A0A096MKS0_PAPAN Loading...

NADPH oxidase 1

AlphaFold DB , UniProt , Accession A0A096MKS0, Species PAPAN (Papio anubis, Olive baboon), Gene NOX1, Length 564 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.3Very low62.5Low218 Ų21872.6 Ų72.6100%1.07436%0.361SS*.  0-38.60-71.4-176.6-173.200112.9N3 W4M1-N3 PolarHBondContact O-N 3.34Å; M1-W4 PolarHBondContact O-N 3.46Å
2G46.1Very low64.4Low29 Ų2971.6 Ų71.630%0.29936%0.362SS..Hα-helixtrans-50.8-49-179.300000116.9W4 V5 L550G2-W4 PolarHBondContact O-N 3.23Å; G2-W4 VanDerWaalsContact O-N 3.12Å; G2-V5 PolarHBondContact O-N 2.97Å; G2-L550 WeakPolarHBondContact O-CD2 3.35Å
3N53.9Low66.3Low42 Ų4272.8 Ų72.823%0.22537%0.369CS..Hα-helixtrans-64-19.4-177.3-60.4-19.9000114.8M1 H545 S548 S549 L550M1-N3 PolarHBondContact O-N 3.34Å; N3-H545 PolarHBondContact ND2-O 3.31Å; N3-S548 VanDerWaalsContact CG-O 3.27Å; N3-S548 PolarHBondContact ND2-O 2.95Å; N3-S549 WeakPolarHBondContact OD1-CA 3.5Å; N3-L550 PolarHBondContact OD1-N 2.97Å
4W59.6Low68Low129 Ų12974.2 Ų74.249%0.48937%0.372SS..Hα-helixtrans-76.6-38.3179-179.984.5000111.5M1 G2 N7 H8 V12M1-W4 PolarHBondContact O-N 3.46Å; G2-W4 PolarHBondContact O-N 3.23Å; G2-W4 VanDerWaalsContact O-N 3.12Å; W4-N7 PolarHBondContact O-N 3.34Å; W4-H8 AromaticContact CD1-ND1 3.81Å; W4-H8 HydrophobicContact CD2-CB 4.46Å; W4-H8 HydrophobicContact CZ2-CB 4.29Å; W4-H8 AromaticContact NE1-ND1 3.83Å; W4-H8 PolarHBondContact O-N 3.18Å; W4-H8 PolarHBondContact O-ND1 3.49Å; W4-V12 HydrophobicContact CH2-CG2 3.31Å; W4-V12 HydrophobicContact CZ2-CG2 3.97Å; W4-V12 HydrophobicContact CZ3-CG2 3.91Å
5V60.5Low69.6Low77 Ų7773 Ų7347%0.46737%0.366SS..Hα-helixtrans-63.2-45.2-177.4-179.40000110.6G2 N7 H8 W9G2-V5 PolarHBondContact O-N 2.97Å; V5-N7 PolarHBondContact O-N 3.36Å; V5-N7 VanDerWaalsContact O-N 3.17Å; V5-H8 PolarHBondContact O-N 2.82Å; V5-W9 HydrophobicContact CG1-CB 4Å; V5-W9 WeakPolarHBondContact O-CA 3.37Å; V5-W9 WeakPolarHBondContact O-CB 3.47Å; V5-W9 PolarHBondContact O-N 2.99Å
6V59.4Low71.1Confident60 Ų6071.8 Ų71.836%0.36437%0.371SS..Hα-helixtrans-56.8-38.3-179.6172.40000112.8L550V6-L550 HydrophobicContact CB-CD2 4.3Å; V6-L550 HydrophobicContact CG2-CD2 3.19Å
7N61Low72.5Confident14 Ų1472.3 Ų72.38%0.07538%0.378CS..Hα-helixtrans-88.3-15.6-175-74.7-8.8000114.7W4 V5 K92 F557 Y558W4-N7 PolarHBondContact O-N 3.34Å; V5-N7 PolarHBondContact O-N 3.36Å; V5-N7 VanDerWaalsContact O-N 3.17Å; N7-K92 PolarHBondContact O-NZ 3.41Å; N7-F557 PolarHBondContact ND2-O 3.12Å; N7-Y558 VanDerWaalsContact OD1-CD1 3.3Å; N7-Y558 WeakPolarHBondContact OD1-CD1 3.41Å; N7-Y558 WeakPolarHBondContact OD1-CE1 3.38Å
8H70.1Confident73.9Confident38 Ų3869.3 Ų69.318%0.17636%0.361CS..Hα-helixtrans-133.4-4.7-170-61.385.7000114.7W4 V5 F10 S11 V12 H545W4-H8 AromaticContact CD1-ND1 3.81Å; W4-H8 HydrophobicContact CD2-CB 4.46Å; W4-H8 HydrophobicContact CZ2-CB 4.29Å; W4-H8 AromaticContact NE1-ND1 3.83Å; W4-H8 PolarHBondContact O-N 3.18Å; W4-H8 PolarHBondContact O-ND1 3.49Å; V5-H8 PolarHBondContact O-N 2.82Å; H8-F10 PolarHBondContact O-N 3Å; H8-F10 VanDerWaalsContact O-N 3.13Å; H8-S11 WeakPolarHBondContact O-CB 3.38Å; H8-S11 PolarHBondContact O-N 3.05Å; H8-V12 HydrophobicContact CB-CG2 4.35Å; H8-V12 VanDerWaalsContact O-CG2 3.3Å; H8-V12 WeakPolarHBondContact O-CG2 3.28Å; H8-V12 PolarHBondContact O-N 3.11Å; H8-H545 AromaticContact CE1-CE1 3.68Å
9W76.5Confident75.1Confident123 Ų12369.8 Ų69.847%0.46636%0.364SS..Hα-helixtrans-54.1-40.2-173.971.1-89.3000112.4V5 V12 L13 T89V5-W9 HydrophobicContact CG1-CB 4Å; V5-W9 WeakPolarHBondContact O-CA 3.37Å; V5-W9 WeakPolarHBondContact O-CB 3.47Å; V5-W9 PolarHBondContact O-N 2.99Å; W9-V12 PolarHBondContact O-N 3.21Å; W9-L13 HydrophobicContact CE3-CD2 4.41Å; W9-L13 HydrophobicContact CZ3-CD2 3.92Å; W9-L13 VanDerWaalsContact O-CB 3.32Å; W9-L13 WeakPolarHBondContact O-CB 3.22Å; W9-L13 PolarHBondContact O-N 3.41Å; W9-T89 HydrophobicContact CZ2-CG2 4.45Å
