124 PolarHBondContact O-N 2.83Å; W121-K124 PolarHBondContact O-N 3.33Å; I122-K124 VanDerWaalsContact C-N 3.26Å; I122-K124 PolarHBondContact O-N 3.4Å; K124-L126 VanDerWaalsContact C-N 3.32Å; K124-L126 PolarHBondContact O-N 3.31Å; K124-N127 PolarHBondContact O-N 3.14Å; K124-N127 VanDerWaalsContact O-N 3.13Å; K124-L133 HydrophobicContact CG-CD1 3.85Å
125L98.4Very high98.4Very high28 Ų2841.4 Ų41.415%0.14721%0.211CC..Hα-helixtrans-62.9-39.2175.7-73.8174.9000112.4W121 I122 N127 I283 R288 A370W121-L125 WeakPolarHBondContact O-CG 3.39Å; W121-L125 PolarHBondContact O-N 2.91Å; I122-L125 WeakPolarHBondContact O-CB 3.42Å; I122-L125 PolarHBondContact O-N 2.9Å; L125-N127 PolarHBondContact O-N 3.47Å; L125-I283 HydrophobicContact CB-CB 4.37Å; L125-I283 HydrophobicContact CB-CG2 3.97Å; L125-I283 WeakPolarHBondContact O-CA 3.39Å; L125-R288 PolarHBondContact O-NH2 3.23Å; L125-A370 HydrophobicContact CD2-CB 3.57Å
126L98.5Very high98.3Very high1 Ų143.2 Ų43.21%0.00522%0.224CC..Hα-helixtrans-73-16.3175.6-64.1171.7000112.9I122 G123 K124 L128 G279 F282 I283 I302 W318I122-L126 HydrophobicContact CG2-CD1 3.92Å; I122-L126 HydrophobicContact CG2-CG 4.18Å; I122-L126 VanDerWaalsContact O-CG 3.25Å; I122-L126 WeakPolarHBondContact O-CG 3.46Å; I122-L126 PolarHBondContact O-N 3.1Å; G123-L126 PolarHBondContact O-N 3.08Å; K124-L126 VanDerWaalsContact C-N 3.32Å; K124-L126 PolarHBondContact O-N 3.31Å; L126-L128 HydrophobicContact CB-CD2 4.3Å; L126-L128 HydrophobicContact CB-CG 3.95Å; L126-L128 HydrophobicContact CD1-CD1 4.17Å; L126-L128 HydrophobicContact CD1-CG 4.32Å; L126-G279 WeakPolarHBondContact CD2-O 3.23Å; L126-F282 HydrophobicContact CD2-CB 3.87Å; L126-I283 HydrophobicContact CD2-CG2 3.82Å; L126-I283 HydrophobicContact CG-CG2 4.46Å; L126-I302 HydrophobicContact CD1-CD1 3.91Å; L126-I302 HydrophobicContact CD1-CG2 4.4Å; L126-I302 HydrophobicContact CD2-CD1 4.19Å; L126-W318 HydrophobicContact CD1-CH2 3.7Å; L126-W318 HydrophobicContact CD1-CZ2 4.3Å; L126-W318 HydrophobicContact CD1-CZ3 4Å
127N98.2Very high98.2Very high105 Ų10544.9 Ų44.956%0.56125%0.249SC*.THydrogen-bonded Turntrans61.343.6-172-163.374.7000112.5G123 K124 L125G123-N127 PolarHBondContact O-N 3.06Å; G123-N127 VanDerWaalsContact O-N 3.07Å; K124-N127 PolarHBondContact O-N 3.14Å; K124-N127 VanDerWaalsContact O-N 3.13Å; L125-N127 PolarHBondContact O-N 3.47Å
128L98.6Very high98.2Very high12 Ų1244.9 Ų44.96%0.06325%0.249CC..  trans-68.2151.9172.2-63-178.3000110.8G123 L126 F132 I294 I300 W318G123-L128 PolarHBondContact O-N 3.14Å; L126-L128 HydrophobicContact CB-CD2 4.3Å; L126-L128 HydrophobicContact CB-CG 3.95Å; L126-L128 HydrophobicContact CD1-CD1 4.17Å; L126-L128 HydrophobicContact CD1-CG 4.32Å; L128-F132 HydrophobicContact CB-CB 4.25Å; L128-F132 HydrophobicContact CD1-CB 4.4Å; L128-I294 HydrophobicContact CD2-CG1 4.19Å; L128-I300 HydrophobicContact CD1-CG2 4.1Å; L128-I300 HydrophobicContact CD2-CD1 4.31Å; L128-I300 HydrophobicContact CD2-CG2 4.24Å; L128-W318 HydrophobicContact CD1-CB 4.36Å; L128-W318 HydrophobicContact CD1-CD2 3.72Å; L128-W318 HydrophobicContact CD1-CE3 3.98Å; L128-W318 HydrophobicContact CD1-CG 3.9Å
129P98.4Very high98.1Very high33 Ų3345 Ų4521%0.21425%0.25CC..  trans-52.7145.6172-25.331.5000112.5T131 F132 I294P129-T131 PolarHBondContact O-N 3.47Å; P129-T131 VanDerWaalsContact O-N 3.08Å; P129-F132 HydrophobicContact CB-CD2 3.97Å; P129-F132 HydrophobicContact CB-CE2 4.41Å; P129-F132 HydrophobicContact CG-CD2 3.95Å; P129-F132 HydrophobicContact CG-CE2 4.06Å; P129-F132 WeakPolarHBondContact O-CB 3.13Å; P129-F132 PolarHBondContact O-N 3.49Å; P129-I294 HydrophobicContact CG-CG2 4Å
130E98.2Very high98.1Very high158 Ų15845 Ų4574%0.73825%0.25SC*.G310 helixtrans-55.5-32.3-177.8-69-171.4165.700112.9F132 L133 S136E130-F132 PolarHBondContact O-N 3.14Å; E130-F132 VanDerWaalsContact O-N 3.1Å; E130-L133 WeakPolarHBondContact O-CB 3.34Å; E130-L133 PolarHBondContact O-N 3.29Å; E130-S136 VanDerWaalsContact O-CB 3.24Å; E130-S136 WeakPolarHBondContact O-CB 3.38Å; E130-S136 PolarHBondContact O-OG 3.5Å
131T98.1Very high98.1Very high55 Ų5544.5 Ų44.534%0.33725%0.247SC..G310 helixtrans-59.5-20.1176.953.50000113.9P129 G139P129-T131 PolarHBondContact O-N 3.47Å; P129-T131 VanDerWaalsContact O-N 3.08Å; T131-G139 WeakPolarHBondContact O-CA 3.37Å; T131-G139 PolarHBondContact O-N 3.38Å
132F98.7Very high98.1Very high1 Ų139.5 Ų39.50%0.00423%0.228CC..G310 helixtrans-85.2-12.9174.2-75.5-76.3000113.4L128 P129 E130 G140 A297 I300 W318 V319 R320L128-F132 HydrophobicContact CB-CB 4.25Å; L128-F132 HydrophobicContact CD1-CB 4.4Å; P129-F132 HydrophobicContact CB-CD2 3.97Å; P129-F132 HydrophobicContact CB-CE2 4.41Å; P129-F132 HydrophobicContact CG-CD2 3.95Å; P129-F132 HydrophobicContact CG-CE2 4.06Å; P129-F132 WeakPolarHBondContact O-CB 3.13Å; P129-F132 PolarHBondContact O-N 3.49Å; E130-F132 PolarHBondContact O-N 3.14Å; E130-F132 VanDerWaalsContact O-N 3.1Å; F132-G140 CarbonylContact O-C 3.52Å; F132-G140 WeakPolarHBondContact O-CA 3.43Å; F132-G140 PolarHBondContact O-N 3.16Å; F132-A297 HydrophobicContact CZ-CB 4.27Å; F132-A297 WeakPolarHBondContact CZ-O 3.47Å; F132-I300 HydrophobicContact CE1-CG2 4.32Å; F132-W318 HydrophobicContact CB-CB 4.04Å; F132-W318 HydrophobicContact CD1-CB 3.58Å; F132-W318 HydrophobicContact CE1-CB 4.44Å; F132-W318 HydrophobicContact CG-CB 4.2Å; F132-W318 VanDerWaalsContact O-CD1 3.31Å; F132-V319 VanDerWaalsContact CD1-C 3.44Å; F132-R320 HydrophobicContact CD1-CB 4.43Å; F132-R320 HydrophobicContact CE1-CB 4.02Å; F132-R320 HydrophobicContact CZ-CB 4.08Å
133L98.7Very high98.1Very high10 Ų1039.5 Ų39.55%0.05223%0.228CC..SBendtrans-88.9141.6-178.5-51.1-177.2000110.1D120 K124 E130 S135 S136D120-L133 WeakPolarHBondContact OD1-CA 3.33Å; K124-L133 HydrophobicContact CG-CD1 3.85Å; E130-L133 WeakPolarHBondContact O-CB 3.34Å; E130-L133 PolarHBondContact O-N 3.29Å; L133-S135 PolarHBondContact O-N 3.36Å; L133-S136 WeakPolarHBondContact O-CB 3.1Å; L133-S136 PolarHBondContact O-N 2.81Å; L133-S136 PolarHBondContact O-OG 2.82Å
134H98.3Very high98.1Very high27 Ų2739.7 Ų39.713%0.12523%0.229CC..G310 helixtrans-58.6-33.7172.7-71.6-76.3000111.3I116 D120 S136 G137 G141 L343 W348I116-H134 HydrophobicContact CG2-CB 3.73Å; D120-H134 WeakPolarHBondContact OD1-CB 3.48Å; D120-H134 IonicContact OD1-CD2 3.79Å; D120-H134 IonicContact OD1-CG 3.48Å; D120-H134 PolarHBondContact OD1-N 3.4Å; H134-S136 PolarHBondContact O-N 2.65Å; H134-G137 PolarHBondContact O-N 3.45Å; H134-G141 PolarHBondContact CE1-O 3.14Å; H134-G141 VanDerWaalsContact CE1-O 3.24Å; H134-G141 PolarHBondContact NE2-N 3.5Å; H134-G141 PolarHBondContact NE2-O 2.93Å; H134-L343 VanDerWaalsContact CE1-CD2 3.47Å; H134-L343 WeakPolarHBondContact CE1-CD2 3.47Å; H134-W348 AromaticContact CE1-CH2 3.58Å; H134-W348 AromaticContact CE1-CZ3 3.65Å; H134-W348 AromaticContact ND1-CH2 3.99Å
135S96.8Very high98.1Very high82 Ų8236 Ų3657%0.57322%0.218SC*.G310 helixtrans-58.4-16.5175.864.90000114.8D120 L133D120-S135 WeakPolarHBondContact OD2-CB 3.42Å; D120-S135 PolarHBondContact OD2-N 3.42Å; D120-S135 VanDerWaalsContact OD2-N 3.1Å; L133-S135 PolarHBondContact O-N 3.36Å
136S96.9Very high98.1Very high40 Ų4036.1 Ų36.128%0.2822%0.221SC..G310 helixtrans-77.9-22.1173.369.40000113.8E130 L133 H134 I138E130-S136 VanDerWaalsContact O-CB 3.24Å; E130-S136 WeakPolarHBondContact O-CB 3.38Å; E130-S136 PolarHBondContact O-OG 3.5Å; L133-S136 WeakPolarHBondContact O-CB 3.1Å; L133-S136 PolarHBondContact O-N 2.81Å; L133-S136 PolarHBondContact O-OG 2.82Å; H134-S136 PolarHBondContact O-N 2.65Å; S136-I138 PolarHBondContact O-N 2.93Å; S136-I138 PolarHBondContact OG-N 2.95Å; S136-I138 VanDerWaalsContact OG-N 3.16Å
137G96Very high98.1Very high67 Ų6736.5 Ų36.569%0.69123%0.225SC*.THydrogen-bonded Turntrans706.2-170.300000115H134H134-G137 PolarHBondContact O-N 3.45Å
138I97.2Very high98.1Very high89 Ų8933.8 Ų33.846%0.45621%0.214SC..SBendtrans-106.1-63.6-178.2-55174.1000110.3S136 R320 S322S136-I138 PolarHBondContact O-N 2.93Å; S136-I138 PolarHBondContact OG-N 2.95Å; S136-I138 VanDerWaalsContact OG-N 3.16Å; I138-R320 WeakPolarHBondContact CG2-O 3.4Å; I138-S322 WeakPolarHBondContact O-CB 3.21Å; I138-S322 PolarHBondContact O-N 3.36Å; I138-S322 PolarHBondContact O-OG 2.79Å
139G98.2Very high98.1Very high3 Ų335.7 Ų35.73%0.03122%0.224CC..  trans-104.5-155.4176.700000112.5T131 V319T131-G139 WeakPolarHBondContact O-CA 3.37Å; T131-G139 PolarHBondContact O-N 3.38Å; G139-V319 WeakPolarHBondContact CA-O 3.45Å
140G98.6Very high98.1Very high0 Ų034.1 Ų34.10%021%0.214CC..EExtended strand (participates in β ladder)trans164.6170177.900000113F132 W318 V319F132-G140 CarbonylContact O-C 3.52Å; F132-G140 WeakPolarHBondContact O-CA 3.43Å; F132-G140 PolarHBondContact O-N 3.16Å; G140-W318 WeakPolarHBondContact O-CA 3.42Å; G140-V319 PolarHBondContact N-O 2.86Å; G140-V319 VanDerWaalsContact N-O 3.08Å; G140-V319 PolarHBondContact O-N 3.01Å
141G98.6Very high98.2Very high0 Ų026.6 Ų26.60%018%0.179CC..EExtended strand (participates in β ladder)trans-104.7155.5175.100000114.2H134 M317 W318 F345H134-G141 PolarHBondContact CE1-O 3.14Å; H134-G141 VanDerWaalsContact CE1-O 3.24Å; H134-G141 PolarHBondContact NE2-N 3.5Å; H134-G141 PolarHBondContact NE2-O 2.93Å; G141-M317 CarbonylContact C-O 3.57Å; G141-M317 VanDerWaalsContact CA-O 3.23Å; G141-M317 WeakPolarHBondContact CA-O 3.49Å; G141-W318 VanDerWaalsContact CA-CD1 3.43Å; G141-F345 WeakPolarHBondContact O-CE1 3.48Å
142V98.6Very high98.2Very high1 Ų125.9 Ų25.91%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-143.9146.6175.657.90000110.2M317 F345 W348V142-M317 HydrophobicContact CG1-CB 4.22Å; V142-M317 HydrophobicContact CG1-CE 3.76Å; V142-M317 PolarHBondContact N-O 2.8Å; V142-M317 PolarHBondContact O-N 3.44Å; V142-F345 HydrophobicContact CB-CD1 4.01Å; V142-F345 HydrophobicContact CB-CE1 3.95Å; V142-F345 HydrophobicContact CG2-CD1 3.61Å; V142-F345 HydrophobicContact CG2-CE1 4.02Å; V142-F345 HydrophobicContact CG2-CG 4.39Å; V142-W348 HydrophobicContact CB-CB 4.43Å; V142-W348 HydrophobicContact CB-CE3 3.85Å; V142-W348 HydrophobicContact CG1-CB 4.39Å; V142-W348 HydrophobicContact CG1-CE3 4.05Å; V142-W348 HydrophobicContact CG2-CB 4.15Å
143I98.5Very high98.2Very high0 Ų025.8 Ų25.80%017%0.171CC..EExtended strand (participates in β ladder)trans-92.1112.5176-53.2168.5000110E115 S315 L316 R354 R357 A358 L361E115-I143 HydrophobicContact CG-CD1 3.73Å; E115-I143 HydrophobicContact CG-CG1 3.84Å; E115-I143 PolarHBondContact OE1-N 3.03Å; I143-S315 CarbonylContact C-O 3.46Å; I143-S315 VanDerWaalsContact CA-O 3.3Å; I143-S315 WeakPolarHBondContact CA-O 3.17Å; I143-L316 HydrophobicContact CG1-CD2 3.63Å; I143-R354 PolarHBondContact O-NH2 3.06Å; I143-R357 HydrophobicContact CB-CB 4.39Å; I143-R357 HydrophobicContact CD1-CB 3.97Å; I143-R357 HydrophobicContact CG2-CB 3.88Å; I143-R357 VanDerWaalsContact CG2-CD 3.45Å; I143-R357 HydrophobicContact CG2-CG 4.33Å; I143-A358 HydrophobicContact CD1-CB 3.88Å; I143-L361 HydrophobicContact CD1-CD1 3.61Å; I143-L361 HydrophobicContact CG1-CD1 4.17Å
144Q98.3Very high98.2Very high5 Ų525.4 Ų25.42%0.02317%0.169CC..EExtended strand (participates in β ladder)trans-93.2171.5168.1-52.6-62.1-2.300111.7D149 C150 S315 W348Q144-D149 HydrophobicContact CB-CB 3.98Å; Q144-D149 HydrophobicContact CG-CB 4.43Å; Q144-C150 VanDerWaalsContact CG-SG 3.53Å; Q144-S315 PolarHBondContact N-O 3.47Å; Q144-S315 PolarHBondContact O-N 2.71Å; Q144-W348 PolarHBondContact NE2-O 3.25Å
145S97.8Very high98.2Very high38 Ų3824.2 Ų24.227%0.26616%0.163SC..SBendtrans-74.9-37.1176.1-48.20000111.9D149 D313 R357S145-D149 WeakPolarHBondContact CB-OD2 3.5Å; S145-D313 WeakPolarHBondContact CA-OD2 3.27Å; S145-D313 WeakPolarHBondContact CB-OD2 3.31Å; S145-D313 WeakPolarHBondContact O-CB 3.28Å; S145-D313 PolarHBondContact OG-OD2 3.16Å; S145-R357 PolarHBondContact OG-NH2 3.4Å
146S98.5Very high98.3Very high32 Ų3221.2 Ų21.222%0.22414%0.141CC..  trans-147.7162.2-176.572.90000113S148 D149 C150 S315S146-S148 PolarHBondContact O-N 3.03Å; S146-S148 WeakPolarHBondContact OG-CB 3.4Å; S146-S148 PolarHBondContact OG-N 2.86Å; S146-D149 WeakPolarHBondContact CB-OD2 3.47Å; S146-D149 PolarHBondContact N-OD2 2.91Å; S146-D149 WeakPolarHBondContact O-CB 3.05Å; S146-D149 PolarHBondContact O-N 2.87Å; S146-D149 VanDerWaalsContact O-N 3.1Å; S146-D149 VanDerWaalsContact OG-CG 3.25Å; S146-D149 PolarHBondContact OG-N 3.28Å; S146-D149 VanDerWaalsContact OG-N 3.16Å; S146-D149 PolarHBondContact OG-OD2 3Å; S146-C150 PolarHBondContact O-N 3.48Å; S146-C150 PolarHBondContact O-SG 2.97Å; S146-S315 VanDerWaalsContact C-CB 3.46Å
147A98.6Very high98.3Very high9 Ų919.3 Ų19.37%0.07413%0.127CC..Hα-helixtrans-60.9-30170.800000111.7D149 C150 I151 A276 N301 S315A147-D149 VanDerWaalsContact C-N 3.32Å; A147-D149 PolarHBondContact O-N 2.91Å; A147-C150 WeakPolarHBondContact O-CB 3.39Å; A147-C150 PolarHBondContact O-N 3.25Å; A147-I151 VanDerWaalsContact O-CG1 3.3Å; A147-I151 WeakPolarHBondContact O-CG1 3.49Å; A147-I151 PolarHBondContact O-N 3.39Å; A147-A276 HydrophobicContact CB-CB 3.83Å; A147-N301 WeakPolarHBondContact CB-ND2 3.13Å; A147-S315 PolarHBondContact N-OG 3.47Å
148S98.7Very high98.5Very high47 Ų4716.3 Ų16.333%0.32910%0.096SC..Hα-helixtrans-62.4-39.8174.2-51.10000111.8S146 F152 A197S146-S148 PolarHBondContact O-N 3.03Å; S146-S148 WeakPolarHBondContact OG-CB 3.4Å; S146-S148 PolarHBondContact OG-N 2.86Å; S148-F152 VanDerWaalsContact O-CB 3.28Å; S148-F152 WeakPolarHBondContact O-CB 3.22Å; S148-F152 PolarHBondContact O-N 2.8Å; S148-A197 WeakPolarHBondContact OG-CB 3.43Å
149D98.4Very high98.5Very high53 Ų5314.8 Ų14.828%0.2838%0.084SC..Hα-helixtrans-66-42174.4-56.4-55.6000110.6Q144 S145 S146 A147 F152 V153Q144-D149 HydrophobicContact CB-CB 3.98Å; Q144-D149 HydrophobicContact CG-CB 4.43Å; S145-D149 WeakPolarHBondContact CB-OD2 3.5Å; S146-D149 WeakPolarHBondContact CB-OD2 3.47Å; S146-D149 PolarHBondContact N-OD2 2.91Å; S146-D149 WeakPolarHBondContact O-CB 3.05Å; S146-D149 PolarHBondContact O-N 2.87Å; S146-D149 VanDerWaalsContact O-N 3.1Å; S146-D149 VanDerWaalsContact OG-CG 3.25Å; S146-D149 PolarHBondContact OG-N 3.28Å; S146-D149 VanDerWaalsContact OG-N 3.16Å; S146-D149 PolarHBondContact OG-OD2 3Å; A147-D149 VanDerWaalsContact C-N 3.32Å; A147-D149 PolarHBondContact O-N 2.91Å; D149-F152 PolarHBondContact O-N 3.32Å; D149-V153 VanDerWaalsContact O-CB 3.27Å; D149-V153 WeakPolarHBondContact O-CB 3.5Å; D149-V153 WeakPolarHBondContact O-CG2 3.37Å; D149-V153 PolarHBondContact O-N 2.95Å
150C98.8Very high98.5Very high0 Ų017.1 Ų17.10%09%0.094CC..Hα-helixtrans-57.7-53176.4-57.90000111.6Q144 S146 A147 F152 V153 S154 N301 S315 M317Q144-C150 VanDerWaalsContact CG-SG 3.53Å; S146-C150 PolarHBondContact O-N 3.48Å; S146-C150 PolarHBondContact O-SG 2.97Å; A147-C150 WeakPolarHBondContact O-CB 3.39Å; A147-C150 PolarHBondContact O-N 3.25Å; C150-F152 VanDerWaalsContact C-N 3.32Å; C150-F152 PolarHBondContact O-N 3.43Å; C150-V153 PolarHBondContact O-N 2.64Å; C150-S154 WeakPolarHBondContact O-CB 3.25Å; C150-S154 PolarHBondContact O-N 3.18Å; C150-S154 PolarHBondContact O-OG 3.17Å; C150-N301 HydrophobicContact CB-CB 3.63Å; C150-S315 PolarHBondContact SG-OG 2.74Å; C150-M317 HydrophobicContact CB-CB 4.11Å; C150-M317 HydrophobicContact CB-CG 4.21Å; C150-M317 HydrophobicContact CB-SD 3.94Å
151I98.9Very high98.4Very high0 Ų019.5 Ų19.50%011%0.105CC..Hα-helixtrans-60.7-41.7179.4-67.4162.2000111A147 S154 M155 A197 V198 A201 Y241 H272 D274A147-I151 VanDerWaalsContact O-CG1 3.3Å; A147-I151 WeakPolarHBondContact O-CG1 3.49Å; A147-I151 PolarHBondContact O-N 3.39Å; I151-S154 WeakPolarHBondContact CA-OG 3.49Å; I151-S154 PolarHBondContact O-OG 3.22Å; I151-M155 WeakPolarHBondContact O-CB 3.07Å; I151-M155 PolarHBondContact O-N 3.1Å; I151-A197 HydrophobicContact CD1-CB 3.91Å; I151-V198 HydrophobicContact CD1-CG2 4.11Å; I151-V198 HydrophobicContact CG2-CG2 4.16Å; I151-A201 HydrophobicContact CG2-CB 3.9Å; I151-Y241 PolarHBondContact O-OH 2.86Å; I151-H272 WeakPolarHBondContact CG1-NE2 3.2Å; I151-D274 HydrophobicContact CD1-CB 4.35Å
152F98.7Very high98.4Very high39 Ų3919.7 Ų19.717%0.17111%0.107CC..Hα-helixtrans-68.2-46-180-177.8-130.3000111.7S148 D149 C150 M155 L156 A201 L204 I350S148-F152 VanDerWaalsContact O-CB 3.28Å; S148-F152 WeakPolarHBondContact O-CB 3.22Å; S148-F152 PolarHBondContact O-N 2.8Å; D149-F152 PolarHBondContact O-N 3.32Å; C150-F152 VanDerWaalsContact C-N 3.32Å; C150-F152 PolarHBondContact O-N 3.43Å; F152-M155 PolarHBondContact O-N 3.37Å; F152-L156 HydrophobicContact CD1-CD1 4.13Å; F152-L156 HydrophobicContact CD2-CD1 4.29Å; F152-L156 HydrophobicContact CD2-CG 4.18Å; F152-L156 HydrophobicContact CE1-CD1 3.68Å; F152-L156 HydrophobicContact CE2-CD1 3.85Å; F152-L156 HydrophobicContact CE2-CD2 4.01Å; F152-L156 HydrophobicContact CE2-CG 3.87Å; F152-L156 HydrophobicContact CG-CD1 4.43Å; F152-L156 HydrophobicContact CZ-CD1 3.53Å; F152-L156 HydrophobicContact CZ-CD2 4.26Å; F152-L156 HydrophobicContact CZ-CG 4.08Å; F152-L156 WeakPolarHBondContact O-CG 3.21Å; F152-L156 PolarHBondContact O-N 3.29Å; F152-A201 HydrophobicContact CB-CB 4.17Å; F152-A201 HydrophobicContact CD2-CB 4.11Å; F152-L204 HydrophobicContact CD2-CB 4.35Å; F152-L204 HydrophobicContact CE2-CB 3.67Å; F152-L204 HydrophobicContact CZ-CB 3.98Å; F152-I350 HydrophobicContact CD1-CD1 4.14Å; F152-I350 HydrophobicContact CD1-CG1 4.18Å; F152-I350 HydrophobicContact CE1-CD1 3.93Å; F152-I350 HydrophobicContact CE1-CG1 4.23Å
153V98.5Very high98.3Very high0 Ų019.8 Ų19.80%011%0.107CC..Hα-helixtrans-63.2-43.5178.5169.30000111.3D149 C150 L156 A157 M317 L325 M329 I350D149-V153 VanDerWaalsContact O-CB 3.27Å; D149-V153 WeakPolarHBondContact O-CB 3.5Å; D149-V153 WeakPolarHBondContact O-CG2 3.37Å; D149-V153 PolarHBondContact O-N 2.95Å; C150-V153 PolarHBondContact O-N 2.64Å; V153-L156 PolarHBondContact O-N 3.3Å; V153-A157 PolarHBondContact O-N 2.81Å; V153-M317 HydrophobicContact CB-CE 4.45Å; V153-M317 HydrophobicContact CG1-CE 3.8Å; V153-M317 HydrophobicContact CG1-SD 4.47Å; V153-L325 HydrophobicContact CG1-CD1 3.38Å; V153-M329 HydrophobicContact CB-CE 4.3Å; V153-M329 HydrophobicContact CG1-CE 4Å; V153-M329 HydrophobicContact CG2-CE 4.19Å; V153-I350 HydrophobicContact CG2-CD1 4.17Å; V153-I350 HydrophobicContact CG2-CG1 4.08Å
154S98.7Very high98.1Very high1 Ų123.6 Ų23.61%0.00713%0.125CC..Hα-helixtrans-65.4-38.4175.655.70000112.4C150 I151 A157 A158 Y241 H272C150-S154 WeakPolarHBondContact O-CB 3.25Å; C150-S154 PolarHBondContact O-N 3.18Å; C150-S154 PolarHBondContact O-OG 3.17Å; I151-S154 WeakPolarHBondContact CA-OG 3.49Å; I151-S154 PolarHBondContact O-OG 3.22Å; S154-A157 PolarHBondContact O-N 2.97Å; S154-A158 WeakPolarHBondContact O-CB 3.5Å; S154-A158 PolarHBondContact O-N 3.37Å; S154-Y241 PolarHBondContact OG-OH 3.3Å; S154-H272 PolarHBondContact OG-ND1 3.28Å
155M98.8Very high98Very high2 Ų227.2 Ų27.21%0.0114%0.139CC..Hα-helixtrans-65.3-40175.7-173.9-178.9-67.600111.8I151 F152 A158 R159 V198 A201 V207 F240 Y241I151-M155 WeakPolarHBondContact O-CB 3.07Å; I151-M155 PolarHBondContact O-N 3.1Å; F152-M155 PolarHBondContact O-N 3.37Å; M155-A158 PolarHBondContact O-N 2.95Å; M155-R159 VanDerWaalsContact O-CB 3.23Å; M155-R159 WeakPolarHBondContact O-CB 3.31Å; M155-R159 PolarHBondContact O-N 2.84Å; M155-V198 HydrophobicContact CE-CG1 4.38Å; M155-A201 HydrophobicContact CE-CB 3.76Å; M155-A201 VanDerWaalsContact SD-C 3.54Å; M155-A201 HydrophobicContact SD-CB 3.96Å; M155-V207 HydrophobicContact CG-CG2 4.49Å; M155-V207 HydrophobicContact SD-CG2 3.66Å; M155-F240 HydrophobicContact CG-CE2 4.27Å; M155-F240 HydrophobicContact CG-CZ 4.16Å; M155-Y241 HydrophobicContact CB-CD2 4.45Å; M155-Y241 HydrophobicContact CB-CE1 4.37Å; M155-Y241 HydrophobicContact CB-CE2 4.15Å; M155-Y241 HydrophobicContact CE-CD1 3.98Å; M155-Y241 HydrophobicContact CE-CE1 3.84Å; M155-Y241 HydrophobicContact CG-CD1 4.47Å; M155-Y241 HydrophobicContact CG-CG 4.47Å
156L98.4Very high97.8Very high20 Ų2028.4 Ų28.411%0.10514%0.138CC..Hα-helixtrans-66.1-39175.4-71.7178.4000112.3F152 V153 R159 H160 M329 I350F152-L156 HydrophobicContact CD1-CD1 4.13Å; F152-L156 HydrophobicContact CD2-CD1 4.29Å; F152-L156 HydrophobicContact CD2-CG 4.18Å; F152-L156 HydrophobicContact CE1-CD1 3.68Å; F152-L156 HydrophobicContact CE2-CD1 3.85Å; F152-L156 HydrophobicContact CE2-CD2 4.01Å; F152-L156 HydrophobicContact CE2-CG 3.87Å; F152-L156 HydrophobicContact CG-CD1 4.43Å; F152-L156 HydrophobicContact CZ-CD1 3.53Å; F152-L156 HydrophobicContact CZ-CD2 4.26Å; F152-L156 HydrophobicContact CZ-CG 4.08Å; F152-L156 WeakPolarHBondContact O-CG 3.21Å; F152-L156 PolarHBondContact O-N 3.29Å; V153-L156 PolarHBondContact O-N 3.3Å; L156-R159 PolarHBondContact O-N 3.22Å; L156-H160 WeakPolarHBondContact O-CB 3.45Å; L156-H160 PolarHBondContact O-N 3.29Å; L156-M329 HydrophobicContact CB-CE 3.74Å; L156-M329 HydrophobicContact CD1-CE 3.66Å; L156-M329 HydrophobicContact CG-CE 4.37Å; L156-I350 HydrophobicContact CD1-CD1 3.91Å
157A98.5Very high97.5Very high0 Ų030.3 Ų30.30%014%0.142CC..Hα-helixtrans-62.2-47.5173.800000111.8V153 S154 R159 H160 Q161 W270 L325 S328V153-A157 PolarHBondContact O-N 2.81Å; S154-A157 PolarHBondContact O-N 2.97Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 2.98Å; A157-H160 PolarHBondContact O-N 2.8Å; A157-Q161 PolarHBondContact O-N 3.42Å; A157-W270 HydrophobicContact CB-CH2 3.73Å; A157-W270 HydrophobicContact CB-CZ2 4.21Å; A157-W270 HydrophobicContact CB-CZ3 4.09Å; A157-L325 HydrophobicContact CB-CD1 4.24Å; A157-S328 WeakPolarHBondContact CA-OG 3.47Å
158A98.6Very high97Very high3 Ų335.6 Ų35.63%0.02517%0.165CC..Hα-helixtrans-60.7-42175.300000112.5S154 M155 Q161 A162 F240 Y241 W270S154-A158 WeakPolarHBondContact O-CB 3.5Å; S154-A158 PolarHBondContact O-N 3.37Å; M155-A158 PolarHBondContact O-N 2.95Å; A158-Q161 PolarHBondContact O-N 3.22Å; A158-A162 WeakPolarHBondContact O-CB 3.45Å; A158-A162 PolarHBondContact O-N 3.37Å; A158-F240 HydrophobicContact CB-CD2 3.89Å; A158-F240 HydrophobicContact CB-CE2 4.06Å; A158-Y241 HydrophobicContact CB-CD2 3.58Å; A158-Y241 HydrophobicContact CB-CE2 4.35Å; A158-Y241 HydrophobicContact CB-CG 4.45Å; A158-W270 HydrophobicContact CB-CB 3.44Å; A158-W270 VanDerWaalsContact CB-CB 3.44Å; A158-W270 HydrophobicContact CB-CD2 3.71Å; A158-W270 HydrophobicContact CB-CE3 3.94Å; A158-W270 HydrophobicContact CB-CG 3.52Å
159R98.1Very high96.4Very high58 Ų5838 Ų3822%0.21917%0.174CC..Hα-helixtrans-61.2-49177.6-173-169.875.9169.32.9111M155 L156 A157 Q161 A162 I163 L183 L186 G205 V207 F240M155-R159 VanDerWaalsContact O-CB 3.23Å; M155-R159 WeakPolarHBondContact O-CB 3.31Å; M155-R159 PolarHBondContact O-N 2.84Å; L156-R159 PolarHBondContact O-N 3.22Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 2.98Å; R159-Q161 PolarHBondContact O-N 2.68Å; R159-A162 PolarHBondContact O-N 3.16Å; R159-I163 HydrophobicContact CG-CD1 3.95Å; R159-I163 WeakPolarHBondContact O-CG1 3.36Å; R159-I163 PolarHBondContact O-N 3.36Å; R159-L183 HydrophobicContact CG-CD1 4.12Å; R159-L186 HydrophobicContact CB-CD1 4.43Å; R159-L186 HydrophobicContact CG-CD1 3.61Å; R159-G205 PolarHBondContact NH1-O 2.85Å; R159-V207 HydrophobicContact CG-CG1 4.3Å; R159-F240 HydrophobicContact CB-CE2 3.98Å
160H97.5Very high95.6Very high52 Ų5236.3 Ų36.324%0.24117%0.165CC..Hα-helixtrans-59.4-46.4176.8176.474.3000111.2L156 A157 A162 I163 E164L156-H160 WeakPolarHBondContact O-CB 3.45Å; L156-H160 PolarHBondContact O-N 3.29Å; A157-H160 PolarHBondContact O-N 2.8Å; H160-A162 VanDerWaalsContact C-N 3.32Å; H160-A162 PolarHBondContact O-N 2.83Å; H160-I163 PolarHBondContact O-N 3.45Å; H160-E164 IonicContact CE1-OE1 2.66Å; H160-E164 WeakPolarHBondContact O-CG 3.16Å; H160-E164 PolarHBondContact O-N 3.45Å
161Q97Very high94.4Very high49 Ų4941.7 Ų41.723%0.22919%0.193CC..Hα-helixtrans-59.9-41.3176.8-172.9-178.416.600112.4A157 A158 R159 R165 W270 W298A157-Q161 PolarHBondContact O-N 3.42Å; A158-Q161 PolarHBondContact O-N 3.22Å; R159-Q161 PolarHBondContact O-N 2.68Å; Q161-R165 WeakPolarHBondContact O-CB 3.26Å; Q161-R165 PolarHBondContact O-N 3.39Å; Q161-W270 VanDerWaalsContact OE1-CE3 3.31Å; Q161-W298 VanDerWaalsContact NE2-CH2 3.29Å
162A97.5Very high93.1Very high4 Ų450.4 Ų50.43%0.03324%0.236CC..Hα-helixtrans-66.9-43.3176.800000111.9A158 R159 H160 E164 R165 Y166 L186 F240A158-A162 WeakPolarHBondContact O-CB 3.45Å; A158-A162 PolarHBondContact O-N 3.37Å; R159-A162 PolarHBondContact O-N 3.16Å; H160-A162 VanDerWaalsContact C-N 3.32Å; H160-A162 PolarHBondContact O-N 2.83Å; A162-E164 PolarHBondContact O-N 2.91Å; A162-R165 PolarHBondContact O-N 2.97Å; A162-Y166 VanDerWaalsContact O-CD2 3.25Å; A162-Y166 WeakPolarHBondContact O-CD2 3.48Å; A162-Y166 PolarHBondContact O-N 2.85Å; A162-L186 HydrophobicContact CB-CD1 4.44Å; A162-L186 HydrophobicContact CB-CD2 3.75Å; A162-F240 HydrophobicContact CB-CB 3.79Å; A162-F240 HydrophobicContact CB-CD2 4.45Å; A162-F240 HydrophobicContact CB-CG 4.4Å
163I96.7Very high91.9Very high3 Ų354.4 Ų54.42%0.01526%0.258CS..Hα-helixtrans-56.6-52.5174.6-73.4162.7000110.5R159 H160 R165 Y166 K167 E179 V182 L186R159-I163 HydrophobicContact CG-CD1 3.95Å; R159-I163 WeakPolarHBondContact O-CG1 3.36Å; R159-I163 PolarHBondContact O-N 3.36Å; H160-I163 PolarHBondContact O-N 3.45Å; I163-R165 PolarHBondContact O-N 3.06Å; I163-Y166 PolarHBondContact O-N 3.48Å; I163-K167 HydrophobicContact CG2-CD 4.43Å; I163-K167 VanDerWaalsContact O-CB 3.23Å; I163-K167 WeakPolarHBondContact O-CB 3.22Å; I163-K167 WeakPolarHBondContact O-CG 3.33Å; I163-K167 PolarHBondContact O-N 2.98Å; I163-E179 HydrophobicContact CD1-CG 3.98Å; I163-E179 HydrophobicContact CG1-CG 4.35Å; I163-E179 HydrophobicContact CG2-CB 4.04Å; I163-E179 HydrophobicContact CG2-CG 3.65Å; I163-V182 HydrophobicContact CG1-CB 4.45Å; I163-V182 HydrophobicContact CG1-CG1 4.15Å; I163-L186 HydrophobicContact CG1-CD1 4.49Å
164E95.4Very high90.5Very high80 Ų8056.5 Ų56.537%0.37427%0.273SS..Hα-helixtrans-58-38.4178.1-69.8-57124.100112.3H160 A162 K167H160-E164 IonicContact CE1-OE1 2.66Å; H160-E164 WeakPolarHBondContact O-CG 3.16Å; H160-E164 PolarHBondContact O-N 3.45Å; A162-E164 PolarHBondContact O-N 2.91Å; E164-K167 WeakPolarHBondContact OE1-CE 3.43Å; E164-K167 IonicContact OE1-NZ 2.75Å; E164-K167 PolarHBondContact OE1-NZ 2.79Å; E164-K167 WeakPolarHBondContact OE2-CE 3.43Å; E164-K167 IonicContact OE2-NZ 2.8Å; E164-K167 PolarHBondContact OE2-NZ 2.82Å
165R94.9Very high89.7Confident82 Ų8265.1 Ų65.131%0.30932%0.319SS..Hα-helixtrans-69.1-36.8179-175.3-177.3-67.3160.5-3.6113.2Q161 A162 I163 H168 D268Q161-R165 WeakPolarHBondContact O-CB 3.26Å; Q161-R165 PolarHBondContact O-N 3.39Å; A162-R165 PolarHBondContact O-N 2.97Å; I163-R165 PolarHBondContact O-N 3.06Å; R165-H168 PolarHBondContact O-CE1 2.91Å; R165-H168 PolarHBondContact O-ND1 3.4Å; R165-H168 VanDerWaalsContact O-ND1 3.1Å; R165-D268 VanDerWaalsContact NH1-CB 3.25Å; R165-D268 PolarHBondContact NH1-O 3.36Å
166Y94.3Very high88.9Confident63 Ų6369.9 Ų69.925%0.24734%0.344CS..Hα-helixtrans-107.2-17.3-170.6-70.7-81000114.4A162 I163 H168 L169 I238A162-Y166 VanDerWaalsContact O-CD2 3.25Å; A162-Y166 WeakPolarHBondContact O-CD2 3.48Å; A162-Y166 PolarHBondContact O-N 2.85Å; I163-Y166 PolarHBondContact O-N 3.48Å; Y166-H168 VanDerWaalsContact C-N 3.29Å; Y166-H168 PolarHBondContact O-N 2.82Å; Y166-L169 HydrophobicContact CD1-CD1 3.86Å; Y166-L169 HydrophobicContact CE1-CD1 4.45Å; Y166-L169 WeakPolarHBondContact O-CB 3.39Å; Y166-L169 PolarHBondContact O-N 3.45Å; Y166-I238 HydrophobicContact CD1-CD1 4.12Å; Y166-I238 HydrophobicContact CD2-CD1 4.29Å; Y166-I238 HydrophobicContact CD2-CG2 3.67Å; Y166-I238 HydrophobicContact CE1-CG2 4.42Å; Y166-I238 HydrophobicContact CE2-CG2 3.39Å; Y166-I238 HydrophobicContact CG-CD1 3.95Å; Y166-I238 HydrophobicContact CG-CG2 4.33Å
167K92.4Very high88.5Confident71 Ų7173 Ų7331%0.30936%0.36SS..G310 helixtrans-58.9-39-174.767.1-177.1-176.2-176.90113I163 E164 L169 L170 D171 P178 V182I163-K167 HydrophobicContact CG2-CD 4.43Å; I163-K167 VanDerWaalsContact O-CB 3.23Å; I163-K167 WeakPolarHBondContact O-CB 3.22Å; I163-K167 WeakPolarHBondContact O-CG 3.33Å; I163-K167 PolarHBondContact O-N 2.98Å; E164-K167 WeakPolarHBondContact OE1-CE 3.43Å; E164-K167 IonicContact OE1-NZ 2.75Å; E164-K167 PolarHBondContact OE1-NZ 2.79Å; E164-K167 WeakPolarHBondContact OE2-CE 3.43Å; E164-K167 IonicContact OE2-NZ 2.8Å; E164-K167 PolarHBondContact OE2-NZ 2.82Å; K167-L169 PolarHBondContact O-N 2.92Å; K167-L170 PolarHBondContact O-N 3.34Å; K167-D171 PolarHBondContact O-N 3.07Å; K167-P178 HydrophobicContact CB-CB 4.09Å; K167-V182 HydrophobicContact CB-CG2 4.44Å
168H89Confident88.1Confident120 Ų12074.1 Ų74.156%0.55637%0.368SS*.G310 helixtrans-66.3-22.9-179.669.6-92.8000113.5R165 Y166 L170R165-H168 PolarHBondContact O-CE1 2.91Å; R165-H168 PolarHBondContact O-ND1 3.4Å; R165-H168 VanDerWaalsContact O-ND1 3.1Å; Y166-H168 VanDerWaalsContact C-N 3.29Å; Y166-H168 PolarHBondContact O-N 2.82Å; H168-L170 PolarHBondContact O-N 2.66Å
169L85.7Confident87.8Confident98 Ų9877.9 Ų77.951%0.51339%0.385SS..G310 helixtrans-76.5-16.1176.1-60.7174.7000112.2Y166 K167 I173Y166-L169 HydrophobicContact CD1-CD1 3.86Å; Y166-L169 HydrophobicContact CE1-CD1 4.45Å; Y166-L169 WeakPolarHBondContact O-CB 3.39Å; Y166-L169 PolarHBondContact O-N 3.45Å; K167-L169 PolarHBondContact O-N 2.92Å; L169-I173 VanDerWaalsContact O-CD1 3.27Å; L169-I173 WeakPolarHBondContact O-CD1 3.49Å
170L80.9Confident87.6Confident18 Ų1880 Ų809%0.09440%0.4CS..THydrogen-bonded Turntrans-111.1-8.4-176.4-56.9-176000113.3K167 H168 M172 I173 P178 M181 V182K167-L170 PolarHBondContact O-N 3.34Å; H168-L170 PolarHBondContact O-N 2.66Å; L170-M172 PolarHBondContact O-N 3.41Å; L170-I173 HydrophobicContact CD2-CD1 3.99Å; L170-I173 PolarHBondContact O-N 3.3Å; L170-P178 HydrophobicContact CB-CB 4.47Å; L170-M181 HydrophobicContact CD1-CB 3.68Å; L170-V182 HydrophobicContact CD1-CG2 3.7Å
171D75.1Confident87.4Confident112 Ų11279.4 Ų79.460%0.59940%0.397SS*.THydrogen-bonded Turntrans-57.6-21.3-175.1-150.926.8000113.8K167 P178K167-D171 PolarHBondContact O-N 3.07Å; D171-P178 HydrophobicContact CB-CG 4.47Å; D171-P178 WeakPolarHBondContact OD1-CG 3.46Å
172M69.9Low87.3Confident183 Ų18377.1 Ų77.190%0.90139%0.387SS*.THydrogen-bonded Turntrans-111.31.8-179.1-58.4-165.5-59.500114.4L170L170-M172 PolarHBondContact O-N 3.41Å
173I73.5Confident87.3Confident123 Ų12378.7 Ų78.763%0.63139%0.394SS*.THydrogen-bonded Turntrans-100.8-20.7-168.4-56.4-177.3000112L169 L170L169-I173 VanDerWaalsContact O-CD1 3.27Å; L169-I173 WeakPolarHBondContact O-CD1 3.49Å; L170-I173 HydrophobicContact CD2-CD1 3.99Å; L170-I173 PolarHBondContact O-N 3.3Å
174S70.3Confident87.2Confident44 Ų4481.4 Ų81.431%0.30841%0.413SS..  trans-153.3149.3-173.7-170.40000111.8L176S174-L176 PolarHBondContact O-N 3.22Å; S174-L176 WeakPolarHBondContact OG-CB 3.38Å; S174-L176 WeakPolarHBondContact OG-CG 3.23Å; S174-L176 PolarHBondContact OG-N 3.23Å
175D81.1Confident87.3Confident183 Ų18381.8 Ų81.898%0.97941%0.411SS*.SBendtrans-70.9-2.4167.3-58.2-38.4000112.6
176L82.3Confident87.4Confident102 Ų10277.9 Ų77.953%0.53440%0.397SS..SBendtrans-80.9147.9175.2-64.6171.4000111S174 P178 M181S174-L176 PolarHBondContact O-N 3.22Å; S174-L176 WeakPolarHBondContact OG-CB 3.38Å; S174-L176 WeakPolarHBondContact OG-CG 3.23Å; S174-L176 PolarHBondContact OG-N 3.23Å; L176-P178 WeakPolarHBondContact O-CD 3.25Å; L176-P178 VanDerWaalsContact O-N 3.13Å; L176-M181 HydrophobicContact CB-CG 3.92Å; L176-M181 HydrophobicContact CB-SD 4.06Å; L176-M181 HydrophobicContact CD1-SD 3.55Å; L176-M181 VanDerWaalsContact CD1-SD 3.55Å; L176-M181 HydrophobicContact CG-SD 4.47Å
177D89.5Confident87.7Confident84 Ų8475 Ų7545%0.44939%0.386SS..  trans-51.5117.8173.4-175.4-19.5000110.9E179 I180 M181D177-E179 PolarHBondContact O-N 3.29Å; D177-E179 VanDerWaalsContact O-N 3.16Å; D177-E179 WeakPolarHBondContact OD1-CB 3.38Å; D177-E179 PolarHBondContact OD1-N 2.97Å; D177-I180 HydrophobicContact CB-CB 4.2Å; D177-I180 HydrophobicContact CB-CD1 3.8Å; D177-I180 HydrophobicContact CB-CG1 3.85Å; D177-I180 WeakPolarHBondContact O-CB 3.4Å; D177-I180 PolarHBondContact O-N 3.41Å; D177-M181 PolarHBondContact O-N 3Å; D177-M181 VanDerWaalsContact O-N 3.08Å
178P91Very high88Confident25 Ų2571.7 Ų71.716%0.16237%0.371CS..Hα-helixtrans-55.8-31.6-179.6-26.534.8000113.4K167 L170 D171 L176 M181 V182K167-P178 HydrophobicContact CB-CB 4.09Å; L170-P178 HydrophobicContact CB-CB 4.47Å; D171-P178 HydrophobicContact CB-CG 4.47Å; D171-P178 WeakPolarHBondContact OD1-CG 3.46Å; L176-P178 WeakPolarHBondContact O-CD 3.25Å; L176-P178 VanDerWaalsContact O-N 3.13Å; P178-M181 PolarHBondContact O-N 2.63Å; P178-V182 WeakPolarHBondContact O-CG2 3.49Å; P178-V182 PolarHBondContact O-N 2.8Å
179E92.8Very high88.4Confident82 Ų8266 Ų6638%0.38335%0.345SS..Hα-helixtrans-64.5-46.1176.4173.7163.1178.600111.3I163 D177 M181 V182 L183I163-E179 HydrophobicContact CD1-CG 3.98Å; I163-E179 HydrophobicContact CG1-CG 4.35Å; I163-E179 HydrophobicContact CG2-CB 4.04Å; I163-E179 HydrophobicContact CG2-CG 3.65Å; D177-E179 PolarHBondContact O-N 3.29Å; D177-E179 VanDerWaalsContact O-N 3.16Å; D177-E179 WeakPolarHBondContact OD1-CB 3.38Å; D177-E179 PolarHBondContact OD1-N 2.97Å; E179-M181 VanDerWaalsContact C-N 3.28Å; E179-M181 PolarHBondContact O-N 3.49Å; E179-V182 PolarHBondContact O-N 3.5Å; E179-L183 VanDerWaalsContact O-CB 3.3Å; E179-L183 WeakPolarHBondContact O-CB 3.35Å; E179-L183 PolarHBondContact O-N 2.97Å