10F80.3Confident76.2Confident54 Ų5468.3 Ų68.324%0.23737%0.366CS..Hα-helixtrans-73.2-36.8-179.8-173.3-106.3000112.3H8 V12 L13 F14 T89 L90 Q93H8-F10 PolarHBondContact O-N 3Å; H8-F10 VanDerWaalsContact O-N 3.13Å; F10-V12 VanDerWaalsContact C-N 3.3Å; F10-V12 PolarHBondContact O-N 3.37Å; F10-L13 PolarHBondContact O-N 3.03Å; F10-F14 VanDerWaalsContact O-CB 3.3Å; F10-F14 WeakPolarHBondContact O-CB 3.49Å; F10-F14 PolarHBondContact O-N 3.36Å; F10-T89 HydrophobicContact CB-CG2 3.28Å; F10-T89 HydrophobicContact CD1-CG2 3.79Å; F10-T89 HydrophobicContact CG-CG2 3.64Å; F10-L90 HydrophobicContact CE1-CD1 3.82Å; F10-L90 HydrophobicContact CZ-CD1 3.84Å; F10-Q93 HydrophobicContact CD1-CG 3.24Å; F10-Q93 HydrophobicContact CE1-CB 4.37Å; F10-Q93 HydrophobicContact CE1-CG 3.33Å
11S81.1Confident77.2Confident15 Ų1568.6 Ų68.611%0.10537%0.367CS..Hα-helixtrans-60.1-44.1170.1-64.10000111H8 F14 L15 Q93H8-S11 WeakPolarHBondContact O-CB 3.38Å; H8-S11 PolarHBondContact O-N 3.05Å; S11-F14 PolarHBondContact O-N 3Å; S11-L15 WeakPolarHBondContact O-CB 3.49Å; S11-L15 VanDerWaalsContact O-CG 3.26Å; S11-L15 WeakPolarHBondContact O-CG 3.4Å; S11-L15 PolarHBondContact O-N 3.49Å; S11-Q93 VanDerWaalsContact CA-OE1 3.25Å; S11-Q93 VanDerWaalsContact CB-OE1 3.32Å; S11-Q93 PolarHBondContact OG-NE2 3.15Å; S11-Q93 PolarHBondContact OG-OE1 3.07Å
12V85.4Confident80Confident60 Ų6058.4 Ų58.436%0.36432%0.317SS..Hα-helixtrans-66.8-44.1-179.5174.90000110.4W4 H8 W9 F10 L15 A16W4-V12 HydrophobicContact CH2-CG2 3.31Å; W4-V12 HydrophobicContact CZ2-CG2 3.97Å; W4-V12 HydrophobicContact CZ3-CG2 3.91Å; H8-V12 HydrophobicContact CB-CG2 4.35Å; H8-V12 VanDerWaalsContact O-CG2 3.3Å; H8-V12 WeakPolarHBondContact O-CG2 3.28Å; H8-V12 PolarHBondContact O-N 3.11Å; W9-V12 PolarHBondContact O-N 3.21Å; F10-V12 VanDerWaalsContact C-N 3.3Å; F10-V12 PolarHBondContact O-N 3.37Å; V12-L15 PolarHBondContact O-N 3.39Å; V12-A16 WeakPolarHBondContact O-CB 3.41Å; V12-A16 PolarHBondContact O-N 2.96Å
13L89.3Confident82.5Confident87 Ų8761.5 Ų61.546%0.45533%0.33SS..Hα-helixtrans-60.4-48.2175.9178.963000111W9 F10 L15 A16 V17W9-L13 HydrophobicContact CE3-CD2 4.41Å; W9-L13 HydrophobicContact CZ3-CD2 3.92Å; W9-L13 VanDerWaalsContact O-CB 3.32Å; W9-L13 WeakPolarHBondContact O-CB 3.22Å; W9-L13 PolarHBondContact O-N 3.41Å; F10-L13 PolarHBondContact O-N 3.03Å; L13-L15 VanDerWaalsContact C-N 3.35Å; L13-L15 PolarHBondContact O-N 2.98Å; L13-A16 PolarHBondContact O-N 3.32Å; L13-V17 HydrophobicContact CD1-CG2 4.31Å; L13-V17 WeakPolarHBondContact O-CG2 3.38Å; L13-V17 PolarHBondContact O-N 3.17Å
14F89.7Confident84.6Confident93 Ų9365.3 Ų65.341%0.40834%0.344SS..Hα-helixtrans-57.6-47.1177.1178.1-93.9000111.8F10 S11 V17 W18 F100F10-F14 VanDerWaalsContact O-CB 3.3Å; F10-F14 WeakPolarHBondContact O-CB 3.49Å; F10-F14 PolarHBondContact O-N 3.36Å; S11-F14 PolarHBondContact O-N 3Å; F14-V17 PolarHBondContact O-N 2.93Å; F14-W18 PolarHBondContact O-N 3.43Å; F14-F100 HydrophobicContact CE1-CD1 4.37Å; F14-F100 AromaticContact CE1-CD2 3.83Å; F14-F100 HydrophobicContact CE1-CD2 3.83Å; F14-F100 HydrophobicContact CE1-CE1 4.24Å; F14-F100 AromaticContact CE1-CE2 3.67Å; F14-F100 HydrophobicContact CE1-CE2 3.67Å; F14-F100 HydrophobicContact CE1-CG 4.19Å; F14-F100 AromaticContact CE1-CZ 3.89Å; F14-F100 HydrophobicContact CE1-CZ 3.89Å; F14-F100 HydrophobicContact CZ-CE1 4.23Å; F14-F100 HydrophobicContact CZ-CE2 4.32Å; F14-F100 HydrophobicContact CZ-CZ 4.07Å
15L91.7Very high86.4Confident56 Ų5660.4 Ų60.429%0.29333%0.328SS..Hα-helixtrans-65.7-39.3176.8-71.2174.8000112.4S11 V12 L13 W18 L19 F100 L103S11-L15 WeakPolarHBondContact O-CB 3.49Å; S11-L15 VanDerWaalsContact O-CG 3.26Å; S11-L15 WeakPolarHBondContact O-CG 3.4Å; S11-L15 PolarHBondContact O-N 3.49Å; V12-L15 PolarHBondContact O-N 3.39Å; L13-L15 VanDerWaalsContact C-N 3.35Å; L13-L15 PolarHBondContact O-N 2.98Å; L15-W18 HydrophobicContact CD2-CE3 4.27Å; L15-W18 PolarHBondContact O-N 2.93Å; L15-L19 WeakPolarHBondContact O-CB 3.09Å; L15-L19 VanDerWaalsContact O-CG 3.32Å; L15-L19 WeakPolarHBondContact O-CG 3.41Å; L15-L19 PolarHBondContact O-N 3.18Å; L15-F100 HydrophobicContact CD2-CD2 4.12Å; L15-F100 HydrophobicContact CD2-CE2 4.48Å; L15-L103 HydrophobicContact CD1-CD1 4.37Å; L15-L103 HydrophobicContact CD2-CD1 3.66Å