180I93Very high89.1Confident103 Ų10361.3 Ų61.353%0.52832%0.32SS..Hα-helixtrans-62.4-40.5177.3-62-180000110.2D177 L183 S184D177-I180 HydrophobicContact CB-CB 4.2Å; D177-I180 HydrophobicContact CB-CD1 3.8Å; D177-I180 HydrophobicContact CB-CG1 3.85Å; D177-I180 WeakPolarHBondContact O-CB 3.4Å; D177-I180 PolarHBondContact O-N 3.41Å; I180-L183 PolarHBondContact O-N 3.43Å; I180-S184 WeakPolarHBondContact O-CB 3.49Å; I180-S184 PolarHBondContact O-N 3.5Å
181M92.9Very high89.9Confident39 Ų3960.4 Ų60.419%0.19232%0.316CS..Hα-helixtrans-63.5-45178.6-70.7-62.6-69.600112.1L170 L176 D177 P178 E179 S184L170-M181 HydrophobicContact CD1-CB 3.68Å; L176-M181 HydrophobicContact CB-CG 3.92Å; L176-M181 HydrophobicContact CB-SD 4.06Å; L176-M181 HydrophobicContact CD1-SD 3.55Å; L176-M181 VanDerWaalsContact CD1-SD 3.55Å; L176-M181 HydrophobicContact CG-SD 4.47Å; D177-M181 PolarHBondContact O-N 3Å; D177-M181 VanDerWaalsContact O-N 3.08Å; P178-M181 PolarHBondContact O-N 2.63Å; E179-M181 VanDerWaalsContact C-N 3.28Å; E179-M181 PolarHBondContact O-N 3.49Å; M181-S184 PolarHBondContact O-OG 2.92Å
182V95.5Very high91Very high0 Ų061.6 Ų61.60%032%0.316CS..Hα-helixtrans-63.2-49.81741760000110.5I163 K167 L170 P178 E179 S184 R185 L186 I238I163-V182 HydrophobicContact CG1-CB 4.45Å; I163-V182 HydrophobicContact CG1-CG1 4.15Å; K167-V182 HydrophobicContact CB-CG2 4.44Å; L170-V182 HydrophobicContact CD1-CG2 3.7Å; P178-V182 WeakPolarHBondContact O-CG2 3.49Å; P178-V182 PolarHBondContact O-N 2.8Å; E179-V182 PolarHBondContact O-N 3.5Å; V182-S184 PolarHBondContact O-N 3.34Å; V182-R185 PolarHBondContact O-N 2.9Å; V182-L186 HydrophobicContact CG1-CD2 3.93Å; V182-L186 HydrophobicContact CG1-CG 4.28Å; V182-L186 WeakPolarHBondContact O-CG 3.37Å; V182-L186 PolarHBondContact O-N 3.3Å; V182-I238 HydrophobicContact CG1-CD1 4.21Å
183L96.5Very high92.3Very high38 Ų3853.6 Ų53.620%0.19928%0.276CS..Hα-helixtrans-52.3-43.8-178.9179.160.3000111.7R159 E179 I180 R185 L186 F206 V207R159-L183 HydrophobicContact CG-CD1 4.12Å; E179-L183 VanDerWaalsContact O-CB 3.3Å; E179-L183 WeakPolarHBondContact O-CB 3.35Å; E179-L183 PolarHBondContact O-N 2.97Å; I180-L183 PolarHBondContact O-N 3.43Å; L183-R185 PolarHBondContact O-N 3.07Å; L183-R185 VanDerWaalsContact O-N 3.13Å; L183-L186 HydrophobicContact CD1-CD1 4.2Å; L183-L186 PolarHBondContact O-N 3.41Å; L183-F206 HydrophobicContact CD2-CB 4.5Å; L183-V207 HydrophobicContact CD1-CG1 4.01Å
184S95.4Very high93.5Very high59 Ų5948.5 Ų48.541%0.41325%0.253SS..Hα-helixtrans-61.7-20.817978.90000114.1I180 M181 V182 K208I180-S184 WeakPolarHBondContact O-CB 3.49Å; I180-S184 PolarHBondContact O-N 3.5Å; M181-S184 PolarHBondContact O-OG 2.92Å; V182-S184 PolarHBondContact O-N 3.34Å; S184-K208 PolarHBondContact O-NZ 3.43Å
185R96.8Very high94.8Very high88 Ų8849.2 Ų49.233%0.33225%0.251SS..Hα-helixtrans-101.8-10.8-178-63179.9-174.9-172.61.6113.5V182 L183 L237 I238V182-R185 PolarHBondContact O-N 2.9Å; L183-R185 PolarHBondContact O-N 3.07Å; L183-R185 VanDerWaalsContact O-N 3.13Å; R185-L237 CarbonylContact O-C 3.59Å; R185-L237 WeakPolarHBondContact O-CA 3.37Å; R185-I238 HydrophobicContact CB-CD1 3.99Å; R185-I238 HydrophobicContact CB-CG1 4.08Å; R185-I238 PolarHBondContact O-N 3.13Å
186L98.6Very high95.6Very high0 Ų044.1 Ų44.10%023%0.23CC..EExtended strand (participates in β ladder)trans-66.1133.4-178.4-65.6-175.5000111.9R159 A162 I163 V182 L183 V207 K208 I238 F240R159-L186 HydrophobicContact CB-CD1 4.43Å; R159-L186 HydrophobicContact CG-CD1 3.61Å; A162-L186 HydrophobicContact CB-CD1 4.44Å; A162-L186 HydrophobicContact CB-CD2 3.75Å; I163-L186 HydrophobicContact CG1-CD1 4.49Å; V182-L186 HydrophobicContact CG1-CD2 3.93Å; V182-L186 HydrophobicContact CG1-CG 4.28Å; V182-L186 WeakPolarHBondContact O-CG 3.37Å; V182-L186 PolarHBondContact O-N 3.3Å; L183-L186 HydrophobicContact CD1-CD1 4.2Å; L183-L186 PolarHBondContact O-N 3.41Å; L186-V207 HydrophobicContact CB-CG1 4.09Å; L186-V207 HydrophobicContact CD1-CG1 4.27Å; L186-K208 PolarHBondContact O-N 2.94Å; L186-I238 WeakPolarHBondContact CA-O 3.25Å; L186-I238 HydrophobicContact CD2-CB 4.02Å; L186-I238 HydrophobicContact CD2-CG2 3.83Å; L186-F240 HydrophobicContact CB-CD1 3.65Å; L186-F240 HydrophobicContact CB-CE1 3.79Å; L186-F240 HydrophobicContact CB-CG 4.35Å; L186-F240 HydrophobicContact CD1-CD1 4.45Å; L186-F240 HydrophobicContact CD1-CG 4.43Å; L186-F240 HydrophobicContact CD2-CB 4.03Å; L186-F240 HydrophobicContact CD2-CD1 4.16Å; L186-F240 HydrophobicContact CD2-CG 4.1Å; L186-F240 HydrophobicContact CG-CD1 4.29Å
187V98.9Very high96.4Very high4 Ų439.5 Ų39.52%0.02421%0.206CC..EExtended strand (participates in β ladder)trans-130.3128.3173.860.40000111.6Y189 K208 R210 D232 L237 I238 P239 F240V187-Y189 HydrophobicContact CG1-CE2 4.16Å; V187-Y189 VanDerWaalsContact CG1-OH 3.31Å; V187-Y189 WeakPolarHBondContact CG1-OH 3.35Å; V187-Y189 HydrophobicContact CG2-CE1 4.47Å; V187-K208 WeakPolarHBondContact CA-O 3.27Å; V187-K208 HydrophobicContact CB-CB 4.22Å; V187-K208 HydrophobicContact CG2-CB 4.17Å; V187-R210 HydrophobicContact CG2-CB 4.14Å; V187-D232 HydrophobicContact CG1-CB 4.16Å; V187-L237 HydrophobicContact CB-CD1 4.4Å; V187-L237 HydrophobicContact CG1-CB 3.89Å; V187-L237 HydrophobicContact CG1-CD1 4.39Å; V187-I238 PolarHBondContact N-O 2.91Å; V187-P239 HydrophobicContact CG1-CG 4.38Å; V187-F240 WeakPolarHBondContact O-CD1 3.46Å; V187-F240 PolarHBondContact O-N 3.49Å; V187-F240 VanDerWaalsContact O-N 3.17Å
188A98.9Very high96.8Very high0 Ų035.6 Ų35.60%019%0.185CC..EExtended strand (participates in β ladder)trans-99.9158.4173.700000110.8K208 L209 R210 F240 Y241A188-K208 PolarHBondContact N-O 3.24Å; A188-L209 HydrophobicContact CB-CD1 4.04Å; A188-L209 WeakPolarHBondContact O-CA 3.23Å; A188-R210 PolarHBondContact O-N 3.42Å; A188-F240 HydrophobicContact CB-CE1 3.82Å; A188-F240 HydrophobicContact CB-CZ 4.11Å; A188-Y241 CarbonylContact C-O 3.56Å; A188-Y241 WeakPolarHBondContact CA-O 3.5Å; A188-Y241 HydrophobicContact CB-CD1 4.15Å
189Y98.9Very high97.2Very high0 Ų039.2 Ų39.20%020%0.2CC..EExtended strand (participates in β ladder)trans-128.8141.8-179.3-55.8-89.5000111.4V187 R210 L212 L225 A228 I229 D232 P239 Y241 V242 C243V187-Y189 HydrophobicContact CG1-CE2 4.16Å; V187-Y189 VanDerWaalsContact CG1-OH 3.31Å; V187-Y189 WeakPolarHBondContact CG1-OH 3.35Å; V187-Y189 HydrophobicContact CG2-CE1 4.47Å; Y189-R210 WeakPolarHBondContact CA-O 3.43Å; Y189-R210 HydrophobicContact CD1-CB 3.94Å; Y189-R210 HydrophobicContact CD1-CG 4.38Å; Y189-R210 HydrophobicContact CE1-CB 4.11Å; Y189-R210 HydrophobicContact CE1-CG 4.45Å; Y189-L212 HydrophobicContact CD1-CD1 4.48Å; Y189-L212 HydrophobicContact CD1-CD2 4.13Å; Y189-L212 HydrophobicContact CD1-CG 4.5Å; Y189-L225 HydrophobicContact CD1-CD1 4.03Å; Y189-L225 HydrophobicContact CD2-CD1 4.09Å; Y189-L225 HydrophobicContact CG-CD1 3.71Å; Y189-A228 HydrophobicContact CD1-CB 4.23Å; Y189-A228 HydrophobicContact CE1-CB 3.9Å; Y189-I229 HydrophobicContact CE1-CG1 4.44Å; Y189-I229 HydrophobicContact CE2-CG1 4.08Å; Y189-D232 WeakPolarHBondContact CE1-OD2 3.3Å; Y189-D232 VanDerWaalsContact CZ-OD2 3.25Å; Y189-D232 WeakPolarHBondContact OH-CB 3.29Å; Y189-D232 PolarHBondContact OH-OD2 3.48Å; Y189-P239 HydrophobicContact CE2-CB 3.75Å; Y189-P239 HydrophobicContact CE2-CG 4.35Å; Y189-P239 WeakPolarHBondContact OH-CG 3.4Å; Y189-Y241 WeakPolarHBondContact CD2-O 3.44Å; Y189-Y241 PolarHBondContact N-O 3.31Å; Y189-V242 HydrophobicContact CD2-CG2 3.94Å; Y189-V242 HydrophobicContact CG-CG2 4.31Å; Y189-V242 WeakPolarHBondContact O-CA 3.25Å; Y189-C243 PolarHBondContact O-N 3.33Å
190A98.8Very high97.5Very high0 Ų042 Ų420%021%0.211CC..EExtended strand (participates in β ladder)trans-155.6165.7172.100000110.8A194 V198 L209 R210 H211 L212 C243A190-A194 HydrophobicContact CB-CB 3.79Å; A190-V198 HydrophobicContact CB-CB 4.42Å; A190-V198 HydrophobicContact CB-CG1 3.75Å; A190-L209 HydrophobicContact CB-CD1 4.05Å; A190-R210 PolarHBondContact N-O 2.97Å; A190-H211 CarbonylContact O-C 3.45Å; A190-H211 WeakPolarHBondContact O-CA 3.22Å; A190-L212 PolarHBondContact O-N 2.67Å; A190-C243 HydrophobicContact CB-CB 4.19Å
191S98.5Very high97.7Very high0 Ų037.2 Ų37.20%019%0.187CC..EExtended strand (participates in β ladder)trans-60.4148.9171.9-175.70000110.9L193 A194 H211 V214 I220S191-L193 PolarHBondContact O-N 2.9Å; S191-L193 VanDerWaalsContact O-N 3.17Å; S191-L193 PolarHBondContact OG-N 3.47Å; S191-A194 VanDerWaalsContact O-CB 3.26Å; S191-A194 WeakPolarHBondContact O-CB 3.38Å; S191-A194 PolarHBondContact O-N 2.97Å; S191-H211 PolarHBondContact O-ND1 3.05Å; S191-V214 WeakPolarHBondContact OG-CG1 3.38Å; S191-I220 VanDerWaalsContact CB-CD1 3.47Å
192K97.5Very high98Very high136 Ų13635.7 Ų35.759%0.59118%0.18SC*.THydrogen-bonded Turntrans-57.6-18.7160.5-81.5-177.6-179.8-170.50112.7H211 L212K192-H211 HydrophobicContact CG-CB 3.69Å; K192-L212 WeakPolarHBondContact CG-O 3.31Å; K192-L212 PolarHBondContact N-O 2.77Å
193L97.5Very high98.1Very high15 Ų1540.3 Ų40.38%0.07921%0.208CC..THydrogen-bonded Turntrans-105.16.7176.7-57.7180000113.4S191 V214 F218 T248 A439S191-L193 PolarHBondContact O-N 2.9Å; S191-L193 VanDerWaalsContact O-N 3.17Å; S191-L193 PolarHBondContact OG-N 3.47Å; L193-V214 HydrophobicContact CD1-CG1 4.24Å; L193-V214 HydrophobicContact CD1-CG2 4.16Å; L193-V214 HydrophobicContact CG-CG1 4.31Å; L193-F218 HydrophobicContact CD1-CB 3.61Å; L193-F218 HydrophobicContact CD1-CD1 3.99Å; L193-F218 HydrophobicContact CD1-CG 4.19Å; L193-T248 HydrophobicContact CB-CG2 4.05Å; L193-A439 HydrophobicContact CD1-CB 4.27Å; L193-A439 HydrophobicContact CD2-CB 3.85Å
194A98.1Very high98.2Very high17 Ų1743 Ų4314%0.1422%0.222CC..SBendtrans-60.5150.5171.200000109.5A190 S191 V198A190-A194 HydrophobicContact CB-CB 3.79Å; S191-A194 VanDerWaalsContact O-CB 3.26Å; S191-A194 WeakPolarHBondContact O-CB 3.38Å; S191-A194 PolarHBondContact O-N 2.97Å; A194-V198 HydrophobicContact CB-CG2 4.12Å
195H98.3Very high98.3Very high59 Ų5940.2 Ų40.227%0.27320%0.203SC..  trans-62.5146178.3-175.1-101.4000110.5A197 V198 T249H195-A197 WeakPolarHBondContact ND1-CB 3.22Å; H195-A197 PolarHBondContact ND1-N 3.44Å; H195-A197 VanDerWaalsContact ND1-N 3.14Å; H195-A197 PolarHBondContact O-N 3.07Å; H195-V198 PolarHBondContact O-N 3.38Å; H195-T249 PolarHBondContact CD2-OG1 2.94Å; H195-T249 VanDerWaalsContact CD2-OG1 3.25Å
196S98Very high98.3Very high76 Ų7644 Ų4453%0.53122%0.222SC..Hα-helixtrans-57.5-15.1-179.856.90000114V198 E199 K200S196-V198 PolarHBondContact O-N 3.03Å; S196-E199 PolarHBondContact O-N 3.38Å; S196-K200 WeakPolarHBondContact O-CB 3.47Å; S196-K200 PolarHBondContact O-N 2.99Å
197A98.4Very high98.3Very high4 Ų444.6 Ų44.63%0.03323%0.226CC..Hα-helixtrans-58.1-31.6170.100000113.4S148 I151 H195 A201S148-A197 WeakPolarHBondContact OG-CB 3.43Å; I151-A197 HydrophobicContact CD1-CB 3.91Å; H195-A197 WeakPolarHBondContact ND1-CB 3.22Å; H195-A197 PolarHBondContact ND1-N 3.44Å; H195-A197 VanDerWaalsContact ND1-N 3.14Å; H195-A197 PolarHBondContact O-N 3.07Å; A197-A201 VanDerWaalsContact O-CB 3.25Å; A197-A201 WeakPolarHBondContact O-CB 3.29Å; A197-A201 PolarHBondContact O-N 3.24Å
198V98.8Very high98.3Very high2 Ų249.2 Ų49.21%0.01225%0.246CC..Hα-helixtrans-69.4-44.6177.5-172.90000110.9I151 M155 A190 A194 H195 S196 A201 S202 L209 C243I151-V198 HydrophobicContact CD1-CG2 4.11Å; I151-V198 HydrophobicContact CG2-CG2 4.16Å; M155-V198 HydrophobicContact CE-CG1 4.38Å; A190-V198 HydrophobicContact CB-CB 4.42Å; A190-V198 HydrophobicContact CB-CG1 3.75Å; A194-V198 HydrophobicContact CB-CG2 4.12Å; H195-V198 PolarHBondContact O-N 3.38Å; S196-V198 PolarHBondContact O-N 3.03Å; V198-A201 PolarHBondContact O-N 3.13Å; V198-S202 PolarHBondContact O-N 3.02Å; V198-L209 HydrophobicContact CG1-CD1 4.13Å; V198-L209 HydrophobicContact CG1-CD2 4.19Å; V198-C243 HydrophobicContact CG1-CB 4Å; V198-C243 HydrophobicContact CG2-CB 4.04Å; V198-C243 VanDerWaalsContact CG2-SG 3.56Å
199E98.6Very high98.3Very high102 Ų10250.9 Ų50.948%0.47725%0.254SS..Hα-helixtrans-60.9-48.2173.4-173.6178.5-17700110.6S196 A201 S202 V203 L209S196-E199 PolarHBondContact O-N 3.38Å; E199-A201 VanDerWaalsContact C-N 3.33Å; E199-A201 PolarHBondContact O-N 3.35Å; E199-S202 PolarHBondContact O-N 2.98Å; E199-S202 PolarHBondContact O-OG 3.45Å; E199-V203 WeakPolarHBondContact O-CG2 3.34Å; E199-V203 PolarHBondContact O-N 2.9Å; E199-L209 HydrophobicContact CB-CD2 3.99Å; E199-L209 HydrophobicContact CG-CD2 4.45Å
200K98.6Very high98.3Very high140 Ų14054.1 Ų54.161%0.60927%0.266SS*.Hα-helixtrans-59-42.1177-169173.7-176.2176.90112.6S196 S202 V203 L204S196-K200 WeakPolarHBondContact O-CB 3.47Å; S196-K200 PolarHBondContact O-N 2.99Å; K200-S202 VanDerWaalsContact C-N 3.33Å; K200-V203 PolarHBondContact O-N 3.03Å; K200-L204 HydrophobicContact CG-CD1 4.18Å; K200-L204 WeakPolarHBondContact O-CG 3.3Å; K200-L204 PolarHBondContact O-N 2.81Å
201A98.7Very high98.3Very high3 Ų357.6 Ų57.63%0.02528%0.283CS..Hα-helixtrans-62.4-40.4175.300000111.5I151 F152 M155 A197 V198 E199 L204 G205I151-A201 HydrophobicContact CG2-CB 3.9Å; F152-A201 HydrophobicContact CB-CB 4.17Å; F152-A201 HydrophobicContact CD2-CB 4.11Å; M155-A201 HydrophobicContact CE-CB 3.76Å; M155-A201 VanDerWaalsContact SD-C 3.54Å; M155-A201 HydrophobicContact SD-CB 3.96Å; A197-A201 VanDerWaalsContact O-CB 3.25Å; A197-A201 WeakPolarHBondContact O-CB 3.29Å; A197-A201 PolarHBondContact O-N 3.24Å; V198-A201 PolarHBondContact O-N 3.13Å; E199-A201 VanDerWaalsContact C-N 3.33Å; E199-A201 PolarHBondContact O-N 3.35Å; A201-L204 PolarHBondContact O-N 3.19Å; A201-G205 WeakPolarHBondContact O-CA 3.09Å; A201-G205 PolarHBondContact O-N 3.49Å
202S98.7Very high98.3Very high7 Ų757.8 Ų57.85%0.04928%0.284CS..Hα-helixtrans-65.3-40.1177.872.30000113.1V198 E199 K200 G205 F206 V207V198-S202 PolarHBondContact O-N 3.02Å; E199-S202 PolarHBondContact O-N 2.98Å; E199-S202 PolarHBondContact O-OG 3.45Å; K200-S202 VanDerWaalsContact C-N 3.33Å; S202-G205 PolarHBondContact O-N 2.87Å; S202-F206 PolarHBondContact O-N 3.29Å; S202-F206 VanDerWaalsContact O-N 3.09Å; S202-V207 PolarHBondContact O-N 3.41Å
203V98.4Very high98.3Very high97 Ų9754.6 Ų54.659%0.58828%0.277SS*.Hα-helixtrans-63.5-49.8175.4172.30000110.6E199 K200 G205 F206E199-V203 WeakPolarHBondContact O-CG2 3.34Å; E199-V203 PolarHBondContact O-N 2.9Å; K200-V203 PolarHBondContact O-N 3.03Å; V203-G205 VanDerWaalsContact C-N 3.29Å; V203-G205 PolarHBondContact O-N 3.3Å; V203-F206 PolarHBondContact O-N 3.21Å
204L98.1Very high98.3Very high94 Ų9455.3 Ų55.349%0.49228%0.282SS..Hα-helixtrans-67-30.8178.8-67.1173.4000112.7F152 K200 A201 F206F152-L204 HydrophobicContact CD2-CB 4.35Å; F152-L204 HydrophobicContact CE2-CB 3.67Å; F152-L204 HydrophobicContact CZ-CB 3.98Å; K200-L204 HydrophobicContact CG-CD1 4.18Å; K200-L204 WeakPolarHBondContact O-CG 3.3Å; K200-L204 PolarHBondContact O-N 2.81Å; A201-L204 PolarHBondContact O-N 3.19Å; L204-F206 VanDerWaalsContact C-N 3.32Å
205G97Very high98.2Very high1 Ų155.9 Ų55.91%0.0128%0.282CS..Hα-helixtrans-81.1-8.1178.800000114.6R159 A201 S202 V203 V207R159-G205 PolarHBondContact NH1-O 2.85Å; A201-G205 WeakPolarHBondContact O-CA 3.09Å; A201-G205 PolarHBondContact O-N 3.49Å; S202-G205 PolarHBondContact O-N 2.87Å; V203-G205 VanDerWaalsContact C-N 3.29Å; V203-G205 PolarHBondContact O-N 3.3Å; G205-V207 VanDerWaalsContact C-N 3.34Å
206F97.6Very high98Very high166 Ų16659.2 Ų59.273%0.72830%0.298SS*.THydrogen-bonded Turntrans56.341.2-172.7-60.4-80.4000113.8L183 S202 V203 L204L183-F206 HydrophobicContact CD2-CB 4.5Å; S202-F206 PolarHBondContact O-N 3.29Å; S202-F206 VanDerWaalsContact O-N 3.09Å; V203-F206 PolarHBondContact O-N 3.21Å; L204-F206 VanDerWaalsContact C-N 3.32Å
207V98.2Very high97.9Very high13 Ų1360.2 Ų60.28%0.07930%0.297CS..  trans-119.8150.5179.9-64.50000111M155 R159 L183 L186 S202 G205 F240M155-V207 HydrophobicContact CG-CG2 4.49Å; M155-V207 HydrophobicContact SD-CG2 3.66Å; R159-V207 HydrophobicContact CG-CG1 4.3Å; L183-V207 HydrophobicContact CD1-CG1 4.01Å; L186-V207 HydrophobicContact CB-CG1 4.09Å; L186-V207 HydrophobicContact CD1-CG1 4.27Å; S202-V207 PolarHBondContact O-N 3.41Å; G205-V207 VanDerWaalsContact C-N 3.34Å; V207-F240 HydrophobicContact CB-CE1 3.96Å; V207-F240 HydrophobicContact CB-CZ 3.94Å; V207-F240 HydrophobicContact CG1-CE1 4.01Å; V207-F240 HydrophobicContact CG1-CZ 3.75Å; V207-F240 HydrophobicContact CG2-CE1 4.3Å; V207-F240 HydrophobicContact CG2-CZ 3.94Å
208K98.7Very high97.8Very high101 Ų10160.4 Ų60.444%0.43930%0.298SS..EExtended strand (participates in β ladder)trans-70.7142.1174.5-65170175.359.10109.2S184 L186 V187 A188 L237S184-K208 PolarHBondContact O-NZ 3.43Å; L186-K208 PolarHBondContact O-N 2.94Å; V187-K208 WeakPolarHBondContact CA-O 3.27Å; V187-K208 HydrophobicContact CB-CB 4.22Å; V187-K208 HydrophobicContact CG2-CB 4.17Å; A188-K208 PolarHBondContact N-O 3.24Å; K208-L237 HydrophobicContact CD-CD1 4.43Å; K208-L237 HydrophobicContact CD-CD2 4.05Å
209L98.8Very high97.7Very high35 Ų3560.7 Ų60.718%0.18330%0.299CS..EExtended strand (participates in β ladder)trans-119126.1170.8179.263000110A188 A190 V198 E199A188-L209 HydrophobicContact CB-CD1 4.04Å; A188-L209 WeakPolarHBondContact O-CA 3.23Å; A190-L209 HydrophobicContact CB-CD1 4.05Å; V198-L209 HydrophobicContact CG1-CD1 4.13Å; V198-L209 HydrophobicContact CG1-CD2 4.19Å; E199-L209 HydrophobicContact CB-CD2 3.99Å; E199-L209 HydrophobicContact CG-CD2 4.45Å
210R98.7Very high97.7Very high68 Ų6856 Ų5626%0.25728%0.278SS..EExtended strand (participates in β ladder)trans-104.5112.9173.1-173.5167.4176.9173.1-1.4110V187 A188 Y189 A190 L212 A228 E231 D232V187-R210 HydrophobicContact CG2-CB 4.14Å; A188-R210 PolarHBondContact O-N 3.42Å; Y189-R210 WeakPolarHBondContact CA-O 3.43Å; Y189-R210 HydrophobicContact CD1-CB 3.94Å; Y189-R210 HydrophobicContact CD1-CG 4.38Å; Y189-R210 HydrophobicContact CE1-CB 4.11Å; Y189-R210 HydrophobicContact CE1-CG 4.45Å; A190-R210 PolarHBondContact N-O 2.97Å; R210-L212 HydrophobicContact CG-CD2 4.38Å; R210-A228 PolarHBondContact NH1-O 2.99Å; R210-E231 IonicContact CZ-OE2 2.8Å; R210-E231 IonicContact NH1-OE2 3.95Å; R210-E231 PolarHBondContact NH1-OE2 2.9Å; R210-E231 IonicContact NH2-OE2 3.06Å; R210-E231 PolarHBondContact NH2-OE2 3.22Å; R210-D232 WeakPolarHBondContact CD-OD2 3.49Å; R210-D232 IonicContact CZ-OD1 3.93Å; R210-D232 VanDerWaalsContact NH1-CG 3.3Å; R210-D232 IonicContact NH1-OD1 2.75Å; R210-D232 PolarHBondContact NH1-OD1 2.86Å; R210-D232 IonicContact NH1-OD2 3.28Å; R210-D232 PolarHBondContact NH1-OD2 3.34Å
211H98.5Very high97.7Very high74 Ų7452 Ų5234%0.34326%0.261SS..EExtended strand (participates in β ladder)trans-79.8120.2174.3-66.9-81.2000111.3A190 S191 K192A190-H211 CarbonylContact O-C 3.45Å; A190-H211 WeakPolarHBondContact O-CA 3.22Å; S191-H211 PolarHBondContact O-ND1 3.05Å; K192-H211 HydrophobicContact CG-CB 3.69Å
212L98.6Very high97.7Very high3 Ų352 Ų522%0.01626%0.261CS..EExtended strand (participates in β ladder)trans-88.1140-178.2-58.5179.7000111.4Y189 A190 K192 R210 I220 T224 L225 A228Y189-L212 HydrophobicContact CD1-CD1 4.48Å; Y189-L212 HydrophobicContact CD1-CD2 4.13Å; Y189-L212 HydrophobicContact CD1-CG 4.5Å; A190-L212 PolarHBondContact O-N 2.67Å; K192-L212 WeakPolarHBondContact CG-O 3.31Å; K192-L212 PolarHBondContact N-O 2.77Å; R210-L212 HydrophobicContact CG-CD2 4.38Å; L212-I220 HydrophobicContact CB-CD1 4Å; L212-I220 HydrophobicContact CB-CG1 4.14Å; L212-I220 HydrophobicContact CB-CG2 4.43Å; L212-I220 HydrophobicContact CD1-CD1 4.09Å; L212-I220 HydrophobicContact CD1-CG2 3.99Å; L212-T224 HydrophobicContact CB-CG2 4.21Å; L212-L225 HydrophobicContact CD1-CB 4.04Å; L212-L225 HydrophobicContact CD1-CD1 3.85Å; L212-A228 HydrophobicContact CD2-CB 3.45Å; L212-A228 VanDerWaalsContact CD2-CB 3.45Å
213P97.5Very high97.6Very high70 Ų7058 Ų5846%0.45529%0.289SS..PPolyproline II helixtrans-64155.9172.630.3-34.7000110.8T224P213-T224 HydrophobicContact CG-CG2 3.73Å
214V97.6Very high97.7Very high29 Ų2954.8 Ų54.818%0.17627%0.27CS..  trans-109.7154.8177.7-63.50000110.7S191 L193 F218 S219 I220 R440S191-V214 WeakPolarHBondContact OG-CG1 3.38Å; L193-V214 HydrophobicContact CD1-CG1 4.24Å; L193-V214 HydrophobicContact CD1-CG2 4.16Å; L193-V214 HydrophobicContact CG-CG1 4.31Å; V214-F218 HydrophobicContact CG2-CB 4.5Å; V214-F218 HydrophobicContact CG2-CD1 4.31Å; V214-S219 WeakPolarHBondContact CA-O 3.41Å; V214-I220 HydrophobicContact CG1-CG1 4.44Å; V214-R440 HydrophobicContact CG2-CG 4.4Å
215D96.1Very high97.7Very high29 Ų2950.4 Ų50.416%0.15525%0.246CC..  trans-75.9-170.4173.969.211.3000112.7N217 F218 S219 Q221D215-N217 PolarHBondContact O-N 3.49Å; D215-N217 VanDerWaalsContact OD1-C 3.29Å; D215-N217 VanDerWaalsContact OD1-CA 3.28Å; D215-N217 WeakPolarHBondContact OD1-CA 3.5Å; D215-N217 WeakPolarHBondContact OD1-CB 3.29Å; D215-N217 PolarHBondContact OD1-N 2.74Å; D215-F218 PolarHBondContact O-N 2.72Å; D215-F218 VanDerWaalsContact O-N 3.08Å; D215-F218 PolarHBondContact OD1-N 3.38Å; D215-S219 VanDerWaalsContact CG-O 3.32Å; D215-S219 PolarHBondContact N-O 2.85Å; D215-S219 PolarHBondContact OD1-N 3.05Å; D215-Q221 PolarHBondContact OD2-NE2 3.49Å
216E94.4Very high97.8Very high130 Ų13053.5 Ų53.561%0.60726%0.261SS*.THydrogen-bonded Turntrans-64.1-22176.465.7-79.6-177.600115F218E216-F218 VanDerWaalsContact C-N 3.31Å
217N94.9Very high97.8Very high96 Ų9651.8 Ų51.851%0.51325%0.249SC..THydrogen-bonded Turntrans-92.47.2175-61.7-55.3000112.4D215 S219D215-N217 PolarHBondContact O-N 3.49Å; D215-N217 VanDerWaalsContact OD1-C 3.29Å; D215-N217 VanDerWaalsContact OD1-CA 3.28Å; D215-N217 WeakPolarHBondContact OD1-CA 3.5Å; D215-N217 WeakPolarHBondContact OD1-CB 3.29Å; D215-N217 PolarHBondContact OD1-N 2.74Å; N217-S219 PolarHBondContact O-N 2.95Å
218F97.1Very high97.9Very high9 Ų951.3 Ų51.34%0.03925%0.247CC..SBendtrans63.128.7-177.2-53.1-77000113.5L193 V214 D215 E216 S253 V400 A439 R440L193-F218 HydrophobicContact CD1-CB 3.61Å; L193-F218 HydrophobicContact CD1-CD1 3.99Å; L193-F218 HydrophobicContact CD1-CG 4.19Å; V214-F218 HydrophobicContact CG2-CB 4.5Å; V214-F218 HydrophobicContact CG2-CD1 4.31Å; D215-F218 PolarHBondContact O-N 2.72Å; D215-F218 VanDerWaalsContact O-N 3.08Å; D215-F218 PolarHBondContact OD1-N 3.38Å; E216-F218 VanDerWaalsContact C-N 3.31Å; F218-S253 VanDerWaalsContact O-CB 3.27Å; F218-S253 WeakPolarHBondContact O-CB 3.19Å; F218-S253 PolarHBondContact O-OG 3.42Å; F218-V400 HydrophobicContact CE2-CG1 4.32Å; F218-V400 HydrophobicContact CZ-CG1 4.07Å; F218-A439 HydrophobicContact CD1-CB 3.81Å; F218-A439 HydrophobicContact CE1-CB 3.58Å; F218-A439 HydrophobicContact CZ-CB 4.46Å; F218-R440 HydrophobicContact CD1-CG 4.13Å; F218-R440 HydrophobicContact CE1-CB 4.23Å; F218-R440 HydrophobicContact CE1-CG 3.8Å
219S97.5Very high97.9Very high7 Ų746.5 Ų46.55%0.04923%0.226CC..  trans-108.5144-179.7169.10000111.4V214 D215 N217 Q221 F254 D255 H256V214-S219 WeakPolarHBondContact CA-O 3.41Å; D215-S219 VanDerWaalsContact CG-O 3.32Å; D215-S219 PolarHBondContact N-O 2.85Å; D215-S219 PolarHBondContact OD1-N 3.05Å; N217-S219 PolarHBondContact O-N 2.95Å; S219-Q221 PolarHBondContact OG-NE2 2.97Å; S219-F254 WeakPolarHBondContact CB-O 3.29Å; S219-F254 PolarHBondContact OG-O 3.47Å; S219-D255 WeakPolarHBondContact OG-CA 3.38Å; S219-H256 PolarHBondContact OG-N 3.47Å
220I97.8Very high97.9Very high4 Ų452.3 Ų52.32%0.02125%0.25CC..  trans-78.9137.2160.3-57.8165.3000109.9S191 L212 V214 D255 H256 I260S191-I220 VanDerWaalsContact CB-CD1 3.47Å; L212-I220 HydrophobicContact CB-CD1 4Å; L212-I220 HydrophobicContact CB-CG1 4.14Å; L212-I220 HydrophobicContact CB-CG2 4.43Å; L212-I220 HydrophobicContact CD1-CD1 4.09Å; L212-I220 HydrophobicContact CD1-CG2 3.99Å; V214-I220 HydrophobicContact CG1-CG1 4.44Å; I220-D255 PolarHBondContact N-OD1 3.13Å; I220-H256 PolarHBondContact O-N 2.77Å; I220-I260 HydrophobicContact CB-CD1 4.2Å; I220-I260 HydrophobicContact CG2-CD1 4.31Å
221Q98.2Very high97.9Very high56 Ų5653.2 Ų53.226%0.26226%0.257SS..  trans-101.7150.7169.6-57.4-58.9-3000111.2D215 S219 E223 T224 L225D215-Q221 PolarHBondContact OD2-NE2 3.49Å; S219-Q221 PolarHBondContact OG-NE2 2.97Å; Q221-E223 PolarHBondContact O-N 2.99Å; Q221-T224 WeakPolarHBondContact O-CB 3.42Å; Q221-T224 PolarHBondContact O-N 3.22Å; Q221-L225 PolarHBondContact O-N 2.75Å
222G98.6Very high97.9Very high3 Ų350 Ų503%0.03124%0.242CC..Hα-helixtrans-53.1-36.2176.600000113.6T224 L225 Q226 S259G222-T224 VanDerWaalsContact C-N 3.33Å; G222-T224 PolarHBondContact O-N 3.4Å; G222-L225 PolarHBondContact O-N 2.88Å; G222-Q226 WeakPolarHBondContact O-CB 3.36Å; G222-Q226 PolarHBondContact O-N 3.4Å; G222-S259 PolarHBondContact N-OG 3.18Å
223E98.4Very high97.8Very high132 Ų13254.3 Ų54.362%0.61726%0.261SS*.Hα-helixtrans-60.5-40.8176.3-164.4-158.7144.800112.5Q221 L225 Q226 R227Q221-E223 PolarHBondContact O-N 2.99Å; E223-L225 VanDerWaalsContact C-N 3.33Å; E223-L225 PolarHBondContact O-N 3.45Å; E223-Q226 PolarHBondContact O-N 2.64Å; E223-R227 WeakPolarHBondContact O-CB 3.33Å; E223-R227 PolarHBondContact O-N 3.04Å; E223-R227 IonicContact OE1-CZ 3.67Å; E223-R227 IonicContact OE1-NH2 2.69Å; E223-R227 PolarHBondContact OE1-NH2 3.2Å
224T98.6Very high97.9Very high31 Ų3155.2 Ų55.219%0.1927%0.274CS..Hα-helixtrans-62.2-43176.9-52.10000111L212 P213 Q221 G222 A228L212-T224 HydrophobicContact CB-CG2 4.21Å; P213-T224 HydrophobicContact CG-CG2 3.73Å; Q221-T224 WeakPolarHBondContact O-CB 3.42Å; Q221-T224 PolarHBondContact O-N 3.22Å; G222-T224 VanDerWaalsContact C-N 3.33Å; G222-T224 PolarHBondContact O-N 3.4Å; T224-A228 PolarHBondContact O-N 2.94Å
225L98.8Very high97.9Very high1 Ų159.9 Ų59.91%0.00530%0.296CS..Hα-helixtrans-65.6-47.2176174.361.7000111.6Y189 L212 Q221 G222 E223 R227 A228 I229 V242 I260 V263Y189-L225 HydrophobicContact CD1-CD1 4.03Å; Y189-L225 HydrophobicContact CD2-CD1 4.09Å; Y189-L225 HydrophobicContact CG-CD1 3.71Å; L212-L225 HydrophobicContact CD1-CB 4.04Å; L212-L225 HydrophobicContact CD1-CD1 3.85Å; Q221-L225 PolarHBondContact O-N 2.75Å; G222-L225 PolarHBondContact O-N 2.88Å; E223-L225 VanDerWaalsContact C-N 3.33Å; E223-L225 PolarHBondContact O-N 3.45Å; L225-R227 VanDerWaalsContact C-N 3.28Å; L225-R227 PolarHBondContact O-N 3.44Å; L225-A228 PolarHBondContact O-N 3.41Å; L225-A228 VanDerWaalsContact O-N 3.16Å; L225-I229 HydrophobicContact CD1-CD1 3.77Å; L225-I229 HydrophobicContact CD1-CG1 4.04Å; L225-I229 HydrophobicContact CD2-CD1 4.37Å; L225-I229 HydrophobicContact CG-CD1 3.68Å; L225-I229 HydrophobicContact CG-CG1 4.38Å; L225-I229 WeakPolarHBondContact O-CG1 3.34Å; L225-I229 PolarHBondContact O-N 3.15Å; L225-V242 HydrophobicContact CD1-CG2 3.77Å; L225-V242 HydrophobicContact CD2-CG1 4.17Å; L225-V242 HydrophobicContact CD2-CG2 3.86Å; L225-V242 HydrophobicContact CG-CG2 4.47Å; L225-I260 HydrophobicContact CD2-CG2 3.89Å; L225-V263 HydrophobicContact CB-CG1 4.46Å; L225-V263 HydrophobicContact CD2-CB 4.17Å; L225-V263 HydrophobicContact CD2-CG1 3.81Å; L225-V263 HydrophobicContact CG-CG1 3.83Å
226Q98.7Very high97.9Very high66 Ų6660.6 Ų60.631%0.30831%0.309SS..Hα-helixtrans-58.5-39.8-179.6-177.360.258.800112G222 E223 K230 V263 N267G222-Q226 WeakPolarHBondContact O-CB 3.36Å; G222-Q226 PolarHBondContact O-N 3.4Å; E223-Q226 PolarHBondContact O-N 2.64Å; Q226-K230 WeakPolarHBondContact O-CB 3.25Å; Q226-K230 PolarHBondContact O-N 3.39Å; Q226-V263 HydrophobicContact CB-CG1 4.2Å; Q226-V263 HydrophobicContact CB-CG2 4.12Å; Q226-N267 PolarHBondContact OE1-ND2 3.18Å
227R98.6Very high98.1Very high131 Ų13156 Ų5649%0.49429%0.289SS..Hα-helixtrans-64.4-47.7175.9-168.3-176.8-53.5153.24.5111.7E223 L225 I229 K230 E231E223-R227 WeakPolarHBondContact O-CB 3.33Å; E223-R227 PolarHBondContact O-N 3.04Å; E223-R227 IonicContact OE1-CZ 3.67Å; E223-R227 IonicContact OE1-NH2 2.69Å; E223-R227 PolarHBondContact OE1-NH2 3.2Å; L225-R227 VanDerWaalsContact C-N 3.28Å; L225-R227 PolarHBondContact O-N 3.44Å; R227-I229 PolarHBondContact O-N 3.37Å; R227-K230 PolarHBondContact O-N 3.3Å; R227-E231 WeakPolarHBondContact O-CG 3.46Å; R227-E231 PolarHBondContact O-N 2.88Å
228A98.8Very high98.2Very high3 Ų352.3 Ų52.33%0.02527%0.269CS..Hα-helixtrans-61.3-44.317800000112Y189 R210 L212 T224 L225 K230 E231 D232Y189-A228 HydrophobicContact CD1-CB 4.23Å; Y189-A228 HydrophobicContact CE1-CB 3.9Å; R210-A228 PolarHBondContact NH1-O 2.99Å; L212-A228 HydrophobicContact CD2-CB 3.45Å; L212-A228 VanDerWaalsContact CD2-CB 3.45Å; T224-A228 PolarHBondContact O-N 2.94Å; L225-A228 PolarHBondContact O-N 3.41Å; L225-A228 VanDerWaalsContact O-N 3.16Å; A228-K230 VanDerWaalsContact C-N 3.33Å; A228-K230 PolarHBondContact O-N 2.84Å; A228-E231 PolarHBondContact O-N 3.17Å; A228-D232 WeakPolarHBondContact O-CB 3.29Å; A228-D232 VanDerWaalsContact O-CG 3.28Å; A228-D232 PolarHBondContact O-N 3.43Å
229I98.8Very high98.3Very high0 Ų052.3 Ų52.30%027%0.27CS..Hα-helixtrans-56.8-45.6174.4-74.7167.6000111.3Y189 L225 R227 D232 K233 P239 V263 I269Y189-I229 HydrophobicContact CE1-CG1 4.44Å; Y189-I229 HydrophobicContact CE2-CG1 4.08Å; L225-I229 HydrophobicContact CD1-CD1 3.77Å; L225-I229 HydrophobicContact CD1-CG1 4.04Å; L225-I229 HydrophobicContact CD2-CD1 4.37Å; L225-I229 HydrophobicContact CG-CD1 3.68Å; L225-I229 HydrophobicContact CG-CG1 4.38Å; L225-I229 WeakPolarHBondContact O-CG1 3.34Å; L225-I229 PolarHBondContact O-N 3.15Å; R227-I229 PolarHBondContact O-N 3.37Å; I229-D232 PolarHBondContact O-N 3.29Å; I229-K233 HydrophobicContact CG2-CD 3.97Å; I229-K233 HydrophobicContact CG2-CG 4.44Å; I229-K233 WeakPolarHBondContact O-CB 3.4Å; I229-K233 WeakPolarHBondContact O-CG 3.48Å; I229-K233 PolarHBondContact O-N 2.88Å; I229-P239 HydrophobicContact CG1-CB 4.32Å; I229-P239 HydrophobicContact CG1-CG 4.41Å; I229-P239 HydrophobicContact CG2-CG 4.09Å; I229-V263 HydrophobicContact CD1-CG1 3.58Å; I229-I269 HydrophobicContact CD1-CD1 3.37Å; I229-I269 HydrophobicContact CG1-CD1 3.96Å
230K98.7Very high98.4Very high156 Ų15652.3 Ų52.368%0.67827%0.269SS*.Hα-helixtrans-62.4-44.8179.9-176.7179.9177.7-179.20111.7Q226 R227 A228 A234Q226-K230 WeakPolarHBondContact O-CB 3.25Å; Q226-K230 PolarHBondContact O-N 3.39Å; R227-K230 PolarHBondContact O-N 3.3Å; A228-K230 VanDerWaalsContact C-N 3.33Å; A228-K230 PolarHBondContact O-N 2.84Å; K230-A234 WeakPolarHBondContact O-CB 3.38Å; K230-A234 PolarHBondContact O-N 3.37Å
231E98.7Very high98.4Very high88 Ų8852.1 Ų52.141%0.41127%0.268SS..Hα-helixtrans-64.8-44.5178-70168.7-165.800111.8R210 R227 A228 A234 M235R210-E231 IonicContact CZ-OE2 2.8Å; R210-E231 IonicContact NH1-OE2 3.95Å; R210-E231 PolarHBondContact NH1-OE2 2.9Å; R210-E231 IonicContact NH2-OE2 3.06Å; R210-E231 PolarHBondContact NH2-OE2 3.22Å; R227-E231 WeakPolarHBondContact O-CG 3.46Å; R227-E231 PolarHBondContact O-N 2.88Å; A228-E231 PolarHBondContact O-N 3.17Å; E231-A234 WeakPolarHBondContact O-CB 3.44Å; E231-A234 PolarHBondContact O-N 2.84Å; E231-M235 PolarHBondContact O-N 3.16Å
232D98.7Very high98.5Very high6 Ų649.7 Ų49.73%0.03226%0.257CS..Hα-helixtrans-68.5-40.4-179.5-68.7-24.3000112V187 Y189 R210 A228 I229 A234 M235 G236 L237V187-D232 HydrophobicContact CG1-CB 4.16Å; Y189-D232 WeakPolarHBondContact CE1-OD2 3.3Å; Y189-D232 VanDerWaalsContact CZ-OD2 3.25Å; Y189-D232 WeakPolarHBondContact OH-CB 3.29Å; Y189-D232 PolarHBondContact OH-OD2 3.48Å; R210-D232 WeakPolarHBondContact CD-OD2 3.49Å; R210-D232 IonicContact CZ-OD1 3.93Å; R210-D232 VanDerWaalsContact NH1-CG 3.3Å; R210-D232 IonicContact NH1-OD1 2.75Å; R210-D232 PolarHBondContact NH1-OD1 2.86Å; R210-D232 IonicContact NH1-OD2 3.28Å; R210-D232 PolarHBondContact NH1-OD2 3.34Å; A228-D232 WeakPolarHBondContact O-CB 3.29Å; A228-D232 VanDerWaalsContact O-CG 3.28Å; A228-D232 PolarHBondContact O-N 3.43Å; I229-D232 PolarHBondContact O-N 3.29Å; D232-A234 VanDerWaalsContact C-N 3.28Å; D232-A234 PolarHBondContact O-N 2.9Å; D232-M235 CarbonylContact O-C 3.58Å; D232-M235 PolarHBondContact O-N 3.17Å; D232-M235 WeakPolarHBondContact OD1-CE 3.41Å; D232-G236 PolarHBondContact O-N 2.77Å; D232-L237 HydrophobicContact CB-CB 4.12Å; D232-L237 HydrophobicContact CB-CD1 4.06Å; D232-L237 WeakPolarHBondContact O-CB 3.28Å; D232-L237 PolarHBondContact O-N 3.46Å
233K98.3Very high98.5Very high94 Ų9449.5 Ų49.541%0.40926%0.255SS..Hα-helixtrans-59.8-39.3171.6-77.4-179.2172.5-179.20111.6I229 M235 G236 P239 N267I229-K233 HydrophobicContact CG2-CD 3.97Å; I229-K233 HydrophobicContact CG2-CG 4.44Å; I229-K233 WeakPolarHBondContact O-CB 3.4Å; I229-K233 WeakPolarHBondContact O-CG 3.48Å; I229-K233 PolarHBondContact O-N 2.88Å; K233-M235 PolarHBondContact O-N 3.31Å; K233-G236 PolarHBondContact O-N 3.02Å; K233-P239 HydrophobicContact CD-CG 4.45Å; K233-P239 HydrophobicContact CG-CG 3.85Å; K233-N267 PolarHBondContact NZ-OD1 3.05Å
234A98.2Very high98.5Very high89 Ų8943.3 Ų43.374%0.73623%0.226SC*.Hα-helixtrans-65.1-24.8175.900000113.1K230 E231 D232 G236K230-A234 WeakPolarHBondContact O-CB 3.38Å; K230-A234 PolarHBondContact O-N 3.37Å; E231-A234 WeakPolarHBondContact O-CB 3.44Å; E231-A234 PolarHBondContact O-N 2.84Å; D232-A234 VanDerWaalsContact C-N 3.28Å; D232-A234 PolarHBondContact O-N 2.9Å; A234-G236 VanDerWaalsContact C-N 3.3Å
235M97.7Very high98.5Very high127 Ų12741.9 Ų41.963%0.62622%0.218SC*.THydrogen-bonded Turntrans-87.26.7172.4-64.4-174.7-68.100113.6E231 D232 K233 L237E231-M235 PolarHBondContact O-N 3.16Å; D232-M235 CarbonylContact O-C 3.58Å; D232-M235 PolarHBondContact O-N 3.17Å; D232-M235 WeakPolarHBondContact OD1-CE 3.41Å; K233-M235 PolarHBondContact O-N 3.31Å; M235-L237 VanDerWaalsContact C-N 3.29Å; M235-L237 HydrophobicContact CB-CG 4.41Å; M235-L237 HydrophobicContact CE-CD1 4.22Å; M235-L237 PolarHBondContact O-N 3.23Å
236G96.1Very high98.5Very high43 Ų4341.9 Ų41.944%0.44322%0.218SC..THydrogen-bonded Turntrans75.114.8-178.800000114.5D232 K233 A234D232-G236 PolarHBondContact O-N 2.77Å; K233-G236 PolarHBondContact O-N 3.02Å; A234-G236 VanDerWaalsContact C-N 3.3Å
237L98.1Very high98.5Very high34 Ų3439 Ų3918%0.17821%0.206CC..  trans-80.8160172.8-57.5178.2000111R185 V187 K208 D232 M235 P239R185-L237 CarbonylContact O-C 3.59Å; R185-L237 WeakPolarHBondContact O-CA 3.37Å; V187-L237 HydrophobicContact CB-CD1 4.4Å; V187-L237 HydrophobicContact CG1-CB 3.89Å; V187-L237 HydrophobicContact CG1-CD1 4.39Å; K208-L237 HydrophobicContact CD-CD1 4.43Å; K208-L237 HydrophobicContact CD-CD2 4.05Å; D232-L237 HydrophobicContact CB-CB 4.12Å; D232-L237 HydrophobicContact CB-CD1 4.06Å; D232-L237 WeakPolarHBondContact O-CB 3.28Å; D232-L237 PolarHBondContact O-N 3.46Å; M235-L237 VanDerWaalsContact C-N 3.29Å; M235-L237 HydrophobicContact CB-CG 4.41Å; M235-L237 HydrophobicContact CE-CD1 4.22Å; M235-L237 PolarHBondContact O-N 3.23Å; L237-P239 WeakPolarHBondContact O-CD 3.18Å
238I98.2Very high98.4Very high19 Ų1932.8 Ų32.810%0.09718%0.183CC..EExtended strand (participates in β ladder)trans-115.899.6-177.7-60.2171.7000108.6Y166 V182 R185 L186 V187 F240Y166-I238 HydrophobicContact CD1-CD1 4.12Å; Y166-I238 HydrophobicContact CD2-CD1 4.29Å; Y166-I238 HydrophobicContact CD2-CG2 3.67Å; Y166-I238 HydrophobicContact CE1-CG2 4.42Å; Y166-I238 HydrophobicContact CE2-CG2 3.39Å; Y166-I238 HydrophobicContact CG-CD1 3.95Å; Y166-I238 HydrophobicContact CG-CG2 4.33Å; V182-I238 HydrophobicContact CG1-CD1 4.21Å; R185-I238 HydrophobicContact CB-CD1 3.99Å; R185-I238 HydrophobicContact CB-CG1 4.08Å; R185-I238 PolarHBondContact O-N 3.13Å; L186-I238 WeakPolarHBondContact CA-O 3.25Å; L186-I238 HydrophobicContact CD2-CB 4.02Å; L186-I238 HydrophobicContact CD2-CG2 3.83Å; V187-I238 PolarHBondContact N-O 2.91Å; I238-F240 PolarHBondContact O-N 3.23Å
239P98.8Very high98.3Very high8 Ų834.7 Ų34.75%0.05219%0.194CC..EExtended strand (participates in β ladder)trans-57.3125.2168.9-27.237.6000110.7V187 Y189 I229 K233 L237 I269V187-P239 HydrophobicContact CG1-CG 4.38Å; Y189-P239 HydrophobicContact CE2-CB 3.75Å; Y189-P239 HydrophobicContact CE2-CG 4.35Å; Y189-P239 WeakPolarHBondContact OH-CG 3.4Å; I229-P239 HydrophobicContact CG1-CB 4.32Å; I229-P239 HydrophobicContact CG1-CG 4.41Å; I229-P239 HydrophobicContact CG2-CG 4.09Å; K233-P239 HydrophobicContact CD-CG 4.45Å; K233-P239 HydrophobicContact CG-CG 3.85Å; L237-P239 WeakPolarHBondContact O-CD 3.18Å; P239-I269 HydrophobicContact CB-CD1 3.5Å; P239-I269 HydrophobicContact CB-CG1 4.03Å
240F98.8Very high98.2Very high7 Ų735.8 Ų35.83%0.03120%0.202CC..EExtended strand (participates in β ladder)trans-137.2-24-176.984.1-76.7000115.3M155 A158 R159 A162 L186 V187 A188 V207 I238 W270M155-F240 HydrophobicContact CG-CE2 4.27Å; M155-F240 HydrophobicContact CG-CZ 4.16Å; A158-F240 HydrophobicContact CB-CD2 3.89Å; A158-F240 HydrophobicContact CB-CE2 4.06Å; R159-F240 HydrophobicContact CB-CE2 3.98Å; A162-F240 HydrophobicContact CB-CB 3.79Å; A162-F240 HydrophobicContact CB-CD2 4.45Å; A162-F240 HydrophobicContact CB-CG 4.4Å; L186-F240 HydrophobicContact CB-CD1 3.65Å; L186-F240 HydrophobicContact CB-CE1 3.79Å; L186-F240 HydrophobicContact CB-CG 4.35Å; L186-F240 HydrophobicContact CD1-CD1 4.45Å; L186-F240 HydrophobicContact CD1-CG 4.43Å; L186-F240 HydrophobicContact CD2-CB 4.03Å; L186-F240 HydrophobicContact CD2-CD1 4.16Å; L186-F240 HydrophobicContact CD2-CG 4.1Å; L186-F240 HydrophobicContact CG-CD1 4.29Å; V187-F240 WeakPolarHBondContact O-CD1 3.46Å; V187-F240 PolarHBondContact O-N 3.49Å; V187-F240 VanDerWaalsContact O-N 3.17Å; A188-F240 HydrophobicContact CB-CE1 3.82Å; A188-F240 HydrophobicContact CB-CZ 4.11Å; V207-F240 HydrophobicContact CB-CE1 3.96Å; V207-F240 HydrophobicContact CB-CZ 3.94Å; V207-F240 HydrophobicContact CG1-CE1 4.01Å; V207-F240 HydrophobicContact CG1-CZ 3.75Å; V207-F240 HydrophobicContact CG2-CE1 4.3Å; V207-F240 HydrophobicContact CG2-CZ 3.94Å; I238-F240 PolarHBondContact O-N 3.23Å; F240-W270 WeakPolarHBondContact O-CB 3.14Å; F240-W270 PolarHBondContact O-N 3.27Å
241Y98.9Very high98Very high0 Ų028.9 Ų28.90%017%0.173CC..EExtended strand (participates in β ladder)trans-142.9136.6-175.2-173.2-97000112.4I151 S154 M155 A158 A188 Y189 C243 W270 H272I151-Y241 PolarHBondContact O-OH 2.86Å; S154-Y241 PolarHBondContact OG-OH 3.3Å; M155-Y241 HydrophobicContact CB-CD2 4.45Å; M155-Y241 HydrophobicContact CB-CE1 4.37Å; M155-Y241 HydrophobicContact CB-CE2 4.15Å; M155-Y241 HydrophobicContact CE-CD1 3.98Å; M155-Y241 HydrophobicContact CE-CE1 3.84Å; M155-Y241 HydrophobicContact CG-CD1 4.47Å; M155-Y241 HydrophobicContact CG-CG 4.47Å; A158-Y241 HydrophobicContact CB-CD2 3.58Å; A158-Y241 HydrophobicContact CB-CE2 4.35Å; A158-Y241 HydrophobicContact CB-CG 4.45Å; A188-Y241 CarbonylContact C-O 3.56Å; A188-Y241 WeakPolarHBondContact CA-O 3.5Å; A188-Y241 HydrophobicContact CB-CD1 4.15Å; Y189-Y241 WeakPolarHBondContact CD2-O 3.44Å; Y189-Y241 PolarHBondContact N-O 3.31Å; Y241-C243 HydrophobicContact CE1-CB 3.94Å; Y241-W270 CarbonylContact C-O 3.59Å; Y241-W270 WeakPolarHBondContact CA-O 3.45Å; Y241-W270 HydrophobicContact CD2-CB 4.1Å; Y241-W270 AromaticContact CD2-CD1 3.59Å; Y241-W270 HydrophobicContact CD2-CG 4.02Å; Y241-W270 AromaticContact CE2-CD1 3.5Å; Y241-W270 HydrophobicContact CE2-CG 4.31Å; Y241-W270 AromaticContact CE2-NE1 3.95Å; Y241-H272 HydrophobicContact CE1-CB 4.39Å; Y241-H272 HydrophobicContact CE2-CB 3.73Å; Y241-H272 VanDerWaalsContact CZ-CB 3.48Å; Y241-H272 WeakPolarHBondContact OH-CB 3.4Å; Y241-H272 PolarHBondContact OH-CD2 3.22Å; Y241-H272 VanDerWaalsContact OH-CD2 3.3Å
242V98.9Very high98Very high5 Ų524.8 Ų24.83%0.0315%0.154CC..EExtended strand (participates in β ladder)trans-126.9129171.1172.60000108.4Y189 L225 I260 I269 W270 L271 H272Y189-V242 HydrophobicContact CD2-CG2 3.94Å; Y189-V242 HydrophobicContact CG-CG2 4.31Å; Y189-V242 WeakPolarHBondContact O-CA 3.25Å; L225-V242 HydrophobicContact CD1-CG2 3.77Å; L225-V242 HydrophobicContact CD2-CG1 4.17Å; L225-V242 HydrophobicContact CD2-CG2 3.86Å; L225-V242 HydrophobicContact CG-CG2 4.47Å; V242-I260 HydrophobicContact CG1-CG2 3.81Å; V242-I269 HydrophobicContact CB-CG2 4.32Å; V242-I269 HydrophobicContact CG2-CG2 3.65Å; V242-W270 PolarHBondContact N-O 3.34Å; V242-L271 HydrophobicContact CB-CD1 4.23Å; V242-L271 HydrophobicContact CG1-CD1 3.93Å; V242-H272 PolarHBondContact O-N 3.2Å
243C98.9Very high97.9Very high0 Ų025 Ų250%016%0.155CC..EExtended strand (participates in β ladder)trans-102.7100.2168.9-1700000109.5Y189 A190 V198 Y241 H272Y189-C243 PolarHBondContact O-N 3.33Å; A190-C243 HydrophobicContact CB-CB 4.19Å; V198-C243 HydrophobicContact CG1-CB 4Å; V198-C243 HydrophobicContact CG2-CB 4.04Å; V198-C243 VanDerWaalsContact CG2-SG 3.56Å; Y241-C243 HydrophobicContact CE1-CB 3.94Å; C243-H272 CarbonylContact C-O 3.57Å; C243-H272 WeakPolarHBondContact CA-O 3.46Å
244A98.9Very high97.9Very high1 Ų121.6 Ų21.61%0.00814%0.141CC..EExtended strand (participates in β ladder)trans-82.7133169.100000109.3D255 L257 I260 L271 H272 V273 D274A244-D255 HydrophobicContact CB-CB 4.35Å; A244-L257 HydrophobicContact CB-CD1 4.21Å; A244-I260 HydrophobicContact CB-CD1 4.24Å; A244-I260 HydrophobicContact CB-CG2 4.35Å; A244-L271 HydrophobicContact CB-CD1 3.8Å; A244-H272 PolarHBondContact N-O 3.09Å; A244-V273 CarbonylContact O-C 3.59Å; A244-V273 WeakPolarHBondContact O-CA 3.48Å; A244-D274 PolarHBondContact O-N 2.93Å
245T98.8Very high97.9Very high2 Ų217.5 Ų17.51%0.01211%0.107CC..EExtended strand (participates in β ladder)trans-108.6121.5-177-46.90000110.5T248 D255 D274T245-T248 HydrophobicContact CG2-CG2 3.84Å; T245-D255 PolarHBondContact N-OD2 2.94Å; T245-D255 PolarHBondContact O-N 2.9Å; T245-D274 CarbonylContact C-O 3.57Å; T245-D274 WeakPolarHBondContact CA-O 3.49Å
246L98.7Very high98Very high1 Ų115.6 Ų15.61%0.00510%0.096CC..BIsolated β-bridgetrans-103.799.1172.2-56.9-176.8000108.9F254 L257 V273 D274 A275 A278 F282 Y290 L291L246-F254 HydrophobicContact CB-CD1 3.84Å; L246-F254 HydrophobicContact CB-CE1 4.15Å; L246-F254 HydrophobicContact CD2-CB 4.46Å; L246-F254 HydrophobicContact CD2-CD1 4.14Å; L246-L257 HydrophobicContact CD1-CD2 4.3Å; L246-L257 HydrophobicContact CD2-CB 4.39Å; L246-V273 HydrophobicContact CD1-CG1 3.52Å; L246-V273 HydrophobicContact CG-CG1 3.69Å; L246-D274 PolarHBondContact N-O 2.86Å; L246-A275 HydrophobicContact CB-CB 4.03Å; L246-A278 WeakPolarHBondContact O-CB 3.4Å; L246-F282 HydrophobicContact CB-CE2 4.42Å; L246-F282 HydrophobicContact CB-CZ 4.17Å; L246-F282 HydrophobicContact CD1-CE2 3.86Å; L246-F282 HydrophobicContact CD1-CZ 4.03Å; L246-Y290 WeakPolarHBondContact CD1-O 3.28Å; L246-L291 HydrophobicContact CD1-CD2 3.82Å
247G98.2Very high98.1Very high6 Ų613.8 Ų13.86%0.0628%0.076CC..SBendtrans90.268.4-171.900000112.2S253G247-S253 CarbonylContact C-O 3.58Å; G247-S253 WeakPolarHBondContact CA-O 3.38Å; G247-S253 PolarHBondContact N-O 3.14Å
248T98Very high98.1Very high0 Ų017.8 Ų17.80%09%0.092CC..  trans-54.8151.1176.360.60000112.4L193 T245 S250 C252 S253L193-T248 HydrophobicContact CB-CG2 4.05Å; T245-T248 HydrophobicContact CG2-CG2 3.84Å; T248-S250 VanDerWaalsContact C-N 3.35Å; T248-S250 PolarHBondContact O-N 2.91Å; T248-C252 WeakPolarHBondContact O-CA 3.35Å; T248-C252 PolarHBondContact O-N 3.27Å; T248-C252 PolarHBondContact OG1-N 3.48Å; T248-S253 WeakPolarHBondContact CG2-OG 3.48Å; T248-S253 PolarHBondContact N-O 3.38Å; T248-S253 PolarHBondContact OG1-N 3.24Å; T248-S253 PolarHBondContact OG1-OG 2.98Å
249T96.4Very high98.1Very high43 Ų4318.1 Ų18.126%0.26410%0.096SC..THydrogen-bonded Turntrans-65.3-41.1-175.5-62.30000112H195 R446H195-T249 PolarHBondContact CD2-OG1 2.94Å; H195-T249 VanDerWaalsContact CD2-OG1 3.25Å; T249-R446 PolarHBondContact O-NE 2.65Å; T249-R446 PolarHBondContact O-NH2 3.28Å
250S95.4Very high98.1Very high23 Ų2317.8 Ų17.816%0.1619%0.094CC..THydrogen-bonded Turntrans-62-58.9-176.7-60.90000112.5T248 S437 F444 R446T248-S250 VanDerWaalsContact C-N 3.35Å; T248-S250 PolarHBondContact O-N 2.91Å; S250-S437 WeakPolarHBondContact CA-OG 3.34Å; S250-S437 WeakPolarHBondContact CB-OG 3.49Å; S250-S437 PolarHBondContact OG-OG 3.41Å; S250-F444 WeakPolarHBondContact O-CE2 3.47Å; S250-R446 WeakPolarHBondContact O-CD 3.32Å; S250-R446 WeakPolarHBondContact O-CG 3.23Å; S250-R446 PolarHBondContact O-NE 3.27Å
251C95.3Very high98.1Very high11 Ų1117.5 Ų17.57%0.0749%0.093CC..THydrogen-bonded Turntrans-133.213.8-169.954.30000114.7S253 F444C251-S253 PolarHBondContact O-N 3.02Å; C251-F444 HydrophobicContact CB-CE2 4.26Å; C251-F444 HydrophobicContact CB-CZ 3.96Å
252C97.8Very high98.1Very high1 Ų122 Ų221%0.00711%0.114CC..  trans52.239.9-176.6-165.10000112.7T248 F254 V404 L407T248-C252 WeakPolarHBondContact O-CA 3.35Å; T248-C252 PolarHBondContact O-N 3.27Å; T248-C252 PolarHBondContact OG1-N 3.48Å; C252-F254 WeakPolarHBondContact O-CD2 3.26Å; C252-F254 WeakPolarHBondContact O-CE2 3.16Å; C252-V404 WeakPolarHBondContact O-CG2 3.42Å; C252-L407 HydrophobicContact CB-CB 4.08Å; C252-L407 HydrophobicContact CB-CD2 3.68Å; C252-L407 HydrophobicContact CB-CG 4.4Å
253S97.6Very high98.1Very high10 Ų1022.2 Ų22.27%0.0712%0.115CC..  trans-77.3162.417164.70000111.5F218 G247 T248 C251F218-S253 VanDerWaalsContact O-CB 3.27Å; F218-S253 WeakPolarHBondContact O-CB 3.19Å; F218-S253 PolarHBondContact O-OG 3.42Å; G247-S253 CarbonylContact C-O 3.58Å; G247-S253 WeakPolarHBondContact CA-O 3.38Å; G247-S253 PolarHBondContact N-O 3.14Å; T248-S253 WeakPolarHBondContact CG2-OG 3.48Å; T248-S253 PolarHBondContact N-O 3.38Å; T248-S253 PolarHBondContact OG1-N 3.24Å; T248-S253 PolarHBondContact OG1-OG 2.98Å; C251-S253 PolarHBondContact O-N 3.02Å
254F98.5Very high98.1Very high24 Ų2422.3 Ų22.311%0.10512%0.116CC..BIsolated β-bridgetrans-124.9116.7-175.6-67.4-98.7000108.5S219 L246 C252 A278 F282 Y290 V404 M405S219-F254 WeakPolarHBondContact CB-O 3.29Å; S219-F254 PolarHBondContact OG-O 3.47Å; L246-F254 HydrophobicContact CB-CD1 3.84Å; L246-F254 HydrophobicContact CB-CE1 4.15Å; L246-F254 HydrophobicContact CD2-CB 4.46Å; L246-F254 HydrophobicContact CD2-CD1 4.14Å; C252-F254 WeakPolarHBondContact O-CD2 3.26Å; C252-F254 WeakPolarHBondContact O-CE2 3.16Å; F254-A278 HydrophobicContact CE1-CB 3.75Å; F254-A278 HydrophobicContact CZ-CB 3.69Å; F254-F282 HydrophobicContact CE1-CE1 4.34Å; F254-F282 HydrophobicContact CE1-CZ 4.12Å; F254-Y290 HydrophobicContact CB-CD1 3.79Å; F254-Y290 HydrophobicContact CB-CE1 4.04Å; F254-Y290 AromaticContact CD1-CD1 3.38Å; F254-Y290 HydrophobicContact CD1-CD1 3.38Å; F254-Y290 HydrophobicContact CD1-CD2 4.22Å; F254-Y290 AromaticContact CD1-CE1 3.95Å; F254-Y290 HydrophobicContact CD1-CE1 3.95Å; F254-Y290 AromaticContact CD1-CG 3.54Å; F254-Y290 HydrophobicContact CD1-CG 3.54Å; F254-Y290 AromaticContact CD2-CD1 3.95Å; F254-Y290 HydrophobicContact CD2-CD1 3.95Å; F254-Y290 AromaticContact CD2-CE1 3.63Å; F254-Y290 HydrophobicContact CD2-CE1 3.63Å; F254-Y290 AromaticContact CE1-CD1 3.93Å; F254-Y290 HydrophobicContact CE1-CD1 3.93Å; F254-Y290 AromaticContact CE1-CD2 3.92Å; F254-Y290 HydrophobicContact CE1-CD2 3.92Å; F254-Y290 HydrophobicContact CE1-CE1 4.35Å; F254-Y290 HydrophobicContact CE1-CE2 4.34Å; F254-Y290 AromaticContact CE1-CG 3.7Å; F254-Y290 HydrophobicContact CE1-CG 3.7Å; F254-Y290 HydrophobicContact CE2-CD1 4.44Å; F254-Y290 HydrophobicContact CE2-CE1 4.08Å; F254-Y290 HydrophobicContact CE2-CE2 4.37Å; F254-Y290 AromaticContact CG-CD1 3.41Å; F254-Y290 HydrophobicContact CG-CD1 3.41Å; F254-Y290 VanDerWaalsContact CG-CD1 3.41Å; F254-Y290 AromaticContact CG-CE1 3.58Å; F254-Y290 HydrophobicContact CG-CE1 3.58Å; F254-Y290 HydrophobicContact CG-CG 4.06Å; F254-Y290 HydrophobicContact CZ-CD1 4.44Å; F254-Y290 HydrophobicContact CZ-CD2 4.21Å; F254-Y290 HydrophobicContact CZ-CE1 4.42Å; F254-Y290 HydrophobicContact CZ-CE2 4.19Å; F254-Y290 HydrophobicContact CZ-CG 4.34Å; F254-V404 HydrophobicContact CD2-CG2 4.31Å; F254-V404 HydrophobicContact CE2-CB 4.5Å; F254-V404 HydrophobicContact CE2-CG2 3.6Å; F254-M405 HydrophobicContact CE1-CE 3.97Å; F254-M405 HydrophobicContact CE2-CE 4.43Å; F254-M405 HydrophobicContact CZ-CE 3.47Å; F254-M405 VanDerWaalsContact CZ-CE 3.47Å; F254-M405 HydrophobicContact CZ-CG 3.96Å
255D98.6Very high98Very high3 Ų328.7 Ų28.72%0.01614%0.139CC..  trans-61.5144.2169.7-70.8-29.9000109.8S219 I220 A244 T245 L257 I260S219-D255 WeakPolarHBondContact OG-CA 3.38Å; I220-D255 PolarHBondContact N-OD1 3.13Å; A244-D255 HydrophobicContact CB-CB 4.35Å; T245-D255 PolarHBondContact N-OD2 2.94Å; T245-D255 PolarHBondContact O-N 2.9Å; D255-L257 VanDerWaalsContact C-N 3.31Å; D255-L257 PolarHBondContact O-N 3.23Å; D255-I260 HydrophobicContact CB-CD1 3.7Å
256H98.4Very high98Very high86 Ų8633.9 Ų33.940%0.39816%0.164SC..  trans-76.582.8-175-171.4-71.9000111.2S219 I220 K258 S259 I260S219-H256 PolarHBondContact OG-N 3.47Å; I220-H256 PolarHBondContact O-N 2.77Å; H256-K258 PolarHBondContact O-N 3.06Å; H256-S259 VanDerWaalsContact ND1-CB 3.28Å; H256-S259 WeakPolarHBondContact ND1-CB 3.37Å; H256-S259 PolarHBondContact ND1-N 3.25Å; H256-S259 PolarHBondContact ND1-OG 2.98Å; H256-S259 PolarHBondContact O-N 3.22Å; H256-S259 VanDerWaalsContact O-N 3.09Å; H256-S259 PolarHBondContact O-OG 3.16Å; H256-S259 VanDerWaalsContact O-OG 3.05Å; H256-I260 PolarHBondContact O-N 3.31Å; H256-I260 VanDerWaalsContact O-N 3.12Å
257L98.7Very high98Very high5 Ų534.9 Ų34.93%0.02617%0.169CC..Hα-helixtrans-52.3-47.1-168.2-177.362.3000113.5A244 L246 D255 S259 I260 G261 L271 V273 E292 I294A244-L257 HydrophobicContact CB-CD1 4.21Å; L246-L257 HydrophobicContact CD1-CD2 4.3Å; L246-L257 HydrophobicContact CD2-CB 4.39Å; D255-L257 VanDerWaalsContact C-N 3.31Å; D255-L257 PolarHBondContact O-N 3.23Å; L257-S259 VanDerWaalsContact C-N 3.34Å; L257-S259 PolarHBondContact O-N 3.27Å; L257-I260 PolarHBondContact O-N 3.42Å; L257-G261 PolarHBondContact O-N 3.32Å; L257-L271 HydrophobicContact CD1-CD2 3.96Å; L257-V273 HydrophobicContact CD1-CG2 3.58Å; L257-V273 HydrophobicContact CD2-CG2 4.4Å; L257-E292 WeakPolarHBondContact CB-O 3.21Å; L257-I294 HydrophobicContact CD2-CB 4.14Å; L257-I294 HydrophobicContact CD2-CD1 4.37Å
258K98.6Very high97.9Very high118 Ų11839.8 Ų39.851%0.51319%0.194SC..Hα-helixtrans-57.1-41.8179.5-174.3175.8-177.3174.60114.1H256 Q262 E292H256-K258 PolarHBondContact O-N 3.06Å; K258-Q262 PolarHBondContact O-N 3.06Å; K258-E292 WeakPolarHBondContact CB-O 3.39Å; K258-E292 PolarHBondContact N-O 2.99Å; K258-E292 VanDerWaalsContact N-O 3.09Å
259S98.5Very high97.9Very high26 Ų2640 Ų4018%0.18220%0.195CC..Hα-helixtrans-78.2-33.2-178.4660000111.4G222 H256 L257 V263G222-S259 PolarHBondContact N-OG 3.18Å; H256-S259 VanDerWaalsContact ND1-CB 3.28Å; H256-S259 WeakPolarHBondContact ND1-CB 3.37Å; H256-S259 PolarHBondContact ND1-N 3.25Å; H256-S259 PolarHBondContact ND1-OG 2.98Å; H256-S259 PolarHBondContact O-N 3.22Å; H256-S259 VanDerWaalsContact O-N 3.09Å; H256-S259 PolarHBondContact O-OG 3.16Å; H256-S259 VanDerWaalsContact O-OG 3.05Å; L257-S259 VanDerWaalsContact C-N 3.34Å; L257-S259 PolarHBondContact O-N 3.27Å; S259-V263 WeakPolarHBondContact O-CG2 3.38Å; S259-V263 PolarHBondContact O-N 3.37Å
260I98.9Very high98Very high2 Ų238 Ų381%0.0118%0.183CC..Hα-helixtrans-67.9-44.2172.4-69168.5000111.2I220 L225 V242 A244 D255 H256 L257 Q262 V263 C264 L271I220-I260 HydrophobicContact CB-CD1 4.2Å; I220-I260 HydrophobicContact CG2-CD1 4.31Å; L225-I260 HydrophobicContact CD2-CG2 3.89Å; V242-I260 HydrophobicContact CG1-CG2 3.81Å; A244-I260 HydrophobicContact CB-CD1 4.24Å; A244-I260 HydrophobicContact CB-CG2 4.35Å; D255-I260 HydrophobicContact CB-CD1 3.7Å; H256-I260 PolarHBondContact O-N 3.31Å; H256-I260 VanDerWaalsContact O-N 3.12Å; L257-I260 PolarHBondContact O-N 3.42Å; I260-Q262 PolarHBondContact O-N 2.98Å; I260-V263 PolarHBondContact O-N 3.3Å; I260-C264 PolarHBondContact O-N 2.97Å; I260-C264 PolarHBondContact O-SG 3.14Å; I260-L271 HydrophobicContact CG2-CD1 3.8Å; I260-L271 HydrophobicContact CG2-CD2 4.38Å
261G98.7Very high98.2Very high0 Ų037 Ų370%018%0.175CC..Hα-helixtrans-57.4-47.5178.700000112.5L257 V263 C264 R265L257-G261 PolarHBondContact O-N 3.32Å; G261-V263 PolarHBondContact O-N 3.39Å; G261-C264 PolarHBondContact O-N 3.14Å; G261-R265 WeakPolarHBondContact O-CB 3.47Å; G261-R265 PolarHBondContact O-N 3.06Å
262Q98.4Very high98.4Very high94 Ų9436.4 Ų36.444%0.43917%0.171SC..Hα-helixtrans-55.2-49.7174.5178.5176.3-6.100112K258 I260 C264 R265 E266K258-Q262 PolarHBondContact O-N 3.06Å; I260-Q262 PolarHBondContact O-N 2.98Å; Q262-C264 VanDerWaalsContact C-N 3.34Å; Q262-C264 PolarHBondContact O-N 3.34Å; Q262-R265 PolarHBondContact O-N 3.26Å; Q262-E266 WeakPolarHBondContact CG-OE1 3.36Å; Q262-E266 PolarHBondContact NE2-OE1 3.21Å; Q262-E266 WeakPolarHBondContact O-CG 3.47Å; Q262-E266 PolarHBondContact O-N 2.94Å
263V98.8Very high98.4Very high11 Ų1136.4 Ų36.47%0.06717%0.171CC..Hα-helixtrans-63.8-39.9179.6171.50000111.6L225 Q226 I229 S259 I260 G261 E266 N267L225-V263 HydrophobicContact CB-CG1 4.46Å; L225-V263 HydrophobicContact CD2-CB 4.17Å; L225-V263 HydrophobicContact CD2-CG1 3.81Å; L225-V263 HydrophobicContact CG-CG1 3.83Å; Q226-V263 HydrophobicContact CB-CG1 4.2Å; Q226-V263 HydrophobicContact CB-CG2 4.12Å; I229-V263 HydrophobicContact CD1-CG1 3.58Å; S259-V263 WeakPolarHBondContact O-CG2 3.38Å; S259-V263 PolarHBondContact O-N 3.37Å; I260-V263 PolarHBondContact O-N 3.3Å; G261-V263 PolarHBondContact O-N 3.39Å; V263-E266 PolarHBondContact O-N 2.88Å; V263-N267 WeakPolarHBondContact O-CB 3.47Å; V263-N267 PolarHBondContact O-N 3.45Å; V263-N267 PolarHBondContact O-ND2 2.85Å
264C98.8Very high98.5Very high1 Ų136.2 Ų36.21%0.00717%0.17CC..Hα-helixtrans-64-44.1177.6-660000111.5I260 G261 Q262 N267 D268 I269 L271I260-C264 PolarHBondContact O-N 2.97Å; I260-C264 PolarHBondContact O-SG 3.14Å; G261-C264 PolarHBondContact O-N 3.14Å; Q262-C264 VanDerWaalsContact C-N 3.34Å; Q262-C264 PolarHBondContact O-N 3.34Å; C264-N267 CarbonylContact O-C 3.49Å; C264-N267 PolarHBondContact O-N 2.8Å; C264-D268 PolarHBondContact O-N 3.28Å; C264-I269 HydrophobicContact CB-CB 4.29Å; C264-I269 PolarHBondContact O-N 3.17Å; C264-L271 HydrophobicContact CB-CB 4.03Å
265R97.9Very high98.5Very high135 Ų13535.1 Ų35.151%0.50917%0.165SC..Hα-helixtrans-61.5-45.7176.8-178.4177.661.6-136.4-3.3111.9G261 Q262 N267 D268 D296G261-R265 WeakPolarHBondContact O-CB 3.47Å; G261-R265 PolarHBondContact O-N 3.06Å; Q262-R265 PolarHBondContact O-N 3.26Å; R265-N267 PolarHBondContact O-N 2.85Å; R265-D268 PolarHBondContact O-N 3.12Å; R265-D296 WeakPolarHBondContact CD-OD1 3.45Å; R265-D296 IonicContact CZ-OD1 3.41Å; R265-D296 IonicContact CZ-OD2 3.81Å; R265-D296 IonicContact NE-OD1 2.65Å; R265-D296 IonicContact NH1-OD1 3.83Å; R265-D296 PolarHBondContact NH1-OD1 3.13Å; R265-D296 IonicContact NH1-OD2 3.51Å; R265-D296 PolarHBondContact NH1-OD2 2.89Å
266E97.8Very high98.5Very high112 Ų11235.1 Ų35.152%0.52317%0.165SC..Hα-helixtrans-66.1-19.9179.7-72.4170.8-169.500113.7Q262 V263Q262-E266 WeakPolarHBondContact CG-OE1 3.36Å; Q262-E266 PolarHBondContact NE2-OE1 3.21Å; Q262-E266 WeakPolarHBondContact O-CG 3.47Å; Q262-E266 PolarHBondContact O-N 2.94Å; V263-E266 PolarHBondContact O-N 2.88Å
267N97.9Very high98.5Very high22 Ų2231.1 Ų31.112%0.11815%0.147CC..THydrogen-bonded Turntrans-114.57.6-177.5-69.3-89.5000113.7Q226 K233 V263 C264 R265 I269Q226-N267 PolarHBondContact OE1-ND2 3.18Å; K233-N267 PolarHBondContact NZ-OD1 3.05Å; V263-N267 WeakPolarHBondContact O-CB 3.47Å; V263-N267 PolarHBondContact O-N 3.45Å; V263-N267 PolarHBondContact O-ND2 2.85Å; C264-N267 CarbonylContact O-C 3.49Å; C264-N267 PolarHBondContact O-N 2.8Å; R265-N267 PolarHBondContact O-N 2.85Å; N267-I269 VanDerWaalsContact C-N 3.28Å; N267-I269 HydrophobicContact CB-CD1 3.64Å; N267-I269 HydrophobicContact CB-CG1 3.82Å; N267-I269 PolarHBondContact O-N 3.09Å
268D96.8Very high98.5Very high109 Ų10930.9 Ų30.958%0.58315%0.145SC*.THydrogen-bonded Turntrans52.539.7-175.8-63.8-60.8000114.5R165 C264 R265R165-D268 VanDerWaalsContact NH1-CB 3.25Å; R165-D268 PolarHBondContact NH1-O 3.36Å; C264-D268 PolarHBondContact O-N 3.28Å; R265-D268 PolarHBondContact O-N 3.12Å
269I98.6Very high98.5Very high3 Ų325.2 Ų25.22%0.01512%0.121CC..  trans-96.1138.7-177.7-63174.6000110.2I229 P239 V242 C264 N267 L271I229-I269 HydrophobicContact CD1-CD1 3.37Å; I229-I269 HydrophobicContact CG1-CD1 3.96Å; P239-I269 HydrophobicContact CB-CD1 3.5Å; P239-I269 HydrophobicContact CB-CG1 4.03Å; V242-I269 HydrophobicContact CB-CG2 4.32Å; V242-I269 HydrophobicContact CG2-CG2 3.65Å; C264-I269 HydrophobicContact CB-CB 4.29Å; C264-I269 PolarHBondContact O-N 3.17Å; N267-I269 VanDerWaalsContact C-N 3.28Å; N267-I269 HydrophobicContact CB-CD1 3.64Å; N267-I269 HydrophobicContact CB-CG1 3.82Å; N267-I269 PolarHBondContact O-N 3.09Å; I269-L271 PolarHBondContact O-N 2.83Å
270W98.8Very high98.5Very high3 Ų324 Ų241%0.01111%0.112CC..EExtended strand (participates in β ladder)trans-70.2113.8173.6-174.2-68000110.7A157 A158 Q161 F240 Y241 V242 W298 S299 A324A157-W270 HydrophobicContact CB-CH2 3.73Å; A157-W270 HydrophobicContact CB-CZ2 4.21Å; A157-W270 HydrophobicContact CB-CZ3 4.09Å; A158-W270 HydrophobicContact CB-CB 3.44Å; A158-W270 VanDerWaalsContact CB-CB 3.44Å; A158-W270 HydrophobicContact CB-CD2 3.71Å; A158-W270 HydrophobicContact CB-CE3 3.94Å; A158-W270 HydrophobicContact CB-CG 3.52Å; Q161-W270 VanDerWaalsContact OE1-CE3 3.31Å; F240-W270 WeakPolarHBondContact O-CB 3.14Å; F240-W270 PolarHBondContact O-N 3.27Å; Y241-W270 CarbonylContact C-O 3.59Å; Y241-W270 WeakPolarHBondContact CA-O 3.45Å; Y241-W270 HydrophobicContact CD2-CB 4.1Å; Y241-W270 AromaticContact CD2-CD1 3.59Å; Y241-W270 HydrophobicContact CD2-CG 4.02Å; Y241-W270 AromaticContact CE2-CD1 3.5Å; Y241-W270 HydrophobicContact CE2-CG 4.31Å; Y241-W270 AromaticContact CE2-NE1 3.95Å; V242-W270 PolarHBondContact N-O 3.34Å; W270-W298 HydrophobicContact CD2-CB 3.48Å; W270-W298 VanDerWaalsContact CD2-CB 3.48Å; W270-W298 HydrophobicContact CD2-CD2 4.05Å; W270-W298 HydrophobicContact CD2-CE3 4.27Å; W270-W298 AromaticContact CD2-CG 3.74Å; W270-W298 HydrophobicContact CD2-CG 3.74Å; W270-W298 HydrophobicContact CE3-CB 4.06Å; W270-W298 AromaticContact CE3-CD2 3.72Å; W270-W298 HydrophobicContact CE3-CD2 3.72Å; W270-W298 AromaticContact CE3-CE3 3.62Å; W270-W298 HydrophobicContact CE3-CE3 3.62Å; W270-W298 AromaticContact CE3-CG 3.94Å; W270-W298 HydrophobicContact CE3-CG 3.94Å; W270-W298 HydrophobicContact CE3-CZ3 4.36Å; W270-W298 HydrophobicContact CG-CB 3.77Å; W270-W298 HydrophobicContact CG-CG 4Å; W270-W298 HydrophobicContact CH2-CB 4.35Å; W270-W298 AromaticContact CH2-CE3 3.8Å; W270-W298 HydrophobicContact CH2-CE3 3.8Å; W270-W298 HydrophobicContact CZ2-CB 3.82Å; W270-W298 HydrophobicContact CZ2-CE3 4.42Å; W270-W298 HydrophobicContact CZ3-CB 4.46Å; W270-W298 AromaticContact CZ3-CD2 3.97Å; W270-W298 HydrophobicContact CZ3-CD2 3.97Å; W270-W298 AromaticContact CZ3-CE3 3.36Å; W270-W298 HydrophobicContact CZ3-CE3 3.36Å; W270-W298 HydrophobicContact CZ3-CG 4.46Å; W270-W298 AromaticContact CZ3-CZ3 3.94Å; W270-W298 HydrophobicContact CZ3-CZ3 3.94Å; W270-S299 PolarHBondContact NE1-OG 3.24Å; W270-A324 HydrophobicContact CH2-CB 4.41Å; W270-A324 HydrophobicContact CZ3-CB 4.17Å
271L98.9Very high98.5Very high0 Ų023.9 Ų23.90%011%0.112CC..EExtended strand (participates in β ladder)trans-92115.8171.8175.458.1000110.8V242 A244 L257 I260 C264 I269 V273 A297 W298 S299V242-L271 HydrophobicContact CB-CD1 4.23Å; V242-L271 HydrophobicContact CG1-CD1 3.93Å; A244-L271 HydrophobicContact CB-CD1 3.8Å; L257-L271 HydrophobicContact CD1-CD2 3.96Å; I260-L271 HydrophobicContact CG2-CD1 3.8Å; I260-L271 HydrophobicContact CG2-CD2 4.38Å; C264-L271 HydrophobicContact CB-CB 4.03Å; I269-L271 PolarHBondContact O-N 2.83Å; L271-V273 HydrophobicContact CG-CG2 4.45Å; L271-A297 HydrophobicContact CD2-CB 4.34Å; L271-A297 HydrophobicContact CG-CB 4.25Å; L271-W298 PolarHBondContact O-N 3.07Å; L271-S299 PolarHBondContact O-N 2.97Å
272H98.9Very high98.5Very high0 Ų024 Ų240%011%0.112CC..EExtended strand (participates in β ladder)trans-103.2135.1167-18075.3000110.4I151 S154 Y241 V242 C243 A244 S299 N301I151-H272 WeakPolarHBondContact CG1-NE2 3.2Å; S154-H272 PolarHBondContact OG-ND1 3.28Å; Y241-H272 HydrophobicContact CE1-CB 4.39Å; Y241-H272 HydrophobicContact CE2-CB 3.73Å; Y241-H272 VanDerWaalsContact CZ-CB 3.48Å; Y241-H272 WeakPolarHBondContact OH-CB 3.4Å; Y241-H272 PolarHBondContact OH-CD2 3.22Å; Y241-H272 VanDerWaalsContact OH-CD2 3.3Å; V242-H272 PolarHBondContact O-N 3.2Å; C243-H272 CarbonylContact C-O 3.57Å; C243-H272 WeakPolarHBondContact CA-O 3.46Å; A244-H272 PolarHBondContact N-O 3.09Å; H272-S299 CarbonylContact C-O 3.59Å; H272-S299 WeakPolarHBondContact CA-O 3.49Å; H272-S299 WeakPolarHBondContact CB-OG 3.21Å; H272-S299 PolarHBondContact ND1-OG 2.86Å; H272-N301 PolarHBondContact CE1-OD1 3.37Å; H272-N301 PolarHBondContact NE2-OD1 3.38Å
273V98.9Very high98.5Very high0 Ų019.5 Ų19.50%09%0.091CC..EExtended strand (participates in β ladder)trans-106.1107176.6-177.40000109.4A244 L246 L257 L271 A275 I294 A297 S299 I300 N301A244-V273 CarbonylContact O-C 3.59Å; A244-V273 WeakPolarHBondContact O-CA 3.48Å; L246-V273 HydrophobicContact CD1-CG1 3.52Å; L246-V273 HydrophobicContact CG-CG1 3.69Å; L257-V273 HydrophobicContact CD1-CG2 3.58Å; L257-V273 HydrophobicContact CD2-CG2 4.4Å; L271-V273 HydrophobicContact CG-CG2 4.45Å; V273-A275 HydrophobicContact CG1-CB 4.45Å; V273-A275 PolarHBondContact O-N 2.88Å; V273-I294 HydrophobicContact CB-CD1 4.45Å; V273-I294 HydrophobicContact CG2-CD1 4Å; V273-A297 HydrophobicContact CG2-CB 3.79Å; V273-S299 PolarHBondContact N-O 2.87Å; V273-I300 HydrophobicContact CB-CB 4.01Å; V273-I300 HydrophobicContact CB-CD1 4.19Å; V273-I300 HydrophobicContact CB-CG1 3.93Å; V273-I300 HydrophobicContact CG1-CD1 3.94Å; V273-I300 HydrophobicContact CG1-CG1 4.08Å; V273-I300 VanDerWaalsContact O-CA 3.29Å; V273-I300 WeakPolarHBondContact O-CA 3.34Å; V273-I300 WeakPolarHBondContact O-CG1 3.44Å; V273-N301 PolarHBondContact O-N 3.28Å
274D98.9Very high98.5Very high7 Ų719 Ų194%0.0379%0.088CC..EExtended strand (participates in β ladder)trans-83.8103.8169.5-179.916.1000109.8I151 A244 T245 L246 A276 N301I151-D274 HydrophobicContact CD1-CB 4.35Å; A244-D274 PolarHBondContact O-N 2.93Å; T245-D274 CarbonylContact C-O 3.57Å; T245-D274 WeakPolarHBondContact CA-O 3.49Å; L246-D274 PolarHBondContact N-O 2.86Å; D274-A276 VanDerWaalsContact OD1-CB 3.25Å; D274-A276 WeakPolarHBondContact OD1-CB 3.49Å; D274-A276 PolarHBondContact OD1-N 2.98Å; D274-N301 WeakPolarHBondContact CA-OD1 3.5Å; D274-N301 PolarHBondContact OD1-ND2 3.48Å; D274-N301 PolarHBondContact OD1-OD1 3.12Å
275A98.8Very high98.5Very high0 Ų022.2 Ų22.20%011%0.109CC..  trans-116.934.9175.100000111L246 V273 Y277 G279 F282 I300 N301 I302L246-A275 HydrophobicContact CB-CB 4.03Å; V273-A275 HydrophobicContact CG1-CB 4.45Å; V273-A275 PolarHBondContact O-N 2.88Å; A275-Y277 VanDerWaalsContact C-N 3.33Å; A275-Y277 PolarHBondContact O-N 2.78Å; A275-Y277 VanDerWaalsContact O-N 3.17Å; A275-G279 WeakPolarHBondContact O-CA 3.26Å; A275-G279 PolarHBondContact O-N 3.12Å; A275-F282 HydrophobicContact CB-CE2 4.16Å; A275-I300 HydrophobicContact CB-CD1 4.39Å; A275-N301 CarbonylContact C-O 3.56Å; A275-N301 VanDerWaalsContact C-O 3.24Å; A275-N301 VanDerWaalsContact CA-O 3.31Å; A275-N301 WeakPolarHBondContact CA-O 3.34Å; A275-N301 WeakPolarHBondContact CB-O 3.31Å; A275-N301 PolarHBondContact N-O 3.03Å; A275-I302 HydrophobicContact CB-CG2 4.14Å
276A98.8Very high98.5Very high4 Ų419.7 Ų19.73%0.03310%0.103CC..THydrogen-bonded Turntrans-47.5-50.6-173.100000113.5A147 D274 N280 N303 K306A147-A276 HydrophobicContact CB-CB 3.83Å; D274-A276 VanDerWaalsContact OD1-CB 3.25Å; D274-A276 WeakPolarHBondContact OD1-CB 3.49Å; D274-A276 PolarHBondContact OD1-N 2.98Å; A276-N280 PolarHBondContact O-ND2 3.2Å; A276-N303 HydrophobicContact CB-CB 4.35Å; A276-N303 VanDerWaalsContact O-CB 3.23Å; A276-N303 WeakPolarHBondContact O-CB 3.36Å; A276-N303 PolarHBondContact O-N 3.26Å; A276-K306 HydrophobicContact CB-CD 4.27Å
277Y98.7Very high98.5Very high1 Ų115.4 Ų15.40%0.0048%0.082CC..THydrogen-bonded Turntrans-86.6-63.9178.5170.1-112000112.3F80 P81 A275 G279 N280 K306 W307 M405 G406F80-Y277 HydrophobicContact CB-CD2 4.09Å; F80-Y277 AromaticContact CD1-CD1 3.7Å; F80-Y277 HydrophobicContact CD1-CD1 3.7Å; F80-Y277 AromaticContact CD1-CD2 3.51Å; F80-Y277 HydrophobicContact CD1-CD2 3.51Å; F80-Y277 AromaticContact CD1-CE1 3.86Å; F80-Y277 HydrophobicContact CD1-CE1 3.86Å; F80-Y277 AromaticContact CD1-CE2 3.7Å; F80-Y277 HydrophobicContact CD1-CE2 3.7Å; F80-Y277 AromaticContact CD1-CG 3.51Å; F80-Y277 HydrophobicContact CD1-CG 3.51Å; F80-Y277 AromaticContact CD1-CZ 3.86Å; F80-Y277 HydrophobicContact CD2-CD2 4.38Å; F80-Y277 AromaticContact CD2-CG 3.96Å; F80-Y277 HydrophobicContact CD2-CG 3.96Å; F80-Y277 AromaticContact CE1-CD1 3.19Å; F80-Y277 HydrophobicContact CE1-CD1 3.19Å; F80-Y277 AromaticContact CE1-CD2 3.96Å; F80-Y277 HydrophobicContact CE1-CD2 3.96Å; F80-Y277 AromaticContact CE1-CE1 3.39Å; F80-Y277 HydrophobicContact CE1-CE1 3.39Å; F80-Y277 HydrophobicContact CE1-CE2 4.13Å; F80-Y277 AromaticContact CE1-CG 3.49Å; F80-Y277 HydrophobicContact CE1-CG 3.49Å; F80-Y277 VanDerWaalsContact CE1-CG 3.49Å; F80-Y277 AromaticContact CE1-CZ 3.86Å; F80-Y277 HydrophobicContact CE2-CD1 4.08Å; F80-Y277 AromaticContact CE2-CG 3.9Å; F80-Y277 HydrophobicContact CE2-CG 3.9Å; F80-Y277 HydrophobicContact CG-CD1 4.35Å; F80-Y277 AromaticContact CG-CD2 3.76Å; F80-Y277 HydrophobicContact CG-CD2 3.76Å; F80-Y277 HydrophobicContact CG-CE2 4.34Å; F80-Y277 AromaticContact CG-CG 3.76Å; F80-Y277 HydrophobicContact CG-CG 3.76Å; F80-Y277 AromaticContact CZ-CD1 3.41Å; F80-Y277 HydrophobicContact CZ-CD1 3.41Å; F80-Y277 VanDerWaalsContact CZ-CD1 3.41Å; F80-Y277 HydrophobicContact CZ-CE1 4.04Å; F80-Y277 AromaticContact CZ-CG 3.69Å; F80-Y277 HydrophobicContact CZ-CG 3.69Å; P81-Y277 HydrophobicContact CG-CE2 4.14Å; A275-Y277 VanDerWaalsContact C-N 3.33Å; A275-Y277 PolarHBondContact O-N 2.78Å; A275-Y277 VanDerWaalsContact O-N 3.17Å; Y277-G279 VanDerWaalsContact C-N 3.26Å; Y277-G279 PolarHBondContact O-N 3.05Å; Y277-N280 PolarHBondContact O-N 2.92Å; Y277-N280 PolarHBondContact O-ND2 3Å; Y277-K306 HydrophobicContact CD2-CB 4.5Å; Y277-W307 HydrophobicContact CD2-CB 4.16Å; Y277-W307 HydrophobicContact CD2-CD2 4.39Å; Y277-W307 HydrophobicContact CD2-CE3 4.19Å; Y277-W307 HydrophobicContact CD2-CG 4.41Å; Y277-W307 HydrophobicContact CE1-CE3 4.3Å; Y277-W307 HydrophobicContact CE1-CZ3 4.24Å; Y277-W307 HydrophobicContact CE2-CB 4.02Å; Y277-W307 AromaticContact CE2-CD2 3.56Å; Y277-W307 HydrophobicContact CE2-CD2 3.56Å; Y277-W307 AromaticContact CE2-CE3 3.55Å; Y277-W307 HydrophobicContact CE2-CE3 3.55Å; Y277-W307 AromaticContact CE2-CG 3.78Å; Y277-W307 HydrophobicContact CE2-CG 3.78Å; Y277-W307 HydrophobicContact CE2-CZ3 4.2Å; Y277-W307 AromaticContact CZ-CD2 3.91Å; Y277-W307 AromaticContact CZ-CE3 3.62Å; Y277-W307 AromaticContact CZ-CZ3 3.77Å; Y277-M405 HydrophobicContact CE1-CB 3.95Å; Y277-G406 WeakPolarHBondContact OH-CA 3.44Å; Y277-G406 PolarHBondContact OH-N 2.76Å