16A93.4Very high88.2Confident54 Ų5459.1 Ų59.145%0.44632%0.316SS..Hα-helixtrans-64.8-40.3177.400000111.5V12 L13 G20V12-A16 WeakPolarHBondContact O-CB 3.41Å; V12-A16 PolarHBondContact O-N 2.96Å; L13-A16 PolarHBondContact O-N 3.32Å; A16-G20 PolarHBondContact O-N 2.79Å
17V95.4Very high90.1Very high80 Ų8059.6 Ų59.649%0.48532%0.319SS..Hα-helixtrans-63.9-47.5173.8170.70000110.7L13 F14 L19 G20 L21L13-V17 HydrophobicContact CD1-CG2 4.31Å; L13-V17 WeakPolarHBondContact O-CG2 3.38Å; L13-V17 PolarHBondContact O-N 3.17Å; F14-V17 PolarHBondContact O-N 2.93Å; V17-L19 PolarHBondContact O-N 3.34Å; V17-G20 PolarHBondContact O-N 3.38Å; V17-L21 HydrophobicContact CG1-CD1 4.1Å; V17-L21 HydrophobicContact CG1-CG 4.47Å; V17-L21 WeakPolarHBondContact O-CB 3.19Å; V17-L21 WeakPolarHBondContact O-CG 3.27Å; V17-L21 PolarHBondContact O-N 2.59Å
18W96.8Very high91.8Very high18 Ų1862.8 Ų62.87%0.06834%0.336CS..Hα-helixtrans-61.4-42.5177.4166.872.7000112.9F14 L15 L21 N22 F62 N63 F100 L103 V104 M107F14-W18 PolarHBondContact O-N 3.43Å; L15-W18 HydrophobicContact CD2-CE3 4.27Å; L15-W18 PolarHBondContact O-N 2.93Å; W18-L21 PolarHBondContact O-N 3.43Å; W18-N22 PolarHBondContact NE1-ND2 2.86Å; W18-N22 PolarHBondContact O-N 3.31Å; W18-N22 VanDerWaalsContact O-N 3.12Å; W18-N22 PolarHBondContact O-ND2 3.45Å; W18-F62 AromaticContact CD1-CE1 3.77Å; W18-N63 PolarHBondContact NE1-OD1 3.2Å; W18-N63 VanDerWaalsContact NE1-OD1 3.11Å; W18-F100 HydrophobicContact CB-CE2 4.49Å; W18-F100 AromaticContact CD2-CE2 3.92Å; W18-F100 HydrophobicContact CD2-CE2 3.92Å; W18-F100 HydrophobicContact CE3-CE2 4.35Å; W18-F100 AromaticContact CG-CE2 3.95Å; W18-F100 HydrophobicContact CG-CE2 3.95Å; W18-F100 HydrophobicContact CG-CZ 4.23Å; W18-L103 HydrophobicContact CH2-CB 4.18Å; W18-L103 HydrophobicContact CZ3-CB 4.36Å; W18-V104 HydrophobicContact CZ2-CG2 4.18Å; W18-M107 HydrophobicContact CH2-CB 4.01Å; W18-M107 HydrophobicContact CH2-CE 3.72Å; W18-M107 HydrophobicContact CH2-CG 4.36Å; W18-M107 HydrophobicContact CZ2-CB 3.75Å; W18-M107 HydrophobicContact CZ2-CE 4.11Å; W18-M107 HydrophobicContact CZ2-CG 3.97Å; W18-M107 HydrophobicContact CZ3-CE 4.32Å
19L96.9Very high93.1Very high80 Ų8061.2 Ų61.242%0.41933%0.329SS..Hα-helixtrans-65.9-43.5174.6-73.5173.2000111.7L15 V17 L21 N22 V23 M107L15-L19 WeakPolarHBondContact O-CB 3.09Å; L15-L19 VanDerWaalsContact O-CG 3.32Å; L15-L19 WeakPolarHBondContact O-CG 3.41Å; L15-L19 PolarHBondContact O-N 3.18Å; V17-L19 PolarHBondContact O-N 3.34Å; L19-L21 VanDerWaalsContact C-N 3.31Å; L19-L21 PolarHBondContact O-N 3.01Å; L19-N22 WeakPolarHBondContact O-CB 3.29Å; L19-N22 PolarHBondContact O-N 3.47Å; L19-V23 WeakPolarHBondContact O-CG2 3.39Å; L19-V23 PolarHBondContact O-N 3.3Å; L19-M107 HydrophobicContact CD2-CE 3.61Å
20G97.4Very high94.1Very high39 Ų3958.1 Ų58.140%0.40232%0.319SS..Hα-helixtrans-58.8-42.1176.100000112.1A16 V17 V23 F24A16-G20 PolarHBondContact O-N 2.79Å; V17-G20 PolarHBondContact O-N 3.38Å; G20-V23 PolarHBondContact O-N 3.36Å; G20-F24 VanDerWaalsContact O-CB 3.24Å; G20-F24 WeakPolarHBondContact O-CB 3.42Å; G20-F24 PolarHBondContact O-N 2.77Å
21L97.6Very high94.9Very high74 Ų7460 Ų6039%0.38733%0.331SS..Hα-helixtrans-63.6-41.4174.6-73.5171.6000112.3V17 W18 L19 F24 L25 F62V17-L21 HydrophobicContact CG1-CD1 4.1Å; V17-L21 HydrophobicContact CG1-CG 4.47Å; V17-L21 WeakPolarHBondContact O-CB 3.19Å; V17-L21 WeakPolarHBondContact O-CG 3.27Å; V17-L21 PolarHBondContact O-N 2.59Å; W18-L21 PolarHBondContact O-N 3.43Å; L19-L21 VanDerWaalsContact C-N 3.31Å; L19-L21 PolarHBondContact O-N 3.01Å; L21-F24 PolarHBondContact O-N 3.48Å; L21-L25 WeakPolarHBondContact O-CB 3.49Å; L21-L25 WeakPolarHBondContact O-CG 3.09Å; L21-L25 PolarHBondContact O-N 2.83Å; L21-F62 HydrophobicContact CB-CE1 4.28Å; L21-F62 HydrophobicContact CB-CZ 4.14Å; L21-F62 HydrophobicContact CD1-CZ 4.13Å
22N98.2Very high95.6Very high4 Ų465 Ų652%0.02135%0.351CS..Hα-helixtrans-61.2-45.7175.4-85.5-81.4000112.1W18 L19 F26 C59 N63W18-N22 PolarHBondContact NE1-ND2 2.86Å; W18-N22 PolarHBondContact O-N 3.31Å; W18-N22 VanDerWaalsContact O-N 3.12Å; W18-N22 PolarHBondContact O-ND2 3.45Å; L19-N22 WeakPolarHBondContact O-CB 3.29Å; L19-N22 PolarHBondContact O-N 3.47Å; N22-F26 WeakPolarHBondContact O-CB 3.05Å; N22-F26 PolarHBondContact O-N 3.07Å; N22-C59 PolarHBondContact O-SG 3.44Å; N22-N63 PolarHBondContact OD1-ND2 2.9Å
23V98Very high96.1Very high94 Ų9463.1 Ų63.157%0.5734%0.338SS*.Hα-helixtrans-65-45.7177.8174.30000110.5L19 G20 F26 V27L19-V23 WeakPolarHBondContact O-CG2 3.39Å; L19-V23 PolarHBondContact O-N 3.3Å; G20-V23 PolarHBondContact O-N 3.36Å; V23-F26 PolarHBondContact O-N 2.93Å; V23-V27 HydrophobicContact CG1-CG2 4.26Å; V23-V27 WeakPolarHBondContact O-CB 3.32Å; V23-V27 WeakPolarHBondContact O-CG2 3.41Å; V23-V27 PolarHBondContact O-N 2.66Å
24F98.1Very high96.4Very high122 Ų12261.8 Ų61.854%0.53533%0.329SS..Hα-helixtrans-58.1-52.2177.8171.9-101.1000111.5G20 L21 F26 V27 D28G20-F24 VanDerWaalsContact O-CB 3.24Å; G20-F24 WeakPolarHBondContact O-CB 3.42Å; G20-F24 PolarHBondContact O-N 2.77Å; L21-F24 PolarHBondContact O-N 3.48Å; F24-F26 VanDerWaalsContact C-N 3.3Å; F24-F26 PolarHBondContact O-N 2.95Å; F24-V27 PolarHBondContact O-N 2.86Å; F24-D28 HydrophobicContact CZ-CB 4.46Å; F24-D28 VanDerWaalsContact O-CB 3.23Å; F24-D28 WeakPolarHBondContact O-CB 3.36Å; F24-D28 PolarHBondContact O-N 3.42Å
25L97.8Very high96.6Very high26 Ų2661.9 Ų61.914%0.13634%0.337CS..Hα-helixtrans-60.9-39.5178.9-70.2172.7000111.9L21 A29 L58 F62L21-L25 WeakPolarHBondContact O-CB 3.49Å; L21-L25 WeakPolarHBondContact O-CG 3.09Å; L21-L25 PolarHBondContact O-N 2.83Å; L25-A29 WeakPolarHBondContact O-CB 3.23Å; L25-A29 PolarHBondContact O-N 3.28Å; L25-L58 HydrophobicContact CB-CD2 4.22Å; L25-L58 HydrophobicContact CB-CG 4.49Å; L25-L58 HydrophobicContact CD2-CD2 4.13Å; L25-F62 HydrophobicContact CD1-CB 3.83Å; L25-F62 HydrophobicContact CD1-CD1 3.99Å; L25-F62 HydrophobicContact CD1-CD2 4.05Å; L25-F62 HydrophobicContact CD1-CG 3.69Å
26F98.4Very high96.7Very high50 Ų5060.7 Ų60.722%0.21934%0.336CS..Hα-helixtrans-63.4-51176.5-171.4-85.6000111.2N22 V23 F24 F30 A55 H111 I114N22-F26 WeakPolarHBondContact O-CB 3.05Å; N22-F26 PolarHBondContact O-N 3.07Å; V23-F26 PolarHBondContact O-N 2.93Å; F24-F26 VanDerWaalsContact C-N 3.3Å; F24-F26 PolarHBondContact O-N 2.95Å; F26-F30 HydrophobicContact CE1-CD2 4.31Å; F26-F30 WeakPolarHBondContact O-CB 3.47Å; F26-F30 PolarHBondContact O-N 3.35Å; F26-A55 HydrophobicContact CD1-CB 4.21Å; F26-A55 HydrophobicContact CD2-CB 3.66Å; F26-A55 HydrophobicContact CE1-CB 4.22Å; F26-A55 HydrophobicContact CE2-CB 3.68Å; F26-A55 HydrophobicContact CG-CB 3.94Å; F26-A55 HydrophobicContact CZ-CB 3.97Å; F26-A55 VanDerWaalsContact O-CB 3.29Å; F26-A55 WeakPolarHBondContact O-CB 3.18Å; F26-H111 AromaticContact CD2-CE1 3.85Å; F26-I114 HydrophobicContact CE2-CG2 4.49Å
27V98.2Very high96.7Very high71 Ų7160.9 Ų60.943%0.4333%0.329SS..Hα-helixtrans-66.8-44.6-177.4172.90000111.2V23 F24 F30 L31V23-V27 HydrophobicContact CG1-CG2 4.26Å; V23-V27 WeakPolarHBondContact O-CB 3.32Å; V23-V27 WeakPolarHBondContact O-CG2 3.41Å; V23-V27 PolarHBondContact O-N 2.66Å; F24-V27 PolarHBondContact O-N 2.86Å; V27-F30 PolarHBondContact O-N 3.26Å; V27-L31 HydrophobicContact CG1-CD1 3.82Å; V27-L31 HydrophobicContact CG1-CG 4.21Å; V27-L31 WeakPolarHBondContact O-CB 3.41Å; V27-L31 VanDerWaalsContact O-CG 3.3Å; V27-L31 WeakPolarHBondContact O-CG 3.29Å; V27-L31 PolarHBondContact O-N 3.38Å
28D97.8Very high96.6Very high80 Ų8059.7 Ų59.743%0.42832%0.316SS..Hα-helixtrans-58.5-51.2177.5178.873.4000111.2F24 F30 L31 K32F24-D28 HydrophobicContact CZ-CB 4.46Å; F24-D28 VanDerWaalsContact O-CB 3.23Å; F24-D28 WeakPolarHBondContact O-CB 3.36Å; F24-D28 PolarHBondContact O-N 3.42Å; D28-F30 PolarHBondContact O-N 3.36Å; D28-L31 PolarHBondContact O-N 3.11Å; D28-K32 VanDerWaalsContact O-CB 3.29Å; D28-K32 WeakPolarHBondContact O-CB 3.15Å; D28-K32 PolarHBondContact O-N 3.08Å