278A98.6Very high98.5Very high0 Ų017.3 Ų17.30%09%0.088CC..G310 helixtrans-71.7-19.9-169.100000113.5L246 F254 N280 A281 M405L246-A278 WeakPolarHBondContact O-CB 3.4Å; F254-A278 HydrophobicContact CE1-CB 3.75Å; F254-A278 HydrophobicContact CZ-CB 3.69Å; A278-N280 PolarHBondContact O-N 3.32Å; A278-A281 VanDerWaalsContact O-CB 3.3Å; A278-A281 WeakPolarHBondContact O-CB 3.18Å; A278-A281 PolarHBondContact O-N 3.18Å; A278-M405 HydrophobicContact CB-CE 4.25Å; A278-M405 HydrophobicContact CB-CG 4.17Å
279G98.5Very high98.6Very high0 Ų016.6 Ų16.60%08%0.081CC..G310 helixtrans-57.6-31.2177.700000114L126 A275 Y277 A281 F282L126-G279 WeakPolarHBondContact CD2-O 3.23Å; A275-G279 WeakPolarHBondContact O-CA 3.26Å; A275-G279 PolarHBondContact O-N 3.12Å; Y277-G279 VanDerWaalsContact C-N 3.26Å; Y277-G279 PolarHBondContact O-N 3.05Å; G279-A281 PolarHBondContact O-N 2.95Å; G279-F282 PolarHBondContact O-N 3.25Å
280N98.5Very high98.6Very high0 Ų018.9 Ų18.90%09%0.09CC..G310 helixtrans-61.6-28.7174.7-60.1-74.6000112.5A276 Y277 A278 F282 I283 N303 P304 W307 M308 I377A276-N280 PolarHBondContact O-ND2 3.2Å; Y277-N280 PolarHBondContact O-N 2.92Å; Y277-N280 PolarHBondContact O-ND2 3Å; A278-N280 PolarHBondContact O-N 3.32Å; N280-F282 VanDerWaalsContact C-N 3.3Å; N280-F282 PolarHBondContact O-N 3.48Å; N280-I283 WeakPolarHBondContact O-CG1 3.48Å; N280-N303 PolarHBondContact ND2-O 2.8Å; N280-N303 PolarHBondContact OD1-O 2.91Å; N280-N303 VanDerWaalsContact OD1-O 3.12Å; N280-P304 WeakPolarHBondContact OD1-CA 3.46Å; N280-W307 HydrophobicContact CB-CB 4.1Å; N280-M308 HydrophobicContact CB-CB 4.43Å; N280-I377 HydrophobicContact CB-CD1 4.35Å
281A98.7Very high98.5Very high0 Ų019.2 Ų19.20%09%0.092CC..G310 helixtrans-74.7-18.9-179.800000113.1A278 G279 I283 C284 F287 W307 I377 M405A278-A281 VanDerWaalsContact O-CB 3.3Å; A278-A281 WeakPolarHBondContact O-CB 3.18Å; A278-A281 PolarHBondContact O-N 3.18Å; G279-A281 PolarHBondContact O-N 2.95Å; A281-I283 PolarHBondContact O-N 3.38Å; A281-I283 VanDerWaalsContact O-N 3.11Å; A281-C284 VanDerWaalsContact O-CB 3.29Å; A281-C284 WeakPolarHBondContact O-CB 3.35Å; A281-C284 PolarHBondContact O-N 2.94Å; A281-F287 HydrophobicContact CB-CB 4.41Å; A281-F287 HydrophobicContact CB-CD2 3.79Å; A281-F287 HydrophobicContact CB-CE2 4.44Å; A281-F287 HydrophobicContact CB-CG 4.28Å; A281-F287 WeakPolarHBondContact O-CD2 3.23Å; A281-W307 HydrophobicContact CB-CE3 4.47Å; A281-W307 HydrophobicContact CB-CZ3 3.87Å; A281-I377 HydrophobicContact CB-CG2 3.83Å; A281-M405 HydrophobicContact CB-CE 4.1Å; A281-M405 HydrophobicContact CB-SD 3.6Å; A281-M405 VanDerWaalsContact CB-SD 3.6Å
282F98.7Very high98.5Very high1 Ų124.5 Ų24.50%0.00412%0.116CC..G310 helixtrans-71.7-5.9-177.4-51.9-30.7000113.7L126 L246 F254 A275 G279 N280 C284 F287 R288 Y290 L291 M405L126-F282 HydrophobicContact CD2-CB 3.87Å; L246-F282 HydrophobicContact CB-CE2 4.42Å; L246-F282 HydrophobicContact CB-CZ 4.17Å; L246-F282 HydrophobicContact CD1-CE2 3.86Å; L246-F282 HydrophobicContact CD1-CZ 4.03Å; F254-F282 HydrophobicContact CE1-CE1 4.34Å; F254-F282 HydrophobicContact CE1-CZ 4.12Å; A275-F282 HydrophobicContact CB-CE2 4.16Å; G279-F282 PolarHBondContact O-N 3.25Å; N280-F282 VanDerWaalsContact C-N 3.3Å; N280-F282 PolarHBondContact O-N 3.48Å; F282-C284 PolarHBondContact O-N 3.4Å; F282-F287 HydrophobicContact CD1-CB 4.05Å; F282-F287 VanDerWaalsContact CD1-O 3.31Å; F282-F287 WeakPolarHBondContact CD1-O 3.32Å; F282-F287 WeakPolarHBondContact CE1-O 3.39Å; F282-R288 WeakPolarHBondContact O-CG 3.4Å; F282-R288 PolarHBondContact O-NE 3.37Å; F282-Y290 HydrophobicContact CE1-CD2 4.09Å; F282-Y290 HydrophobicContact CE1-CG 4.35Å; F282-L291 HydrophobicContact CB-CD1 3.73Å; F282-L291 HydrophobicContact CB-CG 4.42Å; F282-L291 HydrophobicContact CD2-CD1 3.53Å; F282-L291 HydrophobicContact CD2-CD2 3.6Å; F282-L291 HydrophobicContact CD2-CG 3.46Å; F282-L291 VanDerWaalsContact CD2-CG 3.46Å; F282-L291 HydrophobicContact CE2-CD1 4.31Å; F282-L291 HydrophobicContact CE2-CD2 3.58Å; F282-L291 HydrophobicContact CE2-CG 3.73Å; F282-L291 HydrophobicContact CG-CD1 3.78Å; F282-L291 HydrophobicContact CG-CG 3.93Å; F282-L291 HydrophobicContact CZ-CG 4.41Å; F282-M405 HydrophobicContact CE1-CE 4.03Å
283I98.6Very high98.4Very high1 Ų124.6 Ų24.61%0.00512%0.117CC..G310 helixtrans-63.6-23.8164.472.9178.3000111.9L125 L126 N280 A281 L373 R374 I377L125-I283 HydrophobicContact CB-CB 4.37Å; L125-I283 HydrophobicContact CB-CG2 3.97Å; L125-I283 WeakPolarHBondContact O-CA 3.39Å; L126-I283 HydrophobicContact CD2-CG2 3.82Å; L126-I283 HydrophobicContact CG-CG2 4.46Å; N280-I283 WeakPolarHBondContact O-CG1 3.48Å; A281-I283 PolarHBondContact O-N 3.38Å; A281-I283 VanDerWaalsContact O-N 3.11Å; I283-L373 HydrophobicContact CD1-CB 3.71Å; I283-R374 HydrophobicContact CD1-CG 4.19Å; I283-R374 HydrophobicContact CG1-CG 3.92Å; I283-R374 PolarHBondContact O-NE 3.12Å; I283-I377 HydrophobicContact CD1-CG1 4.35Å
284C98.7Very high98.4Very high0 Ų025.1 Ų25.10%012%0.12CC..SBendtrans-88.9119.4172.4-56.70000109.2A281 F282 E286 F287A281-C284 VanDerWaalsContact O-CB 3.29Å; A281-C284 WeakPolarHBondContact O-CB 3.35Å; A281-C284 PolarHBondContact O-N 2.94Å; F282-C284 PolarHBondContact O-N 3.4Å; C284-E286 HydrophobicContact CB-CG 4.44Å; C284-E286 WeakPolarHBondContact CB-OE2 3.41Å; C284-E286 PolarHBondContact O-N 3.3Å; C284-E286 VanDerWaalsContact O-N 3.12Å; C284-F287 HydrophobicContact CB-CD2 3.71Å; C284-F287 HydrophobicContact CB-CE2 4.12Å; C284-F287 PolarHBondContact O-N 2.85Å; C284-F287 VanDerWaalsContact O-N 3.09Å
285P98.4Very high98.4Very high68 Ų6830 Ų3044%0.44214%0.143SC..G310 helixtrans-53.5-35.2-175.6-2936.2000115F287 R288P285-F287 PolarHBondContact O-N 3.34Å; P285-F287 VanDerWaalsContact O-N 3.16Å; P285-R288 WeakPolarHBondContact O-CB 3.26Å; P285-R288 PolarHBondContact O-N 3.27Å; P285-R288 VanDerWaalsContact O-N 3.11Å
286E98.4Very high98.3Very high82 Ų8230.8 Ų30.838%0.38315%0.147SC..G310 helixtrans-64.4-17.2-178.763.6-91.4-147.700114.5C284 H289 R378C284-E286 HydrophobicContact CB-CG 4.44Å; C284-E286 WeakPolarHBondContact CB-OE2 3.41Å; C284-E286 PolarHBondContact O-N 3.3Å; C284-E286 VanDerWaalsContact O-N 3.12Å; E286-H289 PolarHBondContact O-CE1 3.32Å; E286-H289 PolarHBondContact O-ND1 3.5Å; E286-R378 IonicContact OE1-CZ 3.99Å; E286-R378 VanDerWaalsContact OE1-CZ 3.31Å; E286-R378 IonicContact OE1-NE 3.4Å; E286-R378 PolarHBondContact OE1-NE 2.97Å; E286-R378 IonicContact OE1-NH2 3.38Å; E286-R378 PolarHBondContact OE1-NH2 2.96Å; E286-R378 IonicContact OE2-CZ 2.64Å; E286-R378 IonicContact OE2-NE 2.74Å; E286-R378 IonicContact OE2-NH2 2.97Å; E286-R378 PolarHBondContact OE2-NH2 2.83Å
287F98.4Very high98.3Very high22 Ų2230.6 Ų30.610%0.09615%0.146CC..G310 helixtrans-100.5-2.5177-60.3-52.7000113.4A281 F282 C284 P285 H289 Y290 I377 V381 M405A281-F287 HydrophobicContact CB-CB 4.41Å; A281-F287 HydrophobicContact CB-CD2 3.79Å; A281-F287 HydrophobicContact CB-CE2 4.44Å; A281-F287 HydrophobicContact CB-CG 4.28Å; A281-F287 WeakPolarHBondContact O-CD2 3.23Å; F282-F287 HydrophobicContact CD1-CB 4.05Å; F282-F287 VanDerWaalsContact CD1-O 3.31Å; F282-F287 WeakPolarHBondContact CD1-O 3.32Å; F282-F287 WeakPolarHBondContact CE1-O 3.39Å; C284-F287 HydrophobicContact CB-CD2 3.71Å; C284-F287 HydrophobicContact CB-CE2 4.12Å; C284-F287 PolarHBondContact O-N 2.85Å; C284-F287 VanDerWaalsContact O-N 3.09Å; P285-F287 PolarHBondContact O-N 3.34Å; P285-F287 VanDerWaalsContact O-N 3.16Å; F287-H289 VanDerWaalsContact C-N 3.25Å; F287-H289 PolarHBondContact O-N 2.99Å; F287-Y290 WeakPolarHBondContact O-CD2 3.39Å; F287-Y290 PolarHBondContact O-N 3.47Å; F287-I377 HydrophobicContact CE2-CG2 4.11Å; F287-V381 HydrophobicContact CE2-CG2 4.24Å; F287-V381 HydrophobicContact CZ-CB 4.41Å; F287-V381 HydrophobicContact CZ-CG1 4.13Å; F287-V381 HydrophobicContact CZ-CG2 3.89Å; F287-M405 HydrophobicContact CB-CE 4.14Å; F287-M405 HydrophobicContact CD1-CE 4.12Å; F287-M405 HydrophobicContact CD1-SD 4.18Å; F287-M405 HydrophobicContact CE1-SD 4.42Å; F287-M405 HydrophobicContact CG-CE 4.15Å; F287-M405 HydrophobicContact CG-SD 4.28Å
288R97.9Very high98.3Very high63 Ų6332.7 Ų32.724%0.23815%0.153CC..G310 helixtrans-72.4-14.3-175-68179.5-176.1167.8-6.6114.5L125 F282 P285 Y290 L291L125-R288 PolarHBondContact O-NH2 3.23Å; F282-R288 WeakPolarHBondContact O-CG 3.4Å; F282-R288 PolarHBondContact O-NE 3.37Å; P285-R288 WeakPolarHBondContact O-CB 3.26Å; P285-R288 PolarHBondContact O-N 3.27Å; P285-R288 VanDerWaalsContact O-N 3.11Å; R288-Y290 PolarHBondContact O-N 2.81Å; R288-Y290 VanDerWaalsContact O-N 3.16Å; R288-L291 WeakPolarHBondContact O-CB 3.37Å; R288-L291 PolarHBondContact O-N 3.01Å
289H97.9Very high98.3Very high93 Ų9332.7 Ų32.743%0.43115%0.153SC..G310 helixtrans-59.3-24.9174.861.5-85.9000112.4E286 F287 L291 E292E286-H289 PolarHBondContact O-CE1 3.32Å; E286-H289 PolarHBondContact O-ND1 3.5Å; F287-H289 VanDerWaalsContact C-N 3.25Å; F287-H289 PolarHBondContact O-N 2.99Å; H289-L291 PolarHBondContact O-N 3.06Å; H289-E292 WeakPolarHBondContact O-CG 3.21Å; H289-E292 PolarHBondContact O-N 3.17Å
290Y98Very high98.4Very high51 Ų5132.8 Ų32.820%0.215%0.154CC..G310 helixtrans-69.7-15.9171.8-65.9-65.3000114.3L246 F254 F282 F287 R288 M405L246-Y290 WeakPolarHBondContact CD1-O 3.28Å; F254-Y290 HydrophobicContact CB-CD1 3.79Å; F254-Y290 HydrophobicContact CB-CE1 4.04Å; F254-Y290 AromaticContact CD1-CD1 3.38Å; F254-Y290 HydrophobicContact CD1-CD1 3.38Å; F254-Y290 HydrophobicContact CD1-CD2 4.22Å; F254-Y290 AromaticContact CD1-CE1 3.95Å; F254-Y290 HydrophobicContact CD1-CE1 3.95Å; F254-Y290 AromaticContact CD1-CG 3.54Å; F254-Y290 HydrophobicContact CD1-CG 3.54Å; F254-Y290 AromaticContact CD2-CD1 3.95Å; F254-Y290 HydrophobicContact CD2-CD1 3.95Å; F254-Y290 AromaticContact CD2-CE1 3.63Å; F254-Y290 HydrophobicContact CD2-CE1 3.63Å; F254-Y290 AromaticContact CE1-CD1 3.93Å; F254-Y290 HydrophobicContact CE1-CD1 3.93Å; F254-Y290 AromaticContact CE1-CD2 3.92Å; F254-Y290 HydrophobicContact CE1-CD2 3.92Å; F254-Y290 HydrophobicContact CE1-CE1 4.35Å; F254-Y290 HydrophobicContact CE1-CE2 4.34Å; F254-Y290 AromaticContact CE1-CG 3.7Å; F254-Y290 HydrophobicContact CE1-CG 3.7Å; F254-Y290 HydrophobicContact CE2-CD1 4.44Å; F254-Y290 HydrophobicContact CE2-CE1 4.08Å; F254-Y290 HydrophobicContact CE2-CE2 4.37Å; F254-Y290 AromaticContact CG-CD1 3.41Å; F254-Y290 HydrophobicContact CG-CD1 3.41Å; F254-Y290 VanDerWaalsContact CG-CD1 3.41Å; F254-Y290 AromaticContact CG-CE1 3.58Å; F254-Y290 HydrophobicContact CG-CE1 3.58Å; F254-Y290 HydrophobicContact CG-CG 4.06Å; F254-Y290 HydrophobicContact CZ-CD1 4.44Å; F254-Y290 HydrophobicContact CZ-CD2 4.21Å; F254-Y290 HydrophobicContact CZ-CE1 4.42Å; F254-Y290 HydrophobicContact CZ-CE2 4.19Å; F254-Y290 HydrophobicContact CZ-CG 4.34Å; F282-Y290 HydrophobicContact CE1-CD2 4.09Å; F282-Y290 HydrophobicContact CE1-CG 4.35Å; F287-Y290 WeakPolarHBondContact O-CD2 3.39Å; F287-Y290 PolarHBondContact O-N 3.47Å; R288-Y290 PolarHBondContact O-N 2.81Å; R288-Y290 VanDerWaalsContact O-N 3.16Å; Y290-M405 HydrophobicContact CD2-CE 3.74Å; Y290-M405 HydrophobicContact CE2-CE 3.69Å
291L98.1Very high98.4Very high10 Ų1032.8 Ų32.85%0.05215%0.154CC..G310 helixtrans-92.11.8175.5-72.4175.9000113.1L246 F282 R288 H289 G293 I294 I300L246-L291 HydrophobicContact CD1-CD2 3.82Å; F282-L291 HydrophobicContact CB-CD1 3.73Å; F282-L291 HydrophobicContact CB-CG 4.42Å; F282-L291 HydrophobicContact CD2-CD1 3.53Å; F282-L291 HydrophobicContact CD2-CD2 3.6Å; F282-L291 HydrophobicContact CD2-CG 3.46Å; F282-L291 VanDerWaalsContact CD2-CG 3.46Å; F282-L291 HydrophobicContact CE2-CD1 4.31Å; F282-L291 HydrophobicContact CE2-CD2 3.58Å; F282-L291 HydrophobicContact CE2-CG 3.73Å; F282-L291 HydrophobicContact CG-CD1 3.78Å; F282-L291 HydrophobicContact CG-CG 3.93Å; F282-L291 HydrophobicContact CZ-CG 4.41Å; R288-L291 WeakPolarHBondContact O-CB 3.37Å; R288-L291 PolarHBondContact O-N 3.01Å; H289-L291 PolarHBondContact O-N 3.06Å; L291-G293 PolarHBondContact O-N 3.45Å; L291-G293 VanDerWaalsContact O-N 3.16Å; L291-I294 HydrophobicContact CB-CB 4.46Å; L291-I294 HydrophobicContact CB-CG2 4.47Å; L291-I294 HydrophobicContact CD2-CD1 4.33Å; L291-I294 HydrophobicContact CD2-CG1 4.42Å; L291-I294 VanDerWaalsContact O-CB 3.23Å; L291-I294 WeakPolarHBondContact O-CB 3.04Å; L291-I294 VanDerWaalsContact O-CG2 3.27Å; L291-I294 WeakPolarHBondContact O-CG2 3.31Å; L291-I294 PolarHBondContact O-N 2.99Å; L291-I300 HydrophobicContact CD2-CD1 3.87Å
292E98.1Very high98.4Very high111 Ų11132.8 Ų32.852%0.51915%0.154SC..THydrogen-bonded Turntrans-58.4121.5175.5-71.5180-158.900110.5L257 K258 H289L257-E292 WeakPolarHBondContact CB-O 3.21Å; K258-E292 WeakPolarHBondContact CB-O 3.39Å; K258-E292 PolarHBondContact N-O 2.99Å; K258-E292 VanDerWaalsContact N-O 3.09Å; H289-E292 WeakPolarHBondContact O-CG 3.21Å; H289-E292 PolarHBondContact O-N 3.17Å
293G97.8Very high98.4Very high2 Ų233.1 Ų33.12%0.02116%0.156CC..THydrogen-bonded Turntrans101.1-0.1-172.200000115.2L291 E295 D296L291-G293 PolarHBondContact O-N 3.45Å; L291-G293 VanDerWaalsContact O-N 3.16Å; G293-E295 VanDerWaalsContact C-OE2 3.22Å; G293-E295 WeakPolarHBondContact CA-OE2 3.43Å; G293-E295 PolarHBondContact N-OE2 2.98Å; G293-E295 PolarHBondContact O-N 3.19Å; G293-D296 PolarHBondContact O-N 3.34Å; G293-D296 VanDerWaalsContact O-N 3.13Å
294I98.5Very high98.4Very high11 Ų1133.1 Ų33.16%0.05616%0.156CC..G310 helixtrans-60.4-23.8179.5-17060.5000113.6L128 P129 L257 V273 L291 D296 A297 I300L128-I294 HydrophobicContact CD2-CG1 4.19Å; P129-I294 HydrophobicContact CG-CG2 4Å; L257-I294 HydrophobicContact CD2-CB 4.14Å; L257-I294 HydrophobicContact CD2-CD1 4.37Å; V273-I294 HydrophobicContact CB-CD1 4.45Å; V273-I294 HydrophobicContact CG2-CD1 4Å; L291-I294 HydrophobicContact CB-CB 4.46Å; L291-I294 HydrophobicContact CB-CG2 4.47Å; L291-I294 HydrophobicContact CD2-CD1 4.33Å; L291-I294 HydrophobicContact CD2-CG1 4.42Å; L291-I294 VanDerWaalsContact O-CB 3.23Å; L291-I294 WeakPolarHBondContact O-CB 3.04Å; L291-I294 VanDerWaalsContact O-CG2 3.27Å; L291-I294 WeakPolarHBondContact O-CG2 3.31Å; L291-I294 PolarHBondContact O-N 2.99Å; I294-D296 PolarHBondContact O-N 3.02Å; I294-A297 HydrophobicContact CD1-CB 3.82Å; I294-A297 VanDerWaalsContact O-CB 3.29Å; I294-A297 WeakPolarHBondContact O-CB 3.12Å; I294-A297 PolarHBondContact O-N 2.81Å; I294-I300 HydrophobicContact CD1-CB 4.19Å; I294-I300 HydrophobicContact CD1-CD1 3.76Å; I294-I300 HydrophobicContact CD1-CG2 4.43Å
295E97.8Very high98.4Very high109 Ų10933.6 Ų33.651%0.50916%0.158SC..G310 helixtrans-59.8-24.7174.762.1-83.5-167.900113.8G293G293-E295 VanDerWaalsContact C-OE2 3.22Å; G293-E295 WeakPolarHBondContact CA-OE2 3.43Å; G293-E295 PolarHBondContact N-OE2 2.98Å; G293-E295 PolarHBondContact O-N 3.19Å
296D98.1Very high98.4Very high18 Ų1832.2 Ų32.210%0.09615%0.145CC..G310 helixtrans-86.2-13.1175.9-72.5-37.7000112.9R265 G293 I294R265-D296 WeakPolarHBondContact CD-OD1 3.45Å; R265-D296 IonicContact CZ-OD1 3.41Å; R265-D296 IonicContact CZ-OD2 3.81Å; R265-D296 IonicContact NE-OD1 2.65Å; R265-D296 IonicContact NH1-OD1 3.83Å; R265-D296 PolarHBondContact NH1-OD1 3.13Å; R265-D296 IonicContact NH1-OD2 3.51Å; R265-D296 PolarHBondContact NH1-OD2 2.89Å; G293-D296 PolarHBondContact O-N 3.34Å; G293-D296 VanDerWaalsContact O-N 3.13Å; I294-D296 PolarHBondContact O-N 3.02Å
297A98.7Very high98.4Very high0 Ų028.3 Ų28.30%013%0.127CC..  trans-71.5142.9-179.900000111.7F132 L271 V273 I294 R320F132-A297 HydrophobicContact CZ-CB 4.27Å; F132-A297 WeakPolarHBondContact CZ-O 3.47Å; L271-A297 HydrophobicContact CD2-CB 4.34Å; L271-A297 HydrophobicContact CG-CB 4.25Å; V273-A297 HydrophobicContact CG2-CB 3.79Å; I294-A297 HydrophobicContact CD1-CB 3.82Å; I294-A297 VanDerWaalsContact O-CB 3.29Å; I294-A297 WeakPolarHBondContact O-CB 3.12Å; I294-A297 PolarHBondContact O-N 2.81Å; A297-R320 WeakPolarHBondContact O-CD 3.18Å
298W98.7Very high98.3Very high45 Ų4527.3 Ų27.317%0.1712%0.123CC..SBendtrans-84.8-30.8168-82.677.8000112.6Q161 W270 L271 V319 R320 D321 A324Q161-W298 VanDerWaalsContact NE2-CH2 3.29Å; W270-W298 HydrophobicContact CD2-CB 3.48Å; W270-W298 VanDerWaalsContact CD2-CB 3.48Å; W270-W298 HydrophobicContact CD2-CD2 4.05Å; W270-W298 HydrophobicContact CD2-CE3 4.27Å; W270-W298 AromaticContact CD2-CG 3.74Å; W270-W298 HydrophobicContact CD2-CG 3.74Å; W270-W298 HydrophobicContact CE3-CB 4.06Å; W270-W298 AromaticContact CE3-CD2 3.72Å; W270-W298 HydrophobicContact CE3-CD2 3.72Å; W270-W298 AromaticContact CE3-CE3 3.62Å; W270-W298 HydrophobicContact CE3-CE3 3.62Å; W270-W298 AromaticContact CE3-CG 3.94Å; W270-W298 HydrophobicContact CE3-CG 3.94Å; W270-W298 HydrophobicContact CE3-CZ3 4.36Å; W270-W298 HydrophobicContact CG-CB 3.77Å; W270-W298 HydrophobicContact CG-CG 4Å; W270-W298 HydrophobicContact CH2-CB 4.35Å; W270-W298 AromaticContact CH2-CE3 3.8Å; W270-W298 HydrophobicContact CH2-CE3 3.8Å; W270-W298 HydrophobicContact CZ2-CB 3.82Å; W270-W298 HydrophobicContact CZ2-CE3 4.42Å; W270-W298 HydrophobicContact CZ3-CB 4.46Å; W270-W298 AromaticContact CZ3-CD2 3.97Å; W270-W298 HydrophobicContact CZ3-CD2 3.97Å; W270-W298 AromaticContact CZ3-CE3 3.36Å; W270-W298 HydrophobicContact CZ3-CE3 3.36Å; W270-W298 HydrophobicContact CZ3-CG 4.46Å; W270-W298 AromaticContact CZ3-CZ3 3.94Å; W270-W298 HydrophobicContact CZ3-CZ3 3.94Å; L271-W298 PolarHBondContact O-N 3.07Å; W298-V319 WeakPolarHBondContact O-CA 3.44Å; W298-R320 HydrophobicContact CB-CG 4.46Å; W298-R320 HydrophobicContact CD2-CG 4.16Å; W298-R320 HydrophobicContact CE3-CG 3.87Å; W298-R320 HydrophobicContact CG-CG 4.43Å; W298-R320 HydrophobicContact CZ3-CG 4.44Å; W298-R320 PolarHBondContact O-N 2.89Å; W298-D321 HydrophobicContact CZ3-CB 4.08Å; W298-A324 HydrophobicContact CZ3-CB 4.05Å
299S98.9Very high98.4Very high0 Ų024.5 Ų24.50%011%0.112CC..EExtended strand (participates in β ladder)trans-153.8153-177.253.50000111.7W270 L271 H272 V273 W318W270-S299 PolarHBondContact NE1-OG 3.24Å; L271-S299 PolarHBondContact O-N 2.97Å; H272-S299 CarbonylContact C-O 3.59Å; H272-S299 WeakPolarHBondContact CA-O 3.49Å; H272-S299 WeakPolarHBondContact CB-OG 3.21Å; H272-S299 PolarHBondContact ND1-OG 2.86Å; V273-S299 PolarHBondContact N-O 2.87Å; S299-W318 CarbonylContact C-O 3.36Å; S299-W318 WeakPolarHBondContact CA-O 3.49Å; S299-W318 WeakPolarHBondContact CB-O 3.21Å
300I98.9Very high98.4Very high1 Ų120.1 Ų20.11%0.0059%0.092CC..EExtended strand (participates in β ladder)trans-141.9142.6174.1177.7165.4000109.5L128 F132 V273 A275 L291 I294 M317 W318L128-I300 HydrophobicContact CD1-CG2 4.1Å; L128-I300 HydrophobicContact CD2-CD1 4.31Å; L128-I300 HydrophobicContact CD2-CG2 4.24Å; F132-I300 HydrophobicContact CE1-CG2 4.32Å; V273-I300 HydrophobicContact CB-CB 4.01Å; V273-I300 HydrophobicContact CB-CD1 4.19Å; V273-I300 HydrophobicContact CB-CG1 3.93Å; V273-I300 HydrophobicContact CG1-CD1 3.94Å; V273-I300 HydrophobicContact CG1-CG1 4.08Å; V273-I300 VanDerWaalsContact O-CA 3.29Å; V273-I300 WeakPolarHBondContact O-CA 3.34Å; V273-I300 WeakPolarHBondContact O-CG1 3.44Å; A275-I300 HydrophobicContact CB-CD1 4.39Å; L291-I300 HydrophobicContact CD2-CD1 3.87Å; I294-I300 HydrophobicContact CD1-CB 4.19Å; I294-I300 HydrophobicContact CD1-CD1 3.76Å; I294-I300 HydrophobicContact CD1-CG2 4.43Å; I300-M317 CarbonylContact O-C 3.43Å; I300-M317 WeakPolarHBondContact O-CA 3.21Å; I300-W318 HydrophobicContact CG2-CB 4.2Å; I300-W318 HydrophobicContact CG2-CE3 4.2Å; I300-W318 PolarHBondContact N-O 2.91Å; I300-W318 PolarHBondContact O-N 3.5Å
301N98.9Very high98.4Very high0 Ų018.1 Ų18.10%09%0.086CC..EExtended strand (participates in β ladder)trans-121.4148.2167.873.3-83.4000113.4A147 C150 H272 V273 D274 A275 L316 M317A147-N301 WeakPolarHBondContact CB-ND2 3.13Å; C150-N301 HydrophobicContact CB-CB 3.63Å; H272-N301 PolarHBondContact CE1-OD1 3.37Å; H272-N301 PolarHBondContact NE2-OD1 3.38Å; V273-N301 PolarHBondContact O-N 3.28Å; D274-N301 WeakPolarHBondContact CA-OD1 3.5Å; D274-N301 PolarHBondContact OD1-ND2 3.48Å; D274-N301 PolarHBondContact OD1-OD1 3.12Å; A275-N301 CarbonylContact C-O 3.56Å; A275-N301 VanDerWaalsContact C-O 3.24Å; A275-N301 VanDerWaalsContact CA-O 3.31Å; A275-N301 WeakPolarHBondContact CA-O 3.34Å; A275-N301 WeakPolarHBondContact CB-O 3.31Å; A275-N301 PolarHBondContact N-O 3.03Å; N301-L316 CarbonylContact C-O 3.42Å; N301-L316 WeakPolarHBondContact CA-O 3.48Å; N301-L316 VanDerWaalsContact CB-O 3.3Å; N301-L316 WeakPolarHBondContact CB-O 3.34Å; N301-M317 HydrophobicContact CB-CB 4.48Å
302I98.7Very high98.3Very high1 Ų124 Ų241%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-132156.9165.575.7161.8000109.6I122 L126 A275 P304 L316 W318I122-I302 HydrophobicContact CG2-CD1 4.07Å; L126-I302 HydrophobicContact CD1-CD1 3.91Å; L126-I302 HydrophobicContact CD1-CG2 4.4Å; L126-I302 HydrophobicContact CD2-CD1 4.19Å; A275-I302 HydrophobicContact CB-CG2 4.14Å; I302-P304 WeakPolarHBondContact O-CD 3.5Å; I302-L316 HydrophobicContact CG1-CB 4.27Å; I302-L316 HydrophobicContact CG1-CD1 4.35Å; I302-L316 PolarHBondContact N-O 2.96Å; I302-L316 PolarHBondContact O-N 3.31Å; I302-W318 HydrophobicContact CD1-CH2 4.24Å; I302-W318 HydrophobicContact CG1-CH2 3.93Å; I302-W318 HydrophobicContact CG1-CZ3 3.86Å; I302-W318 HydrophobicContact CG2-CZ3 4.41Å
303N98.8Very high98.3Very high8 Ų819.8 Ų19.84%0.0439%0.094CC..  trans-114.197.3176.7-78.121.2000110.9A276 N280 N305 K306 S315A276-N303 HydrophobicContact CB-CB 4.35Å; A276-N303 VanDerWaalsContact O-CB 3.23Å; A276-N303 WeakPolarHBondContact O-CB 3.36Å; A276-N303 PolarHBondContact O-N 3.26Å; N280-N303 PolarHBondContact ND2-O 2.8Å; N280-N303 PolarHBondContact OD1-O 2.91Å; N280-N303 VanDerWaalsContact OD1-O 3.12Å; N303-N305 WeakPolarHBondContact CB-OD1 3.38Å; N303-N305 PolarHBondContact ND2-OD1 3.07Å; N303-N305 PolarHBondContact O-N 2.95Å; N303-N305 VanDerWaalsContact O-N 3.14Å; N303-K306 HydrophobicContact CB-CB 4.06Å; N303-K306 HydrophobicContact CB-CD 4Å; N303-K306 HydrophobicContact CB-CG 3.76Å; N303-K306 WeakPolarHBondContact O-CB 3.31Å; N303-K306 PolarHBondContact O-N 3.34Å; N303-S315 WeakPolarHBondContact OD1-CB 3.27Å; N303-S315 PolarHBondContact OD1-OG 3.42Å
304P98.6Very high98.3Very high0 Ų019.7 Ų19.70%09%0.093CC..Hα-helixtrans-52.9-30.9167.1-3138.5000113A83 N280 I302 K306 M308 V310 C314 L316 L361A83-P304 WeakPolarHBondContact CB-O 3.33Å; N280-P304 WeakPolarHBondContact OD1-CA 3.46Å; I302-P304 WeakPolarHBondContact O-CD 3.5Å; P304-K306 PolarHBondContact O-N 3.12Å; P304-M308 HydrophobicContact CB-CB 4.16Å; P304-M308 HydrophobicContact CB-CE 3.79Å; P304-M308 HydrophobicContact CG-CE 3.78Å; P304-M308 PolarHBondContact O-N 3.09Å; P304-V310 HydrophobicContact CB-CB 3.86Å; P304-V310 HydrophobicContact CB-CG1 4.45Å; P304-V310 HydrophobicContact CB-CG2 3.82Å; P304-C314 VanDerWaalsContact CD-O 3.29Å; P304-C314 WeakPolarHBondContact CD-O 3.35Å; P304-L316 HydrophobicContact CG-CD1 3.45Å; P304-L316 VanDerWaalsContact CG-CD1 3.45Å; P304-L316 HydrophobicContact CG-CG 4.05Å; P304-L361 HydrophobicContact CB-CD2 3.8Å; P304-L361 HydrophobicContact CG-CD2 3.83Å
305N98.2Very high98.3Very high10 Ų1019.2 Ų19.25%0.0539%0.09CC..Hα-helixtrans-72.9-0.5174.374-20.1000116.2A83 N303 V310 H312 C314A83-N305 PolarHBondContact N-O 2.64Å; N303-N305 WeakPolarHBondContact CB-OD1 3.38Å; N303-N305 PolarHBondContact ND2-OD1 3.07Å; N303-N305 PolarHBondContact O-N 2.95Å; N303-N305 VanDerWaalsContact O-N 3.14Å; N305-V310 WeakPolarHBondContact CA-O 3.45Å; N305-H312 HydrophobicContact CB-CB 4.4Å; N305-H312 PolarHBondContact ND2-CD2 3.11Å; N305-C314 HydrophobicContact CB-CB 4.16Å; N305-C314 VanDerWaalsContact CG-O 3.31Å; N305-C314 PolarHBondContact N-O 3.28Å; N305-C314 PolarHBondContact ND2-N 3.41Å; N305-C314 PolarHBondContact OD1-O 2.95Å; N305-C314 VanDerWaalsContact OD1-O 3.05Å
306K98.6Very high98.4Very high40 Ų4014 Ų1417%0.1747%0.066CC..Hα-helixtrans-95.2-57.2165.9-72.7-175.2178.3178.10111.7F80 P81 A83 A276 Y277 N303 P304F80-K306 HydrophobicContact CB-CD 4.39Å; P81-K306 CarbonylContact C-O 3.52Å; P81-K306 VanDerWaalsContact CB-O 3.27Å; P81-K306 WeakPolarHBondContact CB-O 3.41Å; P81-K306 CarbonylContact O-C 3.5Å; P81-K306 VanDerWaalsContact O-CA 3.23Å; P81-K306 WeakPolarHBondContact O-CA 3.42Å; P81-K306 VanDerWaalsContact O-O 3.09Å; A83-K306 WeakPolarHBondContact CB-O 3.34Å; A83-K306 PolarHBondContact N-O 2.96Å; A276-K306 HydrophobicContact CB-CD 4.27Å; Y277-K306 HydrophobicContact CD2-CB 4.5Å; N303-K306 HydrophobicContact CB-CB 4.06Å; N303-K306 HydrophobicContact CB-CD 4Å; N303-K306 HydrophobicContact CB-CG 3.76Å; N303-K306 WeakPolarHBondContact O-CB 3.31Å; N303-K306 PolarHBondContact O-N 3.34Å; P304-K306 PolarHBondContact O-N 3.12Å
307W98.3Very high98.4Very high0 Ų013.1 Ų13.10%06%0.061CC..Hα-helixtrans-141.929.4-164.9-154.428.7000114.3P81 Y277 N280 A281 Y376 I377 H380 V381 M405P81-W307 HydrophobicContact CG-CG 4.39Å; Y277-W307 HydrophobicContact CD2-CB 4.16Å; Y277-W307 HydrophobicContact CD2-CD2 4.39Å; Y277-W307 HydrophobicContact CD2-CE3 4.19Å; Y277-W307 HydrophobicContact CD2-CG 4.41Å; Y277-W307 HydrophobicContact CE1-CE3 4.3Å; Y277-W307 HydrophobicContact CE1-CZ3 4.24Å; Y277-W307 HydrophobicContact CE2-CB 4.02Å; Y277-W307 AromaticContact CE2-CD2 3.56Å; Y277-W307 HydrophobicContact CE2-CD2 3.56Å; Y277-W307 AromaticContact CE2-CE3 3.55Å; Y277-W307 HydrophobicContact CE2-CE3 3.55Å; Y277-W307 AromaticContact CE2-CG 3.78Å; Y277-W307 HydrophobicContact CE2-CG 3.78Å; Y277-W307 HydrophobicContact CE2-CZ3 4.2Å; Y277-W307 AromaticContact CZ-CD2 3.91Å; Y277-W307 AromaticContact CZ-CE3 3.62Å; Y277-W307 AromaticContact CZ-CZ3 3.77Å; N280-W307 HydrophobicContact CB-CB 4.1Å; A281-W307 HydrophobicContact CB-CE3 4.47Å; A281-W307 HydrophobicContact CB-CZ3 3.87Å; W307-Y376 AromaticContact CD1-CE1 3.86Å; W307-Y376 WeakPolarHBondContact O-CE1 3.43Å; W307-I377 HydrophobicContact CB-CD1 4.48Å; W307-I377 HydrophobicContact CD2-CD1 3.56Å; W307-I377 HydrophobicContact CE3-CD1 3.78Å; W307-I377 HydrophobicContact CG-CD1 3.89Å; W307-I377 HydrophobicContact CH2-CG2 4.1Å; W307-I377 HydrophobicContact CZ2-CD1 4.36Å; W307-I377 HydrophobicContact CZ2-CG2 4.42Å; W307-I377 HydrophobicContact CZ3-CD1 4.27Å; W307-I377 HydrophobicContact CZ3-CG2 4.35Å; W307-I377 WeakPolarHBondContact O-CD1 3.06Å; W307-H380 AromaticContact CD1-ND1 3.92Å; W307-H380 HydrophobicContact CZ2-CB 3.57Å; W307-H380 AromaticContact NE1-CE1 3.95Å; W307-H380 AromaticContact NE1-CG 3.51Å; W307-H380 AromaticContact NE1-ND1 3.11Å; W307-H380 PolarHBondContact NE1-ND1 2.92Å; W307-H380 VanDerWaalsContact NE1-ND1 3.11Å; W307-V381 HydrophobicContact CH2-CG2 3.81Å; W307-V381 HydrophobicContact CZ2-CG2 4.27Å; W307-M405 HydrophobicContact CH2-CB 3.83Å; W307-M405 HydrophobicContact CZ3-CB 3.84Å; W307-M405 HydrophobicContact CZ3-CG 4.37Å; W307-M405 HydrophobicContact CZ3-SD 4.26Å
308M97.9Very high98.4Very high1 Ų113.1 Ų13.11%0.0056%0.061CC..SBendtrans-133.327.7178.6-152.9171.575.700113.6I122 N280 P304 V310 L361 L373I122-M308 HydrophobicContact CD1-CE 3.83Å; I122-M308 HydrophobicContact CG1-CE 4.29Å; N280-M308 HydrophobicContact CB-CB 4.43Å; P304-M308 HydrophobicContact CB-CB 4.16Å; P304-M308 HydrophobicContact CB-CE 3.79Å; P304-M308 HydrophobicContact CG-CE 3.78Å; P304-M308 PolarHBondContact O-N 3.09Å; M308-V310 PolarHBondContact O-N 3.45Å; M308-L361 HydrophobicContact CE-CD2 4.1Å; M308-L373 HydrophobicContact CG-CD1 4.36Å; M308-L373 HydrophobicContact CG-CD2 4.25Å
309L98.3Very high98.4Very high3 Ų311.1 Ų11.12%0.0165%0.054CC..SBendtrans63.718.7175.3-57.5178.1000115.8S85 V364 Y368 L373 Y376 E452S85-L309 VanDerWaalsContact CB-O 3.31Å; S85-L309 WeakPolarHBondContact CB-O 3.43Å; S85-L309 PolarHBondContact OG-O 3Å; L309-V364 HydrophobicContact CB-CG1 4.19Å; L309-Y368 HydrophobicContact CB-CE2 4.38Å; L309-Y368 HydrophobicContact CD1-CD1 4.18Å; L309-Y368 HydrophobicContact CD1-CD2 4.22Å; L309-Y368 HydrophobicContact CD1-CE1 3.88Å; L309-Y368 HydrophobicContact CD1-CE2 3.94Å; L309-Y368 HydrophobicContact CD1-CG 4.33Å; L309-L373 HydrophobicContact CD1-CD2 4.21Å; L309-Y376 HydrophobicContact CD1-CD1 4.24Å; L309-Y376 HydrophobicContact CD1-CD2 4.21Å; L309-Y376 HydrophobicContact CD1-CG 4.01Å; L309-Y376 HydrophobicContact CD2-CD1 4.29Å; L309-Y376 HydrophobicContact CD2-CD2 4Å; L309-Y376 HydrophobicContact CD2-CE1 3.89Å; L309-Y376 HydrophobicContact CD2-CE2 3.56Å; L309-Y376 HydrophobicContact CD2-CG 4.34Å; L309-Y376 VanDerWaalsContact CD2-CZ 3.49Å; L309-Y376 HydrophobicContact CG-CD1 3.98Å; L309-Y376 HydrophobicContact CG-CD2 4.32Å; L309-Y376 HydrophobicContact CG-CE1 3.92Å; L309-Y376 HydrophobicContact CG-CE2 4.26Å; L309-Y376 HydrophobicContact CG-CG 4.18Å; L309-E452 HydrophobicContact CD2-CB 4.32Å; L309-E452 HydrophobicContact CD2-CG 3.71Å
310V98.5Very high98.4Very high1 Ų115.5 Ų15.51%0.0067%0.07CC..PPolyproline II helixtrans-103.7129.8178-176.30000109.3A83 P304 N305 M308 C314 K360 L361 V364A83-V310 CarbonylContact C-O 3.57Å; A83-V310 CarbonylContact O-C 3.52Å; P304-V310 HydrophobicContact CB-CB 3.86Å; P304-V310 HydrophobicContact CB-CG1 4.45Å; P304-V310 HydrophobicContact CB-CG2 3.82Å; N305-V310 WeakPolarHBondContact CA-O 3.45Å; M308-V310 PolarHBondContact O-N 3.45Å; V310-C314 HydrophobicContact CG1-CB 3.81Å; V310-K360 HydrophobicContact CG1-CB 4.36Å; V310-K360 HydrophobicContact CG1-CD 3.56Å; V310-K360 HydrophobicContact CG1-CG 3.79Å; V310-L361 HydrophobicContact CB-CD2 4.49Å; V310-L361 HydrophobicContact CG1-CD2 4.25Å; V310-L361 HydrophobicContact CG2-CD2 3.69Å; V310-V364 HydrophobicContact CG2-CB 4.19Å; V310-V364 HydrophobicContact CG2-CG1 4.08Å; V310-V364 HydrophobicContact CG2-CG2 4.11Å
311S97.6Very high98.3Very high10 Ų1017.7 Ų17.77%0.078%0.082CC..PPolyproline II helixtrans-59.3152.7176.752.80000112.3A83 S88 D92 K360A83-S311 WeakPolarHBondContact O-CA 3.3Å; S88-S311 WeakPolarHBondContact OG-CB 3.46Å; S88-S311 PolarHBondContact OG-N 2.76Å; S88-S311 PolarHBondContact OG-OG 2.88Å; D92-S311 PolarHBondContact OD2-OG 3.35Å; S311-K360 PolarHBondContact O-NZ 3.39Å; S311-K360 WeakPolarHBondContact OG-CD 3.32Å
312H96.5Very high98.2Very high134 Ų13418.7 Ų18.762%0.629%0.089SC*.SBendtrans-63.5144.7168.2-178.4-77.8000111.6N305N305-H312 HydrophobicContact CB-CB 4.4Å; N305-H312 PolarHBondContact ND2-CD2 3.11Å
313D97.8Very high98.1Very high22 Ų2225.6 Ų25.612%0.11812%0.119CC..SBendcis-88.8137.7-7.262-51000112.1S145 R355 R357 K360S145-D313 WeakPolarHBondContact CA-OD2 3.27Å; S145-D313 WeakPolarHBondContact CB-OD2 3.31Å; S145-D313 WeakPolarHBondContact O-CB 3.28Å; S145-D313 PolarHBondContact OG-OD2 3.16Å; D313-R355 IonicContact OD1-CZ 3.85Å; D313-R355 IonicContact OD1-NE 2.81Å; D313-R355 PolarHBondContact OD1-NE 3Å; D313-R355 IonicContact OD1-NH2 3.87Å; D313-R355 PolarHBondContact OD1-NH2 3.11Å; D313-R355 IonicContact OD2-NE 3.91Å; D313-R357 IonicContact OD2-CZ 3.14Å; D313-R357 IonicContact OD2-NE 2.65Å; D313-R357 PolarHBondContact OD2-NE 3.28Å; D313-R357 IonicContact OD2-NH2 3.97Å; D313-R357 PolarHBondContact OD2-NH2 3.45Å; D313-R357 VanDerWaalsContact OD2-NH2 3.14Å; D313-K360 VanDerWaalsContact O-CE 3.22Å; D313-K360 WeakPolarHBondContact O-CE 3.35Å; D313-K360 PolarHBondContact O-NZ 3.26Å
314C98.5Very high98Very high0 Ų026 Ų260%012%0.123CC..  trans-165.797.1173.7-168.20000110.2P304 N305 V310P304-C314 VanDerWaalsContact CD-O 3.29Å; P304-C314 WeakPolarHBondContact CD-O 3.35Å; N305-C314 HydrophobicContact CB-CB 4.16Å; N305-C314 VanDerWaalsContact CG-O 3.31Å; N305-C314 PolarHBondContact N-O 3.28Å; N305-C314 PolarHBondContact ND2-N 3.41Å; N305-C314 PolarHBondContact OD1-O 2.95Å; N305-C314 VanDerWaalsContact OD1-O 3.05Å; V310-C314 HydrophobicContact CG1-CB 3.81Å
315S98.7Very high97.9Very high0 Ų026 Ų260%012%0.123CC..EExtended strand (participates in β ladder)trans-118126.6171.1-171.70000108.9I143 Q144 S146 A147 C150 N303I143-S315 CarbonylContact C-O 3.46Å; I143-S315 VanDerWaalsContact CA-O 3.3Å; I143-S315 WeakPolarHBondContact CA-O 3.17Å; Q144-S315 PolarHBondContact N-O 3.47Å; Q144-S315 PolarHBondContact O-N 2.71Å; S146-S315 VanDerWaalsContact C-CB 3.46Å; A147-S315 PolarHBondContact N-OG 3.47Å; C150-S315 PolarHBondContact SG-OG 2.74Å; N303-S315 WeakPolarHBondContact OD1-CB 3.27Å; N303-S315 PolarHBondContact OD1-OG 3.42Å
316L98.8Very high97.9Very high0 Ų027.1 Ų27.10%013%0.131CC..EExtended strand (participates in β ladder)trans-96.3133.1177.1-70.5159.6000108.7I122 I143 N301 I302 P304 W318 L361I122-L316 HydrophobicContact CB-CD1 4.22Å; I122-L316 HydrophobicContact CD1-CD1 3.31Å; I122-L316 HydrophobicContact CG1-CD1 4.35Å; I122-L316 HydrophobicContact CG2-CD1 3.88Å; I143-L316 HydrophobicContact CG1-CD2 3.63Å; N301-L316 CarbonylContact C-O 3.42Å; N301-L316 WeakPolarHBondContact CA-O 3.48Å; N301-L316 VanDerWaalsContact CB-O 3.3Å; N301-L316 WeakPolarHBondContact CB-O 3.34Å; I302-L316 HydrophobicContact CG1-CB 4.27Å; I302-L316 HydrophobicContact CG1-CD1 4.35Å; I302-L316 PolarHBondContact N-O 2.96Å; I302-L316 PolarHBondContact O-N 3.31Å; P304-L316 HydrophobicContact CG-CD1 3.45Å; P304-L316 VanDerWaalsContact CG-CD1 3.45Å; P304-L316 HydrophobicContact CG-CG 4.05Å; L316-W318 HydrophobicContact CB-CE3 4.27Å; L316-W318 HydrophobicContact CB-CH2 3.36Å; L316-W318 HydrophobicContact CB-CZ2 4.01Å; L316-W318 HydrophobicContact CB-CZ3 3.51Å; L316-W318 HydrophobicContact CD1-CH2 3.64Å; L316-W318 HydrophobicContact CD1-CZ2 4.07Å; L316-W318 HydrophobicContact CD2-CZ2 4.47Å; L316-W318 HydrophobicContact CG-CH2 4.03Å; L316-W318 HydrophobicContact CG-CZ2 4.43Å; L316-L361 HydrophobicContact CD1-CD1 4.39Å; L316-L361 HydrophobicContact CD2-CD1 4.05Å; L316-L361 HydrophobicContact CG-CD1 4.48Å
317M98.8Very high97.7Very high0 Ų032 Ų320%015%0.152CC..EExtended strand (participates in β ladder)trans-123.7130.1170.8-176.4-178.875.800108.9G141 V142 C150 V153 I300 N301 V319 L325G141-M317 CarbonylContact C-O 3.57Å; G141-M317 VanDerWaalsContact CA-O 3.23Å; G141-M317 WeakPolarHBondContact CA-O 3.49Å; V142-M317 HydrophobicContact CG1-CB 4.22Å; V142-M317 HydrophobicContact CG1-CE 3.76Å; V142-M317 PolarHBondContact N-O 2.8Å; V142-M317 PolarHBondContact O-N 3.44Å; C150-M317 HydrophobicContact CB-CB 4.11Å; C150-M317 HydrophobicContact CB-CG 4.21Å; C150-M317 HydrophobicContact CB-SD 3.94Å; V153-M317 HydrophobicContact CB-CE 4.45Å; V153-M317 HydrophobicContact CG1-CE 3.8Å; V153-M317 HydrophobicContact CG1-SD 4.47Å; I300-M317 CarbonylContact O-C 3.43Å; I300-M317 WeakPolarHBondContact O-CA 3.21Å; N301-M317 HydrophobicContact CB-CB 4.48Å; M317-V319 HydrophobicContact CE-CG1 4.16Å; M317-L325 HydrophobicContact CE-CD2 3.88Å
318W98.9Very high97.6Very high0 Ų033.2 Ų33.20%016%0.161CC..EExtended strand (participates in β ladder)trans-109.3144.9168.4-60.8-102000110.1C119 I122 L126 L128 F132 G140 G141 S299 I300 I302 L316C119-W318 PolarHBondContact O-NE1 3.42Å; I122-W318 HydrophobicContact CB-CH2 4.36Å; I122-W318 HydrophobicContact CB-CZ2 3.97Å; I122-W318 HydrophobicContact CG2-CH2 3.69Å; I122-W318 HydrophobicContact CG2-CZ2 3.8Å; L126-W318 HydrophobicContact CD1-CH2 3.7Å; L126-W318 HydrophobicContact CD1-CZ2 4.3Å; L126-W318 HydrophobicContact CD1-CZ3 4Å; L128-W318 HydrophobicContact CD1-CB 4.36Å; L128-W318 HydrophobicContact CD1-CD2 3.72Å; L128-W318 HydrophobicContact CD1-CE3 3.98Å; L128-W318 HydrophobicContact CD1-CG 3.9Å; F132-W318 HydrophobicContact CB-CB 4.04Å; F132-W318 HydrophobicContact CD1-CB 3.58Å; F132-W318 HydrophobicContact CE1-CB 4.44Å; F132-W318 HydrophobicContact CG-CB 4.2Å; F132-W318 VanDerWaalsContact O-CD1 3.31Å; G140-W318 WeakPolarHBondContact O-CA 3.42Å; G141-W318 VanDerWaalsContact CA-CD1 3.43Å; S299-W318 CarbonylContact C-O 3.36Å; S299-W318 WeakPolarHBondContact CA-O 3.49Å; S299-W318 WeakPolarHBondContact CB-O 3.21Å; I300-W318 HydrophobicContact CG2-CB 4.2Å; I300-W318 HydrophobicContact CG2-CE3 4.2Å; I300-W318 PolarHBondContact N-O 2.91Å; I300-W318 PolarHBondContact O-N 3.5Å; I302-W318 HydrophobicContact CD1-CH2 4.24Å; I302-W318 HydrophobicContact CG1-CH2 3.93Å; I302-W318 HydrophobicContact CG1-CZ3 3.86Å; I302-W318 HydrophobicContact CG2-CZ3 4.41Å; L316-W318 HydrophobicContact CB-CE3 4.27Å; L316-W318 HydrophobicContact CB-CH2 3.36Å; L316-W318 HydrophobicContact CB-CZ2 4.01Å; L316-W318 HydrophobicContact CB-CZ3 3.51Å; L316-W318 HydrophobicContact CD1-CH2 3.64Å; L316-W318 HydrophobicContact CD1-CZ2 4.07Å; L316-W318 HydrophobicContact CD2-CZ2 4.47Å; L316-W318 HydrophobicContact CG-CH2 4.03Å; L316-W318 HydrophobicContact CG-CZ2 4.43Å
319V98.7Very high97.5Very high2 Ų234.8 Ų34.81%0.01217%0.168CC..EExtended strand (participates in β ladder)trans-122142172.2-64.60000109.6F132 G139 G140 W298 M317 D321 L325F132-V319 VanDerWaalsContact CD1-C 3.44Å; G139-V319 WeakPolarHBondContact CA-O 3.45Å; G140-V319 PolarHBondContact N-O 2.86Å; G140-V319 VanDerWaalsContact N-O 3.08Å; G140-V319 PolarHBondContact O-N 3.01Å; W298-V319 WeakPolarHBondContact O-CA 3.44Å; M317-V319 HydrophobicContact CE-CG1 4.16Å; V319-D321 VanDerWaalsContact C-N 3.28Å; V319-L325 HydrophobicContact CG1-CD2 4.01Å; V319-L325 HydrophobicContact CG2-CB 4.39Å; V319-L325 HydrophobicContact CG2-CD2 4.11Å
320R97.9Very high97.3Very high92 Ų9239 Ų3935%0.34719%0.19SC..SBendtrans-72.1-23.5177.571.1178-84.4169.6-4.4113.3F132 I138 A297 W298F132-R320 HydrophobicContact CD1-CB 4.43Å; F132-R320 HydrophobicContact CE1-CB 4.02Å; F132-R320 HydrophobicContact CZ-CB 4.08Å; I138-R320 WeakPolarHBondContact CG2-O 3.4Å; A297-R320 WeakPolarHBondContact O-CD 3.18Å; W298-R320 HydrophobicContact CB-CG 4.46Å; W298-R320 HydrophobicContact CD2-CG 4.16Å; W298-R320 HydrophobicContact CE3-CG 3.87Å; W298-R320 HydrophobicContact CG-CG 4.43Å; W298-R320 HydrophobicContact CZ3-CG 4.44Å; W298-R320 PolarHBondContact O-N 2.89Å
321D97Very high96.9Very high47 Ų4744.1 Ų44.125%0.25122%0.221SC..  trans-138.6106.2-179.5-179.8-1.3000109W298 V319 K323 A324W298-D321 HydrophobicContact CZ3-CB 4.08Å; V319-D321 VanDerWaalsContact C-N 3.28Å; D321-K323 VanDerWaalsContact C-N 3.27Å; D321-K323 PolarHBondContact O-N 2.83Å; D321-K323 WeakPolarHBondContact OD1-CA 3.41Å; D321-K323 VanDerWaalsContact OD1-CB 3.29Å; D321-K323 WeakPolarHBondContact OD1-CB 3.27Å; D321-K323 PolarHBondContact OD1-N 3.36Å; D321-A324 HydrophobicContact CB-CB 4.22Å; D321-A324 PolarHBondContact O-N 2.89Å; D321-A324 PolarHBondContact OD1-N 2.98Å
322S96.9Very high96.6Very high22 Ų2247.4 Ų47.415%0.15424%0.237CC..Hα-helixtrans-67.3-27.217957.70000113.2I138 L325 T326I138-S322 WeakPolarHBondContact O-CB 3.21Å; I138-S322 PolarHBondContact O-N 3.36Å; I138-S322 PolarHBondContact O-OG 2.79Å; S322-L325 PolarHBondContact O-N 3.06Å; S322-T326 WeakPolarHBondContact O-CB 3.44Å; S322-T326 PolarHBondContact O-N 3.03Å; S322-T326 PolarHBondContact O-OG1 3.11Å
323K96.6Very high96.5Very high146 Ų14642.6 Ų42.664%0.63522%0.218SC*.Hα-helixtrans-70.8-38.2-179.6-62.8178-179.7173.10110.6D321 T326 K327D321-K323 VanDerWaalsContact C-N 3.27Å; D321-K323 PolarHBondContact O-N 2.83Å; D321-K323 WeakPolarHBondContact OD1-CA 3.41Å; D321-K323 VanDerWaalsContact OD1-CB 3.29Å; D321-K323 WeakPolarHBondContact OD1-CB 3.27Å; D321-K323 PolarHBondContact OD1-N 3.36Å; K323-T326 PolarHBondContact O-N 2.9Å; K323-K327 WeakPolarHBondContact O-CB 3.49Å; K323-K327 VanDerWaalsContact O-CG 3.27Å; K323-K327 WeakPolarHBondContact O-CG 3.16Å; K323-K327 PolarHBondContact O-N 3.41Å
324A96.3Very high96.3Very high15 Ų1546.2 Ų46.212%0.12425%0.245CC..Hα-helixtrans-59.4-46.5175.400000111.4W270 W298 D321 S328W270-A324 HydrophobicContact CH2-CB 4.41Å; W270-A324 HydrophobicContact CZ3-CB 4.17Å; W298-A324 HydrophobicContact CZ3-CB 4.05Å; D321-A324 HydrophobicContact CB-CB 4.22Å; D321-A324 PolarHBondContact O-N 2.89Å; D321-A324 PolarHBondContact OD1-N 2.98Å; A324-S328 PolarHBondContact O-N 3.24Å
325L97.4Very high96Very high1 Ų155 Ų551%0.00528%0.28CS..Hα-helixtrans-65.5-45175.9176.459.3000112.4V153 A157 M317 V319 S322 K327 S328 W348V153-L325 HydrophobicContact CG1-CD1 3.38Å; A157-L325 HydrophobicContact CB-CD1 4.24Å; M317-L325 HydrophobicContact CE-CD2 3.88Å; V319-L325 HydrophobicContact CG1-CD2 4.01Å; V319-L325 HydrophobicContact CG2-CB 4.39Å; V319-L325 HydrophobicContact CG2-CD2 4.11Å; S322-L325 PolarHBondContact O-N 3.06Å; L325-K327 PolarHBondContact O-N 2.86Å; L325-S328 PolarHBondContact O-N 2.9Å; L325-S328 PolarHBondContact O-OG 2.89Å; L325-W348 HydrophobicContact CD2-CB 3.77Å; L325-W348 HydrophobicContact CD2-CD2 3.84Å; L325-W348 HydrophobicContact CD2-CE3 4.04Å; L325-W348 HydrophobicContact CD2-CG 3.69Å; L325-W348 HydrophobicContact CG-CB 4.42Å; L325-W348 HydrophobicContact CG-CG 4.26Å
326T97.1Very high95.8Very high34 Ų3455.8 Ų55.821%0.20928%0.284CS..Hα-helixtrans-62.1-45.2-178.9-58.60000111S322 K323 S328 M329 I330 H347 W348S322-T326 WeakPolarHBondContact O-CB 3.44Å; S322-T326 PolarHBondContact O-N 3.03Å; S322-T326 PolarHBondContact O-OG1 3.11Å; K323-T326 PolarHBondContact O-N 2.9Å; T326-S328 VanDerWaalsContact C-N 3.25Å; T326-S328 PolarHBondContact O-N 3.29Å; T326-M329 PolarHBondContact O-N 2.75Å; T326-M329 VanDerWaalsContact O-N 3.13Å; T326-I330 HydrophobicContact CG2-CB 4.41Å; T326-I330 HydrophobicContact CG2-CD1 4.3Å; T326-I330 VanDerWaalsContact O-CB 3.32Å; T326-I330 WeakPolarHBondContact O-CB 3.3Å; T326-I330 PolarHBondContact O-N 2.91Å; T326-H347 HydrophobicContact CG2-CB 4.06Å; T326-W348 PolarHBondContact OG1-NE1 2.97Å
327K96.3Very high95.5Very high142 Ų14261.1 Ų61.162%0.61731%0.309SS*.Hα-helixtrans-58.4-35.4-179.9-78.7178.6177.6-174.30112.9K323 L325 M329K323-K327 WeakPolarHBondContact O-CB 3.49Å; K323-K327 VanDerWaalsContact O-CG 3.27Å; K323-K327 WeakPolarHBondContact O-CG 3.16Å; K323-K327 PolarHBondContact O-N 3.41Å; L325-K327 PolarHBondContact O-N 2.86Å; K327-M329 VanDerWaalsContact C-N 3.28Å; K327-M329 PolarHBondContact O-N 3.42Å
328S95.8Very high95.2Very high26 Ų2663.3 Ų63.318%0.18232%0.319CS..Hα-helixtrans-75.2-13.8-179.264.90000114.7A157 A324 L325 T326A157-S328 WeakPolarHBondContact CA-OG 3.47Å; A324-S328 PolarHBondContact O-N 3.24Å; L325-S328 PolarHBondContact O-N 2.9Å; L325-S328 PolarHBondContact O-OG 2.89Å; T326-S328 VanDerWaalsContact C-N 3.25Å; T326-S328 PolarHBondContact O-N 3.29Å
329M94.8Very high94.9Very high34 Ų3471.8 Ų71.817%0.16736%0.356CS..Hα-helixtrans-129.9-5.3-170.5-61.3-61.8-170.300114.2V153 L156 T326 K327 V331 H347 I350V153-M329 HydrophobicContact CB-CE 4.3Å; V153-M329 HydrophobicContact CG1-CE 4Å; V153-M329 HydrophobicContact CG2-CE 4.19Å; L156-M329 HydrophobicContact CB-CE 3.74Å; L156-M329 HydrophobicContact CD1-CE 3.66Å; L156-M329 HydrophobicContact CG-CE 4.37Å; T326-M329 PolarHBondContact O-N 2.75Å; T326-M329 VanDerWaalsContact O-N 3.13Å; K327-M329 VanDerWaalsContact C-N 3.28Å; K327-M329 PolarHBondContact O-N 3.42Å; M329-V331 PolarHBondContact O-N 2.75Å; M329-H347 WeakPolarHBondContact CB-O 3.28Å; M329-I350 HydrophobicContact CE-CD1 3.85Å; M329-I350 HydrophobicContact SD-CD1 4.29Å
330I94.1Very high94.6Very high92 Ų9276.3 Ų76.347%0.47237%0.373SS..  trans-67.5124-171.9-169.9166.6000111.7T326T326-I330 HydrophobicContact CG2-CB 4.41Å; T326-I330 HydrophobicContact CG2-CD1 4.3Å; T326-I330 VanDerWaalsContact O-CB 3.32Å; T326-I330 WeakPolarHBondContact O-CB 3.3Å; T326-I330 PolarHBondContact O-N 2.91Å
331V91.1Very high94.1Very high108 Ų10880.1 Ų80.166%0.65540%0.4SS*.  trans-136.8120.8167.9-174.80000106.9M329 P333 H347M329-V331 PolarHBondContact O-N 2.75Å; V331-P333 WeakPolarHBondContact O-CD 3.43Å; V331-H347 PolarHBondContact O-CE1 2.94Å
332N90.9Very high93.8Very high78 Ų7880.3 Ų80.342%0.41740%0.403SS..  trans-126.964.7-167.1-167.932000113.6Q337 R346N332-Q337 PolarHBondContact O-NE2 3.41Å; N332-Q337 WeakPolarHBondContact OD1-CG 3.43Å; N332-R346 PolarHBondContact OD1-NH2 3.13Å
333P93.7Very high93.6Very high33 Ų3381.2 Ų81.221%0.21441%0.406CS..  trans-68155179.631.4-33.3000111.1V331 Y335 L336V331-P333 WeakPolarHBondContact O-CD 3.43Å; P333-Y335 VanDerWaalsContact C-N 3.29Å; P333-Y335 HydrophobicContact CB-CD1 4.04Å; P333-Y335 HydrophobicContact CB-CE1 3.54Å; P333-Y335 HydrophobicContact CB-CE2 4.37Å; P333-Y335 HydrophobicContact CG-CD1 4.44Å; P333-Y335 HydrophobicContact CG-CD2 4.38Å; P333-Y335 HydrophobicContact CG-CE1 3.86Å; P333-Y335 HydrophobicContact CG-CE2 3.77Å; P333-Y335 VanDerWaalsContact CG-CZ 3.47Å; P333-Y335 PolarHBondContact O-N 2.94Å; P333-L336 HydrophobicContact CG-CB 3.94Å; P333-L336 HydrophobicContact CG-CD1 3.76Å; P333-L336 HydrophobicContact CG-CG 3.94Å; P333-L336 WeakPolarHBondContact O-CB 3.43Å; P333-L336 PolarHBondContact O-N 2.73Å
334S94.2Very high93.5Very high98 Ų9875 Ų7569%0.68538%0.38SS*.G310 helixtrans-55.7-37.7-172.853.60000114.4L336 Q337S334-L336 PolarHBondContact O-N 2.98Å; S334-L336 VanDerWaalsContact O-N 3.16Å; S334-Q337 PolarHBondContact O-N 3.5Å
335Y92.8Very high93.5Very high185 Ų18574.3 Ų74.373%0.72537%0.374SS*.G310 helixtrans-71.5-4.7179.458.5-99.3000114.5P333P333-Y335 VanDerWaalsContact C-N 3.29Å; P333-Y335 HydrophobicContact CB-CD1 4.04Å; P333-Y335 HydrophobicContact CB-CE1 3.54Å; P333-Y335 HydrophobicContact CB-CE2 4.37Å; P333-Y335 HydrophobicContact CG-CD1 4.44Å; P333-Y335 HydrophobicContact CG-CD2 4.38Å; P333-Y335 HydrophobicContact CG-CE1 3.86Å; P333-Y335 HydrophobicContact CG-CE2 3.77Å; P333-Y335 VanDerWaalsContact CG-CZ 3.47Å; P333-Y335 PolarHBondContact O-N 2.94Å
336L93.9Very high93.4Very high17 Ų1775 Ų759%0.08938%0.377CS..G310 helixtrans-112.7-3.8179.4-83.4-166.9000112.9F103 P333 S334 R346 L352F103-L336 HydrophobicContact CD2-CD2 3.95Å; F103-L336 HydrophobicContact CE2-CD2 3.73Å; F103-L336 HydrophobicContact CZ-CD2 4.47Å; P333-L336 HydrophobicContact CG-CB 3.94Å; P333-L336 HydrophobicContact CG-CD1 3.76Å; P333-L336 HydrophobicContact CG-CG 3.94Å; P333-L336 WeakPolarHBondContact O-CB 3.43Å; P333-L336 PolarHBondContact O-N 2.73Å; S334-L336 PolarHBondContact O-N 2.98Å; S334-L336 VanDerWaalsContact O-N 3.16Å; L336-R346 PolarHBondContact O-NH1 3.21Å; L336-R346 PolarHBondContact O-NH2 3.26Å; L336-L352 HydrophobicContact CD1-CD1 3.57Å; L336-L352 HydrophobicContact CD1-CD2 4.25Å; L336-L352 HydrophobicContact CD2-CD1 4.17Å; L336-L352 HydrophobicContact CD2-CD2 4.37Å
337Q91.8Very high93.4Very high112 Ų11274.1 Ų74.152%0.52337%0.37SS..  trans-80.6148.7-178.6-69.1175.26.500111.6N332 S334N332-Q337 PolarHBondContact O-NE2 3.41Å; N332-Q337 WeakPolarHBondContact OD1-CG 3.43Å; S334-Q337 PolarHBondContact O-N 3.5Å
338H93.1Very high93.4Very high46 Ų4667.7 Ų67.721%0.21334%0.342CS..  trans-148.8160.8173.161.359.2000111.8V106 Y340 T342 D344V106-H338 HydrophobicContact CB-CB 4.13Å; V106-H338 HydrophobicContact CG1-CB 3.82Å; V106-H338 VanDerWaalsContact CG1-CD2 3.41Å; V106-H338 WeakPolarHBondContact CG1-CD2 3.1Å; H338-Y340 VanDerWaalsContact C-N 3.26Å; H338-Y340 PolarHBondContact CE1-O 3.11Å; H338-Y340 PolarHBondContact ND1-N 2.85Å; H338-Y340 PolarHBondContact ND1-O 3.23Å; H338-Y340 PolarHBondContact O-N 3.46Å; H338-T342 PolarHBondContact CE1-OG1 3.12Å; H338-T342 VanDerWaalsContact CE1-OG1 3.29Å; H338-D344 IonicContact CD2-OD2 3.99Å; H338-D344 IonicContact CE1-OD1 3.87Å; H338-D344 IonicContact CE1-OD2 3.96Å; H338-D344 IonicContact NE2-OD1 3.14Å; H338-D344 PolarHBondContact NE2-OD1 2.9Å; H338-D344 VanDerWaalsContact NE2-OD1 3.14Å; H338-D344 IonicContact NE2-OD2 3.27Å; H338-D344 PolarHBondContact NE2-OD2 2.75Å
339K92.8Very high93.4Very high177 Ų17766.6 Ų66.677%0.7734%0.335SS*.SBendtrans-70-15.4-174.168.7179.1-177.5179.30115.5
340Y91.6Very high93.5Very high97 Ų9769.5 Ų69.538%0.3835%0.35SS..  trans-83.5133.3-176.4-55.2-74.6000110.9W105 V106 H338 T342W105-Y340 AromaticContact CE3-CD2 3.73Å; W105-Y340 HydrophobicContact CE3-CD2 3.73Å; W105-Y340 HydrophobicContact CE3-CE2 4.18Å; W105-Y340 AromaticContact CE3-CG 3.99Å; W105-Y340 HydrophobicContact CE3-CG 3.99Å; W105-Y340 HydrophobicContact CZ3-CD1 4.13Å; W105-Y340 AromaticContact CZ3-CD2 3.57Å; W105-Y340 HydrophobicContact CZ3-CD2 3.57Å; W105-Y340 HydrophobicContact CZ3-CE1 4.15Å; W105-Y340 AromaticContact CZ3-CE2 3.59Å; W105-Y340 HydrophobicContact CZ3-CE2 3.59Å; W105-Y340 AromaticContact CZ3-CG 3.85Å; W105-Y340 HydrophobicContact CZ3-CG 3.85Å; W105-Y340 AromaticContact CZ3-CZ 3.88Å; V106-Y340 HydrophobicContact CB-CD2 4.38Å; V106-Y340 HydrophobicContact CG2-CD2 4.25Å; V106-Y340 HydrophobicContact CG2-CE2 3.98Å; H338-Y340 VanDerWaalsContact C-N 3.26Å; H338-Y340 PolarHBondContact CE1-O 3.11Å; H338-Y340 PolarHBondContact ND1-N 2.85Å; H338-Y340 PolarHBondContact ND1-O 3.23Å; H338-Y340 PolarHBondContact O-N 3.46Å; Y340-T342 VanDerWaalsContact C-N 3.31Å; Y340-T342 PolarHBondContact O-N 2.89Å
341N87.7Confident93.6Very high172 Ų17268.1 Ų68.192%0.9235%0.348SS*.  trans-8973.5171-174.433.4000109.2
342T90.7Very high93.8Very high51 Ų5166.5 Ų66.531%0.31334%0.335SS..  trans-122.5166.1-172.247.20000111.1W105 H338 Y340 D344W105-T342 HydrophobicContact CB-CG2 4.4Å; W105-T342 WeakPolarHBondContact CB-OG1 3.41Å; W105-T342 HydrophobicContact CD2-CG2 4.1Å; W105-T342 HydrophobicContact CG-CG2 3.97Å; H338-T342 PolarHBondContact CE1-OG1 3.12Å; H338-T342 VanDerWaalsContact CE1-OG1 3.29Å; Y340-T342 VanDerWaalsContact C-N 3.31Å; Y340-T342 PolarHBondContact O-N 2.89Å; T342-D344 PolarHBondContact O-N 3.27Å
343L92.4Very high94.1Very high41 Ų4166 Ų6622%0.21534%0.337CS..  trans-69.6122.9173.5176.458.3000111.2T112 I116 H134 F345 W348T112-L343 WeakPolarHBondContact CG2-O 3.31Å; I116-L343 HydrophobicContact CD1-CD2 4.14Å; I116-L343 HydrophobicContact CG1-CD2 4.11Å; H134-L343 VanDerWaalsContact CE1-CD2 3.47Å; H134-L343 WeakPolarHBondContact CE1-CD2 3.47Å; L343-F345 HydrophobicContact CD2-CD1 4.11Å; L343-F345 HydrophobicContact CD2-CE1 3.53Å; L343-F345 HydrophobicContact CD2-CE2 4.2Å; L343-F345 HydrophobicContact CD2-CZ 3.58Å; L343-F345 HydrophobicContact CG-CD1 4.36Å; L343-F345 HydrophobicContact CG-CE1 4.25Å; L343-F345 HydrophobicContact CG-CZ 4.42Å; L343-W348 HydrophobicContact CD1-CD2 4.15Å; L343-W348 HydrophobicContact CD1-CH2 4.08Å; L343-W348 HydrophobicContact CD1-CZ2 3.28Å; L343-W348 HydrophobicContact CD2-CH2 3.97Å; L343-W348 HydrophobicContact CD2-CZ2 4.02Å; L343-W348 HydrophobicContact CD2-CZ3 4.47Å; L343-W348 HydrophobicContact CG-CZ2 4.31Å
344D95.3Very high94.2Very high15 Ų1564.8 Ų64.88%0.0833%0.329CS..  trans-109.9101.5173-83-6.2000110.7S104 W105 H338 T342 R346 H347S104-D344 WeakPolarHBondContact CA-OD1 3.44Å; S104-D344 VanDerWaalsContact CB-OD1 3.24Å; S104-D344 WeakPolarHBondContact CB-OD1 3.39Å; W105-D344 PolarHBondContact N-OD1 2.86Å; H338-D344 IonicContact CD2-OD2 3.99Å; H338-D344 IonicContact CE1-OD1 3.87Å; H338-D344 IonicContact CE1-OD2 3.96Å; H338-D344 IonicContact NE2-OD1 3.14Å; H338-D344 PolarHBondContact NE2-OD1 2.9Å; H338-D344 VanDerWaalsContact NE2-OD1 3.14Å; H338-D344 IonicContact NE2-OD2 3.27Å; H338-D344 PolarHBondContact NE2-OD2 2.75Å; T342-D344 PolarHBondContact O-N 3.27Å; D344-R346 HydrophobicContact CB-CG 4.2Å; D344-R346 PolarHBondContact O-N 3.14Å; D344-R346 IonicContact OD2-CZ 3.66Å; D344-R346 IonicContact OD2-NE 2.9Å; D344-R346 IonicContact OD2-NH1 3.68Å; D344-R346 IonicContact OD2-NH2 3.49Å; D344-R346 PolarHBondContact OD2-NH2 3.29Å; D344-H347 PolarHBondContact O-N 3.46Å
345F96.3Very high94.3Very high1 Ų163.3 Ų63.30%0.00431%0.308CS..G310 helixtrans-62.6-13.4-176.2-76.9-60.5000115T112 E115 I116 G141 V142 L343 H347 W348T112-F345 HydrophobicContact CG2-CD2 3.98Å; T112-F345 HydrophobicContact CG2-CE2 3.82Å; E115-F345 HydrophobicContact CB-CE2 3.83Å; E115-F345 HydrophobicContact CB-CZ 4.24Å; E115-F345 HydrophobicContact CG-CE2 3.88Å; E115-F345 HydrophobicContact CG-CZ 3.91Å; I116-F345 HydrophobicContact CG1-CE2 4.15Å; I116-F345 HydrophobicContact CG1-CZ 3.87Å; G141-F345 WeakPolarHBondContact O-CE1 3.48Å; V142-F345 HydrophobicContact CB-CD1 4.01Å; V142-F345 HydrophobicContact CB-CE1 3.95Å; V142-F345 HydrophobicContact CG2-CD1 3.61Å; V142-F345 HydrophobicContact CG2-CE1 4.02Å; V142-F345 HydrophobicContact CG2-CG 4.39Å; L343-F345 HydrophobicContact CD2-CD1 4.11Å; L343-F345 HydrophobicContact CD2-CE1 3.53Å; L343-F345 HydrophobicContact CD2-CE2 4.2Å; L343-F345 HydrophobicContact CD2-CZ 3.58Å; L343-F345 HydrophobicContact CG-CD1 4.36Å; L343-F345 HydrophobicContact CG-CE1 4.25Å; L343-F345 HydrophobicContact CG-CZ 4.42Å; F345-H347 PolarHBondContact O-N 2.99Å; F345-W348 HydrophobicContact CD1-CB 4.42Å; F345-W348 HydrophobicContact CD1-CD2 4.37Å; F345-W348 HydrophobicContact CD1-CE3 4.24Å; F345-W348 HydrophobicContact CE1-CE3 4.11Å; F345-W348 HydrophobicContact CE1-CZ3 4.28Å; F345-W348 PolarHBondContact O-N 3.26Å
346R95.1Very high94.5Very high15 Ų1555.7 Ų55.76%0.05728%0.279CS..G310 helixtrans-58.2-24.5168.767.3-176.7-175.9-155.17.6113.1F103 N332 L336 D344 W348 L352F103-R346 HydrophobicContact CB-CB 4.45Å; F103-R346 WeakPolarHBondContact O-CB 3.47Å; F103-R346 WeakPolarHBondContact O-CD 3.46Å; F103-R346 VanDerWaalsContact O-CG 3.22Å; F103-R346 WeakPolarHBondContact O-CG 3.44Å; F103-R346 PolarHBondContact O-N 2.99Å; N332-R346 PolarHBondContact OD1-NH2 3.13Å; L336-R346 PolarHBondContact O-NH1 3.21Å; L336-R346 PolarHBondContact O-NH2 3.26Å; D344-R346 HydrophobicContact CB-CG 4.2Å; D344-R346 PolarHBondContact O-N 3.14Å; D344-R346 IonicContact OD2-CZ 3.66Å; D344-R346 IonicContact OD2-NE 2.9Å; D344-R346 IonicContact OD2-NH1 3.68Å; D344-R346 IonicContact OD2-NH2 3.49Å; D344-R346 PolarHBondContact OD2-NH2 3.29Å; R346-W348 VanDerWaalsContact C-N 3.29Å; R346-L352 HydrophobicContact CB-CD1 3.91Å; R346-L352 HydrophobicContact CG-CD1 4.39Å
347H96.1Very high94.7Very high17 Ų1755.7 Ų55.78%0.07928%0.278CS..G310 helixtrans-87.30.5178-58.7-46.1000112.8T326 M329 V331 D344 F345T326-H347 HydrophobicContact CG2-CB 4.06Å; M329-H347 WeakPolarHBondContact CB-O 3.28Å; V331-H347 PolarHBondContact O-CE1 2.94Å; D344-H347 PolarHBondContact O-N 3.46Å; F345-H347 PolarHBondContact O-N 2.99Å
348W97.2Very high95.1Very high6 Ų650.4 Ų50.42%0.02325%0.253CS..G310 helixtrans-116.520.5-175.6-71.230.2000111.6H134 V142 Q144 L325 T326 L343 F345 R346H134-W348 AromaticContact CE1-CH2 3.58Å; H134-W348 AromaticContact CE1-CZ3 3.65Å; H134-W348 AromaticContact ND1-CH2 3.99Å; V142-W348 HydrophobicContact CB-CB 4.43Å; V142-W348 HydrophobicContact CB-CE3 3.85Å; V142-W348 HydrophobicContact CG1-CB 4.39Å; V142-W348 HydrophobicContact CG1-CE3 4.05Å; V142-W348 HydrophobicContact CG2-CB 4.15Å; Q144-W348 PolarHBondContact NE2-O 3.25Å; L325-W348 HydrophobicContact CD2-CB 3.77Å; L325-W348 HydrophobicContact CD2-CD2 3.84Å; L325-W348 HydrophobicContact CD2-CE3 4.04Å; L325-W348 HydrophobicContact CD2-CG 3.69Å; L325-W348 HydrophobicContact CG-CB 4.42Å; L325-W348 HydrophobicContact CG-CG 4.26Å; T326-W348 PolarHBondContact OG1-NE1 2.97Å; L343-W348 HydrophobicContact CD1-CD2 4.15Å; L343-W348 HydrophobicContact CD1-CH2 4.08Å; L343-W348 HydrophobicContact CD1-CZ2 3.28Å; L343-W348 HydrophobicContact CD2-CH2 3.97Å; L343-W348 HydrophobicContact CD2-CZ2 4.02Å; L343-W348 HydrophobicContact CD2-CZ3 4.47Å; L343-W348 HydrophobicContact CG-CZ2 4.31Å; F345-W348 HydrophobicContact CD1-CB 4.42Å; F345-W348 HydrophobicContact CD1-CD2 4.37Å; F345-W348 HydrophobicContact CD1-CE3 4.24Å; F345-W348 HydrophobicContact CE1-CE3 4.11Å; F345-W348 HydrophobicContact CE1-CZ3 4.28Å; F345-W348 PolarHBondContact O-N 3.26Å; R346-W348 VanDerWaalsContact C-N 3.29Å
349G95.9Very high95.3Very high4 Ų448.6 Ų48.64%0.04125%0.245CC..SBendtrans-167.5-178.8177.600000111.1
350I96.3Very high95.6Very high94 Ų9440.1 Ų40.148%0.48221%0.208SC..SBendtrans-77.6-48.4-179.9-53.8-58.5000113.1F152 V153 L156 M329F152-I350 HydrophobicContact CD1-CD1 4.14Å; F152-I350 HydrophobicContact CD1-CG1 4.18Å; F152-I350 HydrophobicContact CE1-CD1 3.93Å; F152-I350 HydrophobicContact CE1-CG1 4.23Å; V153-I350 HydrophobicContact CG2-CD1 4.17Å; V153-I350 HydrophobicContact CG2-CG1 4.08Å; L156-I350 HydrophobicContact CD1-CD1 3.91Å; M329-I350 HydrophobicContact CE-CD1 3.85Å; M329-I350 HydrophobicContact SD-CD1 4.29Å
351P95.9Very high95.9Very high64 Ų6435.5 Ų35.542%0.41619%0.19SC..  trans-81.8149.8-176.232.8-35000112.5
352L96.3Very high96.4Very high73 Ų7330.8 Ų30.838%0.38216%0.159SC..SBendtrans-66.2-59.7169176.965.3000111F103 L336 R346F103-L352 HydrophobicContact CB-CD1 3.8Å; F103-L352 HydrophobicContact CB-CG 4Å; F103-L352 WeakPolarHBondContact CB-O 3.5Å; F103-L352 HydrophobicContact CD2-CD1 4.37Å; F103-L352 HydrophobicContact CG-CD1 4.22Å; F103-L352 HydrophobicContact CG-CG 4.37Å; L336-L352 HydrophobicContact CD1-CD1 3.57Å; L336-L352 HydrophobicContact CD1-CD2 4.25Å; L336-L352 HydrophobicContact CD2-CD1 4.17Å; L336-L352 HydrophobicContact CD2-CD2 4.37Å; R346-L352 HydrophobicContact CB-CD1 3.91Å; R346-L352 HydrophobicContact CG-CD1 4.39Å
353S96.3Very high96.8Very high68 Ų6830.9 Ų30.948%0.47616%0.155SC..  trans-75139-173.2-63.20000112.7N101N101-S353 VanDerWaalsContact ND2-CB 3.26Å; N101-S353 WeakPolarHBondContact ND2-CB 3.49Å; N101-S353 PolarHBondContact ND2-OG 2.93Å; N101-S353 VanDerWaalsContact OD1-CA 3.25Å; N101-S353 WeakPolarHBondContact OD1-CA 3.21Å
354R96.5Very high97.1Very high7 Ų728.9 Ų28.93%0.02615%0.145CC..  trans-142.4130.9-177.2-60.2173.164.498.24.6110.5N101 G102 E115 I143N101-R354 PolarHBondContact OD1-N 3.04Å; N101-R354 PolarHBondContact OD1-O 2.92Å; G102-R354 PolarHBondContact N-O 3.29Å; E115-R354 IonicContact OE1-CZ 3.48Å; E115-R354 IonicContact OE1-NH2 3.88Å; E115-R354 PolarHBondContact OE1-NH2 2.86Å; E115-R354 IonicContact OE2-NH2 3.59Å; I143-R354 PolarHBondContact O-NH2 3.06Å
355R96.1Very high97.2Very high68 Ų6828.8 Ų28.826%0.25714%0.144SC..  trans-81.8166.5176.973.4-172.7-168.193.7-13111.8D92 D313 R357D92-R355 IonicContact OD1-CZ 3.85Å; D92-R355 IonicContact OD1-NH1 3.54Å; D92-R355 PolarHBondContact OD1-NH1 3.39Å; D92-R355 IonicContact OD1-NH2 3.31Å; D313-R355 IonicContact OD1-CZ 3.85Å; D313-R355 IonicContact OD1-NE 2.81Å; D313-R355 PolarHBondContact OD1-NE 3Å; D313-R355 IonicContact OD1-NH2 3.87Å; D313-R355 PolarHBondContact OD1-NH2 3.11Å; D313-R355 IonicContact OD2-NE 3.91Å; R355-R357 HydrophobicContact CG-CG 3.55Å; R355-R357 PolarHBondContact O-N 2.69Å
356F98Very high97.4Very high24 Ų2436.5 Ų36.511%0.10517%0.173CC..  trans-76.263.9-179-163.2178.3000113.2S95 L98 I111 L114 A358 L359S95-F356 WeakPolarHBondContact OG-CB 3.49Å; S95-F356 PolarHBondContact OG-O 3.16Å; S95-F356 VanDerWaalsContact OG-O 3.14Å; L98-F356 HydrophobicContact CD1-CD1 4.12Å; L98-F356 HydrophobicContact CD1-CE1 4.39Å; I111-F356 HydrophobicContact CB-CD2 4.19Å; I111-F356 HydrophobicContact CB-CE2 4.46Å; I111-F356 HydrophobicContact CD1-CB 3.96Å; I111-F356 HydrophobicContact CD1-CG 4.29Å; I111-F356 HydrophobicContact CG1-CB 3.88Å; I111-F356 HydrophobicContact CG1-CD1 3.99Å; I111-F356 HydrophobicContact CG1-CD2 3.81Å; I111-F356 HydrophobicContact CG1-CE1 4.42Å; I111-F356 HydrophobicContact CG1-CE2 4.24Å; I111-F356 HydrophobicContact CG1-CG 3.66Å; I111-F356 HydrophobicContact CG2-CD2 4.2Å; L114-F356 HydrophobicContact CB-CE2 3.94Å; L114-F356 HydrophobicContact CB-CZ 4.26Å; L114-F356 HydrophobicContact CD2-CE2 3.54Å; L114-F356 HydrophobicContact CD2-CZ 3.61Å; L114-F356 HydrophobicContact CG-CE2 4.26Å; F356-A358 HydrophobicContact CE2-CB 4.41Å; F356-A358 PolarHBondContact O-N 3.11Å; F356-L359 HydrophobicContact CD1-CB 4.36Å; F356-L359 HydrophobicContact CD1-CD2 4.17Å; F356-L359 HydrophobicContact CD2-CB 4.1Å; F356-L359 HydrophobicContact CE1-CD1 4.26Å; F356-L359 HydrophobicContact CE1-CD2 4.44Å; F356-L359 HydrophobicContact CE2-CB 4.31Å; F356-L359 HydrophobicContact CG-CB 4.14Å; F356-L359 HydrophobicContact CZ-CD1 4.34Å; F356-L359 WeakPolarHBondContact O-CB 3.5Å; F356-L359 PolarHBondContact O-N 2.86Å
357R98.2Very high97.5Very high18 Ų1841 Ų417%0.06820%0.197CC..THydrogen-bonded Turntrans-68.1-31.7-175.7-62.3-175.4-176.499.4-5113.7I143 S145 D313 R355 L359 K360I143-R357 HydrophobicContact CB-CB 4.39Å; I143-R357 HydrophobicContact CD1-CB 3.97Å; I143-R357 HydrophobicContact CG2-CB 3.88Å; I143-R357 VanDerWaalsContact CG2-CD 3.45Å; I143-R357 HydrophobicContact CG2-CG 4.33Å; S145-R357 PolarHBondContact OG-NH2 3.4Å; D313-R357 IonicContact OD2-CZ 3.14Å; D313-R357 IonicContact OD2-NE 2.65Å; D313-R357 PolarHBondContact OD2-NE 3.28Å; D313-R357 IonicContact OD2-NH2 3.97Å; D313-R357 PolarHBondContact OD2-NH2 3.45Å; D313-R357 VanDerWaalsContact OD2-NH2 3.14Å; R355-R357 HydrophobicContact CG-CG 3.55Å; R355-R357 PolarHBondContact O-N 2.69Å; R357-L359 PolarHBondContact O-N 3.03Å; R357-L359 VanDerWaalsContact O-N 3.14Å; R357-K360 WeakPolarHBondContact O-CG 3.29Å; R357-K360 PolarHBondContact O-N 3.42Å
358A98.5Very high97.6Very high0 Ų043.4 Ų43.40%021%0.206CC..Hα-helixtrans-61-23.3-179.400000113.1L114 E115 M118 I143 F356 K360 L361 W362L114-A358 HydrophobicContact CB-CB 4.38Å; L114-A358 HydrophobicContact CD2-CB 4.4Å; L114-A358 HydrophobicContact CG-CB 4.12Å; E115-A358 VanDerWaalsContact CA-CB 3.49Å; E115-A358 HydrophobicContact CB-CB 3.84Å; E115-A358 HydrophobicContact CG-CB 4.46Å; M118-A358 HydrophobicContact CB-CB 4.47Å; M118-A358 HydrophobicContact CG-CB 4.18Å; I143-A358 HydrophobicContact CD1-CB 3.88Å; F356-A358 HydrophobicContact CE2-CB 4.41Å; F356-A358 PolarHBondContact O-N 3.11Å; A358-K360 PolarHBondContact O-N 3.38Å; A358-L361 PolarHBondContact O-N 3.31Å; A358-W362 WeakPolarHBondContact O-CB 3.26Å; A358-W362 PolarHBondContact O-N 3.39Å
359L98.2Very high97.7Very high8 Ų844.4 Ų44.44%0.04222%0.218CC..Hα-helixtrans-60.6-41.8-178.1-16963.1000112.8A91 L94 L114 F356 R357 W362 F363A91-L359 HydrophobicContact CB-CG 4.31Å; L94-L359 HydrophobicContact CB-CD2 4.06Å; L94-L359 HydrophobicContact CD2-CD2 3.96Å; L94-L359 HydrophobicContact CG-CD2 3.88Å; L114-L359 HydrophobicContact CD2-CD1 4.27Å; F356-L359 HydrophobicContact CD1-CB 4.36Å; F356-L359 HydrophobicContact CD1-CD2 4.17Å; F356-L359 HydrophobicContact CD2-CB 4.1Å; F356-L359 HydrophobicContact CE1-CD1 4.26Å; F356-L359 HydrophobicContact CE1-CD2 4.44Å; F356-L359 HydrophobicContact CE2-CB 4.31Å; F356-L359 HydrophobicContact CG-CB 4.14Å; F356-L359 HydrophobicContact CZ-CD1 4.34Å; F356-L359 WeakPolarHBondContact O-CB 3.5Å; F356-L359 PolarHBondContact O-N 2.86Å; R357-L359 PolarHBondContact O-N 3.03Å; R357-L359 VanDerWaalsContact O-N 3.14Å; L359-W362 HydrophobicContact CD1-CE3 4.03Å; L359-W362 HydrophobicContact CD1-CZ3 4.45Å; L359-W362 WeakPolarHBondContact O-CB 3.17Å; L359-W362 PolarHBondContact O-N 3.3Å; L359-F363 HydrophobicContact CD1-CD1 4.26Å; L359-F363 HydrophobicContact CD1-CE1 3.77Å; L359-F363 HydrophobicContact CG-CD1 4.47Å; L359-F363 HydrophobicContact CG-CE1 4.2Å; L359-F363 WeakPolarHBondContact O-CD1 3.25Å; L359-F363 PolarHBondContact O-N 3.1Å
360K98.4Very high97.8Very high0 Ų045.5 Ų45.50%023%0.227CC..Hα-helixtrans-72.9-34.8177.855.2175.1172.8-1750113.7A91 D92 V310 S311 D313 R357 A358 W362 F363 V364A91-K360 HydrophobicContact CB-CB 3.63Å; D92-K360 IonicContact OD1-NZ 2.86Å; D92-K360 IonicContact OD2-NZ 3.94Å; D92-K360 PolarHBondContact OD2-NZ 3.33Å; V310-K360 HydrophobicContact CG1-CB 4.36Å; V310-K360 HydrophobicContact CG1-CD 3.56Å; V310-K360 HydrophobicContact CG1-CG 3.79Å; S311-K360 PolarHBondContact O-NZ 3.39Å; S311-K360 WeakPolarHBondContact OG-CD 3.32Å; D313-K360 VanDerWaalsContact O-CE 3.22Å; D313-K360 WeakPolarHBondContact O-CE 3.35Å; D313-K360 PolarHBondContact O-NZ 3.26Å; R357-K360 WeakPolarHBondContact O-CG 3.29Å; R357-K360 PolarHBondContact O-N 3.42Å; A358-K360 PolarHBondContact O-N 3.38Å; K360-W362 VanDerWaalsContact C-N 3.3Å; K360-W362 PolarHBondContact O-N 3.13Å; K360-F363 PolarHBondContact O-N 3.48Å; K360-V364 WeakPolarHBondContact O-CB 3.49Å; K360-V364 VanDerWaalsContact O-CG2 3.25Å; K360-V364 WeakPolarHBondContact O-CG2 3.37Å; K360-V364 PolarHBondContact O-N 3.33Å
361L98.5Very high97.9Very high0 Ų045.6 Ų45.60%023%0.232CC..Hα-helixtrans-60.2-45.8169.6-72.4168.3000110.1M118 I122 I143 P304 M308 V310 L316 A358 F363 V364 I365M118-L361 HydrophobicContact CB-CB 4.38Å; M118-L361 HydrophobicContact CB-CD1 4.43Å; M118-L361 HydrophobicContact CG-CB 4.28Å; I122-L361 HydrophobicContact CD1-CD1 4.14Å; I122-L361 HydrophobicContact CD1-CD2 3.76Å; I122-L361 HydrophobicContact CD1-CG 4.42Å; I143-L361 HydrophobicContact CD1-CD1 3.61Å; I143-L361 HydrophobicContact CG1-CD1 4.17Å; P304-L361 HydrophobicContact CB-CD2 3.8Å; P304-L361 HydrophobicContact CG-CD2 3.83Å; M308-L361 HydrophobicContact CE-CD2 4.1Å; V310-L361 HydrophobicContact CB-CD2 4.49Å; V310-L361 HydrophobicContact CG1-CD2 4.25Å; V310-L361 HydrophobicContact CG2-CD2 3.69Å; L316-L361 HydrophobicContact CD1-CD1 4.39Å; L316-L361 HydrophobicContact CD2-CD1 4.05Å; L316-L361 HydrophobicContact CG-CD1 4.48Å; A358-L361 PolarHBondContact O-N 3.31Å; L361-F363 PolarHBondContact O-N 3.29Å; L361-V364 PolarHBondContact O-N 3.17Å; L361-I365 WeakPolarHBondContact O-CB 3.06Å; L361-I365 VanDerWaalsContact O-CG1 3.23Å; L361-I365 WeakPolarHBondContact O-CG1 3.35Å; L361-I365 PolarHBondContact O-N 2.93Å
362W98.7Very high98Very high73 Ų7343.7 Ų43.728%0.27722%0.224SC..Hα-helixtrans-60.8-46.7179.8-171.856.9000112.4L114 M118 A358 L359 K360 R366L114-W362 HydrophobicContact CD1-CB 4.34Å; L114-W362 HydrophobicContact CD1-CD2 4.2Å; L114-W362 HydrophobicContact CD1-CG 3.93Å; L114-W362 HydrophobicContact CD2-CB 4.14Å; L114-W362 HydrophobicContact CD2-CD2 4.32Å; L114-W362 HydrophobicContact CD2-CE3 4.36Å; L114-W362 HydrophobicContact CD2-CG 4.27Å; M118-W362 HydrophobicContact CE-CG 4.37Å; M118-W362 HydrophobicContact CG-CB 4.19Å; M118-W362 WeakPolarHBondContact SD-CA 3.35Å; M118-W362 HydrophobicContact SD-CB 3.62Å; M118-W362 HydrophobicContact SD-CG 4.03Å; A358-W362 WeakPolarHBondContact O-CB 3.26Å; A358-W362 PolarHBondContact O-N 3.39Å; L359-W362 HydrophobicContact CD1-CE3 4.03Å; L359-W362 HydrophobicContact CD1-CZ3 4.45Å; L359-W362 WeakPolarHBondContact O-CB 3.17Å; L359-W362 PolarHBondContact O-N 3.3Å; K360-W362 VanDerWaalsContact C-N 3.3Å; K360-W362 PolarHBondContact O-N 3.13Å; W362-R366 VanDerWaalsContact CE2-CD 3.44Å; W362-R366 VanDerWaalsContact NE1-CD 3.31Å; W362-R366 VanDerWaalsContact O-CB 3.28Å; W362-R366 WeakPolarHBondContact O-CB 3.13Å; W362-R366 VanDerWaalsContact O-CG 3.26Å; W362-R366 WeakPolarHBondContact O-CG 3.39Å; W362-R366 PolarHBondContact O-N 3.43Å
363F98.7Very high98.2Very high52 Ų5240.3 Ų40.323%0.22821%0.206CC..Hα-helixtrans-62.9-49.2177.9-84.838000111.6P87 A91 L94 L359 K360 L361 R366 I367P87-F363 HydrophobicContact CB-CB 4.38Å; A91-F363 HydrophobicContact CB-CB 3.97Å; A91-F363 HydrophobicContact CB-CD1 4.33Å; A91-F363 HydrophobicContact CB-CD2 3.68Å; A91-F363 HydrophobicContact CB-CE2 4.21Å; A91-F363 HydrophobicContact CB-CG 3.74Å; L94-F363 HydrophobicContact CD2-CZ 4.02Å; L359-F363 HydrophobicContact CD1-CD1 4.26Å; L359-F363 HydrophobicContact CD1-CE1 3.77Å; L359-F363 HydrophobicContact CG-CD1 4.47Å; L359-F363 HydrophobicContact CG-CE1 4.2Å; L359-F363 WeakPolarHBondContact O-CD1 3.25Å; L359-F363 PolarHBondContact O-N 3.1Å; K360-F363 PolarHBondContact O-N 3.48Å; L361-F363 PolarHBondContact O-N 3.29Å; F363-R366 PolarHBondContact O-N 3.04Å; F363-I367 WeakPolarHBondContact O-CB 3.05Å; F363-I367 WeakPolarHBondContact O-CG1 3.5Å; F363-I367 PolarHBondContact O-N 2.91Å