29A96.6Very high96.5Very high5 Ų559.3 Ų59.34%0.04132%0.315CS..Hα-helixtrans-63.4-41.9176.300000111.8L25 L31 K32 Y33 A55 L58L25-A29 WeakPolarHBondContact O-CB 3.23Å; L25-A29 PolarHBondContact O-N 3.28Å; A29-L31 PolarHBondContact O-N 2.99Å; A29-K32 PolarHBondContact O-N 2.91Å; A29-Y33 VanDerWaalsContact O-CD2 3.28Å; A29-Y33 WeakPolarHBondContact O-CD2 3.35Å; A29-Y33 PolarHBondContact O-N 3.44Å; A29-A55 HydrophobicContact CB-CB 4.1Å; A29-L58 HydrophobicContact CB-CB 4.41Å; A29-L58 HydrophobicContact CB-CD2 3.79Å
30F98.1Very high96.4Very high58 Ų5857 Ų5725%0.25430%0.3SS..Hα-helixtrans-58.6-52177.9-173.8-84.1000110.8F26 V27 D28 K32 Y33 E34 A51 C52 A55F26-F30 HydrophobicContact CE1-CD2 4.31Å; F26-F30 WeakPolarHBondContact O-CB 3.47Å; F26-F30 PolarHBondContact O-N 3.35Å; V27-F30 PolarHBondContact O-N 3.26Å; D28-F30 PolarHBondContact O-N 3.36Å; F30-K32 VanDerWaalsContact C-N 3.33Å; F30-K32 PolarHBondContact O-N 2.92Å; F30-Y33 PolarHBondContact O-N 3.03Å; F30-E34 HydrophobicContact CE1-CB 4.36Å; F30-E34 HydrophobicContact CE1-CG 4.38Å; F30-E34 VanDerWaalsContact O-CB 3.31Å; F30-E34 WeakPolarHBondContact O-CB 3.42Å; F30-E34 PolarHBondContact O-N 3.49Å; F30-A51 HydrophobicContact CD1-CB 4.47Å; F30-A51 HydrophobicContact CD2-CB 3.7Å; F30-A51 HydrophobicContact CE2-CB 3.78Å; F30-A51 HydrophobicContact CG-CB 4.06Å; F30-A51 HydrophobicContact CZ-CB 4.21Å; F30-A51 WeakPolarHBondContact O-CB 3.34Å; F30-C52 HydrophobicContact CE2-CB 4.4Å; F30-A55 HydrophobicContact CB-CB 4.04Å
31L97.5Very high96.2Very high93 Ų9355.2 Ų55.249%0.48728%0.282SS..Hα-helixtrans-62.1-40.3178.9-69.2176.4000111.8V27 D28 A29 Y33 E34 T35V27-L31 HydrophobicContact CG1-CD1 3.82Å; V27-L31 HydrophobicContact CG1-CG 4.21Å; V27-L31 WeakPolarHBondContact O-CB 3.41Å; V27-L31 VanDerWaalsContact O-CG 3.3Å; V27-L31 WeakPolarHBondContact O-CG 3.29Å; V27-L31 PolarHBondContact O-N 3.38Å; D28-L31 PolarHBondContact O-N 3.11Å; A29-L31 PolarHBondContact O-N 2.99Å; L31-Y33 PolarHBondContact O-N 3.42Å; L31-E34 PolarHBondContact O-N 3.13Å; L31-T35 WeakPolarHBondContact O-CB 3.37Å; L31-T35 WeakPolarHBondContact O-CG2 3.29Å; L31-T35 PolarHBondContact O-N 2.73Å; L31-T35 PolarHBondContact O-OG1 3.38Å
32K95.3Very high96Very high122 Ų12251.7 Ų51.753%0.5326%0.263SS..Hα-helixtrans-57.4-47.9175.8-178.9177.8-177.8174.20111.7D28 A29 F30 A36D28-K32 VanDerWaalsContact O-CB 3.29Å; D28-K32 WeakPolarHBondContact O-CB 3.15Å; D28-K32 PolarHBondContact O-N 3.08Å; A29-K32 PolarHBondContact O-N 2.91Å; F30-K32 VanDerWaalsContact C-N 3.33Å; F30-K32 PolarHBondContact O-N 2.92Å; K32-A36 WeakPolarHBondContact O-CB 3.44Å; K32-A36 PolarHBondContact O-N 2.92Å
33Y95.3Very high95.9Very high19 Ų1953 Ų538%0.07527%0.268CS..Hα-helixtrans-78-23.1-179.8-78.9-85.9000113.4A29 F30 L31 Y39 R43 L50 R54 Q265A29-Y33 VanDerWaalsContact O-CD2 3.28Å; A29-Y33 WeakPolarHBondContact O-CD2 3.35Å; A29-Y33 PolarHBondContact O-N 3.44Å; F30-Y33 PolarHBondContact O-N 3.03Å; L31-Y33 PolarHBondContact O-N 3.42Å; Y33-Y39 HydrophobicContact CD1-CD1 4.12Å; Y33-Y39 AromaticContact CD1-CD2 3.61Å; Y33-Y39 HydrophobicContact CD1-CD2 3.61Å; Y33-Y39 HydrophobicContact CD1-CE1 4.25Å; Y33-Y39 AromaticContact CD1-CE2 3.77Å; Y33-Y39 HydrophobicContact CD1-CE2 3.77Å; Y33-Y39 AromaticContact CD1-CG 3.85Å; Y33-Y39 HydrophobicContact CD1-CG 3.85Å; Y33-Y39 HydrophobicContact CE1-CD1 4.13Å; Y33-Y39 HydrophobicContact CE1-CD2 4.01Å; Y33-Y39 AromaticContact CE1-CE1 3.82Å; Y33-Y39 HydrophobicContact CE1-CE1 3.82Å; Y33-Y39 AromaticContact CE1-CE2 3.71Å; Y33-Y39 HydrophobicContact CE1-CE2 3.71Å; Y33-Y39 HydrophobicContact CE1-CG 4.26Å; Y33-Y39 AromaticContact CE1-CZ 3.67Å; Y33-Y39 HydrophobicContact CG-CD2 4.42Å; Y33-R43 VanDerWaalsContact O-CD 3.25Å; Y33-R43 WeakPolarHBondContact O-CD 3.35Å; Y33-R43 PolarHBondContact O-NH1 2.93Å; Y33-L50 HydrophobicContact CD1-CG 4.38Å; Y33-R54 HydrophobicContact CD1-CB 4.28Å; Y33-R54 HydrophobicContact CD1-CG 3.9Å; Y33-R54 HydrophobicContact CD2-CB 3.5Å; Y33-R54 VanDerWaalsContact CD2-CB 3.5Å; Y33-R54 HydrophobicContact CD2-CG 4.05Å; Y33-R54 HydrophobicContact CE1-CB 4.17Å; Y33-R54 HydrophobicContact CE1-CG 3.66Å; Y33-R54 HydrophobicContact CE2-CB 3.39Å; Y33-R54 HydrophobicContact CE2-CG 3.85Å; Y33-R54 HydrophobicContact CG-CB 3.95Å; Y33-R54 HydrophobicContact CG-CG 4.07Å; Y33-R54 PolarHBondContact OH-NE 2.88Å; Y33-R54 PolarHBondContact OH-NH2 3.38Å; Y33-Q265 PolarHBondContact OH-NE2 3.26Å; Y33-Q265 PolarHBondContact OH-OE1 2.85Å
34E95.6Very high95.7Very high59 Ų5953.4 Ų53.428%0.27626%0.262SS..Hα-helixtrans-78.4-34.6176.6-162.468179.900112.5F30 L31 R43 S48 A51F30-E34 HydrophobicContact CE1-CB 4.36Å; F30-E34 HydrophobicContact CE1-CG 4.38Å; F30-E34 VanDerWaalsContact O-CB 3.31Å; F30-E34 WeakPolarHBondContact O-CB 3.42Å; F30-E34 PolarHBondContact O-N 3.49Å; L31-E34 PolarHBondContact O-N 3.13Å; E34-R43 VanDerWaalsContact O-CD 3.32Å; E34-R43 WeakPolarHBondContact O-CD 3.36Å; E34-R43 PolarHBondContact O-NE 2.75Å; E34-R43 PolarHBondContact O-NH1 3.2Å; E34-S48 PolarHBondContact OE1-OG 3.49Å; E34-S48 WeakPolarHBondContact OE2-CA 3.32Å; E34-S48 WeakPolarHBondContact OE2-CB 3.36Å; E34-A51 HydrophobicContact CB-CB 4.42Å
35T94.8Very high95.5Very high95 Ų9548.1 Ų48.158%0.58324%0.239SC*.Hα-helixtrans-105.8-32-171.261.40000114.3L31 D37L31-T35 WeakPolarHBondContact O-CB 3.37Å; L31-T35 WeakPolarHBondContact O-CG2 3.29Å; L31-T35 PolarHBondContact O-N 2.73Å; L31-T35 PolarHBondContact O-OG1 3.38Å; T35-D37 PolarHBondContact O-N 2.95Å
36A94.1Very high95.4Very high31 Ų3146.9 Ų46.926%0.25623%0.233SC..  trans-64.2134.6-172.300000112.7K32 R38 Y39 R43K32-A36 WeakPolarHBondContact O-CB 3.44Å; K32-A36 PolarHBondContact O-N 2.92Å; A36-R38 PolarHBondContact O-N 3.09Å; A36-Y39 HydrophobicContact CB-CD2 4.3Å; A36-Y39 PolarHBondContact O-N 2.95Å; A36-R43 VanDerWaalsContact O-CZ 3.3Å; A36-R43 PolarHBondContact O-NH1 3.33Å; A36-R43 PolarHBondContact O-NH2 3.22Å
37D93.2Very high95.3Very high58 Ų5845.7 Ų45.731%0.3123%0.234SC..G310 helixtrans-62.6-29.7-177.6-66.6-37.8000113.1T35 Y39 Y40 H239 P240 H241T35-D37 PolarHBondContact O-N 2.95Å; D37-Y39 PolarHBondContact O-N 2.88Å; D37-Y40 WeakPolarHBondContact O-CB 3.33Å; D37-Y40 PolarHBondContact O-N 2.85Å; D37-H239 IonicContact OD2-NE2 3.61Å; D37-P240 HydrophobicContact CB-CG 4.23Å; D37-H241 IonicContact OD1-CD2 3.85Å; D37-H241 PolarHBondContact OD1-CD2 2.85Å; D37-H241 IonicContact OD1-CE1 2.9Å; D37-H241 IonicContact OD1-NE2 3.14Å; D37-H241 PolarHBondContact OD1-NE2 3.17Å
38R93.5Very high95.1Very high55 Ų5544.8 Ų44.821%0.20823%0.231CC..G310 helixtrans-52.8-30.2176.3-178.8164.4179170.4-0.7114.6A36 G229 Q230 I235 E263A36-R38 PolarHBondContact O-N 3.09Å; R38-G229 CarbonylContact O-C 2.97Å; R38-G229 WeakPolarHBondContact O-CA 3.37Å; R38-Q230 WeakPolarHBondContact CG-O 3.17Å; R38-Q230 PolarHBondContact NE-O 2.88Å; R38-Q230 PolarHBondContact O-N 3.32Å; R38-I235 HydrophobicContact CB-CD1 3.94Å; R38-I235 HydrophobicContact CG-CD1 4.27Å; R38-E263 IonicContact CZ-OE1 3.88Å; R38-E263 IonicContact NH1-OE1 3.63Å; R38-E263 IonicContact NH2-OE1 2.97Å; R38-E263 PolarHBondContact NH2-OE1 3.06Å
39Y94.2Very high95.1Very high11 Ų1142.1 Ų42.14%0.04322%0.218CC..G310 helixtrans-10712.9179.2-52.6-73.4000112.9Y33 A36 D37 Y41 T42 R43 L50 Q265Y33-Y39 HydrophobicContact CD1-CD1 4.12Å; Y33-Y39 AromaticContact CD1-CD2 3.61Å; Y33-Y39 HydrophobicContact CD1-CD2 3.61Å; Y33-Y39 HydrophobicContact CD1-CE1 4.25Å; Y33-Y39 AromaticContact CD1-CE2 3.77Å; Y33-Y39 HydrophobicContact CD1-CE2 3.77Å; Y33-Y39 AromaticContact CD1-CG 3.85Å; Y33-Y39 HydrophobicContact CD1-CG 3.85Å; Y33-Y39 HydrophobicContact CE1-CD1 4.13Å; Y33-Y39 HydrophobicContact CE1-CD2 4.01Å; Y33-Y39 AromaticContact CE1-CE1 3.82Å; Y33-Y39 HydrophobicContact CE1-CE1 3.82Å; Y33-Y39 AromaticContact CE1-CE2 3.71Å; Y33-Y39 HydrophobicContact CE1-CE2 3.71Å; Y33-Y39 HydrophobicContact CE1-CG 4.26Å; Y33-Y39 AromaticContact CE1-CZ 3.67Å; Y33-Y39 HydrophobicContact CG-CD2 4.42Å; A36-Y39 HydrophobicContact CB-CD2 4.3Å; A36-Y39 PolarHBondContact O-N 2.95Å; D37-Y39 PolarHBondContact O-N 2.88Å; Y39-Y41 PolarHBondContact O-N 2.71Å; Y39-T42 PolarHBondContact O-N 3.18Å; Y39-R43 WeakPolarHBondContact O-CB 3.5Å; Y39-R43 WeakPolarHBondContact O-CG 3.33Å; Y39-R43 PolarHBondContact O-N 3.1Å; Y39-L50 HydrophobicContact CG-CD2 4.48Å; Y39-Q265 PolarHBondContact OH-NE2 3.02Å