364V98.7Very high98.3Very high0 Ų039.6 Ų39.60%019%0.193CC..Hα-helixtrans-59.9-50.4179.9168.70000110.7P87 L309 V310 K360 L361 R366 I367 Y368 L373P87-V364 HydrophobicContact CB-CG2 4Å; L309-V364 HydrophobicContact CB-CG1 4.19Å; V310-V364 HydrophobicContact CG2-CB 4.19Å; V310-V364 HydrophobicContact CG2-CG1 4.08Å; V310-V364 HydrophobicContact CG2-CG2 4.11Å; K360-V364 WeakPolarHBondContact O-CB 3.49Å; K360-V364 VanDerWaalsContact O-CG2 3.25Å; K360-V364 WeakPolarHBondContact O-CG2 3.37Å; K360-V364 PolarHBondContact O-N 3.33Å; L361-V364 PolarHBondContact O-N 3.17Å; V364-R366 PolarHBondContact O-N 3.11Å; V364-I367 PolarHBondContact O-N 3.46Å; V364-Y368 HydrophobicContact CG1-CD2 3.88Å; V364-Y368 HydrophobicContact CG1-CE2 4.32Å; V364-Y368 WeakPolarHBondContact O-CB 3.17Å; V364-Y368 WeakPolarHBondContact O-CD2 3.48Å; V364-Y368 PolarHBondContact O-N 3.3Å; V364-L373 HydrophobicContact CG1-CD2 4.02Å
365I98.5Very high98.4Very high13 Ų1343.3 Ų43.37%0.06721%0.214CC..Hα-helixtrans-64.2-40.8-178.9-65.8166.1000111.2M118 W121 I122 L361 G369 L373M118-I365 HydrophobicContact SD-CD1 4.43Å; W121-I365 HydrophobicContact CE3-CG2 3.83Å; W121-I365 HydrophobicContact CZ3-CG2 4.02Å; I122-I365 HydrophobicContact CD1-CD1 3.88Å; I122-I365 HydrophobicContact CG1-CD1 3.7Å; L361-I365 WeakPolarHBondContact O-CB 3.06Å; L361-I365 VanDerWaalsContact O-CG1 3.23Å; L361-I365 WeakPolarHBondContact O-CG1 3.35Å; L361-I365 PolarHBondContact O-N 2.93Å; I365-G369 WeakPolarHBondContact O-CA 3.37Å; I365-G369 PolarHBondContact O-N 3.39Å; I365-L373 HydrophobicContact CG1-CD1 4.14Å
366R98.6Very high98.5Very high162 Ų16241 Ų4161%0.61121%0.205SC*.Hα-helixtrans-70.7-35-179.7-74.5-168.368.7-166.73113.6W121 W362 F363 V364W121-R366 HydrophobicContact CZ3-CG 4.25Å; W362-R366 VanDerWaalsContact CE2-CD 3.44Å; W362-R366 VanDerWaalsContact NE1-CD 3.31Å; W362-R366 VanDerWaalsContact O-CB 3.28Å; W362-R366 WeakPolarHBondContact O-CB 3.13Å; W362-R366 VanDerWaalsContact O-CG 3.26Å; W362-R366 WeakPolarHBondContact O-CG 3.39Å; W362-R366 PolarHBondContact O-N 3.43Å; F363-R366 PolarHBondContact O-N 3.04Å; V364-R366 PolarHBondContact O-N 3.11Å
367I98.5Very high98.5Very high110 Ų11039.9 Ų39.956%0.56420%0.2SC*.Hα-helixtrans-80.3-48.2-178.1-72172000111.3P87 F363 V364P87-I367 HydrophobicContact CB-CD1 3.83Å; P87-I367 HydrophobicContact CG-CB 4.13Å; P87-I367 HydrophobicContact CG-CD1 3.78Å; P87-I367 HydrophobicContact CG-CG2 3.84Å; F363-I367 WeakPolarHBondContact O-CB 3.05Å; F363-I367 WeakPolarHBondContact O-CG1 3.5Å; F363-I367 PolarHBondContact O-N 2.91Å; V364-I367 PolarHBondContact O-N 3.46Å
368Y98.3Very high98.5Very high68 Ų6842.8 Ų42.827%0.26721%0.211SC..Hα-helixtrans-81.7-28.5-179.2-68.9-78.6000112.8S85 P87 L309 V364 G372 L373 E452S85-Y368 WeakPolarHBondContact CB-OH 3.24Å; P87-Y368 HydrophobicContact CB-CE2 4.41Å; P87-Y368 HydrophobicContact CG-CD2 4.44Å; P87-Y368 HydrophobicContact CG-CE2 3.73Å; L309-Y368 HydrophobicContact CB-CE2 4.38Å; L309-Y368 HydrophobicContact CD1-CD1 4.18Å; L309-Y368 HydrophobicContact CD1-CD2 4.22Å; L309-Y368 HydrophobicContact CD1-CE1 3.88Å; L309-Y368 HydrophobicContact CD1-CE2 3.94Å; L309-Y368 HydrophobicContact CD1-CG 4.33Å; V364-Y368 HydrophobicContact CG1-CD2 3.88Å; V364-Y368 HydrophobicContact CG1-CE2 4.32Å; V364-Y368 WeakPolarHBondContact O-CB 3.17Å; V364-Y368 WeakPolarHBondContact O-CD2 3.48Å; V364-Y368 PolarHBondContact O-N 3.3Å; Y368-G372 VanDerWaalsContact O-CA 3.31Å; Y368-G372 WeakPolarHBondContact O-CA 3.39Å; Y368-G372 PolarHBondContact O-N 3.16Å; Y368-L373 HydrophobicContact CG-CD2 4.46Å; Y368-E452 PolarHBondContact OH-OE1 3.39Å
369G98.5Very high98.5Very high26 Ų2644.8 Ų44.827%0.26823%0.225SC..Hα-helixtrans66.8165-169.700000112.8I365 T371 G372 L373I365-G369 WeakPolarHBondContact O-CA 3.37Å; I365-G369 PolarHBondContact O-N 3.39Å; G369-T371 PolarHBondContact O-N 2.99Å; G369-G372 PolarHBondContact O-N 2.91Å; G369-L373 WeakPolarHBondContact O-CG 3.41Å; G369-L373 PolarHBondContact O-N 3.31Å; G369-L373 VanDerWaalsContact O-N 3.12Å
370A98.4Very high98.6Very high28 Ų2844.5 Ų44.523%0.23122%0.223CC..Hα-helixtrans-59.6-35.3176.200000112.4L125 R374L125-A370 HydrophobicContact CD2-CB 3.57Å; A370-R374 WeakPolarHBondContact O-CB 3.41Å; A370-R374 WeakPolarHBondContact O-CD 3.41Å; A370-R374 WeakPolarHBondContact O-CG 3.28Å; A370-R374 PolarHBondContact O-N 2.74Å
371T98.7Very high98.6Very high96 Ų9644.8 Ų44.859%0.58923%0.225SC*.Hα-helixtrans-65.5-45.5177.1-57.40000112G369 R374 N375G369-T371 PolarHBondContact O-N 2.99Å; T371-R374 PolarHBondContact O-N 2.66Å; T371-N375 WeakPolarHBondContact O-CB 3.48Å; T371-N375 VanDerWaalsContact O-CG 3.23Å; T371-N375 PolarHBondContact O-N 2.87Å
372G98.6Very high98.6Very high24 Ų2450.8 Ų50.825%0.24725%0.253CS..Hα-helixtrans-62.6-44.6177.700000112.1Y368 G369 R374 N375 Y376Y368-G372 VanDerWaalsContact O-CA 3.31Å; Y368-G372 WeakPolarHBondContact O-CA 3.39Å; Y368-G372 PolarHBondContact O-N 3.16Å; G369-G372 PolarHBondContact O-N 2.91Å; G372-R374 PolarHBondContact O-N 3.23Å; G372-N375 PolarHBondContact O-N 3.02Å; G372-Y376 PolarHBondContact O-N 2.86Å
373L98.7Very high98.6Very high1 Ų148 Ų481%0.00524%0.244CC..Hα-helixtrans-62.5-42.2176.9-65174.5000112.4I283 M308 L309 V364 I365 Y368 G369 Y376 I377I283-L373 HydrophobicContact CD1-CB 3.71Å; M308-L373 HydrophobicContact CG-CD1 4.36Å; M308-L373 HydrophobicContact CG-CD2 4.25Å; L309-L373 HydrophobicContact CD1-CD2 4.21Å; V364-L373 HydrophobicContact CG1-CD2 4.02Å; I365-L373 HydrophobicContact CG1-CD1 4.14Å; Y368-L373 HydrophobicContact CG-CD2 4.46Å; G369-L373 WeakPolarHBondContact O-CG 3.41Å; G369-L373 PolarHBondContact O-N 3.31Å; G369-L373 VanDerWaalsContact O-N 3.12Å; L373-Y376 WeakPolarHBondContact O-CB 3.3Å; L373-Y376 PolarHBondContact O-N 2.77Å; L373-I377 WeakPolarHBondContact O-CG1 3.16Å; L373-I377 PolarHBondContact O-N 3.32Å; L373-I377 VanDerWaalsContact O-N 3.11Å
374R98.8Very high98.6Very high54 Ų5445.7 Ų45.720%0.20423%0.234CC..Hα-helixtrans-62.5-42.3174.7-73.7168.8-176.8136.93.2112.1I283 A370 T371 G372 Y376 I377 R378I283-R374 HydrophobicContact CD1-CG 4.19Å; I283-R374 HydrophobicContact CG1-CG 3.92Å; I283-R374 PolarHBondContact O-NE 3.12Å; A370-R374 WeakPolarHBondContact O-CB 3.41Å; A370-R374 WeakPolarHBondContact O-CD 3.41Å; A370-R374 WeakPolarHBondContact O-CG 3.28Å; A370-R374 PolarHBondContact O-N 2.74Å; T371-R374 PolarHBondContact O-N 2.66Å; G372-R374 PolarHBondContact O-N 3.23Å; R374-Y376 VanDerWaalsContact C-N 3.35Å; R374-I377 PolarHBondContact O-N 3.05Å; R374-R378 WeakPolarHBondContact O-CB 3.26Å; R374-R378 VanDerWaalsContact O-CG 3.28Å; R374-R378 WeakPolarHBondContact O-CG 3.14Å; R374-R378 PolarHBondContact O-N 2.95Å
375N98.6Very high98.6Very high85 Ų8553.1 Ų53.146%0.45526%0.262SS..Hα-helixtrans-65.9-38.2178.7-70.9-10.7000111.8T371 G372 R378 S379T371-N375 WeakPolarHBondContact O-CB 3.48Å; T371-N375 VanDerWaalsContact O-CG 3.23Å; T371-N375 PolarHBondContact O-N 2.87Å; G372-N375 PolarHBondContact O-N 3.02Å; N375-R378 PolarHBondContact O-N 2.96Å; N375-S379 PolarHBondContact O-N 3.18Å
376Y98.5Very high98.6Very high19 Ų1955.5 Ų55.58%0.07527%0.271CS..Hα-helixtrans-59.5-47.6172.7167.1-102.9000112.6W307 L309 G372 L373 R374 R378 S379 H380W307-Y376 AromaticContact CD1-CE1 3.86Å; W307-Y376 WeakPolarHBondContact O-CE1 3.43Å; L309-Y376 HydrophobicContact CD1-CD1 4.24Å; L309-Y376 HydrophobicContact CD1-CD2 4.21Å; L309-Y376 HydrophobicContact CD1-CG 4.01Å; L309-Y376 HydrophobicContact CD2-CD1 4.29Å; L309-Y376 HydrophobicContact CD2-CD2 4Å; L309-Y376 HydrophobicContact CD2-CE1 3.89Å; L309-Y376 HydrophobicContact CD2-CE2 3.56Å; L309-Y376 HydrophobicContact CD2-CG 4.34Å; L309-Y376 VanDerWaalsContact CD2-CZ 3.49Å; L309-Y376 HydrophobicContact CG-CD1 3.98Å; L309-Y376 HydrophobicContact CG-CD2 4.32Å; L309-Y376 HydrophobicContact CG-CE1 3.92Å; L309-Y376 HydrophobicContact CG-CE2 4.26Å; L309-Y376 HydrophobicContact CG-CG 4.18Å; G372-Y376 PolarHBondContact O-N 2.86Å; L373-Y376 WeakPolarHBondContact O-CB 3.3Å; L373-Y376 PolarHBondContact O-N 2.77Å; R374-Y376 VanDerWaalsContact C-N 3.35Å; Y376-R378 VanDerWaalsContact C-N 3.35Å; Y376-R378 PolarHBondContact O-N 2.87Å; Y376-S379 PolarHBondContact O-N 3.09Å; Y376-S379 PolarHBondContact O-OG 3.26Å; Y376-H380 AromaticContact CD2-NE2 3.8Å; Y376-H380 AromaticContact CE2-CD2 3.7Å; Y376-H380 AromaticContact CE2-CE1 3.61Å; Y376-H380 AromaticContact CE2-NE2 3.06Å; Y376-H380 WeakPolarHBondContact CE2-NE2 3.28Å; Y376-H380 AromaticContact CZ-CE1 3.63Å; Y376-H380 AromaticContact CZ-NE2 3.56Å; Y376-H380 PolarHBondContact O-CD2 3.08Å; Y376-H380 PolarHBondContact O-N 3.05Å; Y376-H380 PolarHBondContact OH-CE1 2.83Å; Y376-H380 VanDerWaalsContact OH-CE1 3.3Å
377I98.6Very high98.6Very high0 Ų047.8 Ų47.80%024%0.242CC..Hα-helixtrans-59.4-48.3174.6-66-64.8000110.4N280 A281 I283 F287 W307 L373 R374 S379 H380 V381N280-I377 HydrophobicContact CB-CD1 4.35Å; A281-I377 HydrophobicContact CB-CG2 3.83Å; I283-I377 HydrophobicContact CD1-CG1 4.35Å; F287-I377 HydrophobicContact CE2-CG2 4.11Å; W307-I377 HydrophobicContact CB-CD1 4.48Å; W307-I377 HydrophobicContact CD2-CD1 3.56Å; W307-I377 HydrophobicContact CE3-CD1 3.78Å; W307-I377 HydrophobicContact CG-CD1 3.89Å; W307-I377 HydrophobicContact CH2-CG2 4.1Å; W307-I377 HydrophobicContact CZ2-CD1 4.36Å; W307-I377 HydrophobicContact CZ2-CG2 4.42Å; W307-I377 HydrophobicContact CZ3-CD1 4.27Å; W307-I377 HydrophobicContact CZ3-CG2 4.35Å; W307-I377 WeakPolarHBondContact O-CD1 3.06Å; L373-I377 WeakPolarHBondContact O-CG1 3.16Å; L373-I377 PolarHBondContact O-N 3.32Å; L373-I377 VanDerWaalsContact O-N 3.11Å; R374-I377 PolarHBondContact O-N 3.05Å; I377-S379 VanDerWaalsContact C-N 3.33Å; I377-S379 PolarHBondContact O-N 3.25Å; I377-H380 PolarHBondContact O-N 3.18Å; I377-V381 HydrophobicContact CG2-CG2 4.38Å; I377-V381 WeakPolarHBondContact O-CG2 3.41Å; I377-V381 PolarHBondContact O-N 3.3Å
378R98.6Very high98.6Very high80 Ų8042.8 Ų42.830%0.30222%0.216SC..Hα-helixtrans-61.1-39-178.1-74.2167.1177.4155.3-1.3112.7E286 R374 N375 Y376 V381 Q382E286-R378 IonicContact OE1-CZ 3.99Å; E286-R378 VanDerWaalsContact OE1-CZ 3.31Å; E286-R378 IonicContact OE1-NE 3.4Å; E286-R378 PolarHBondContact OE1-NE 2.97Å; E286-R378 IonicContact OE1-NH2 3.38Å; E286-R378 PolarHBondContact OE1-NH2 2.96Å; E286-R378 IonicContact OE2-CZ 2.64Å; E286-R378 IonicContact OE2-NE 2.74Å; E286-R378 IonicContact OE2-NH2 2.97Å; E286-R378 PolarHBondContact OE2-NH2 2.83Å; R374-R378 WeakPolarHBondContact O-CB 3.26Å; R374-R378 VanDerWaalsContact O-CG 3.28Å; R374-R378 WeakPolarHBondContact O-CG 3.14Å; R374-R378 PolarHBondContact O-N 2.95Å; N375-R378 PolarHBondContact O-N 2.96Å; Y376-R378 VanDerWaalsContact C-N 3.35Å; Y376-R378 PolarHBondContact O-N 2.87Å; R378-V381 PolarHBondContact O-N 3.05Å; R378-Q382 WeakPolarHBondContact O-CB 3.21Å; R378-Q382 VanDerWaalsContact O-CG 3.28Å; R378-Q382 WeakPolarHBondContact O-CG 3.28Å; R378-Q382 PolarHBondContact O-N 3Å
379S98.5Very high98.6Very high42 Ų4244.2 Ų44.229%0.29423%0.228SC..Hα-helixtrans-64.1-43.8177.866.50000111.2N375 Y376 I377 V381 Q382 L383N375-S379 PolarHBondContact O-N 3.18Å; Y376-S379 PolarHBondContact O-N 3.09Å; Y376-S379 PolarHBondContact O-OG 3.26Å; I377-S379 VanDerWaalsContact C-N 3.33Å; I377-S379 PolarHBondContact O-N 3.25Å; S379-V381 VanDerWaalsContact C-N 3.35Å; S379-V381 PolarHBondContact O-N 2.89Å; S379-Q382 PolarHBondContact O-N 2.93Å; S379-L383 WeakPolarHBondContact O-CG 3.4Å; S379-L383 PolarHBondContact O-N 3.24Å
380H98.6Very high98.6Very high1 Ų145.9 Ų45.91%0.00523%0.228CC..Hα-helixtrans-62.2-40.9175.3-78-135.3000111.9W307 Y376 I377 L383 A384 I449 H451W307-H380 AromaticContact CD1-ND1 3.92Å; W307-H380 HydrophobicContact CZ2-CB 3.57Å; W307-H380 AromaticContact NE1-CE1 3.95Å; W307-H380 AromaticContact NE1-CG 3.51Å; W307-H380 AromaticContact NE1-ND1 3.11Å; W307-H380 PolarHBondContact NE1-ND1 2.92Å; W307-H380 VanDerWaalsContact NE1-ND1 3.11Å; Y376-H380 AromaticContact CD2-NE2 3.8Å; Y376-H380 AromaticContact CE2-CD2 3.7Å; Y376-H380 AromaticContact CE2-CE1 3.61Å; Y376-H380 AromaticContact CE2-NE2 3.06Å; Y376-H380 WeakPolarHBondContact CE2-NE2 3.28Å; Y376-H380 AromaticContact CZ-CE1 3.63Å; Y376-H380 AromaticContact CZ-NE2 3.56Å; Y376-H380 PolarHBondContact O-CD2 3.08Å; Y376-H380 PolarHBondContact O-N 3.05Å; Y376-H380 PolarHBondContact OH-CE1 2.83Å; Y376-H380 VanDerWaalsContact OH-CE1 3.3Å; I377-H380 PolarHBondContact O-N 3.18Å; H380-L383 PolarHBondContact O-N 2.98Å; H380-A384 PolarHBondContact O-N 3.12Å; H380-I449 HydrophobicContact CB-CB 4.29Å; H380-I449 HydrophobicContact CB-CG2 4.07Å; H380-I449 PolarHBondContact ND1-O 2.82Å; H380-H451 PolarHBondContact CE1-O 3.32Å; H380-H451 PolarHBondContact NE2-O 3.49Å
381V98.6Very high98.6Very high6 Ų644.6 Ų44.64%0.03622%0.218CC..Hα-helixtrans-64.1-39.4174.81790000111.7F287 W307 I377 R378 S379 A384 R385F287-V381 HydrophobicContact CE2-CG2 4.24Å; F287-V381 HydrophobicContact CZ-CB 4.41Å; F287-V381 HydrophobicContact CZ-CG1 4.13Å; F287-V381 HydrophobicContact CZ-CG2 3.89Å; W307-V381 HydrophobicContact CH2-CG2 3.81Å; W307-V381 HydrophobicContact CZ2-CG2 4.27Å; I377-V381 HydrophobicContact CG2-CG2 4.38Å; I377-V381 WeakPolarHBondContact O-CG2 3.41Å; I377-V381 PolarHBondContact O-N 3.3Å; R378-V381 PolarHBondContact O-N 3.05Å; S379-V381 VanDerWaalsContact C-N 3.35Å; S379-V381 PolarHBondContact O-N 2.89Å; V381-A384 PolarHBondContact O-N 2.89Å; V381-R385 WeakPolarHBondContact O-CG 3.48Å; V381-R385 PolarHBondContact O-N 2.89Å
382Q98.5Very high98.6Very high126 Ų12647.2 Ų47.259%0.58922%0.217SC*.Hα-helixtrans-64.5-41.6176.2-74.6171.6-7.200112R378 S379 R385 Y386R378-Q382 WeakPolarHBondContact O-CB 3.21Å; R378-Q382 VanDerWaalsContact O-CG 3.28Å; R378-Q382 WeakPolarHBondContact O-CG 3.28Å; R378-Q382 PolarHBondContact O-N 3Å; S379-Q382 PolarHBondContact O-N 2.93Å; Q382-R385 WeakPolarHBondContact O-CB 3.42Å; Q382-R385 PolarHBondContact O-N 3.32Å; Q382-Y386 PolarHBondContact O-N 2.94Å
383L98.8Very high98.5Very high15 Ų1550.1 Ų50.18%0.07924%0.238CC..Hα-helixtrans-65-40175.2-68.2169.2000112S379 H380 R385 Y386 F387 I449 A454 I456 I459S379-L383 WeakPolarHBondContact O-CG 3.4Å; S379-L383 PolarHBondContact O-N 3.24Å; H380-L383 PolarHBondContact O-N 2.98Å; L383-R385 VanDerWaalsContact C-N 3.35Å; L383-R385 PolarHBondContact O-N 3.35Å; L383-Y386 WeakPolarHBondContact O-CB 3.37Å; L383-Y386 PolarHBondContact O-N 3.18Å; L383-F387 PolarHBondContact O-N 3.4Å; L383-I449 HydrophobicContact CB-CD1 4.39Å; L383-I449 HydrophobicContact CB-CG1 4.28Å; L383-I449 HydrophobicContact CB-CG2 4.19Å; L383-I449 HydrophobicContact CD1-CG2 4.02Å; L383-A454 HydrophobicContact CD1-CB 3.7Å; L383-A454 VanDerWaalsContact CD1-O 3.25Å; L383-A454 WeakPolarHBondContact CD1-O 2.99Å; L383-I456 HydrophobicContact CD2-CG1 3.91Å; L383-I459 HydrophobicContact CB-CD1 4.49Å; L383-I459 HydrophobicContact CB-CG1 4.29Å; L383-I459 HydrophobicContact CD2-CG1 4.04Å
384A98.7Very high98.5Very high4 Ų452 Ų523%0.03325%0.248CC..Hα-helixtrans-61.5-43.117300000111.5H380 V381 Y386 F387 V388 V408 I449H380-A384 PolarHBondContact O-N 3.12Å; V381-A384 PolarHBondContact O-N 2.89Å; A384-Y386 VanDerWaalsContact C-N 3.35Å; A384-Y386 PolarHBondContact O-N 3.42Å; A384-F387 PolarHBondContact O-N 2.97Å; A384-V388 VanDerWaalsContact O-CG2 3.3Å; A384-V388 WeakPolarHBondContact O-CG2 3.25Å; A384-V388 PolarHBondContact O-N 3.4Å; A384-V408 HydrophobicContact CB-CG2 3.95Å; A384-I449 HydrophobicContact CB-CG1 3.95Å
385R98.5Very high98.4Very high155 Ų15555.9 Ų55.959%0.58527%0.273SS*.Hα-helixtrans-62.2-40.2173.8-72.5174.7-179.6173.41112.4V381 Q382 L383 V388 N389V381-R385 WeakPolarHBondContact O-CG 3.48Å; V381-R385 PolarHBondContact O-N 2.89Å; Q382-R385 WeakPolarHBondContact O-CB 3.42Å; Q382-R385 PolarHBondContact O-N 3.32Å; L383-R385 VanDerWaalsContact C-N 3.35Å; L383-R385 PolarHBondContact O-N 3.35Å; R385-V388 WeakPolarHBondContact O-CB 3.36Å; R385-V388 PolarHBondContact O-N 3.38Å; R385-N389 PolarHBondContact O-N 3.48Å; R385-N389 VanDerWaalsContact O-N 3.14Å
386Y98.7Very high98.3Very high64 Ų6453.2 Ų53.225%0.25126%0.263SS..Hα-helixtrans-60.2-46.5173.9177.5-103.5000111.2Q382 L383 A384 V388 N389 K390 I456 I459 D460Q382-Y386 PolarHBondContact O-N 2.94Å; L383-Y386 WeakPolarHBondContact O-CB 3.37Å; L383-Y386 PolarHBondContact O-N 3.18Å; A384-Y386 VanDerWaalsContact C-N 3.35Å; A384-Y386 PolarHBondContact O-N 3.42Å; Y386-V388 PolarHBondContact O-N 3.44Å; Y386-N389 WeakPolarHBondContact O-CB 3.35Å; Y386-N389 PolarHBondContact O-N 3.13Å; Y386-N389 VanDerWaalsContact O-N 3.15Å; Y386-K390 HydrophobicContact CE1-CG 4.38Å; Y386-K390 PolarHBondContact O-N 3.28Å; Y386-K390 WeakPolarHBondContact OH-CE 3.35Å; Y386-K390 PolarHBondContact OH-NZ 2.97Å; Y386-K390 VanDerWaalsContact OH-NZ 3.15Å; Y386-I456 HydrophobicContact CD1-CG2 4.46Å; Y386-I456 HydrophobicContact CE1-CG2 3.73Å; Y386-I456 HydrophobicContact CE2-CG2 4.4Å; Y386-I459 HydrophobicContact CD1-CB 4.21Å; Y386-I459 HydrophobicContact CD1-CG2 3.88Å; Y386-I459 HydrophobicContact CE1-CB 4.36Å; Y386-I459 HydrophobicContact CE1-CG2 4.22Å; Y386-D460 WeakPolarHBondContact CE1-OD1 3.43Å; Y386-D460 VanDerWaalsContact OH-CG 3.26Å; Y386-D460 PolarHBondContact OH-OD1 2.67Å; Y386-D460 PolarHBondContact OH-OD2 2.93Å
387F98.7Very high98.3Very high0 Ų052.6 Ų52.60%026%0.26CS..Hα-helixtrans-61.4-41.1175.5-174.1-102.1000112.5L383 A384 N389 K390 V391 V408 F410 F447 I459 W463 I466L383-F387 PolarHBondContact O-N 3.4Å; A384-F387 PolarHBondContact O-N 2.97Å; F387-N389 VanDerWaalsContact C-N 3.26Å; F387-N389 PolarHBondContact O-N 2.98Å; F387-K390 WeakPolarHBondContact O-CB 3.49Å; F387-K390 PolarHBondContact O-N 3.02Å; F387-K390 VanDerWaalsContact O-N 3.1Å; F387-V391 HydrophobicContact CD1-CG2 3.95Å; F387-V391 HydrophobicContact CE1-CG2 3.59Å; F387-V391 HydrophobicContact CZ-CG2 3.97Å; F387-V391 WeakPolarHBondContact O-CG2 3.47Å; F387-V391 PolarHBondContact O-N 3.38Å; F387-V408 HydrophobicContact CD1-CB 3.75Å; F387-V408 HydrophobicContact CD1-CG1 3.81Å; F387-V408 HydrophobicContact CD1-CG2 3.92Å; F387-V408 HydrophobicContact CE1-CB 4.13Å; F387-V408 HydrophobicContact CE1-CG1 4.08Å; F387-F410 AromaticContact CE1-CD1 3.92Å; F387-F410 HydrophobicContact CE1-CD1 3.92Å; F387-F410 AromaticContact CE1-CE1 3.73Å; F387-F410 HydrophobicContact CE1-CE1 3.73Å; F387-F410 HydrophobicContact CE1-CZ 4.36Å; F387-F410 HydrophobicContact CZ-CD1 4.38Å; F387-F410 AromaticContact CZ-CE1 3.77Å; F387-F410 HydrophobicContact CZ-CE1 3.77Å; F387-F410 AromaticContact CZ-CZ 3.99Å; F387-F410 HydrophobicContact CZ-CZ 3.99Å; F387-F447 HydrophobicContact CD1-CB 4.36Å; F387-F447 AromaticContact CD1-CD1 3.86Å; F387-F447 HydrophobicContact CD1-CD1 3.86Å; F387-F447 HydrophobicContact CD1-CE1 4.42Å; F387-F447 HydrophobicContact CD1-CG 4.17Å; F387-F447 HydrophobicContact CD2-CD1 4.12Å; F387-F447 AromaticContact CD2-CE1 3.9Å; F387-F447 HydrophobicContact CD2-CE1 3.9Å; F387-F447 HydrophobicContact CD2-CZ 4.15Å; F387-F447 HydrophobicContact CE1-CB 3.71Å; F387-F447 AromaticContact CE1-CD1 3.87Å; F387-F447 HydrophobicContact CE1-CD1 3.87Å; F387-F447 HydrophobicContact CE1-CD2 4.25Å; F387-F447 AromaticContact CE1-CG 3.68Å; F387-F447 HydrophobicContact CE1-CG 3.68Å; F387-F447 HydrophobicContact CE2-CD1 4.1Å; F387-F447 HydrophobicContact CE2-CD2 4Å; F387-F447 HydrophobicContact CE2-CE1 4.04Å; F387-F447 AromaticContact CE2-CE2 3.94Å; F387-F447 HydrophobicContact CE2-CE2 3.94Å; F387-F447 HydrophobicContact CE2-CG 4.08Å; F387-F447 AromaticContact CE2-CZ 3.96Å; F387-F447 HydrophobicContact CE2-CZ 3.96Å; F387-F447 AromaticContact CG-CD1 3.99Å; F387-F447 HydrophobicContact CG-CD1 3.99Å; F387-F447 HydrophobicContact CG-CE1 4.09Å; F387-F447 HydrophobicContact CZ-CB 4.01Å; F387-F447 AromaticContact CZ-CD1 3.98Å; F387-F447 HydrophobicContact CZ-CD1 3.98Å; F387-F447 AromaticContact CZ-CD2 3.71Å; F387-F447 HydrophobicContact CZ-CD2 3.71Å; F387-F447 HydrophobicContact CZ-CE1 4.38Å; F387-F447 HydrophobicContact CZ-CE2 4.14Å; F387-F447 AromaticContact CZ-CG 3.62Å; F387-F447 HydrophobicContact CZ-CG 3.62Å; F387-F447 HydrophobicContact CZ-CZ 4.46Å; F387-I459 HydrophobicContact CB-CG2 3.85Å; F387-I459 HydrophobicContact CD2-CG2 3.64Å; F387-I459 HydrophobicContact CG-CG2 4.21Å; F387-W463 HydrophobicContact CD2-CE3 4.45Å; F387-W463 HydrophobicContact CE2-CB 4.28Å; F387-W463 HydrophobicContact CE2-CD2 4.37Å; F387-W463 AromaticContact CE2-CE3 3.61Å; F387-W463 HydrophobicContact CE2-CE3 3.61Å; F387-W463 HydrophobicContact CE2-CZ3 4.39Å; F387-W463 AromaticContact CZ-CE3 3.88Å; F387-W463 HydrophobicContact CZ-CE3 3.88Å; F387-W463 HydrophobicContact CZ-CZ3 4.23Å; F387-I466 HydrophobicContact CE2-CD1 4.2Å; F387-I466 HydrophobicContact CZ-CD1 4.06Å
388V98.7Very high98.3Very high5 Ų556.3 Ų56.33%0.0328%0.278CS..Hα-helixtrans-55.7-41.9173.8169.30000111.6A384 R385 Y386 K390 V391 R392 I399 P403 V408A384-V388 VanDerWaalsContact O-CG2 3.3Å; A384-V388 WeakPolarHBondContact O-CG2 3.25Å; A384-V388 PolarHBondContact O-N 3.4Å; R385-V388 WeakPolarHBondContact O-CB 3.36Å; R385-V388 PolarHBondContact O-N 3.38Å; Y386-V388 PolarHBondContact O-N 3.44Å; V388-K390 VanDerWaalsContact C-N 3.35Å; V388-V391 PolarHBondContact O-N 3.48Å; V388-R392 HydrophobicContact CG1-CG 4.36Å; V388-R392 WeakPolarHBondContact O-CB 3.33Å; V388-R392 WeakPolarHBondContact O-CG 3.43Å; V388-R392 PolarHBondContact O-N 2.88Å; V388-I399 HydrophobicContact CG1-CD1 4.39Å; V388-P403 HydrophobicContact CG1-CG 4.17Å; V388-P403 HydrophobicContact CG2-CB 3.48Å; V388-P403 VanDerWaalsContact CG2-CB 3.48Å; V388-P403 HydrophobicContact CG2-CG 3.97Å; V388-V408 HydrophobicContact CG2-CB 4.38Å; V388-V408 HydrophobicContact CG2-CG1 3.73Å; V388-V408 HydrophobicContact CG2-CG2 3.7Å
389N98.4Very high98.3Very high97 Ų9754.4 Ų54.452%0.51927%0.273SS..Hα-helixtrans-65.1-38.7178.3-67.4-21.3000111.8R385 Y386 F387 R392 A393R385-N389 PolarHBondContact O-N 3.48Å; R385-N389 VanDerWaalsContact O-N 3.14Å; Y386-N389 WeakPolarHBondContact O-CB 3.35Å; Y386-N389 PolarHBondContact O-N 3.13Å; Y386-N389 VanDerWaalsContact O-N 3.15Å; F387-N389 VanDerWaalsContact C-N 3.26Å; F387-N389 PolarHBondContact O-N 2.98Å; N389-R392 PolarHBondContact O-N 3.13Å; N389-A393 WeakPolarHBondContact O-CB 3.38Å; N389-A393 PolarHBondContact O-N 3.18Å
390K98.4Very high98.2Very high61 Ų6153 Ų5327%0.26526%0.262SS..Hα-helixtrans-61.4-47.3173.5-66-76.1-174160.30111.8Y386 F387 V388 R392 A393 N394 D460 W463Y386-K390 HydrophobicContact CE1-CG 4.38Å; Y386-K390 PolarHBondContact O-N 3.28Å; Y386-K390 WeakPolarHBondContact OH-CE 3.35Å; Y386-K390 PolarHBondContact OH-NZ 2.97Å; Y386-K390 VanDerWaalsContact OH-NZ 3.15Å; F387-K390 WeakPolarHBondContact O-CB 3.49Å; F387-K390 PolarHBondContact O-N 3.02Å; F387-K390 VanDerWaalsContact O-N 3.1Å; V388-K390 VanDerWaalsContact C-N 3.35Å; K390-R392 PolarHBondContact O-N 3.07Å; K390-A393 PolarHBondContact O-N 3Å; K390-N394 PolarHBondContact O-N 3.08Å; K390-D460 WeakPolarHBondContact CE-OD1 3.39Å; K390-D460 IonicContact NZ-OD1 2.69Å; K390-D460 PolarHBondContact NZ-OD1 3.08Å; K390-W463 HydrophobicContact CB-CD2 4Å; K390-W463 HydrophobicContact CB-CG 4.07Å; K390-W463 HydrophobicContact CB-CZ2 4.46Å; K390-W463 HydrophobicContact CG-CG 4.47Å; K390-W463 WeakPolarHBondContact O-CZ2 3.18Å
391V98.6Very high98Very high1 Ų154.5 Ų54.51%0.00628%0.279CS..Hα-helixtrans-60.8-46177.9177.50000111F387 V388 A393 N394 I399 F410 W463F387-V391 HydrophobicContact CD1-CG2 3.95Å; F387-V391 HydrophobicContact CE1-CG2 3.59Å; F387-V391 HydrophobicContact CZ-CG2 3.97Å; F387-V391 WeakPolarHBondContact O-CG2 3.47Å; F387-V391 PolarHBondContact O-N 3.38Å; V388-V391 PolarHBondContact O-N 3.48Å; V391-A393 VanDerWaalsContact C-N 3.31Å; V391-A393 PolarHBondContact O-N 3.01Å; V391-N394 PolarHBondContact O-N 2.97Å; V391-I399 HydrophobicContact CB-CD1 3.88Å; V391-I399 HydrophobicContact CG1-CD1 3.57Å; V391-I399 HydrophobicContact CG1-CG1 4.22Å; V391-I399 HydrophobicContact CG2-CD1 4.44Å; V391-F410 HydrophobicContact CG1-CB 3.86Å; V391-F410 HydrophobicContact CG1-CD2 4.2Å; V391-F410 HydrophobicContact CG1-CG 4.23Å; V391-F410 HydrophobicContact CG2-CD2 4.3Å; V391-F410 HydrophobicContact CG2-CG 4.22Å; V391-W463 HydrophobicContact CB-CH2 4.29Å; V391-W463 HydrophobicContact CB-CZ3 4.44Å; V391-W463 HydrophobicContact CG2-CE3 4.3Å; V391-W463 HydrophobicContact CG2-CH2 3.96Å; V391-W463 HydrophobicContact CG2-CZ3 3.63Å
392R98Very high97.7Very high152 Ų15259.3 Ų59.357%0.57430%0.304SS*.Hα-helixtrans-66.1-30.7179.3-75.2176.8174.3157.9-2113.4V388 N389 K390 N394 I399V388-R392 HydrophobicContact CG1-CG 4.36Å; V388-R392 WeakPolarHBondContact O-CB 3.33Å; V388-R392 WeakPolarHBondContact O-CG 3.43Å; V388-R392 PolarHBondContact O-N 2.88Å; N389-R392 PolarHBondContact O-N 3.13Å; K390-R392 PolarHBondContact O-N 3.07Å; R392-N394 PolarHBondContact O-N 3.19Å; R392-I399 HydrophobicContact CG-CG1 4.24Å
393A98.2Very high97.5Very high84 Ų8455 Ų5569%0.69429%0.287SS*.Hα-helixtrans-70.4-17.6177.900000113.1N389 K390 V391N389-A393 WeakPolarHBondContact O-CB 3.38Å; N389-A393 PolarHBondContact O-N 3.18Å; K390-A393 PolarHBondContact O-N 3Å; V391-A393 VanDerWaalsContact C-N 3.31Å; V391-A393 PolarHBondContact O-N 3.01Å
394N97.2Very high97.3Very high41 Ų4155.4 Ų55.422%0.21929%0.29CS..SBendtrans-106.6110.5179.5-172.8-32.3000111.5K390 V391 R392 A396 Y397 W463 E467K390-N394 PolarHBondContact O-N 3.08Å; V391-N394 PolarHBondContact O-N 2.97Å; R392-N394 PolarHBondContact O-N 3.19Å; N394-A396 PolarHBondContact O-N 2.9Å; N394-A396 VanDerWaalsContact OD1-CB 3.3Å; N394-A396 WeakPolarHBondContact OD1-CB 3.38Å; N394-A396 PolarHBondContact OD1-N 2.82Å; N394-Y397 HydrophobicContact CB-CD2 3.81Å; N394-Y397 HydrophobicContact CB-CE2 4.13Å; N394-Y397 PolarHBondContact O-N 2.91Å; N394-Y397 VanDerWaalsContact O-N 3.09Å; N394-W463 HydrophobicContact CB-CZ2 3.96Å; N394-E467 PolarHBondContact ND2-OE1 3.09Å
395N96.6Very high97.2Very high135 Ų13555.4 Ų55.472%0.72229%0.29SS*.THydrogen-bonded Turntrans-61.1-15.4-175.6-75.7-25.9000115.3Y397 K413N395-Y397 PolarHBondContact O-N 2.88Å; N395-K413 WeakPolarHBondContact O-CD 3.37Å; N395-K413 PolarHBondContact O-NZ 2.99Å
396A97.2Very high97.2Very high29 Ų2948 Ų4824%0.2426%0.262CS..THydrogen-bonded Turntrans-71.4-17.1176.400000113.2N394 L412 K413 L474N394-A396 PolarHBondContact O-N 2.9Å; N394-A396 VanDerWaalsContact OD1-CB 3.3Å; N394-A396 WeakPolarHBondContact OD1-CB 3.38Å; N394-A396 PolarHBondContact OD1-N 2.82Å; A396-L412 HydrophobicContact CB-CD2 4.17Å; A396-K413 PolarHBondContact O-N 3.43Å; A396-L474 HydrophobicContact CB-CD1 4.19Å
397Y98.5Very high97.2Very high6 Ų645.2 Ų45.22%0.02425%0.251CS..EExtended strand (participates in β ladder)trans-114162.1-175.1-56.1-88.9000112.9N394 N395 F410 R411 L412 K413 L422 W463 I466 S470N394-Y397 HydrophobicContact CB-CD2 3.81Å; N394-Y397 HydrophobicContact CB-CE2 4.13Å; N394-Y397 PolarHBondContact O-N 2.91Å; N394-Y397 VanDerWaalsContact O-N 3.09Å; N395-Y397 PolarHBondContact O-N 2.88Å; Y397-F410 AromaticContact CD1-CD2 3.8Å; Y397-F410 HydrophobicContact CD1-CD2 3.8Å; Y397-F410 AromaticContact CD1-CE2 3.96Å; Y397-F410 HydrophobicContact CD1-CE2 3.96Å; Y397-F410 HydrophobicContact CE1-CD2 4.34Å; Y397-F410 HydrophobicContact CE1-CE2 4.02Å; Y397-F410 HydrophobicContact CG-CD2 4.48Å; Y397-R411 VanDerWaalsContact CA-O 3.24Å; Y397-R411 WeakPolarHBondContact CA-O 3.44Å; Y397-R411 WeakPolarHBondContact CB-O 3.41Å; Y397-L412 HydrophobicContact CD1-CD2 3.66Å; Y397-L412 HydrophobicContact CD1-CG 4.19Å; Y397-L412 HydrophobicContact CE1-CD2 3.4Å; Y397-L412 VanDerWaalsContact CE1-CD2 3.4Å; Y397-L412 HydrophobicContact CE1-CG 3.96Å; Y397-L412 HydrophobicContact CG-CD2 4.32Å; Y397-K413 WeakPolarHBondContact O-CE 3.47Å; Y397-L422 HydrophobicContact CE1-CD2 4.24Å; Y397-W463 AromaticContact CD2-CH2 3.68Å; Y397-W463 HydrophobicContact CD2-CH2 3.68Å; Y397-W463 HydrophobicContact CD2-CZ2 4.34Å; Y397-W463 AromaticContact CE2-CH2 3.5Å; Y397-W463 HydrophobicContact CE2-CH2 3.5Å; Y397-W463 HydrophobicContact CE2-CZ2 4.05Å; Y397-W463 HydrophobicContact CE2-CZ3 4.37Å; Y397-W463 HydrophobicContact CG-CH2 4.23Å; Y397-W463 AromaticContact CZ-CH2 3.96Å; Y397-I466 HydrophobicContact CE1-CG2 4.21Å; Y397-I466 WeakPolarHBondContact OH-CG2 3.5Å; Y397-S470 VanDerWaalsContact OH-CB 3.23Å; Y397-S470 WeakPolarHBondContact OH-CB 3.31Å; Y397-S470 PolarHBondContact OH-OG 3.09Å
398E98.1Very high97.2Very high78 Ų7845.3 Ų45.336%0.36425%0.252SS..EExtended strand (participates in β ladder)trans-138.5148.6168.363.2-171.617600110.4F410 R411 K413E398-F410 CarbonylContact O-C 3.56Å; E398-F410 VanDerWaalsContact O-CA 3.23Å; E398-F410 WeakPolarHBondContact O-CA 3.28Å; E398-F410 WeakPolarHBondContact O-CB 3.32Å; E398-R411 HydrophobicContact CG-CG 3.51Å; E398-R411 PolarHBondContact N-O 3.35Å; E398-R411 PolarHBondContact O-N 3.14Å; E398-R411 VanDerWaalsContact OE1-CD 3.23Å; E398-R411 WeakPolarHBondContact OE1-CD 3.41Å; E398-R411 IonicContact OE1-NE 3.83Å; E398-K413 HydrophobicContact CB-CG 4.1Å; E398-K413 HydrophobicContact CG-CG 4.09Å
399I98.1Very high97.2Very high40 Ų4045.3 Ų45.321%0.20525%0.252CS..EExtended strand (participates in β ladder)trans-82.1138174.4-62-70.2000108.5V388 V391 R392 P403 V408 F410V388-I399 HydrophobicContact CG1-CD1 4.39Å; V391-I399 HydrophobicContact CB-CD1 3.88Å; V391-I399 HydrophobicContact CG1-CD1 3.57Å; V391-I399 HydrophobicContact CG1-CG1 4.22Å; V391-I399 HydrophobicContact CG2-CD1 4.44Å; R392-I399 HydrophobicContact CG-CG1 4.24Å; I399-P403 HydrophobicContact CG2-CG 4.32Å; I399-V408 HydrophobicContact CD1-CG1 3.89Å; I399-F410 HydrophobicContact CD1-CB 4.19Å
400V97.2Very high97.2Very high12 Ų1240.7 Ų40.77%0.07323%0.227CC..  trans-108.3118.6175.6-179.10000109F218 C409 R411 I442 F444F218-V400 HydrophobicContact CE2-CG1 4.32Å; F218-V400 HydrophobicContact CZ-CG1 4.07Å; V400-C409 HydrophobicContact CB-CB 4.34Å; V400-C409 PolarHBondContact N-O 3.39Å; V400-C409 VanDerWaalsContact O-CB 3.28Å; V400-C409 WeakPolarHBondContact O-CB 3.28Å; V400-R411 HydrophobicContact CG2-CB 4.46Å; V400-R411 HydrophobicContact CG2-CG 3.88Å; V400-I442 HydrophobicContact CG1-CG2 4.09Å; V400-I442 HydrophobicContact CG2-CG2 3.99Å; V400-F444 HydrophobicContact CB-CB 4.19Å; V400-F444 HydrophobicContact CB-CD1 4.33Å; V400-F444 HydrophobicContact CB-CG 4.22Å; V400-F444 HydrophobicContact CG1-CB 4.49Å; V400-F444 HydrophobicContact CG1-CD1 3.76Å; V400-F444 HydrophobicContact CG1-CE1 4.14Å; V400-F444 HydrophobicContact CG1-CG 4.14Å; V400-F444 HydrophobicContact CG2-CB 3.87Å; V400-F444 HydrophobicContact CG2-CG 4.39Å
401G93.7Very high97.2Very high34 Ų3438.6 Ų38.635%0.35122%0.218SC..SBendtrans78.5-169.7-176.500000113.9
402N93Very high97.1Very high106 Ų10638.6 Ų38.657%0.56722%0.218SC*.  trans-91.9117.4179.1-172.219.6000109.9V404N402-V404 HydrophobicContact CB-CG1 4.5Å; N402-V404 PolarHBondContact O-N 3.07Å; N402-V404 VanDerWaalsContact O-N 3.13Å
403P93.5Very high97.1Very high35 Ų3536.1 Ų36.123%0.22721%0.211CC..  trans-71.9109.1179.327.8-32.6000110.9V388 I399V388-P403 HydrophobicContact CG1-CG 4.17Å; V388-P403 HydrophobicContact CG2-CB 3.48Å; V388-P403 VanDerWaalsContact CG2-CB 3.48Å; V388-P403 HydrophobicContact CG2-CG 3.97Å; I399-P403 HydrophobicContact CG2-CG 4.32Å
404V94.6Very high96.9Very high25 Ų2534.9 Ų34.915%0.15221%0.206CC..BIsolated β-bridgetrans-138158.5-176.5-66.20000110C252 F254 N402C252-V404 WeakPolarHBondContact O-CG2 3.42Å; F254-V404 HydrophobicContact CD2-CG2 4.31Å; F254-V404 HydrophobicContact CE2-CB 4.5Å; F254-V404 HydrophobicContact CE2-CG2 3.6Å; N402-V404 HydrophobicContact CB-CG1 4.5Å; N402-V404 PolarHBondContact O-N 3.07Å; N402-V404 VanDerWaalsContact O-N 3.13Å
405M97.7Very high96.9Very high4 Ų435.4 Ų35.42%0.0221%0.213CC..THydrogen-bonded Turntrans57.2-139.6-175.4-53.4-55.617800111.8F254 Y277 A278 A281 F282 F287 Y290 W307F254-M405 HydrophobicContact CE1-CE 3.97Å; F254-M405 HydrophobicContact CE2-CE 4.43Å; F254-M405 HydrophobicContact CZ-CE 3.47Å; F254-M405 VanDerWaalsContact CZ-CE 3.47Å; F254-M405 HydrophobicContact CZ-CG 3.96Å; Y277-M405 HydrophobicContact CE1-CB 3.95Å; A278-M405 HydrophobicContact CB-CE 4.25Å; A278-M405 HydrophobicContact CB-CG 4.17Å; A281-M405 HydrophobicContact CB-CE 4.1Å; A281-M405 HydrophobicContact CB-SD 3.6Å; A281-M405 VanDerWaalsContact CB-SD 3.6Å; F282-M405 HydrophobicContact CE1-CE 4.03Å; F287-M405 HydrophobicContact CB-CE 4.14Å; F287-M405 HydrophobicContact CD1-CE 4.12Å; F287-M405 HydrophobicContact CD1-SD 4.18Å; F287-M405 HydrophobicContact CE1-SD 4.42Å; F287-M405 HydrophobicContact CG-CE 4.15Å; F287-M405 HydrophobicContact CG-SD 4.28Å; Y290-M405 HydrophobicContact CD2-CE 3.74Å; Y290-M405 HydrophobicContact CE2-CE 3.69Å; W307-M405 HydrophobicContact CH2-CB 3.83Å; W307-M405 HydrophobicContact CZ3-CB 3.84Å; W307-M405 HydrophobicContact CZ3-CG 4.37Å; W307-M405 HydrophobicContact CZ3-SD 4.26Å
406G97.8Very high96.9Very high0 Ų030.7 Ų30.70%019%0.188CC..THydrogen-bonded Turntrans-10516.9179.800000114.4Y277 S448 I449Y277-G406 WeakPolarHBondContact OH-CA 3.44Å; Y277-G406 PolarHBondContact OH-N 2.76Å; G406-S448 WeakPolarHBondContact O-CA 3.45Å; G406-I449 PolarHBondContact O-N 2.9Å
407L98.4Very high96.9Very high5 Ų534.9 Ų34.93%0.02620%0.202CC..EExtended strand (participates in β ladder)trans-114.1131178.1177.266.2000110.7F80 C252 R446F80-L407 HydrophobicContact CE1-CB 4.2Å; F80-L407 HydrophobicContact CE1-CD2 4Å; F80-L407 HydrophobicContact CZ-CD2 4.24Å; C252-L407 HydrophobicContact CB-CB 4.08Å; C252-L407 HydrophobicContact CB-CD2 3.68Å; C252-L407 HydrophobicContact CB-CG 4.4Å; L407-R446 HydrophobicContact CD1-CB 3.9Å; L407-R446 HydrophobicContact CD1-CG 4.44Å
408V98.6Very high96.9Very high1 Ų135.2 Ų35.21%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-118125.3171.7-173.40000109.6A384 F387 V388 I399 F447A384-V408 HydrophobicContact CB-CG2 3.95Å; F387-V408 HydrophobicContact CD1-CB 3.75Å; F387-V408 HydrophobicContact CD1-CG1 3.81Å; F387-V408 HydrophobicContact CD1-CG2 3.92Å; F387-V408 HydrophobicContact CE1-CB 4.13Å; F387-V408 HydrophobicContact CE1-CG1 4.08Å; V388-V408 HydrophobicContact CG2-CB 4.38Å; V388-V408 HydrophobicContact CG2-CG1 3.73Å; V388-V408 HydrophobicContact CG2-CG2 3.7Å; I399-V408 HydrophobicContact CD1-CG1 3.89Å; V408-F447 PolarHBondContact N-O 3.5Å; V408-F447 PolarHBondContact O-N 3.1Å
409C98.6Very high96.9Very high5 Ų531.5 Ų31.53%0.03419%0.187CC..EExtended strand (participates in β ladder)trans-106.1126175.7-67.40000109.7V400 F444 I445V400-C409 HydrophobicContact CB-CB 4.34Å; V400-C409 PolarHBondContact N-O 3.39Å; V400-C409 VanDerWaalsContact O-CB 3.28Å; V400-C409 WeakPolarHBondContact O-CB 3.28Å; C409-F444 HydrophobicContact CB-CD2 3.69Å; C409-F444 HydrophobicContact CB-CE2 3.86Å; C409-F444 HydrophobicContact CB-CG 4.5Å; C409-F444 VanDerWaalsContact SG-CE2 3.53Å; C409-I445 VanDerWaalsContact CA-O 3.32Å; C409-I445 WeakPolarHBondContact CA-O 3.44Å
410F98.7Very high96.9Very high0 Ų033.1 Ų33.10%019%0.194CC..EExtended strand (participates in β ladder)trans-151.8163.2-176.672.6-74.5000110.9F387 V391 Y397 E398 I399 I445 F447 W463 I466F387-F410 AromaticContact CE1-CD1 3.92Å; F387-F410 HydrophobicContact CE1-CD1 3.92Å; F387-F410 AromaticContact CE1-CE1 3.73Å; F387-F410 HydrophobicContact CE1-CE1 3.73Å; F387-F410 HydrophobicContact CE1-CZ 4.36Å; F387-F410 HydrophobicContact CZ-CD1 4.38Å; F387-F410 AromaticContact CZ-CE1 3.77Å; F387-F410 HydrophobicContact CZ-CE1 3.77Å; F387-F410 AromaticContact CZ-CZ 3.99Å; F387-F410 HydrophobicContact CZ-CZ 3.99Å; V391-F410 HydrophobicContact CG1-CB 3.86Å; V391-F410 HydrophobicContact CG1-CD2 4.2Å; V391-F410 HydrophobicContact CG1-CG 4.23Å; V391-F410 HydrophobicContact CG2-CD2 4.3Å; V391-F410 HydrophobicContact CG2-CG 4.22Å; Y397-F410 AromaticContact CD1-CD2 3.8Å; Y397-F410 HydrophobicContact CD1-CD2 3.8Å; Y397-F410 AromaticContact CD1-CE2 3.96Å; Y397-F410 HydrophobicContact CD1-CE2 3.96Å; Y397-F410 HydrophobicContact CE1-CD2 4.34Å; Y397-F410 HydrophobicContact CE1-CE2 4.02Å; Y397-F410 HydrophobicContact CG-CD2 4.48Å; E398-F410 CarbonylContact O-C 3.56Å; E398-F410 VanDerWaalsContact O-CA 3.23Å; E398-F410 WeakPolarHBondContact O-CA 3.28Å; E398-F410 WeakPolarHBondContact O-CB 3.32Å; I399-F410 HydrophobicContact CD1-CB 4.19Å; F410-I445 HydrophobicContact CD1-CB 4.12Å; F410-I445 HydrophobicContact CD1-CG2 4.27Å; F410-I445 HydrophobicContact CE1-CB 3.74Å; F410-I445 HydrophobicContact CE1-CG2 3.47Å; F410-I445 VanDerWaalsContact CE1-CG2 3.47Å; F410-I445 HydrophobicContact CE2-CB 4.44Å; F410-I445 HydrophobicContact CE2-CD1 3.93Å; F410-I445 HydrophobicContact CZ-CB 3.91Å; F410-I445 HydrophobicContact CZ-CD1 3.9Å; F410-I445 HydrophobicContact CZ-CG1 4.49Å; F410-I445 HydrophobicContact CZ-CG2 3.69Å; F410-I445 PolarHBondContact N-O 2.94Å; F410-I445 VanDerWaalsContact N-O 3.07Å; F410-I445 WeakPolarHBondContact O-CA 3.28Å; F410-I445 WeakPolarHBondContact O-CB 3.49Å; F410-I445 PolarHBondContact O-N 3.17Å; F410-F447 HydrophobicContact CE1-CB 4Å; F410-W463 HydrophobicContact CE2-CZ3 4.26Å; F410-I466 HydrophobicContact CE2-CG2 4.13Å; F410-I466 HydrophobicContact CZ-CD1 4.07Å; F410-I466 HydrophobicContact CZ-CG2 4.25Å
411R98.5Very high96.9Very high18 Ų1834 Ų347%0.06820%0.2CC..EExtended strand (participates in β ladder)trans-145.5164.9177.363.9177.4-68.3178.717.8111Y397 E398 V400 G414 S415 N416 T419 F444Y397-R411 VanDerWaalsContact CA-O 3.24Å; Y397-R411 WeakPolarHBondContact CA-O 3.44Å; Y397-R411 WeakPolarHBondContact CB-O 3.41Å; E398-R411 HydrophobicContact CG-CG 3.51Å; E398-R411 PolarHBondContact N-O 3.35Å; E398-R411 PolarHBondContact O-N 3.14Å; E398-R411 VanDerWaalsContact OE1-CD 3.23Å; E398-R411 WeakPolarHBondContact OE1-CD 3.41Å; E398-R411 IonicContact OE1-NE 3.83Å; V400-R411 HydrophobicContact CG2-CB 4.46Å; V400-R411 HydrophobicContact CG2-CG 3.88Å; R411-G414 PolarHBondContact NH2-O 3.1Å; R411-S415 PolarHBondContact NH2-O 3.07Å; R411-S415 VanDerWaalsContact NH2-O 3.14Å; R411-N416 PolarHBondContact NH1-OD1 3.38Å; R411-N416 PolarHBondContact NH2-OD1 2.85Å; R411-T419 HydrophobicContact CB-CG2 4.03Å; R411-F444 HydrophobicContact CB-CB 4.25Å
412L98.1Very high97.1Very high1 Ų132.4 Ų32.41%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-70.6137.1160.7-76.5173.8000108.6A396 Y397 G414 L418 T419 L422 L473 L474A396-L412 HydrophobicContact CB-CD2 4.17Å; Y397-L412 HydrophobicContact CD1-CD2 3.66Å; Y397-L412 HydrophobicContact CD1-CG 4.19Å; Y397-L412 HydrophobicContact CE1-CD2 3.4Å; Y397-L412 VanDerWaalsContact CE1-CD2 3.4Å; Y397-L412 HydrophobicContact CE1-CG 3.96Å; Y397-L412 HydrophobicContact CG-CD2 4.32Å; L412-G414 PolarHBondContact O-N 3.09Å; L412-L418 HydrophobicContact CB-CD2 4.01Å; L412-L418 HydrophobicContact CB-CG 4.23Å; L412-L418 HydrophobicContact CD1-CD1 4.25Å; L412-L418 HydrophobicContact CD1-CD2 4.13Å; L412-L418 HydrophobicContact CD1-CG 3.79Å; L412-T419 PolarHBondContact N-OG1 2.85Å; L412-T419 PolarHBondContact O-OG1 2.84Å; L412-L422 HydrophobicContact CD1-CB 4.15Å; L412-L422 HydrophobicContact CD1-CD2 3.66Å; L412-L422 HydrophobicContact CD1-CG 4.43Å; L412-L422 HydrophobicContact CG-CD2 3.77Å; L412-L473 HydrophobicContact CD1-CD2 4.32Å; L412-L474 HydrophobicContact CD2-CD1 4.32Å
413K97.1Very high97.4Very high100 Ų10027.7 Ų27.744%0.43516%0.159SC..SBendtrans-61.4134.5169-71.8178.6-177.2155.50109.1N395 A396 Y397 E398N395-K413 WeakPolarHBondContact O-CD 3.37Å; N395-K413 PolarHBondContact O-NZ 2.99Å; A396-K413 PolarHBondContact O-N 3.43Å; Y397-K413 WeakPolarHBondContact O-CE 3.47Å; E398-K413 HydrophobicContact CB-CG 4.1Å; E398-K413 HydrophobicContact CG-CG 4.09Å
414G94.6Very high97.6Very high57 Ų5731.3 Ų31.359%0.58817%0.172SC*.SBendtrans123.7-144.3-176.700000111.8R411 L412R411-G414 PolarHBondContact NH2-O 3.1Å; L412-G414 PolarHBondContact O-N 3.09Å
415S96Very high97.7Very high53 Ų5332.7 Ų32.737%0.37118%0.179SC..  trans-81.9164.3-172.485.90000113R411 E417 L418R411-S415 PolarHBondContact NH2-O 3.07Å; R411-S415 VanDerWaalsContact NH2-O 3.14Å; S415-E417 VanDerWaalsContact C-N 3.31Å; S415-E417 WeakPolarHBondContact CB-OE2 3.49Å; S415-E417 PolarHBondContact OG-N 3.41Å; S415-E417 PolarHBondContact OG-OE2 2.92Å; S415-L418 PolarHBondContact O-N 2.93Å; S415-L418 PolarHBondContact OG-N 3.33Å
416N98Very high97.7Very high36 Ų3632.5 Ų32.519%0.19318%0.178CC..Hα-helixtrans-66.2-37.6176.1-75.4-13.4000110.8R411 L418 T419 Q420 D441 Y443R411-N416 PolarHBondContact NH1-OD1 3.38Å; R411-N416 PolarHBondContact NH2-OD1 2.85Å; N416-L418 VanDerWaalsContact C-N 3.26Å; N416-L418 PolarHBondContact O-N 2.97Å; N416-T419 PolarHBondContact O-N 3.47Å; N416-T419 VanDerWaalsContact O-N 3.09Å; N416-Q420 WeakPolarHBondContact O-CG 3.29Å; N416-Q420 PolarHBondContact O-N 2.9Å; N416-D441 PolarHBondContact ND2-O 3.25Å; N416-Y443 PolarHBondContact OD1-N 3.43Å; N416-Y443 VanDerWaalsContact OD1-N 3.1Å
417E97.2Very high97.7Very high116 Ų11634.1 Ų34.154%0.54219%0.186SC..Hα-helixtrans-62-35.2-179.5-5669.1-144.300111.5S415 Q420 C421S415-E417 VanDerWaalsContact C-N 3.31Å; S415-E417 WeakPolarHBondContact CB-OE2 3.49Å; S415-E417 PolarHBondContact OG-N 3.41Å; S415-E417 PolarHBondContact OG-OE2 2.92Å; E417-Q420 PolarHBondContact O-N 3.06Å; E417-C421 WeakPolarHBondContact O-CB 3.37Å; E417-C421 PolarHBondContact O-N 3.04Å
418L96.9Very high97.5Very high13 Ų1338 Ų387%0.06821%0.21CC..Hα-helixtrans-62.6-45175.3-179.763.4000111.2L412 S415 N416 C421 L422 L473 L474L412-L418 HydrophobicContact CB-CD2 4.01Å; L412-L418 HydrophobicContact CB-CG 4.23Å; L412-L418 HydrophobicContact CD1-CD1 4.25Å; L412-L418 HydrophobicContact CD1-CD2 4.13Å; L412-L418 HydrophobicContact CD1-CG 3.79Å; S415-L418 PolarHBondContact O-N 2.93Å; S415-L418 PolarHBondContact OG-N 3.33Å; N416-L418 VanDerWaalsContact C-N 3.26Å; N416-L418 PolarHBondContact O-N 2.97Å; L418-C421 PolarHBondContact O-N 3.35Å; L418-L422 PolarHBondContact O-N 3.26Å; L418-L422 VanDerWaalsContact O-N 3.1Å; L418-L473 HydrophobicContact CD1-CD2 3.8Å; L418-L473 HydrophobicContact CD1-CG 3.93Å; L418-L474 HydrophobicContact CD1-CD2 4.25Å; L418-L474 HydrophobicContact CD2-CD2 4Å
419T98.3Very high97.3Very high0 Ų041.7 Ų41.70%023%0.23CC..Hα-helixtrans-71.8-36.4178.1-600000111.4R411 L412 N416 C421 L422 V423 Y443 I445R411-T419 HydrophobicContact CB-CG2 4.03Å; L412-T419 PolarHBondContact N-OG1 2.85Å; L412-T419 PolarHBondContact O-OG1 2.84Å; N416-T419 PolarHBondContact O-N 3.47Å; N416-T419 VanDerWaalsContact O-N 3.09Å; T419-C421 PolarHBondContact O-N 3.4Å; T419-L422 WeakPolarHBondContact O-CB 3.41Å; T419-L422 PolarHBondContact O-N 3Å; T419-V423 WeakPolarHBondContact O-CG2 3.34Å; T419-V423 PolarHBondContact O-N 3.24Å; T419-Y443 HydrophobicContact CG2-CD1 3.82Å; T419-Y443 HydrophobicContact CG2-CE1 4.14Å; T419-I445 HydrophobicContact CG2-CD1 4.18Å; T419-I445 HydrophobicContact CG2-CG1 3.8Å
420Q98.2Very high97.1Very high75 Ų7545.6 Ų45.635%0.3524%0.244SC..Hα-helixtrans-58.5-46.3172.3-74.1169.40.100111.8N416 E417 L422 V423 H424 Y443N416-Q420 WeakPolarHBondContact O-CG 3.29Å; N416-Q420 PolarHBondContact O-N 2.9Å; E417-Q420 PolarHBondContact O-N 3.06Å; Q420-L422 VanDerWaalsContact C-N 3.34Å; Q420-L422 PolarHBondContact O-N 3.38Å; Q420-V423 PolarHBondContact O-N 3.27Å; Q420-H424 PolarHBondContact O-N 3.47Å; Q420-Y443 HydrophobicContact CB-CE1 4.15Å; Q420-Y443 HydrophobicContact CG-CD1 3.76Å; Q420-Y443 HydrophobicContact CG-CD2 3.84Å; Q420-Y443 HydrophobicContact CG-CE1 3.48Å; Q420-Y443 VanDerWaalsContact CG-CE1 3.48Å; Q420-Y443 HydrophobicContact CG-CE2 3.54Å; Q420-Y443 HydrophobicContact CG-CG 3.92Å
421C97.5Very high96.9Very high30 Ų3048.2 Ų48.220%0.20326%0.256CS..Hα-helixtrans-62.7-41.2177.1-170.50000111.5E417 L418 T419 V423 H424 L425 L473E417-C421 WeakPolarHBondContact O-CB 3.37Å; E417-C421 PolarHBondContact O-N 3.04Å; L418-C421 PolarHBondContact O-N 3.35Å; T419-C421 PolarHBondContact O-N 3.4Å; C421-V423 PolarHBondContact O-N 3.49Å; C421-H424 PolarHBondContact O-N 2.99Å; C421-L425 WeakPolarHBondContact O-CG 3.36Å; C421-L425 PolarHBondContact O-N 3.38Å; C421-L473 HydrophobicContact CB-CD1 4.27Å; C421-L473 HydrophobicContact CB-CD2 4.17Å; C421-L473 VanDerWaalsContact SG-CD1 3.56Å
422L98.2Very high96.9Very high0 Ų047.3 Ų47.30%025%0.253CS..Hα-helixtrans-59-48174.2178.159.1000111.9Y397 L412 L418 T419 Q420 H424 L425 I426 I445 T469 L473Y397-L422 HydrophobicContact CE1-CD2 4.24Å; L412-L422 HydrophobicContact CD1-CB 4.15Å; L412-L422 HydrophobicContact CD1-CD2 3.66Å; L412-L422 HydrophobicContact CD1-CG 4.43Å; L412-L422 HydrophobicContact CG-CD2 3.77Å; L418-L422 PolarHBondContact O-N 3.26Å; L418-L422 VanDerWaalsContact O-N 3.1Å; T419-L422 WeakPolarHBondContact O-CB 3.41Å; T419-L422 PolarHBondContact O-N 3Å; Q420-L422 VanDerWaalsContact C-N 3.34Å; Q420-L422 PolarHBondContact O-N 3.38Å; L422-H424 VanDerWaalsContact C-N 3.33Å; L422-H424 PolarHBondContact O-N 2.88Å; L422-L425 PolarHBondContact O-N 3.48Å; L422-I426 HydrophobicContact CD1-CD1 3.65Å; L422-I426 HydrophobicContact CD1-CG1 3.98Å; L422-I426 HydrophobicContact CD2-CD1 4.43Å; L422-I426 HydrophobicContact CG-CD1 3.72Å; L422-I426 HydrophobicContact CG-CG1 4.43Å; L422-I426 WeakPolarHBondContact O-CB 3.5Å; L422-I426 VanDerWaalsContact O-CG1 3.28Å; L422-I426 WeakPolarHBondContact O-CG1 3.46Å; L422-I426 PolarHBondContact O-N 3.44Å; L422-I445 HydrophobicContact CD2-CD1 3.73Å; L422-I445 HydrophobicContact CG-CD1 4.2Å; L422-T469 HydrophobicContact CD1-CG2 3.82Å; L422-L473 HydrophobicContact CB-CD2 3.86Å
423V98.3Very high96.9Very high8 Ų848.1 Ų48.15%0.04826%0.257CS..Hα-helixtrans-59-45.7177.6172.30000111.3T419 Q420 C421 I426 N427 I434 P436 Y443 I445T419-V423 WeakPolarHBondContact O-CG2 3.34Å; T419-V423 PolarHBondContact O-N 3.24Å; Q420-V423 PolarHBondContact O-N 3.27Å; C421-V423 PolarHBondContact O-N 3.49Å; V423-I426 PolarHBondContact O-N 3.13Å; V423-N427 PolarHBondContact O-N 3.45Å; V423-N427 VanDerWaalsContact O-N 3.09Å; V423-I434 HydrophobicContact CG2-CD1 4.25Å; V423-P436 HydrophobicContact CG1-CG 4.4Å; V423-P436 HydrophobicContact CG2-CB 4.4Å; V423-Y443 HydrophobicContact CG2-CE1 4.2Å; V423-I445 HydrophobicContact CG2-CD1 4.16Å; V423-I445 HydrophobicContact CG2-CG1 3.59Å
424H97.5Very high97Very high111 Ų11143.4 Ų43.451%0.51424%0.236SC..Hα-helixtrans-58.5-51.3177.6177.772.6000111.3Q420 C421 L422 I426 N427 T428Q420-H424 PolarHBondContact O-N 3.47Å; C421-H424 PolarHBondContact O-N 2.99Å; L422-H424 VanDerWaalsContact C-N 3.33Å; L422-H424 PolarHBondContact O-N 2.88Å; H424-I426 PolarHBondContact O-N 3.4Å; H424-N427 PolarHBondContact O-N 3.26Å; H424-T428 WeakPolarHBondContact O-CB 3.37Å; H424-T428 PolarHBondContact O-N 3.14Å; H424-T428 PolarHBondContact O-OG1 2.64Å
425L97.5Very high97.1Very high54 Ų5441.4 Ų41.428%0.28321%0.213SC..Hα-helixtrans-62.1-40.6-179.4-69.9173.3000112.8C421 L422 N429 T469 L473C421-L425 WeakPolarHBondContact O-CG 3.36Å; C421-L425 PolarHBondContact O-N 3.38Å; L422-L425 PolarHBondContact O-N 3.48Å; L425-N429 WeakPolarHBondContact O-CB 3.48Å; L425-N429 PolarHBondContact O-N 3.38Å; L425-N429 VanDerWaalsContact O-N 3.17Å; L425-T469 HydrophobicContact CB-CG2 3.6Å; L425-T469 HydrophobicContact CD1-CG2 4.41Å; L425-L473 HydrophobicContact CD1-CB 4.27Å; L425-L473 HydrophobicContact CD1-CD1 4.13Å
426I97.6Very high97.2Very high0 Ų041.2 Ų41.20%021%0.21CC..Hα-helixtrans-61.1-52.5177.7-72.7169000110.5L422 V423 H424 T428 N429 R430 I432 I434 I466 T469L422-I426 HydrophobicContact CD1-CD1 3.65Å; L422-I426 HydrophobicContact CD1-CG1 3.98Å; L422-I426 HydrophobicContact CD2-CD1 4.43Å; L422-I426 HydrophobicContact CG-CD1 3.72Å; L422-I426 HydrophobicContact CG-CG1 4.43Å; L422-I426 WeakPolarHBondContact O-CB 3.5Å; L422-I426 VanDerWaalsContact O-CG1 3.28Å; L422-I426 WeakPolarHBondContact O-CG1 3.46Å; L422-I426 PolarHBondContact O-N 3.44Å; V423-I426 PolarHBondContact O-N 3.13Å; H424-I426 PolarHBondContact O-N 3.4Å; I426-T428 PolarHBondContact O-N 3.33Å; I426-N429 PolarHBondContact O-N 2.9Å; I426-R430 PolarHBondContact O-N 2.85Å; I426-I432 HydrophobicContact CG2-CD1 3.68Å; I426-I432 HydrophobicContact CG2-CG1 3.35Å; I426-I434 HydrophobicContact CB-CD1 4.05Å; I426-I434 HydrophobicContact CB-CG1 4.42Å; I426-I434 HydrophobicContact CD1-CD1 3.58Å; I426-I434 HydrophobicContact CG1-CD1 4.42Å; I426-I434 HydrophobicContact CG2-CD1 3.77Å; I426-I434 HydrophobicContact CG2-CG1 3.8Å; I426-I466 HydrophobicContact CD1-CB 4.45Å; I426-I466 HydrophobicContact CD1-CG1 3.95Å; I426-I466 HydrophobicContact CD1-CG2 4.48Å; I426-T469 HydrophobicContact CG1-CG2 3.96Å
427N97.1Very high97.2Very high34 Ų3440.6 Ų40.618%0.18221%0.208CC..Hα-helixtrans-68.3-35.7-177.3-76.7-29.7000112.3L30 V423 H424 N429 R430 H433 I434L30-N427 HydrophobicContact CD1-CB 4.24Å; V423-N427 PolarHBondContact O-N 3.45Å; V423-N427 VanDerWaalsContact O-N 3.09Å; H424-N427 PolarHBondContact O-N 3.26Å; N427-N429 PolarHBondContact O-N 2.91Å; N427-R430 WeakPolarHBondContact O-CG 3.49Å; N427-R430 PolarHBondContact O-N 3.3Å; N427-R430 VanDerWaalsContact O-N 3.14Å; N427-H433 PolarHBondContact OD1-ND1 3.49Å; N427-I434 PolarHBondContact ND2-O 3.41Å; N427-I434 PolarHBondContact OD1-N 3.23Å; N427-I434 VanDerWaalsContact OD1-N 3.09Å; N427-I434 PolarHBondContact OD1-O 2.96Å
428T95.5Very high97.2Very high86 Ų8640.1 Ų40.153%0.52821%0.208SC..Hα-helixtrans-62.4-32174.7-63.50000112.2H424 I426 R430H424-T428 WeakPolarHBondContact O-CB 3.37Å; H424-T428 PolarHBondContact O-N 3.14Å; H424-T428 PolarHBondContact O-OG1 2.64Å; I426-T428 PolarHBondContact O-N 3.33Å; T428-R430 VanDerWaalsContact C-N 3.32Å
429N93.4Very high97.1Very high79 Ų7939.8 Ų39.842%0.42221%0.206SC..Hα-helixtrans-76.9-19.9178.1-15629.7000112.7L425 I426 N427 E431L425-N429 WeakPolarHBondContact O-CB 3.48Å; L425-N429 PolarHBondContact O-N 3.38Å; L425-N429 VanDerWaalsContact O-N 3.17Å; I426-N429 PolarHBondContact O-N 2.9Å; N427-N429 PolarHBondContact O-N 2.91Å; N429-E431 PolarHBondContact ND2-OE1 3.05Å; N429-E431 PolarHBondContact O-N 2.94Å
430R95Very high96.8Very high86 Ų8646.7 Ų46.733%0.32523%0.232SC..THydrogen-bonded Turntrans58.214.5174.1-51.5170.5-61.8-161.73.4116.2V29 L30 N32 I426 N427 T428V29-R430 WeakPolarHBondContact CG1-O 3.44Å; L30-R430 HydrophobicContact CB-CB 4.27Å; L30-R430 HydrophobicContact CB-CG 4.04Å; N32-R430 PolarHBondContact ND2-NH1 3.11Å; N32-R430 PolarHBondContact OD1-NH1 3.02Å; I426-R430 PolarHBondContact O-N 2.85Å; N427-R430 WeakPolarHBondContact O-CG 3.49Å; N427-R430 PolarHBondContact O-N 3.3Å; N427-R430 VanDerWaalsContact O-N 3.14Å; T428-R430 VanDerWaalsContact C-N 3.32Å
431E95.2Very high96.7Very high55 Ų5549.4 Ų49.426%0.25725%0.249SC..SBendtrans-72.5-35.3172.6-66.1-171.3-121.800111.3Q75 N429 Y461 V465Q75-E431 WeakPolarHBondContact CB-O 3.45Å; N429-E431 PolarHBondContact ND2-OE1 3.05Å; N429-E431 PolarHBondContact O-N 2.94Å; E431-Y461 PolarHBondContact OE2-OH 3.37Å; E431-V465 HydrophobicContact CB-CG1 4.13Å; E431-V465 HydrophobicContact CB-CG2 4.11Å
432I97.9Very high96.6Very high0 Ų050.5 Ų50.50%025%0.253CS..SBendtrans-137.7160.4175.474.9174.8000108.9Q75 I426 I434 Y461 S462 V465 I466Q75-I432 HydrophobicContact CB-CB 4.25Å; Q75-I432 HydrophobicContact CB-CG2 3.99Å; Q75-I432 HydrophobicContact CG-CG2 4.41Å; Q75-I432 WeakPolarHBondContact O-CA 3.23Å; I426-I432 HydrophobicContact CG2-CD1 3.68Å; I426-I432 HydrophobicContact CG2-CG1 3.35Å; I432-I434 HydrophobicContact CD1-CG2 4.31Å; I432-Y461 HydrophobicContact CG2-CE1 4.32Å; I432-S462 WeakPolarHBondContact CG2-OG 3.45Å; I432-V465 HydrophobicContact CD1-CB 4.43Å; I432-V465 HydrophobicContact CD1-CG1 4.23Å; I432-V465 HydrophobicContact CG1-CG1 4.2Å; I432-V465 HydrophobicContact CG2-CB 4.18Å; I432-V465 HydrophobicContact CG2-CG1 4.23Å; I432-V465 HydrophobicContact CG2-CG2 4.17Å; I432-I466 HydrophobicContact CD1-CD1 4.01Å; I432-I466 HydrophobicContact CD1-CG1 3.69Å
433H98.3Very high96.6Very high18 Ų1852.2 Ų52.28%0.08326%0.26CS..BIsolated β-bridgetrans-122.4123.3173.6-174.233.3000111.5V29 L30 Q75 F76 H77 A78 N427V29-H433 HydrophobicContact CG1-CB 3.99Å; V29-H433 HydrophobicContact CG2-CB 3.85Å; L30-H433 HydrophobicContact CD1-CB 4.3Å; L30-H433 HydrophobicContact CD2-CB 4.47Å; L30-H433 HydrophobicContact CG-CB 4.09Å; Q75-H433 PolarHBondContact O-N 2.94Å; F76-H433 HydrophobicContact CD2-CB 4.43Å; F76-H433 AromaticContact CD2-CD2 3.94Å; F76-H433 AromaticContact CE2-CD2 3.64Å; H77-H433 CarbonylContact C-O 3.3Å; H77-H433 VanDerWaalsContact C-O 3.3Å; H77-H433 VanDerWaalsContact CA-O 3.28Å; H77-H433 WeakPolarHBondContact CA-O 3.44Å; H77-H433 WeakPolarHBondContact CB-O 3.2Å; H77-H433 PolarHBondContact N-O 3.06Å; A78-H433 WeakPolarHBondContact CB-CD2 3.47Å; A78-H433 WeakPolarHBondContact CB-NE2 3.3Å; A78-H433 PolarHBondContact N-O 3.15Å; N427-H433 PolarHBondContact OD1-ND1 3.49Å
434I98.3Very high96.6Very high0 Ų051.9 Ų51.90%026%0.257CS..  trans-129.6158.9176.554167.9000109.9H77 V423 I426 N427 I432 I445 F447H77-I434 HydrophobicContact CB-CG2 4.06Å; V423-I434 HydrophobicContact CG2-CD1 4.25Å; I426-I434 HydrophobicContact CB-CD1 4.05Å; I426-I434 HydrophobicContact CB-CG1 4.42Å; I426-I434 HydrophobicContact CD1-CD1 3.58Å; I426-I434 HydrophobicContact CG1-CD1 4.42Å; I426-I434 HydrophobicContact CG2-CD1 3.77Å; I426-I434 HydrophobicContact CG2-CG1 3.8Å; N427-I434 PolarHBondContact ND2-O 3.41Å; N427-I434 PolarHBondContact OD1-N 3.23Å; N427-I434 VanDerWaalsContact OD1-N 3.09Å; N427-I434 PolarHBondContact OD1-O 2.96Å; I432-I434 HydrophobicContact CD1-CG2 4.31Å; I434-I445 HydrophobicContact CB-CG2 4.22Å; I434-I445 HydrophobicContact CD1-CD1 4.36Å; I434-I445 HydrophobicContact CD1-CG1 4.47Å; I434-I445 HydrophobicContact CD1-CG2 3.63Å; I434-I445 HydrophobicContact CG1-CG2 4.48Å; I434-I445 HydrophobicContact CG2-CG2 4.44Å; I434-F447 HydrophobicContact CG2-CD2 4.25Å
435V97.9Very high96.7Very high16 Ų1646.6 Ų46.610%0.09723%0.233CC..EExtended strand (participates in β ladder)trans-126.5148.2172-65.50000110.2A78 Y79 R446A78-V435 HydrophobicContact CB-CG1 3.7Å; A78-V435 HydrophobicContact CB-CG2 4.37Å; Y79-V435 HydrophobicContact CD1-CG1 4.42Å; Y79-V435 HydrophobicContact CD1-CG2 4.33Å; Y79-V435 HydrophobicContact CE1-CG1 4.05Å; Y79-V435 HydrophobicContact CE2-CG1 4.38Å; Y79-V435 VanDerWaalsContact N-CG2 3.34Å; V435-R446 HydrophobicContact CG2-CB 4.43Å; V435-R446 VanDerWaalsContact O-CB 3.3Å; V435-R446 WeakPolarHBondContact O-CB 3.49Å; V435-R446 PolarHBondContact O-N 3.5Å
436P98.1Very high96.7Very high49 Ų4944.3 Ų44.332%0.31822%0.221SC..EExtended strand (participates in β ladder)trans-83.4172.5174.737-36.1000111.5V423 Y443 F444V423-P436 HydrophobicContact CG1-CG 4.4Å; V423-P436 HydrophobicContact CG2-CB 4.4Å; P436-Y443 HydrophobicContact CB-CD1 4.46Å; P436-Y443 HydrophobicContact CB-CE1 3.55Å; P436-Y443 HydrophobicContact CB-CE2 3.73Å; P436-Y443 WeakPolarHBondContact CB-OH 3.37Å; P436-Y443 HydrophobicContact CG-CE2 4.15Å; P436-Y443 WeakPolarHBondContact CG-OH 3.49Å; P436-F444 CarbonylContact C-O 3.49Å; P436-F444 WeakPolarHBondContact CA-O 3.37Å
437S97.7Very high96.8Very high22 Ų2244.3 Ų44.315%0.15422%0.221CC..EExtended strand (participates in β ladder)trans-149.4171.1158.11770000109.6S250 F444S250-S437 WeakPolarHBondContact CA-OG 3.34Å; S250-S437 WeakPolarHBondContact CB-OG 3.49Å; S250-S437 PolarHBondContact OG-OG 3.41Å; S437-F444 PolarHBondContact N-O 2.98Å; S437-F444 PolarHBondContact O-N 3.28Å
438M96.3Very high96.8Very high107 Ų10742.7 Ų42.753%0.52721%0.212SC..EExtended strand (participates in β ladder)trans-131.8138.4175-169.4170.67300110.3I442M438-I442 VanDerWaalsContact CA-O 3.28Å; M438-I442 WeakPolarHBondContact CA-O 3.24Å
439A94.8Very high97Very high5 Ų538.6 Ų38.64%0.04119%0.187CC..EExtended strand (participates in β ladder)trans-151137.3171.900000109L193 F218 D441 I442 F444L193-A439 HydrophobicContact CD1-CB 4.27Å; L193-A439 HydrophobicContact CD2-CB 3.85Å; F218-A439 HydrophobicContact CD1-CB 3.81Å; F218-A439 HydrophobicContact CE1-CB 3.58Å; F218-A439 HydrophobicContact CZ-CB 4.46Å; A439-D441 PolarHBondContact O-N 3.47Å; A439-I442 PolarHBondContact N-O 3.33Å; A439-I442 VanDerWaalsContact N-O 3.12Å; A439-I442 WeakPolarHBondContact O-CB 3.41Å; A439-I442 PolarHBondContact O-N 3.44Å; A439-F444 HydrophobicContact CB-CE1 3.92Å; A439-F444 HydrophobicContact CB-CZ 4.42Å
440R93.6Very high97.2Very high145 Ų14535.2 Ų35.255%0.54717%0.168SC..THydrogen-bonded Turntrans48.146.1-176.6-58.2-179.567-157.43.6112.3V214 F218 I442V214-R440 HydrophobicContact CG2-CG 4.4Å; F218-R440 HydrophobicContact CD1-CG 4.13Å; F218-R440 HydrophobicContact CE1-CB 4.23Å; F218-R440 HydrophobicContact CE1-CG 3.8Å; R440-I442 PolarHBondContact O-N 3.47Å
441D94.2Very high97.3Very high132 Ų13232.5 Ų32.571%0.70616%0.16SC*.THydrogen-bonded Turntrans60.113.6-178.7-51.1-46.5000115.8N416 A439N416-D441 PolarHBondContact ND2-O 3.25Å; A439-D441 PolarHBondContact O-N 3.47Å
442I96.4Very high97.3Very high54 Ų5432.2 Ų32.228%0.27716%0.158SC..EExtended strand (participates in β ladder)trans-100.2117.9175.6-64.9162.4000108.7V400 M438 A439 R440 F444V400-I442 HydrophobicContact CG1-CG2 4.09Å; V400-I442 HydrophobicContact CG2-CG2 3.99Å; M438-I442 VanDerWaalsContact CA-O 3.28Å; M438-I442 WeakPolarHBondContact CA-O 3.24Å; A439-I442 PolarHBondContact N-O 3.33Å; A439-I442 VanDerWaalsContact N-O 3.12Å; A439-I442 WeakPolarHBondContact O-CB 3.41Å; A439-I442 PolarHBondContact O-N 3.44Å; R440-I442 PolarHBondContact O-N 3.47Å; I442-F444 HydrophobicContact CG2-CD1 4.23Å; I442-F444 VanDerWaalsContact O-CD1 3.29Å; I442-F444 WeakPolarHBondContact O-CD1 3.23Å
443Y98.3Very high97.2Very high36 Ų3639.6 Ų39.614%0.14119%0.19CC..EExtended strand (participates in β ladder)trans-87.9128172.1-172.6-81.1000110.1N416 T419 Q420 V423 P436N416-Y443 PolarHBondContact OD1-N 3.43Å; N416-Y443 VanDerWaalsContact OD1-N 3.1Å; T419-Y443 HydrophobicContact CG2-CD1 3.82Å; T419-Y443 HydrophobicContact CG2-CE1 4.14Å; Q420-Y443 HydrophobicContact CB-CE1 4.15Å; Q420-Y443 HydrophobicContact CG-CD1 3.76Å; Q420-Y443 HydrophobicContact CG-CD2 3.84Å; Q420-Y443 HydrophobicContact CG-CE1 3.48Å; Q420-Y443 VanDerWaalsContact CG-CE1 3.48Å; Q420-Y443 HydrophobicContact CG-CE2 3.54Å; Q420-Y443 HydrophobicContact CG-CG 3.92Å; V423-Y443 HydrophobicContact CG2-CE1 4.2Å; P436-Y443 HydrophobicContact CB-CD1 4.46Å; P436-Y443 HydrophobicContact CB-CE1 3.55Å; P436-Y443 HydrophobicContact CB-CE2 3.73Å; P436-Y443 WeakPolarHBondContact CB-OH 3.37Å; P436-Y443 HydrophobicContact CG-CE2 4.15Å; P436-Y443 WeakPolarHBondContact CG-OH 3.49Å
444F98.5Very high97.2Very high0 Ų039.5 Ų39.50%019%0.193CC..EExtended strand (participates in β ladder)trans-142.7159.4-175.358-94.7000112.9S250 C251 V400 C409 R411 P436 S437 A439 I442 R446S250-F444 WeakPolarHBondContact O-CE2 3.47Å; C251-F444 HydrophobicContact CB-CE2 4.26Å; C251-F444 HydrophobicContact CB-CZ 3.96Å; V400-F444 HydrophobicContact CB-CB 4.19Å; V400-F444 HydrophobicContact CB-CD1 4.33Å; V400-F444 HydrophobicContact CB-CG 4.22Å; V400-F444 HydrophobicContact CG1-CB 4.49Å; V400-F444 HydrophobicContact CG1-CD1 3.76Å; V400-F444 HydrophobicContact CG1-CE1 4.14Å; V400-F444 HydrophobicContact CG1-CG 4.14Å; V400-F444 HydrophobicContact CG2-CB 3.87Å; V400-F444 HydrophobicContact CG2-CG 4.39Å; C409-F444 HydrophobicContact CB-CD2 3.69Å; C409-F444 HydrophobicContact CB-CE2 3.86Å; C409-F444 HydrophobicContact CB-CG 4.5Å; C409-F444 VanDerWaalsContact SG-CE2 3.53Å; R411-F444 HydrophobicContact CB-CB 4.25Å; P436-F444 CarbonylContact C-O 3.49Å; P436-F444 WeakPolarHBondContact CA-O 3.37Å; S437-F444 PolarHBondContact N-O 2.98Å; S437-F444 PolarHBondContact O-N 3.28Å; A439-F444 HydrophobicContact CB-CE1 3.92Å; A439-F444 HydrophobicContact CB-CZ 4.42Å; I442-F444 HydrophobicContact CG2-CD1 4.23Å; I442-F444 VanDerWaalsContact O-CD1 3.29Å; I442-F444 WeakPolarHBondContact O-CD1 3.23Å; F444-R446 HydrophobicContact CD2-CG 4.28Å; F444-R446 HydrophobicContact CE2-CG 4.01Å
445I98.7Very high97.1Very high0 Ų041.7 Ų41.70%021%0.208CC..EExtended strand (participates in β ladder)trans-84.3137.4174.8-59.2173.2000108.9C409 F410 T419 L422 V423 I434C409-I445 VanDerWaalsContact CA-O 3.32Å; C409-I445 WeakPolarHBondContact CA-O 3.44Å; F410-I445 HydrophobicContact CD1-CB 4.12Å; F410-I445 HydrophobicContact CD1-CG2 4.27Å; F410-I445 HydrophobicContact CE1-CB 3.74Å; F410-I445 HydrophobicContact CE1-CG2 3.47Å; F410-I445 VanDerWaalsContact CE1-CG2 3.47Å; F410-I445 HydrophobicContact CE2-CB 4.44Å; F410-I445 HydrophobicContact CE2-CD1 3.93Å; F410-I445 HydrophobicContact CZ-CB 3.91Å; F410-I445 HydrophobicContact CZ-CD1 3.9Å; F410-I445 HydrophobicContact CZ-CG1 4.49Å; F410-I445 HydrophobicContact CZ-CG2 3.69Å; F410-I445 PolarHBondContact N-O 2.94Å; F410-I445 VanDerWaalsContact N-O 3.07Å; F410-I445 WeakPolarHBondContact O-CA 3.28Å; F410-I445 WeakPolarHBondContact O-CB 3.49Å; F410-I445 PolarHBondContact O-N 3.17Å; T419-I445 HydrophobicContact CG2-CD1 4.18Å; T419-I445 HydrophobicContact CG2-CG1 3.8Å; L422-I445 HydrophobicContact CD2-CD1 3.73Å; L422-I445 HydrophobicContact CG-CD1 4.2Å; V423-I445 HydrophobicContact CG2-CD1 4.16Å; V423-I445 HydrophobicContact CG2-CG1 3.59Å; I434-I445 HydrophobicContact CB-CG2 4.22Å; I434-I445 HydrophobicContact CD1-CD1 4.36Å; I434-I445 HydrophobicContact CD1-CG1 4.47Å; I434-I445 HydrophobicContact CD1-CG2 3.63Å; I434-I445 HydrophobicContact CG1-CG2 4.48Å; I434-I445 HydrophobicContact CG2-CG2 4.44Å
446R98.6Very high97.2Very high7 Ų744.6 Ų44.63%0.02622%0.222CC..EExtended strand (participates in β ladder)trans-101.9126.6168-64174.170.1-94-0.2109.4Y79 T249 S250 L407 V435 F444Y79-R446 VanDerWaalsContact O-CZ 3.26Å; Y79-R446 PolarHBondContact O-NH1 3.24Å; Y79-R446 PolarHBondContact O-NH2 3.13Å; T249-R446 PolarHBondContact O-NE 2.65Å; T249-R446 PolarHBondContact O-NH2 3.28Å; S250-R446 WeakPolarHBondContact O-CD 3.32Å; S250-R446 WeakPolarHBondContact O-CG 3.23Å; S250-R446 PolarHBondContact O-NE 3.27Å; L407-R446 HydrophobicContact CD1-CB 3.9Å; L407-R446 HydrophobicContact CD1-CG 4.44Å; V435-R446 HydrophobicContact CG2-CB 4.43Å; V435-R446 VanDerWaalsContact O-CB 3.3Å; V435-R446 WeakPolarHBondContact O-CB 3.49Å; V435-R446 PolarHBondContact O-N 3.5Å; F444-R446 HydrophobicContact CD2-CG 4.28Å; F444-R446 HydrophobicContact CE2-CG 4.01Å
447F98.6Very high97.2Very high0 Ų048.4 Ų48.40%024%0.235CC..EExtended strand (participates in β ladder)trans-120.5102.6173.1-169.1-84.9000109.4H77 F387 V408 F410 I434 I449 I459 I466H77-F447 HydrophobicContact CB-CD2 3.88Å; H77-F447 HydrophobicContact CB-CE2 3.96Å; H77-F447 HydrophobicContact CB-CG 4.26Å; H77-F447 HydrophobicContact CB-CZ 4.4Å; H77-F447 AromaticContact CD2-CE2 3.31Å; H77-F447 WeakPolarHBondContact CD2-CE2 3.37Å; H77-F447 AromaticContact CD2-CZ 3.47Å; H77-F447 VanDerWaalsContact CD2-CZ 3.47Å; H77-F447 WeakPolarHBondContact CD2-CZ 3.45Å; H77-F447 AromaticContact CE1-CE1 3.8Å; H77-F447 AromaticContact CE1-CZ 3.37Å; H77-F447 WeakPolarHBondContact CE1-CZ 3.42Å; H77-F447 AromaticContact CG-CD2 3.85Å; H77-F447 AromaticContact CG-CE2 3.42Å; H77-F447 VanDerWaalsContact CG-CE2 3.42Å; H77-F447 AromaticContact CG-CZ 3.51Å; H77-F447 AromaticContact ND1-CE1 3.63Å; H77-F447 AromaticContact ND1-CE2 3.87Å; H77-F447 AromaticContact ND1-CZ 3.45Å; H77-F447 WeakPolarHBondContact ND1-CZ 3.4Å; H77-F447 AromaticContact NE2-CE2 3.73Å; H77-F447 AromaticContact NE2-CZ 3.38Å; H77-F447 WeakPolarHBondContact NE2-CZ 3.24Å; F387-F447 HydrophobicContact CD1-CB 4.36Å; F387-F447 AromaticContact CD1-CD1 3.86Å; F387-F447 HydrophobicContact CD1-CD1 3.86Å; F387-F447 HydrophobicContact CD1-CE1 4.42Å; F387-F447 HydrophobicContact CD1-CG 4.17Å; F387-F447 HydrophobicContact CD2-CD1 4.12Å; F387-F447 AromaticContact CD2-CE1 3.9Å; F387-F447 HydrophobicContact CD2-CE1 3.9Å; F387-F447 HydrophobicContact CD2-CZ 4.15Å; F387-F447 HydrophobicContact CE1-CB 3.71Å; F387-F447 AromaticContact CE1-CD1 3.87Å; F387-F447 HydrophobicContact CE1-CD1 3.87Å; F387-F447 HydrophobicContact CE1-CD2 4.25Å; F387-F447 AromaticContact CE1-CG 3.68Å; F387-F447 HydrophobicContact CE1-CG 3.68Å; F387-F447 HydrophobicContact CE2-CD1 4.1Å; F387-F447 HydrophobicContact CE2-CD2 4Å; F387-F447 HydrophobicContact CE2-CE1 4.04Å; F387-F447 AromaticContact CE2-CE2 3.94Å; F387-F447 HydrophobicContact CE2-CE2 3.94Å; F387-F447 HydrophobicContact CE2-CG 4.08Å; F387-F447 AromaticContact CE2-CZ 3.96Å; F387-F447 HydrophobicContact CE2-CZ 3.96Å; F387-F447 AromaticContact CG-CD1 3.99Å; F387-F447 HydrophobicContact CG-CD1 3.99Å; F387-F447 HydrophobicContact CG-CE1 4.09Å; F387-F447 HydrophobicContact CZ-CB 4.01Å; F387-F447 AromaticContact CZ-CD1 3.98Å; F387-F447 HydrophobicContact CZ-CD1 3.98Å; F387-F447 AromaticContact CZ-CD2 3.71Å; F387-F447 HydrophobicContact CZ-CD2 3.71Å; F387-F447 HydrophobicContact CZ-CE1 4.38Å; F387-F447 HydrophobicContact CZ-CE2 4.14Å; F387-F447 AromaticContact CZ-CG 3.62Å; F387-F447 HydrophobicContact CZ-CG 3.62Å; F387-F447 HydrophobicContact CZ-CZ 4.46Å; V408-F447 PolarHBondContact N-O 3.5Å; V408-F447 PolarHBondContact O-N 3.1Å; F410-F447 HydrophobicContact CE1-CB 4Å; I434-F447 HydrophobicContact CG2-CD2 4.25Å; F447-I449 HydrophobicContact CD1-CD1 3.92Å; F447-I449 HydrophobicContact CE1-CD1 3.58Å; F447-I459 HydrophobicContact CE1-CD1 4.05Å; F447-I459 HydrophobicContact CZ-CD1 4.35Å; F447-I466 HydrophobicContact CD2-CD1 4.13Å; F447-I466 HydrophobicContact CE2-CD1 4.15Å
448S98.4Very high97.2Very high0 Ų048.6 Ų48.60%024%0.235CC..EExtended strand (participates in β ladder)trans-99.9131.8-178.6-174.80000110.9H77 G406 N450H77-S448 WeakPolarHBondContact CA-O 3.35Å; H77-S448 PolarHBondContact ND1-O 3.49Å; H77-S448 PolarHBondContact O-N 3.28Å; H77-S448 VanDerWaalsContact O-N 3.09Å; G406-S448 WeakPolarHBondContact O-CA 3.45Å; S448-N450 VanDerWaalsContact CB-OD1 3.25Å; S448-N450 WeakPolarHBondContact CB-OD1 3.43Å; S448-N450 PolarHBondContact O-N 3.41Å; S448-N450 PolarHBondContact OG-OD1 3.09Å
449I98.5Very high97.3Very high0 Ų043.5 Ų43.50%021%0.21CC..  trans-78.7103173.9-49.1-51.6000108.7H380 L383 A384 G406 F447 A454 I459H380-I449 HydrophobicContact CB-CB 4.29Å; H380-I449 HydrophobicContact CB-CG2 4.07Å; H380-I449 PolarHBondContact ND1-O 2.82Å; L383-I449 HydrophobicContact CB-CD1 4.39Å; L383-I449 HydrophobicContact CB-CG1 4.28Å; L383-I449 HydrophobicContact CB-CG2 4.19Å; L383-I449 HydrophobicContact CD1-CG2 4.02Å; A384-I449 HydrophobicContact CB-CG1 3.95Å; G406-I449 PolarHBondContact O-N 2.9Å; F447-I449 HydrophobicContact CD1-CD1 3.92Å; F447-I449 HydrophobicContact CE1-CD1 3.58Å; I449-A454 HydrophobicContact CG2-CB 3.9Å; I449-I459 HydrophobicContact CD1-CD1 3.62Å