40Y94.4Very high95Very high30 Ų3041.9 Ų41.912%0.11822%0.216CC..Hα-helixtrans-54.7-52.6-176.2177.7-96.7000112.3D37 R43 K44 P240 H241 A244D37-Y40 WeakPolarHBondContact O-CB 3.33Å; D37-Y40 PolarHBondContact O-N 2.85Å; Y40-R43 WeakPolarHBondContact O-CB 3.39Å; Y40-R43 PolarHBondContact O-N 2.86Å; Y40-K44 HydrophobicContact CE1-CG 4.34Å; Y40-K44 PolarHBondContact O-N 2.88Å; Y40-K44 VanDerWaalsContact O-N 3.08Å; Y40-K44 WeakPolarHBondContact OH-CE 3.4Å; Y40-K44 PolarHBondContact OH-NZ 3.4Å; Y40-P240 HydrophobicContact CD1-CB 4Å; Y40-P240 HydrophobicContact CG-CB 4.2Å; Y40-H241 AromaticContact CD2-CE1 3.45Å; Y40-H241 VanDerWaalsContact CD2-CE1 3.45Å; Y40-H241 WeakPolarHBondContact CD2-CE1 3.41Å; Y40-H241 AromaticContact CD2-ND1 3.72Å; Y40-H241 AromaticContact CD2-NE2 3.72Å; Y40-H241 AromaticContact CE2-CE1 3.42Å; Y40-H241 VanDerWaalsContact CE2-CE1 3.42Å; Y40-H241 WeakPolarHBondContact CE2-CE1 3.45Å; Y40-H241 AromaticContact CE2-CG 3.88Å; Y40-H241 AromaticContact CE2-ND1 3.25Å; Y40-H241 WeakPolarHBondContact CE2-ND1 3.48Å; Y40-H241 AromaticContact CZ-ND1 3.89Å; Y40-A244 HydrophobicContact CE1-CB 3.57Å
41Y93.7Very high95Very high3 Ų339.1 Ų39.11%0.01220%0.204CC..Hα-helixtrans-65.9-41.6178.3-64.8-65.5000112.5Y39 R43 K44 I45 L137 L141 P240 A244 W250 P260 F262Y39-Y41 PolarHBondContact O-N 2.71Å; Y41-R43 VanDerWaalsContact C-N 3.28Å; Y41-R43 PolarHBondContact O-N 3.26Å; Y41-K44 WeakPolarHBondContact O-CB 3.35Å; Y41-K44 PolarHBondContact O-N 3.29Å; Y41-K44 VanDerWaalsContact O-N 3.08Å; Y41-I45 PolarHBondContact O-N 2.6Å; Y41-L137 HydrophobicContact CE1-CD1 4.47Å; Y41-L141 HydrophobicContact CD1-CD1 3.83Å; Y41-L141 HydrophobicContact CD1-CD2 4.06Å; Y41-L141 HydrophobicContact CG-CD1 4.35Å; Y41-L141 HydrophobicContact CG-CD2 4.24Å; Y41-P240 HydrophobicContact CE2-CB 3.88Å; Y41-P240 PolarHBondContact OH-O 2.99Å; Y41-P240 VanDerWaalsContact OH-O 3.11Å; Y41-A244 HydrophobicContact CE1-CB 3.76Å; Y41-A244 PolarHBondContact OH-N 3.28Å; Y41-W250 HydrophobicContact CD1-CH2 4.49Å; Y41-W250 AromaticContact CE1-CH2 3.92Å; Y41-W250 HydrophobicContact CE1-CH2 3.92Å; Y41-W250 AromaticContact CE1-CZ2 3.83Å; Y41-W250 HydrophobicContact CE1-CZ2 3.83Å; Y41-P260 HydrophobicContact CD2-CB 3.96Å; Y41-P260 HydrophobicContact CD2-CG 4.23Å; Y41-P260 HydrophobicContact CE2-CB 3.7Å; Y41-P260 HydrophobicContact CE2-CG 4.04Å; Y41-F262 HydrophobicContact CD2-CE1 4.15Å; Y41-F262 HydrophobicContact CD2-CZ 4.1Å; Y41-F262 HydrophobicContact CG-CE1 4.36Å; Y41-F262 HydrophobicContact CG-CZ 4.14Å
42T93.9Very high95Very high0 Ų036.2 Ų36.20%019%0.191CC..Hα-helixtrans-59-40.5174.8-38.30000111.4Y39 I45 L46 L50 L155 R228Y39-T42 PolarHBondContact O-N 3.18Å; T42-I45 PolarHBondContact O-N 2.02Å; T42-L46 HydrophobicContact CG2-CD1 4.1Å; T42-L46 HydrophobicContact CG2-CG 4.48Å; T42-L46 WeakPolarHBondContact O-CB 3.05Å; T42-L46 PolarHBondContact O-N 3.03Å; T42-L50 HydrophobicContact CG2-CD1 4.49Å; T42-L50 HydrophobicContact CG2-CD2 3.77Å; T42-L155 HydrophobicContact CG2-CD1 4.07Å; T42-R228 WeakPolarHBondContact CG2-O 3.02Å; T42-R228 PolarHBondContact OG1-O 3.28Å
43R95.3Very high95Very high31 Ų3130.4 Ų30.412%0.11717%0.166CC..Hα-helixtrans-68.4-28.2175.3-77.4-166.4-60.9-87.73.5113.3Y33 E34 A36 Y39 Y40 Y41 I45 G47 L50Y33-R43 VanDerWaalsContact O-CD 3.25Å; Y33-R43 WeakPolarHBondContact O-CD 3.35Å; Y33-R43 PolarHBondContact O-NH1 2.93Å; E34-R43 VanDerWaalsContact O-CD 3.32Å; E34-R43 WeakPolarHBondContact O-CD 3.36Å; E34-R43 PolarHBondContact O-NE 2.75Å; E34-R43 PolarHBondContact O-NH1 3.2Å; A36-R43 VanDerWaalsContact O-CZ 3.3Å; A36-R43 PolarHBondContact O-NH1 3.33Å; A36-R43 PolarHBondContact O-NH2 3.22Å; Y39-R43 WeakPolarHBondContact O-CB 3.5Å; Y39-R43 WeakPolarHBondContact O-CG 3.33Å; Y39-R43 PolarHBondContact O-N 3.1Å; Y40-R43 WeakPolarHBondContact O-CB 3.39Å; Y40-R43 PolarHBondContact O-N 2.86Å; Y41-R43 VanDerWaalsContact C-N 3.28Å; Y41-R43 PolarHBondContact O-N 3.26Å; R43-I45 PolarHBondContact O-N 3.43Å; R43-G47 WeakPolarHBondContact O-CA 3.25Å; R43-G47 PolarHBondContact O-N 3.17Å; R43-L50 HydrophobicContact CG-CD2 4.06Å