450N97.8Very high97.5Very high7 Ų745.7 Ų45.74%0.03722%0.221CC..  trans-110-44.1-167.2-65.9-24.1000115.5F76 A78 P81 S448 E452F76-N450 HydrophobicContact CD1-CB 4.2Å; F76-N450 WeakPolarHBondContact CD1-ND2 3.4Å; F76-N450 WeakPolarHBondContact CE1-ND2 3.46Å; F76-N450 VanDerWaalsContact O-CB 3.26Å; F76-N450 WeakPolarHBondContact O-CB 3Å; F76-N450 PolarHBondContact O-ND2 3.04Å; A78-N450 PolarHBondContact O-ND2 2.86Å; P81-N450 WeakPolarHBondContact CA-OD1 3.15Å; P81-N450 HydrophobicContact CB-CB 3.91Å; P81-N450 WeakPolarHBondContact CB-OD1 3.3Å; P81-N450 WeakPolarHBondContact CD-OD1 3.49Å; P81-N450 HydrophobicContact CG-CB 4.32Å; P81-N450 WeakPolarHBondContact CG-OD1 3.43Å; S448-N450 VanDerWaalsContact CB-OD1 3.25Å; S448-N450 WeakPolarHBondContact CB-OD1 3.43Å; S448-N450 PolarHBondContact O-N 3.41Å; S448-N450 PolarHBondContact OG-OD1 3.09Å; N450-E452 PolarHBondContact O-N 3.06Å
451H97Very high97.7Very high30 Ų3043.5 Ų43.514%0.13921%0.213CC..  trans-62.7134.1-172.4-17861.7000111.8Q72 H380 K453 A454Q72-H451 PolarHBondContact O-CE1 3.14Å; Q72-H451 VanDerWaalsContact O-CE1 3.31Å; Q72-H451 PolarHBondContact O-ND1 3.49Å; H380-H451 PolarHBondContact CE1-O 3.32Å; H380-H451 PolarHBondContact NE2-O 3.49Å; H451-K453 PolarHBondContact O-N 2.66Å; H451-K453 VanDerWaalsContact O-N 3.1Å; H451-A454 HydrophobicContact CB-CB 4.22Å; H451-A454 PolarHBondContact CD2-N 2.89Å; H451-A454 WeakPolarHBondContact O-CB 3.46Å; H451-A454 PolarHBondContact O-N 3.37Å
452E95.5Very high97.9Very high48 Ų4837.2 Ų37.222%0.22418%0.179CC..THydrogen-bonded Turntrans-51.6-37.8-176.9172.7-177.7-172.100112.5L309 Y368 N450L309-E452 HydrophobicContact CD2-CB 4.32Å; L309-E452 HydrophobicContact CD2-CG 3.71Å; Y368-E452 PolarHBondContact OH-OE1 3.39Å; N450-E452 PolarHBondContact O-N 3.06Å
453K95.8Very high98Very high155 Ų15535.1 Ų35.167%0.67417%0.168SC*.THydrogen-bonded Turntrans-112.126.7-176.3-58-179.1-178.3176.20112.5H451 C455H451-K453 PolarHBondContact O-N 2.66Å; H451-K453 VanDerWaalsContact O-N 3.1Å; K453-C455 PolarHBondContact O-N 3.28Å
454A97.3Very high98Very high17 Ų1736 Ų3614%0.1418%0.18CC..  trans-49.8135.1-179.600000110.6L383 I449 H451 D458L383-A454 HydrophobicContact CD1-CB 3.7Å; L383-A454 VanDerWaalsContact CD1-O 3.25Å; L383-A454 WeakPolarHBondContact CD1-O 2.99Å; I449-A454 HydrophobicContact CG2-CB 3.9Å; H451-A454 HydrophobicContact CB-CB 4.22Å; H451-A454 PolarHBondContact CD2-N 2.89Å; H451-A454 WeakPolarHBondContact O-CB 3.46Å; H451-A454 PolarHBondContact O-N 3.37Å; A454-D458 WeakPolarHBondContact CA-OD2 3.47Å
455C97.9Very high98Very high46 Ų4636.2 Ų36.231%0.31118%0.181SC..  trans-129.1175.8178.466.30000111.3K453 E457 D458 I459K453-C455 PolarHBondContact O-N 3.28Å; C455-E457 WeakPolarHBondContact CB-OE2 3.04Å; C455-E457 PolarHBondContact O-N 2.86Å; C455-E457 PolarHBondContact SG-OE2 2.69Å; C455-D458 PolarHBondContact N-OD2 3.45Å; C455-D458 WeakPolarHBondContact O-CB 3.36Å; C455-D458 PolarHBondContact O-N 2.95Å; C455-D458 PolarHBondContact SG-OD2 3.15Å; C455-D458 VanDerWaalsContact SG-OD2 3.38Å; C455-I459 WeakPolarHBondContact O-CG1 3.45Å; C455-I459 PolarHBondContact O-N 2.86Å
456I98.5Very high98Very high77 Ų7736.2 Ų36.240%0.39518%0.181SC..Hα-helixtrans-61.9-37.2-177.8-73.7174.5000110.9L383 Y386 D458 I459 D460L383-I456 HydrophobicContact CD2-CG1 3.91Å; Y386-I456 HydrophobicContact CD1-CG2 4.46Å; Y386-I456 HydrophobicContact CE1-CG2 3.73Å; Y386-I456 HydrophobicContact CE2-CG2 4.4Å; I456-D458 VanDerWaalsContact C-N 3.31Å; I456-D458 PolarHBondContact O-N 3.2Å; I456-I459 WeakPolarHBondContact O-CB 3.45Å; I456-I459 PolarHBondContact O-N 2.98Å; I456-I459 VanDerWaalsContact O-N 3.13Å; I456-D460 WeakPolarHBondContact CG2-OD2 3.42Å; I456-D460 PolarHBondContact O-N 2.93Å
457E98.3Very high97.9Very high129 Ų12938.2 Ų38.260%0.60319%0.191SC*.Hα-helixtrans-61.3-38.8179.5-62.571.9-160.100111.8C455 I459 D460 Y461C455-E457 WeakPolarHBondContact CB-OE2 3.04Å; C455-E457 PolarHBondContact O-N 2.86Å; C455-E457 PolarHBondContact SG-OE2 2.69Å; E457-I459 VanDerWaalsContact C-N 3.34Å; E457-D460 PolarHBondContact O-N 3.35Å; E457-Y461 WeakPolarHBondContact O-CB 3.39Å; E457-Y461 PolarHBondContact O-N 3.1Å
458D97.8Very high97.9Very high26 Ų2643.7 Ų43.714%0.13921%0.214CC..Hα-helixtrans-62.1-44.8174.9-63.1-40.7000110.9P74 Q75 A454 C455 I456 Y461 S462P74-D458 HydrophobicContact CB-CB 4.41Å; P74-D458 WeakPolarHBondContact CB-OD1 3.42Å; Q75-D458 PolarHBondContact NE2-O 2.99Å; Q75-D458 PolarHBondContact OE1-O 3.45Å; A454-D458 WeakPolarHBondContact CA-OD2 3.47Å; C455-D458 PolarHBondContact N-OD2 3.45Å; C455-D458 WeakPolarHBondContact O-CB 3.36Å; C455-D458 PolarHBondContact O-N 2.95Å; C455-D458 PolarHBondContact SG-OD2 3.15Å; C455-D458 VanDerWaalsContact SG-OD2 3.38Å; I456-D458 VanDerWaalsContact C-N 3.31Å; I456-D458 PolarHBondContact O-N 3.2Å; D458-Y461 PolarHBondContact O-N 3.3Å; D458-S462 WeakPolarHBondContact O-CB 3.37Å; D458-S462 PolarHBondContact O-N 3.15Å
459I98.5Very high97.9Very high0 Ų044.4 Ų44.40%022%0.218CC..Hα-helixtrans-66.3-42.9179.7-52.6-51.3000111.1L383 Y386 F387 F447 I449 C455 I456 E457 S462 W463L383-I459 HydrophobicContact CB-CD1 4.49Å; L383-I459 HydrophobicContact CB-CG1 4.29Å; L383-I459 HydrophobicContact CD2-CG1 4.04Å; Y386-I459 HydrophobicContact CD1-CB 4.21Å; Y386-I459 HydrophobicContact CD1-CG2 3.88Å; Y386-I459 HydrophobicContact CE1-CB 4.36Å; Y386-I459 HydrophobicContact CE1-CG2 4.22Å; F387-I459 HydrophobicContact CB-CG2 3.85Å; F387-I459 HydrophobicContact CD2-CG2 3.64Å; F387-I459 HydrophobicContact CG-CG2 4.21Å; F447-I459 HydrophobicContact CE1-CD1 4.05Å; F447-I459 HydrophobicContact CZ-CD1 4.35Å; I449-I459 HydrophobicContact CD1-CD1 3.62Å; C455-I459 WeakPolarHBondContact O-CG1 3.45Å; C455-I459 PolarHBondContact O-N 2.86Å; I456-I459 WeakPolarHBondContact O-CB 3.45Å; I456-I459 PolarHBondContact O-N 2.98Å; I456-I459 VanDerWaalsContact O-N 3.13Å; E457-I459 VanDerWaalsContact C-N 3.34Å; I459-S462 PolarHBondContact O-N 3.04Å; I459-W463 VanDerWaalsContact O-CB 3.29Å; I459-W463 WeakPolarHBondContact O-CB 3.32Å; I459-W463 PolarHBondContact O-N 3.28Å
460D98.6Very high97.8Very high51 Ų5144.6 Ų44.627%0.27322%0.22SC..Hα-helixtrans-64.4-42.3178.1-82-31.7000111.8Y386 K390 I456 E457 S464Y386-D460 WeakPolarHBondContact CE1-OD1 3.43Å; Y386-D460 VanDerWaalsContact OH-CG 3.26Å; Y386-D460 PolarHBondContact OH-OD1 2.67Å; Y386-D460 PolarHBondContact OH-OD2 2.93Å; K390-D460 WeakPolarHBondContact CE-OD1 3.39Å; K390-D460 IonicContact NZ-OD1 2.69Å; K390-D460 PolarHBondContact NZ-OD1 3.08Å; I456-D460 WeakPolarHBondContact CG2-OD2 3.42Å; I456-D460 PolarHBondContact O-N 2.93Å; E457-D460 PolarHBondContact O-N 3.35Å; D460-S464 WeakPolarHBondContact O-CB 3.45Å; D460-S464 PolarHBondContact O-N 3.42Å
461Y98.4Very high97.8Very high98 Ų9852.4 Ų52.438%0.38425%0.249SC..Hα-helixtrans-59.4-52.6173179.5-89.9000110.7Q75 E431 I432 E457 D458 W463 S464 V465Q75-Y461 VanDerWaalsContact CD-CD1 3.45Å; Q75-Y461 HydrophobicContact CG-CD1 4.02Å; Q75-Y461 HydrophobicContact CG-CE1 4.13Å; E431-Y461 PolarHBondContact OE2-OH 3.37Å; I432-Y461 HydrophobicContact CG2-CE1 4.32Å; E457-Y461 WeakPolarHBondContact O-CB 3.39Å; E457-Y461 PolarHBondContact O-N 3.1Å; D458-Y461 PolarHBondContact O-N 3.3Å; Y461-W463 VanDerWaalsContact C-N 3.34Å; Y461-W463 PolarHBondContact O-N 3.48Å; Y461-S464 WeakPolarHBondContact O-CB 3.48Å; Y461-S464 PolarHBondContact O-N 2.75Å; Y461-S464 VanDerWaalsContact O-N 3.08Å; Y461-S464 PolarHBondContact O-OG 3.35Å; Y461-V465 HydrophobicContact CD1-CG2 4.2Å; Y461-V465 HydrophobicContact CE1-CG2 3.77Å; Y461-V465 PolarHBondContact O-N 3.07Å; Y461-V465 VanDerWaalsContact O-N 3.07Å
462S98.5Very high97.7Very high0 Ų057.1 Ų57.10%027%0.269CS..Hα-helixtrans-58-44.7-179.9-105.80000113Q75 H77 I432 D458 I459 S464 V465 I466Q75-S462 PolarHBondContact OE1-OG 3.5Å; H77-S462 PolarHBondContact CD2-OG 3.1Å; H77-S462 PolarHBondContact NE2-OG 3.31Å; I432-S462 WeakPolarHBondContact CG2-OG 3.45Å; D458-S462 WeakPolarHBondContact O-CB 3.37Å; D458-S462 PolarHBondContact O-N 3.15Å; I459-S462 PolarHBondContact O-N 3.04Å; S462-S464 VanDerWaalsContact C-N 3.34Å; S462-S464 PolarHBondContact O-N 2.73Å; S462-V465 PolarHBondContact O-N 3.32Å; S462-I466 WeakPolarHBondContact O-CG1 3.29Å; S462-I466 PolarHBondContact O-N 2.85Å; S462-I466 VanDerWaalsContact O-N 3.11Å
463W98.6Very high97.7Very high10 Ų1055.5 Ų55.54%0.03826%0.262CS..Hα-helixtrans-62.3-41.3175.6-179.1-111.4000111.7F387 K390 V391 N394 Y397 F410 I459 Y461 V465 I466 E467F387-W463 HydrophobicContact CD2-CE3 4.45Å; F387-W463 HydrophobicContact CE2-CB 4.28Å; F387-W463 HydrophobicContact CE2-CD2 4.37Å; F387-W463 AromaticContact CE2-CE3 3.61Å; F387-W463 HydrophobicContact CE2-CE3 3.61Å; F387-W463 HydrophobicContact CE2-CZ3 4.39Å; F387-W463 AromaticContact CZ-CE3 3.88Å; F387-W463 HydrophobicContact CZ-CE3 3.88Å; F387-W463 HydrophobicContact CZ-CZ3 4.23Å; K390-W463 HydrophobicContact CB-CD2 4Å; K390-W463 HydrophobicContact CB-CG 4.07Å; K390-W463 HydrophobicContact CB-CZ2 4.46Å; K390-W463 HydrophobicContact CG-CG 4.47Å; K390-W463 WeakPolarHBondContact O-CZ2 3.18Å; V391-W463 HydrophobicContact CB-CH2 4.29Å; V391-W463 HydrophobicContact CB-CZ3 4.44Å; V391-W463 HydrophobicContact CG2-CE3 4.3Å; V391-W463 HydrophobicContact CG2-CH2 3.96Å; V391-W463 HydrophobicContact CG2-CZ3 3.63Å; N394-W463 HydrophobicContact CB-CZ2 3.96Å; Y397-W463 AromaticContact CD2-CH2 3.68Å; Y397-W463 HydrophobicContact CD2-CH2 3.68Å; Y397-W463 HydrophobicContact CD2-CZ2 4.34Å; Y397-W463 AromaticContact CE2-CH2 3.5Å; Y397-W463 HydrophobicContact CE2-CH2 3.5Å; Y397-W463 HydrophobicContact CE2-CZ2 4.05Å; Y397-W463 HydrophobicContact CE2-CZ3 4.37Å; Y397-W463 HydrophobicContact CG-CH2 4.23Å; Y397-W463 AromaticContact CZ-CH2 3.96Å; F410-W463 HydrophobicContact CE2-CZ3 4.26Å; I459-W463 VanDerWaalsContact O-CB 3.29Å; I459-W463 WeakPolarHBondContact O-CB 3.32Å; I459-W463 PolarHBondContact O-N 3.28Å; Y461-W463 VanDerWaalsContact C-N 3.34Å; Y461-W463 PolarHBondContact O-N 3.48Å; W463-V465 VanDerWaalsContact C-N 3.29Å; W463-V465 PolarHBondContact O-N 2.91Å; W463-I466 HydrophobicContact CE3-CB 4.34Å; W463-I466 HydrophobicContact CE3-CD1 4.35Å; W463-I466 HydrophobicContact CE3-CG2 4.24Å; W463-I466 HydrophobicContact CZ3-CG2 4.04Å; W463-I466 WeakPolarHBondContact O-CB 3.41Å; W463-I466 PolarHBondContact O-N 2.65Å; W463-I466 VanDerWaalsContact O-N 3.15Å; W463-E467 HydrophobicContact CD2-CG 4.04Å; W463-E467 VanDerWaalsContact CE2-CD 3.43Å; W463-E467 VanDerWaalsContact CE2-CG 3.46Å; W463-E467 HydrophobicContact CG-CG 4.44Å; W463-E467 HydrophobicContact CH2-CG 4.32Å; W463-E467 HydrophobicContact CZ2-CG 3.63Å; W463-E467 PolarHBondContact NE1-OE1 3.47Å; W463-E467 PolarHBondContact NE1-OE2 3.25Å; W463-E467 PolarHBondContact O-N 3.42Å
464S98.3Very high97.6Very high56 Ų5650.9 Ų50.939%0.39224%0.244SC..Hα-helixtrans-61.2-37.3177.383.10000112.7D460 Y461 S462 K468D460-S464 WeakPolarHBondContact O-CB 3.45Å; D460-S464 PolarHBondContact O-N 3.42Å; Y461-S464 WeakPolarHBondContact O-CB 3.48Å; Y461-S464 PolarHBondContact O-N 2.75Å; Y461-S464 VanDerWaalsContact O-N 3.08Å; Y461-S464 PolarHBondContact O-OG 3.35Å; S462-S464 VanDerWaalsContact C-N 3.34Å; S462-S464 PolarHBondContact O-N 2.73Å; S464-K468 WeakPolarHBondContact O-CB 3.23Å; S464-K468 PolarHBondContact O-N 3Å
465V98.1Very high97.4Very high3 Ų353.3 Ų53.32%0.01826%0.257CS..Hα-helixtrans-65-45.7174.91740000110.3E431 I432 Y461 S462 W463 T469E431-V465 HydrophobicContact CB-CG1 4.13Å; E431-V465 HydrophobicContact CB-CG2 4.11Å; I432-V465 HydrophobicContact CD1-CB 4.43Å; I432-V465 HydrophobicContact CD1-CG1 4.23Å; I432-V465 HydrophobicContact CG1-CG1 4.2Å; I432-V465 HydrophobicContact CG2-CB 4.18Å; I432-V465 HydrophobicContact CG2-CG1 4.23Å; I432-V465 HydrophobicContact CG2-CG2 4.17Å; Y461-V465 HydrophobicContact CD1-CG2 4.2Å; Y461-V465 HydrophobicContact CE1-CG2 3.77Å; Y461-V465 PolarHBondContact O-N 3.07Å; Y461-V465 VanDerWaalsContact O-N 3.07Å; S462-V465 PolarHBondContact O-N 3.32Å; W463-V465 VanDerWaalsContact C-N 3.29Å; W463-V465 PolarHBondContact O-N 2.91Å; V465-T469 WeakPolarHBondContact O-CB 3.17Å; V465-T469 PolarHBondContact O-N 2.87Å; V465-T469 PolarHBondContact O-OG1 3.15Å
466I98.5Very high97Very high0 Ų054.8 Ų54.80%027%0.265CS..Hα-helixtrans-60.3-49.2177.5-67.8160.4000110.5F387 Y397 F410 I426 I432 F447 S462 W463 T469 S470F387-I466 HydrophobicContact CE2-CD1 4.2Å; F387-I466 HydrophobicContact CZ-CD1 4.06Å; Y397-I466 HydrophobicContact CE1-CG2 4.21Å; Y397-I466 WeakPolarHBondContact OH-CG2 3.5Å; F410-I466 HydrophobicContact CE2-CG2 4.13Å; F410-I466 HydrophobicContact CZ-CD1 4.07Å; F410-I466 HydrophobicContact CZ-CG2 4.25Å; I426-I466 HydrophobicContact CD1-CB 4.45Å; I426-I466 HydrophobicContact CD1-CG1 3.95Å; I426-I466 HydrophobicContact CD1-CG2 4.48Å; I432-I466 HydrophobicContact CD1-CD1 4.01Å; I432-I466 HydrophobicContact CD1-CG1 3.69Å; F447-I466 HydrophobicContact CD2-CD1 4.13Å; F447-I466 HydrophobicContact CE2-CD1 4.15Å; S462-I466 WeakPolarHBondContact O-CG1 3.29Å; S462-I466 PolarHBondContact O-N 2.85Å; S462-I466 VanDerWaalsContact O-N 3.11Å; W463-I466 HydrophobicContact CE3-CB 4.34Å; W463-I466 HydrophobicContact CE3-CD1 4.35Å; W463-I466 HydrophobicContact CE3-CG2 4.24Å; W463-I466 HydrophobicContact CZ3-CG2 4.04Å; W463-I466 WeakPolarHBondContact O-CB 3.41Å; W463-I466 PolarHBondContact O-N 2.65Å; W463-I466 VanDerWaalsContact O-N 3.15Å; I466-T469 PolarHBondContact O-N 3.46Å; I466-S470 WeakPolarHBondContact O-CB 3.41Å; I466-S470 PolarHBondContact O-N 2.88Å; I466-S470 PolarHBondContact O-OG 3.38Å
467E97.8Very high96.5Very high50 Ų5054 Ų5423%0.23426%0.259CS..Hα-helixtrans-65.6-42.8179.9-72.9-165.1120.700113.5N394 W463 T469 S470 R471N394-E467 PolarHBondContact ND2-OE1 3.09Å; W463-E467 HydrophobicContact CD2-CG 4.04Å; W463-E467 VanDerWaalsContact CE2-CD 3.43Å; W463-E467 VanDerWaalsContact CE2-CG 3.46Å; W463-E467 HydrophobicContact CG-CG 4.44Å; W463-E467 HydrophobicContact CH2-CG 4.32Å; W463-E467 HydrophobicContact CZ2-CG 3.63Å; W463-E467 PolarHBondContact NE1-OE1 3.47Å; W463-E467 PolarHBondContact NE1-OE2 3.25Å; W463-E467 PolarHBondContact O-N 3.42Å; E467-T469 VanDerWaalsContact C-N 3.3Å; E467-T469 PolarHBondContact O-N 3.38Å; E467-S470 PolarHBondContact O-OG 2.77Å; E467-S470 VanDerWaalsContact O-OG 3.13Å; E467-R471 WeakPolarHBondContact O-CB 3.25Å; E467-R471 PolarHBondContact O-N 3.04Å
468K97.7Very high95.9Very high115 Ų11553 Ų5350%0.526%0.255SS..Hα-helixtrans-62.2-41.7176.8-179.3-178.1176.1-171.90110.7S464 K472S464-K468 WeakPolarHBondContact O-CB 3.23Å; S464-K468 PolarHBondContact O-N 3Å; K468-K472 WeakPolarHBondContact O-CG 3.3Å; K468-K472 PolarHBondContact O-N 2.72Å
469T97.8Very high95.2Very high14 Ų1457.9 Ų57.99%0.08628%0.275CS..Hα-helixtrans-70.6-44.9-179.5-53.60000111.3L422 L425 I426 V465 I466 E467 K472 L473L422-T469 HydrophobicContact CD1-CG2 3.82Å; L425-T469 HydrophobicContact CB-CG2 3.6Å; L425-T469 HydrophobicContact CD1-CG2 4.41Å; I426-T469 HydrophobicContact CG1-CG2 3.96Å; V465-T469 WeakPolarHBondContact O-CB 3.17Å; V465-T469 PolarHBondContact O-N 2.87Å; V465-T469 PolarHBondContact O-OG1 3.15Å; I466-T469 PolarHBondContact O-N 3.46Å; E467-T469 VanDerWaalsContact C-N 3.3Å; E467-T469 PolarHBondContact O-N 3.38Å; T469-K472 PolarHBondContact O-N 3.25Å; T469-L473 WeakPolarHBondContact O-CB 3.32Å; T469-L473 PolarHBondContact O-N 3.13Å
470S97.4Very high94.5Very high4 Ų464.8 Ų64.83%0.02830%0.302CS..Hα-helixtrans-67.3-37.8178.170.40000112.4Y397 I466 E467 K472 L473 L474Y397-S470 VanDerWaalsContact OH-CB 3.23Å; Y397-S470 WeakPolarHBondContact OH-CB 3.31Å; Y397-S470 PolarHBondContact OH-OG 3.09Å; I466-S470 WeakPolarHBondContact O-CB 3.41Å; I466-S470 PolarHBondContact O-N 2.88Å; I466-S470 PolarHBondContact O-OG 3.38Å; E467-S470 PolarHBondContact O-OG 2.77Å; E467-S470 VanDerWaalsContact O-OG 3.13Å; S470-K472 PolarHBondContact O-N 2.9Å; S470-L473 PolarHBondContact O-N 3Å; S470-L474 WeakPolarHBondContact O-CB 3.37Å; S470-L474 VanDerWaalsContact O-CG 3.25Å; S470-L474 WeakPolarHBondContact O-CG 3.22Å; S470-L474 PolarHBondContact O-N 3.37Å
471R96.5Very high93.6Very high171 Ų17168.4 Ų68.465%0.64532%0.315SS*.Hα-helixtrans-58.7-48.8174.3-172.2-178.1-57.5179.33.1111E467 L473 L474 T475E467-R471 WeakPolarHBondContact O-CB 3.25Å; E467-R471 PolarHBondContact O-N 3.04Å; R471-L473 VanDerWaalsContact C-N 3.34Å; R471-L473 PolarHBondContact O-N 2.82Å; R471-L474 PolarHBondContact O-N 3.01Å; R471-T475 WeakPolarHBondContact O-CB 3.38Å; R471-T475 PolarHBondContact O-N 2.89Å; R471-T475 PolarHBondContact O-OG1 3.21Å
472K95.1Very high92.7Very high130 Ų13067.9 Ų67.957%0.56532%0.316SS*.Hα-helixtrans-57-47.8175.2-73.6177.1178.6-173.40111.4K468 T469 S470 T475 T476K468-K472 WeakPolarHBondContact O-CG 3.3Å; K468-K472 PolarHBondContact O-N 2.72Å; T469-K472 PolarHBondContact O-N 3.25Å; S470-K472 PolarHBondContact O-N 2.9Å; K472-T475 PolarHBondContact O-N 2.9Å; K472-T476 WeakPolarHBondContact O-CB 3.48Å; K472-T476 PolarHBondContact O-N 3.23Å; K472-T476 PolarHBondContact O-OG1 3.48Å; K472-T476 VanDerWaalsContact O-OG1 3.04Å
473L96.2Very high91.7Very high13 Ų1372.7 Ų72.77%0.06834%0.339CS..Hα-helixtrans-60.6-49.6179.7176.759.4000112.4L412 L418 C421 L422 L425 T469 S470 R471 T476 Q477L412-L473 HydrophobicContact CD1-CD2 4.32Å; L418-L473 HydrophobicContact CD1-CD2 3.8Å; L418-L473 HydrophobicContact CD1-CG 3.93Å; C421-L473 HydrophobicContact CB-CD1 4.27Å; C421-L473 HydrophobicContact CB-CD2 4.17Å; C421-L473 VanDerWaalsContact SG-CD1 3.56Å; L422-L473 HydrophobicContact CB-CD2 3.86Å; L425-L473 HydrophobicContact CD1-CB 4.27Å; L425-L473 HydrophobicContact CD1-CD1 4.13Å; T469-L473 WeakPolarHBondContact O-CB 3.32Å; T469-L473 PolarHBondContact O-N 3.13Å; S470-L473 PolarHBondContact O-N 3Å; R471-L473 VanDerWaalsContact C-N 3.34Å; R471-L473 PolarHBondContact O-N 2.82Å; L473-T476 PolarHBondContact O-N 3.44Å; L473-Q477 WeakPolarHBondContact O-CB 3.36Å; L473-Q477 PolarHBondContact O-N 3.04Å
474L94.3Very high90.7Very high58 Ų5875.4 Ų75.430%0.30435%0.354SS..Hα-helixtrans-64.8-40.3-179.4-69.5171.5000111.6A396 L412 L418 S470 R471 Q477 H478A396-L474 HydrophobicContact CB-CD1 4.19Å; L412-L474 HydrophobicContact CD2-CD1 4.32Å; L418-L474 HydrophobicContact CD1-CD2 4.25Å; L418-L474 HydrophobicContact CD2-CD2 4Å; S470-L474 WeakPolarHBondContact O-CB 3.37Å; S470-L474 VanDerWaalsContact O-CG 3.25Å; S470-L474 WeakPolarHBondContact O-CG 3.22Å; S470-L474 PolarHBondContact O-N 3.37Å; R471-L474 PolarHBondContact O-N 3.01Å; L474-Q477 PolarHBondContact O-N 2.95Å; L474-H478 WeakPolarHBondContact O-CB 3.4Å; L474-H478 PolarHBondContact O-N 3.46Å
475T92.6Very high89.6Confident68 Ų6875.6 Ų75.642%0.41736%0.355SS..Hα-helixtrans-62.4-48174.3-63.80000111.2R471 K472 Q477 H478 F479R471-T475 WeakPolarHBondContact O-CB 3.38Å; R471-T475 PolarHBondContact O-N 2.89Å; R471-T475 PolarHBondContact O-OG1 3.21Å; K472-T475 PolarHBondContact O-N 2.9Å; T475-Q477 PolarHBondContact O-N 2.92Å; T475-H478 WeakPolarHBondContact O-CB 3.37Å; T475-H478 PolarHBondContact O-N 3.34Å; T475-F479 HydrophobicContact CG2-CD2 3.73Å; T475-F479 HydrophobicContact CG2-CE2 3.42Å; T475-F479 VanDerWaalsContact CG2-CE2 3.42Å; T475-F479 WeakPolarHBondContact O-CD2 3.37Å; T475-F479 PolarHBondContact O-N 2.98Å
476T90.3Very high88.4Confident77 Ų7779.8 Ų79.847%0.47238%0.376SS..Hα-helixtrans-60.8-43.5176.4-61.40000111.8K472 L473 H478 F479 Y480K472-T476 WeakPolarHBondContact O-CB 3.48Å; K472-T476 PolarHBondContact O-N 3.23Å; K472-T476 PolarHBondContact O-OG1 3.48Å; K472-T476 VanDerWaalsContact O-OG1 3.04Å; L473-T476 PolarHBondContact O-N 3.44Å; T476-H478 VanDerWaalsContact C-N 3.31Å; T476-H478 PolarHBondContact O-N 3.42Å; T476-F479 PolarHBondContact O-N 2.94Å; T476-Y480 WeakPolarHBondContact O-CB 3.48Å; T476-Y480 PolarHBondContact O-N 3.43Å
477Q86.8Confident86.9Confident60 Ų6084.3 Ų84.328%0.2840%0.398SS..Hα-helixtrans-63.2-38.7177.8-166.7-172.634.600111.7L473 L474 T475 Y480 K481L473-Q477 WeakPolarHBondContact O-CB 3.36Å; L473-Q477 PolarHBondContact O-N 3.04Å; L474-Q477 PolarHBondContact O-N 2.95Å; T475-Q477 PolarHBondContact O-N 2.92Å; Q477-Y480 PolarHBondContact O-N 3.44Å; Q477-K481 WeakPolarHBondContact O-CB 3.4Å; Q477-K481 WeakPolarHBondContact O-CG 3.18Å; Q477-K481 PolarHBondContact O-N 2.88Å
478H85.3Confident85.6Confident110 Ų11086 Ų8651%0.50941%0.409SS..Hα-helixtrans-62.8-48.9176.1-172.773.4000111.5L474 T475 T476 Y480 K481 Q482L474-H478 WeakPolarHBondContact O-CB 3.4Å; L474-H478 PolarHBondContact O-N 3.46Å; T475-H478 WeakPolarHBondContact O-CB 3.37Å; T475-H478 PolarHBondContact O-N 3.34Å; T476-H478 VanDerWaalsContact C-N 3.31Å; T476-H478 PolarHBondContact O-N 3.42Å; H478-Y480 PolarHBondContact O-N 3.24Å; H478-K481 PolarHBondContact O-N 2.97Å; H478-Q482 PolarHBondContact CD2-NE2 3.45Å; H478-Q482 VanDerWaalsContact CD2-NE2 3.33Å; H478-Q482 PolarHBondContact NE2-NE2 3.34Å; H478-Q482 WeakPolarHBondContact O-CG 3.47Å; H478-Q482 PolarHBondContact O-N 3.46Å
479F84.8Confident84Confident127 Ų12786.7 Ų86.756%0.55742%0.415SS*.Hα-helixtrans-61.8-41175.9-76.1-61.5000112.6T475 T476 Q482 H483T475-F479 HydrophobicContact CG2-CD2 3.73Å; T475-F479 HydrophobicContact CG2-CE2 3.42Å; T475-F479 VanDerWaalsContact CG2-CE2 3.42Å; T475-F479 WeakPolarHBondContact O-CD2 3.37Å; T475-F479 PolarHBondContact O-N 2.98Å; T476-F479 PolarHBondContact O-N 2.94Å; F479-Q482 PolarHBondContact O-N 2.82Å; F479-H483 WeakPolarHBondContact O-CB 3.42Å; F479-H483 PolarHBondContact O-N 3.31Å
480Y82Confident82.2Confident145 Ų14592.7 Ų92.757%0.56944%0.44SS*.Hα-helixtrans-62.7-43.1176.7-176-106000112.2T476 Q477 H478 H483 L484T476-Y480 WeakPolarHBondContact O-CB 3.48Å; T476-Y480 PolarHBondContact O-N 3.43Å; Q477-Y480 PolarHBondContact O-N 3.44Å; H478-Y480 PolarHBondContact O-N 3.24Å; Y480-H483 PolarHBondContact O-N 2.9Å; Y480-L484 HydrophobicContact CD1-CD1 3.86Å; Y480-L484 HydrophobicContact CD1-CG 4.46Å; Y480-L484 HydrophobicContact CE1-CD1 3.31Å; Y480-L484 HydrophobicContact CE1-CG 4.07Å; Y480-L484 HydrophobicContact CE2-CG 4.48Å; Y480-L484 PolarHBondContact O-N 3.32Å
481K81.5Confident80.3Confident127 Ų127101.9 Ų101.955%0.55247%0.474SS*.Hα-helixtrans-63.6-42.5175.1-76179.4178.71790112.3Q477 H478 L484 S485Q477-K481 WeakPolarHBondContact O-CB 3.4Å; Q477-K481 WeakPolarHBondContact O-CG 3.18Å; Q477-K481 PolarHBondContact O-N 2.88Å; H478-K481 PolarHBondContact O-N 2.97Å; K481-L484 PolarHBondContact O-N 2.95Å; K481-S485 WeakPolarHBondContact O-CB 3.46Å; K481-S485 PolarHBondContact O-N 3.04Å
482Q78.9Confident78.2Confident88 Ų88100.6 Ų100.641%0.41148%0.48SS..Hα-helixtrans-61.1-44.8174.5-72.6-175.7-0.900111.3H478 F479 L484 S485 I486H478-Q482 PolarHBondContact CD2-NE2 3.45Å; H478-Q482 VanDerWaalsContact CD2-NE2 3.33Å; H478-Q482 PolarHBondContact NE2-NE2 3.34Å; H478-Q482 WeakPolarHBondContact O-CG 3.47Å; H478-Q482 PolarHBondContact O-N 3.46Å; F479-Q482 PolarHBondContact O-N 2.82Å; Q482-L484 PolarHBondContact O-N 2.98Å; Q482-S485 WeakPolarHBondContact O-CB 3.2Å; Q482-S485 PolarHBondContact O-N 3.33Å; Q482-I486 WeakPolarHBondContact O-CG1 3.34Å; Q482-I486 PolarHBondContact O-N 2.98Å
483H77.5Confident76.1Confident100 Ų10098.4 Ų98.446%0.46348%0.482SS..Hα-helixtrans-60.9-45.6178.2-174.478.4000112.3F479 Y480 S485 I486 M487F479-H483 WeakPolarHBondContact O-CB 3.42Å; F479-H483 PolarHBondContact O-N 3.31Å; Y480-H483 PolarHBondContact O-N 2.9Å; H483-S485 VanDerWaalsContact C-N 3.35Å; H483-S485 PolarHBondContact O-N 3.46Å; H483-I486 PolarHBondContact O-N 2.88Å; H483-M487 WeakPolarHBondContact NE2-CE 3.46Å; H483-M487 WeakPolarHBondContact O-CB 3.49Å; H483-M487 WeakPolarHBondContact O-CG 3.34Å; H483-M487 PolarHBondContact O-N 3.34Å
484L76.6Confident73.3Confident68 Ų68107.2 Ų107.236%0.35652%0.515SS..Hα-helixtrans-62.6-39.1174.9-76177.4000112.6Y480 K481 Q482 M487 N488Y480-L484 HydrophobicContact CD1-CD1 3.86Å; Y480-L484 HydrophobicContact CD1-CG 4.46Å; Y480-L484 HydrophobicContact CE1-CD1 3.31Å; Y480-L484 HydrophobicContact CE1-CG 4.07Å; Y480-L484 HydrophobicContact CE2-CG 4.48Å; Y480-L484 PolarHBondContact O-N 3.32Å; K481-L484 PolarHBondContact O-N 2.95Å; Q482-L484 PolarHBondContact O-N 2.98Å; L484-M487 PolarHBondContact O-N 3.46Å; L484-N488 WeakPolarHBondContact O-CB 3.4Å; L484-N488 PolarHBondContact O-N 3.49Å
485S75Confident70.7Confident59 Ų59111.5 Ų111.541%0.41354%0.537SS..Hα-helixtrans-61.2-45.9175.4-178.40000111.4K481 Q482 H483 M487 N488 M489K481-S485 WeakPolarHBondContact O-CB 3.46Å; K481-S485 PolarHBondContact O-N 3.04Å; Q482-S485 WeakPolarHBondContact O-CB 3.2Å; Q482-S485 PolarHBondContact O-N 3.33Å; H483-S485 VanDerWaalsContact C-N 3.35Å; H483-S485 PolarHBondContact O-N 3.46Å; S485-M487 PolarHBondContact O-N 2.94Å; S485-N488 PolarHBondContact O-N 3.32Å; S485-M489 WeakPolarHBondContact O-CG 3.4Å; S485-M489 PolarHBondContact O-N 3.48Å
486I73.3Confident68.2Low91 Ų91113.4 Ų113.447%0.46755%0.551SS.*Hα-helixtrans-62.7-43.7176.3-65.8164000111Q482 H483 M489 K490Q482-I486 WeakPolarHBondContact O-CG1 3.34Å; Q482-I486 PolarHBondContact O-N 2.98Å; H483-I486 PolarHBondContact O-N 2.88Å; I486-M489 PolarHBondContact O-N 3.32Å; I486-K490 WeakPolarHBondContact O-CG 3.45Å; I486-K490 PolarHBondContact O-N 3.32Å
487M67Low65.6Low95 Ų95117.6 Ų117.647%0.46857%0.568SS.*Hα-helixtrans-62.2-41.7177-76.4-80.1-167.100112.2H483 L484 S485 K490 R491H483-M487 WeakPolarHBondContact NE2-CE 3.46Å; H483-M487 WeakPolarHBondContact O-CB 3.49Å; H483-M487 WeakPolarHBondContact O-CG 3.34Å; H483-M487 PolarHBondContact O-N 3.34Å; L484-M487 PolarHBondContact O-N 3.46Å; S485-M487 PolarHBondContact O-N 2.94Å; M487-K490 PolarHBondContact O-N 3.02Å; M487-R491 PolarHBondContact O-N 2.99Å
488N71Confident63.1Low85 Ų85124.5 Ų124.546%0.45560%0.597SS.*Hα-helixtrans-69.7-37.3177.5-75.5-17.9000112.2L484 S485 K490 R491 N492L484-N488 WeakPolarHBondContact O-CB 3.4Å; L484-N488 PolarHBondContact O-N 3.49Å; S485-N488 PolarHBondContact O-N 3.32Å; N488-K490 VanDerWaalsContact C-N 3.31Å; N488-K490 PolarHBondContact O-N 3.46Å; N488-R491 PolarHBondContact O-N 3.23Å; N488-N492 PolarHBondContact O-N 2.94Å
489M64Low60.7Low130 Ų130124 Ų12464%0.6461%0.612SS**Hα-helixtrans-60.9-40.4171.4-73.9-177.3-175.600111.7S485 I486 N492 S493S485-M489 WeakPolarHBondContact O-CG 3.4Å; S485-M489 PolarHBondContact O-N 3.48Å; I486-M489 PolarHBondContact O-N 3.32Å; M489-N492 PolarHBondContact O-N 3.5Å; M489-S493 PolarHBondContact O-N 2.89Å; M489-S493 VanDerWaalsContact O-N 3.13Å; M489-S493 PolarHBondContact O-OG 3.37Å
490K59.6Low58.2Low140 Ų140122.5 Ų122.561%0.60962%0.623SS**Hα-helixtrans-66.8-34175.2-73.7-176178.4-1740113.2I486 M487 N488 S493I486-K490 WeakPolarHBondContact O-CG 3.45Å; I486-K490 PolarHBondContact O-N 3.32Å; M487-K490 PolarHBondContact O-N 3.02Å; N488-K490 VanDerWaalsContact C-N 3.31Å; N488-K490 PolarHBondContact O-N 3.46Å; K490-S493 WeakPolarHBondContact CA-OG 3.35Å; K490-S493 PolarHBondContact O-OG 3.38Å
491R57.3Low56Low197 Ų197120 Ų12074%0.74363%0.627SS**Hα-helixtrans-70.2-39.6173.4-88-177.7173.6166-1.7112.8M487 N488 S493 Y494M487-R491 PolarHBondContact O-N 2.99Å; N488-R491 PolarHBondContact O-N 3.23Å; R491-S493 VanDerWaalsContact C-N 3.3Å; R491-S493 PolarHBondContact O-N 3Å; R491-Y494 PolarHBondContact O-N 2.97Å
492N53.1Low53.8Low144 Ų144122.6 Ų122.677%0.7764%0.639SS**Hα-helixtrans-77.9-13.1-179.8-72.8-7.7000113.9N488 M489N488-N492 PolarHBondContact O-N 2.94Å; M489-N492 PolarHBondContact O-N 3.5Å
493S50.2Low51.7Low85 Ų85122.4 Ų122.459%0.59465%0.647SS**THydrogen-bonded Turntrans-90.31.8174.939.90000113.7M489 K490 R491 I495M489-S493 PolarHBondContact O-N 2.89Å; M489-S493 VanDerWaalsContact O-N 3.13Å; M489-S493 PolarHBondContact O-OG 3.37Å; K490-S493 WeakPolarHBondContact CA-OG 3.35Å; K490-S493 PolarHBondContact O-OG 3.38Å; R491-S493 VanDerWaalsContact C-N 3.3Å; R491-S493 PolarHBondContact O-N 3Å; S493-I495 PolarHBondContact O-N 3.25Å
494Y39.3Very low49.7Very low197 Ų197124.3 Ų124.377%0.77366%0.661SS**  trans-86.593.3174.1-124.7-90.3000110.9R491R491-Y494 PolarHBondContact O-N 2.97Å
495I38Very low47.8Very low148 Ų148127 Ų12776%0.75968%0.675SS**  trans-88.8116.3164.9-59.9171.7000106.9S493 I497S493-I495 PolarHBondContact O-N 3.25Å; I495-I497 PolarHBondContact O-N 3.46Å
496P40.1Very low46.1Very low108 Ų108131.4 Ų131.470%0.70169%0.689SS**  trans-74.5115.6178.928.5-30.1000109.7K498P496-K498 PolarHBondContact O-N 3.19Å
497I37.2Very low44.3Very low165 Ų165132.7 Ų132.785%0.84670%0.701SS**  trans-69.8110.1167.2-63.8173.8000107.2I495 A499I495-I497 PolarHBondContact O-N 3.46Å; I497-A499 PolarHBondContact O-N 3.46Å
498K33.1Very low42.8Very low205 Ų205133.2 Ų133.289%0.89172%0.715SS**  trans-58.9127.1169.3-87.6178.1171.7178.10110.1P496P496-K498 PolarHBondContact O-N 3.19Å
499A35.9Very low41.3Very low99 Ų99134.1 Ų134.182%0.81873%0.728SS**  trans-114.8119155.700000108.7I497I497-A499 PolarHBondContact O-N 3.46Å
500A32.4Very low40Very low96 Ų96135 Ų13579%0.79374%0.735SS**  trans-61160.4164.200000109.6
501S34.2Very low39Very low92 Ų92133.7 Ų133.764%0.64374%0.744SS**  cis-174160.815.235.90000104.4
502F36.8Very low38Very low182 Ų182130.6 Ų130.680%0.79875%0.747SS**  177.3144.963-106.9-78.3000107.7
503S35Very low37.3Very low84 Ų84132.9 Ų132.959%0.58775%0.75SS**  trans9.5152.5146.854.30000121.2
504D34.7Very low36.6Very low141 Ų141135 Ų13575%0.75475%0.753SS**  cis-170.4163.53.4-100.3-25.5000108.7
505D35.6Very low36.5Very low123 Ų123134.4 Ų134.466%0.65876%0.755SS**  trans98.2117.4141.8-76.7-14.7000125.8
506H39.3Very low36.4Very low152 Ų152135.3 Ų135.370%0.70476%0.757SS**  trans88.690.3135.8-68.3-49.7000123.2
507T35.4Very low35.9Very low118 Ų118140.8 Ų140.872%0.72476%0.763SS**  35.7120.3118.252.50000121.3
508S37.3Very low35.8Very low107 Ų107145.1 Ų145.175%0.74877%0.769SS**  161.3129.793.259.20000114.3
509S37.9Very low35.9Very low104 Ų104143.9 Ų143.973%0.72777%0.766SS**  trans54.9148.9136.590.60000120.8
510N38.3Very low35.6Very low148 Ų148142.4 Ų142.479%0.79176%0.76SS**  cis-172160.810.4-130.5-14.3000110.2
511S38.8Very low35.7Very low113 Ų113143.8 Ų143.879%0.7976%0.764SS**  trans94.5114.3144.879.30000122.4
512T35.8Very low35.5Very low132 Ų132146.3 Ų146.381%0.8178%0.776SS**  trans-73.8155.8170.9-34.60000114.2
513K38.8Very low35.5Very low192 Ų192143 Ų14384%0.83578%0.776SS**  trans-174114.4139.9-101.5168.8-173.5-175.10109
514L34.5Very low35.2Very low128 Ų128143.4 Ų143.467%0.6778%0.783SS**  86.9120.179-103.1148.1000114.1
515F36.7Very low35.2Very low185 Ų185145.4 Ų145.481%0.81179%0.789SS**  trans159.7100.8135.4-102.3-85000109.8
516Q35.8Very low35Very low168 Ų168147.7 Ų147.779%0.78580%0.795SS**  81.8124.779.1-99.6-172.1-5.200117.3
517R29.9Very low34.6Very low222 Ų222145.2 Ų145.284%0.83880%0.795SS**  trans-58.7157.9-177.8-74.9169165177.1-4.7117
518R35.8Very low34.5Very low257 Ų257144.9 Ų144.997%0.9779%0.793SS**  trans-147.2138.9134.2-102.9-176.7-177.5-169.90.3112.8
519H34.6Very low34.1Very low178 Ų178148.8 Ų148.882%0.82480%0.796SS**  trans-77.3158.2178.1-81.8-79000113.3
520G31Very low33.9Very low68 Ų68148 Ų14870%0.70179%0.787SS**  trans161.4109.5152.800000116.7
521S34Very low33.3Very low126 Ų126150.5 Ų150.588%0.88179%0.791SS**  trans59.8104.7159.163.90000120.6
522T29.4Very low33.3Very low145 Ų145156 Ų15689%0.8979%0.794SS**  trans-85.1112.5165.744.60000111.7
523S36.2Very low33.2Very low113 Ų113157.2 Ų157.279%0.7979%0.793SS**  trans-105.1105.6148.356.70000106.8E525S523-E525 VanDerWaalsContact C-N 3.33Å; S523-E525 PolarHBondContact O-N 2.69Å
524A30.3Very low32.9Very low91 Ų91155.3 Ų155.375%0.75279%0.791SS**  trans-76.582.3-177.100000110.8E526A524-E526 VanDerWaalsContact C-N 3.28Å
525E33.2Very low32.8Very low184 Ų184156.8 Ų156.886%0.8680%0.798SS**  trans-86.877.3145.5-77.2-174.5162.900107S523 S527S523-E525 VanDerWaalsContact C-N 3.33Å; S523-E525 PolarHBondContact O-N 2.69Å; E525-S527 PolarHBondContact O-N 3.13Å
526E31.4Very low32.5Very low171 Ų171155.2 Ų155.280%0.79980%0.797SS**  trans-72.688.7165.4-83.4-173.7159.600108.1A524 V528A524-E526 VanDerWaalsContact C-N 3.28Å; E526-V528 VanDerWaalsContact C-N 3.29Å; E526-V528 PolarHBondContact O-N 3.29Å
527S31.9Very low32.3Very low100 Ų100154.4 Ų154.470%0.69980%0.798SS**  trans-59.398.3156.963.60000107.3E525 K529E525-S527 PolarHBondContact O-N 3.13Å; S527-K529 PolarHBondContact O-N 3.42Å
528V33.3Very low32.5Very low111 Ų111149.9 Ų149.967%0.67380%0.795SS**  trans-66.291.3167.9-1750000106.7E526 V530E526-V528 VanDerWaalsContact C-N 3.29Å; E526-V528 PolarHBondContact O-N 3.29Å; V528-V530 HydrophobicContact CG1-CG2 3.6Å; V528-V530 PolarHBondContact O-N 3.2Å
529K28.7Very low32.3Very low188 Ų188142.2 Ų142.282%0.81778%0.783SS**  trans-67.685.3160.7-81.5-174.4177.7177.50107.1S527 K531S527-K529 PolarHBondContact O-N 3.42Å; K529-K531 PolarHBondContact O-N 3.24Å
530V33.1Very low32.1Very low89 Ų89139.5 Ų139.554%0.53978%0.779SS.*  trans-66.8101.8159-175.60000105.8V528 W532V528-V530 HydrophobicContact CG1-CG2 3.6Å; V528-V530 PolarHBondContact O-N 3.2Å; V530-W532 HydrophobicContact CG1-CD2 4.42Å; V530-W532 PolarHBondContact O-N 3.47Å
531K26.8Very low32.2Very low200 Ų200145.4 Ų145.487%0.8779%0.786SS**  trans-65.2114.5158-94.1-175.8171.8-177.80106.2K529K529-K531 PolarHBondContact O-N 3.24Å
532W37.9Very low32Very low227 Ų227147.2 Ų147.286%0.8678%0.777SS**  trans-71.90165.9-69.3101.8000110.7V530V530-W532 HydrophobicContact CG1-CD2 4.42Å; V530-W532 PolarHBondContact O-N 3.47Å

Retrieved 532 of 532 residues in 1209.2 ms (Link to these results)

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