44K94.4Very high95.1Very high102 Ų10232.3 Ų32.344%0.44317%0.173SC..Hα-helixtrans-64-32173.6-69.8-65.5-176.8175.80111.9Y40 Y41 L137 V138Y40-K44 HydrophobicContact CE1-CG 4.34Å; Y40-K44 PolarHBondContact O-N 2.88Å; Y40-K44 VanDerWaalsContact O-N 3.08Å; Y40-K44 WeakPolarHBondContact OH-CE 3.4Å; Y40-K44 PolarHBondContact OH-NZ 3.4Å; Y41-K44 WeakPolarHBondContact O-CB 3.35Å; Y41-K44 PolarHBondContact O-N 3.29Å; Y41-K44 VanDerWaalsContact O-N 3.08Å; K44-L137 HydrophobicContact CG-CD2 4.46Å; K44-V138 HydrophobicContact CB-CG2 4.26Å
45I94.5Very high95.2Very high11 Ų1129.5 Ų29.56%0.05616%0.16CC..Hα-helixtrans-82.6-52.3174.2-53.9-179.9000110.6Y41 T42 R43 Y126 S129 V138 L141 L155Y41-I45 PolarHBondContact O-N 2.6Å; T42-I45 PolarHBondContact O-N 2.02Å; R43-I45 PolarHBondContact O-N 3.43Å; I45-Y126 HydrophobicContact CG2-CD1 3.76Å; I45-Y126 HydrophobicContact CG2-CE1 4Å; I45-S129 WeakPolarHBondContact CG2-OG 3.45Å; I45-V138 HydrophobicContact CG1-CG1 4.27Å; I45-L141 HydrophobicContact CD1-CB 4.08Å; I45-L155 HydrophobicContact CD1-CD2 3.64Å; I45-L155 HydrophobicContact CD1-CG 4.05Å
46L95.6Very high95.3Very high1 Ų125 Ų251%0.00513%0.132CC..Hα-helixtrans-94-14-167.2-66.2-168.5000114.9T42 T49 L50 N122 R125 Y126T42-L46 HydrophobicContact CG2-CD1 4.1Å; T42-L46 HydrophobicContact CG2-CG 4.48Å; T42-L46 WeakPolarHBondContact O-CB 3.05Å; T42-L46 PolarHBondContact O-N 3.03Å; L46-T49 PolarHBondContact O-OG1 3.24Å; L46-L50 HydrophobicContact CB-CB 3.92Å; L46-L50 HydrophobicContact CD1-CB 4.08Å; L46-L50 HydrophobicContact CD1-CD1 4.07Å; L46-N122 HydrophobicContact CD1-CB 4.22Å; L46-N122 HydrophobicContact CD2-CB 3.84Å; L46-N122 WeakPolarHBondContact CD2-O 3.22Å; L46-R125 HydrophobicContact CD2-CB 4.13Å; L46-R125 WeakPolarHBondContact O-CD 3.46Å; L46-R125 PolarHBondContact O-NH1 2.96Å; L46-Y126 HydrophobicContact CD1-CE1 4.36Å; L46-Y126 HydrophobicContact CD1-CE2 3.92Å; L46-Y126 WeakPolarHBondContact CD1-OH 3.28Å; L46-Y126 HydrophobicContact CD2-CD1 3.96Å; L46-Y126 HydrophobicContact CD2-CD2 3.88Å; L46-Y126 HydrophobicContact CD2-CE1 3.76Å; L46-Y126 HydrophobicContact CD2-CE2 3.71Å; L46-Y126 HydrophobicContact CD2-CG 4.02Å; L46-Y126 HydrophobicContact CG-CE1 4.04Å; L46-Y126 HydrophobicContact CG-CE2 4.25Å
47G94.8Very high95.4Very high24 Ų2424.3 Ų24.325%0.24713%0.127CC..THydrogen-bonded Turntrans51.4-153.4-171.800000113.7R43 T49 L50R43-G47 WeakPolarHBondContact O-CA 3.25Å; R43-G47 PolarHBondContact O-N 3.17Å; G47-T49 PolarHBondContact O-N 3.38Å; G47-T49 VanDerWaalsContact O-N 3.15Å; G47-L50 PolarHBondContact O-N 3.09Å
48S95.6Very high95.6Very high53 Ų5323.5 Ų23.537%0.37112%0.122SC..Hα-helixtrans-71.6-5.8-176.9-37.90000114.5E34 L50 A51 C52E34-S48 PolarHBondContact OE1-OG 3.49Å; E34-S48 WeakPolarHBondContact OE2-CA 3.32Å; E34-S48 WeakPolarHBondContact OE2-CB 3.36Å; S48-L50 PolarHBondContact O-N 2.97Å; S48-A51 PolarHBondContact O-N 3.5Å; S48-C52 PolarHBondContact O-N 3.45Å
49T96.1Very high95.8Very high23 Ų2320.9 Ų20.914%0.14111%0.112CC..Hα-helixtrans-72-21.9174.153.40000111.8L46 G47 A53 F121 N122 R125L46-T49 PolarHBondContact O-OG1 3.24Å; G47-T49 PolarHBondContact O-N 3.38Å; G47-T49 VanDerWaalsContact O-N 3.15Å; T49-A53 WeakPolarHBondContact O-CB 3.4Å; T49-A53 PolarHBondContact O-N 3.45Å; T49-F121 HydrophobicContact CG2-CB 3.92Å; T49-F121 HydrophobicContact CG2-CG 4.41Å; T49-N122 VanDerWaalsContact CB-OD1 3.26Å; T49-N122 WeakPolarHBondContact CB-OD1 3.39Å; T49-N122 PolarHBondContact O-ND2 3.33Å; T49-N122 PolarHBondContact OG1-OD1 2.74Å; T49-R125 PolarHBondContact OG1-NH1 3.29Å; T49-R125 VanDerWaalsContact OG1-NH1 3.14Å
50L95.8Very high95.9Very high0 Ų020.9 Ų20.90%011%0.113CC..Hα-helixtrans-60.3-53.5165.717362.2000110.8Y33 Y39 T42 R43 L46 G47 S48 C52 A53 R54 N122 V227Y33-L50 HydrophobicContact CD1-CG 4.38Å; Y39-L50 HydrophobicContact CG-CD2 4.48Å; T42-L50 HydrophobicContact CG2-CD1 4.49Å; T42-L50 HydrophobicContact CG2-CD2 3.77Å; R43-L50 HydrophobicContact CG-CD2 4.06Å; L46-L50 HydrophobicContact CB-CB 3.92Å; L46-L50 HydrophobicContact CD1-CB 4.08Å; L46-L50 HydrophobicContact CD1-CD1 4.07Å; G47-L50 PolarHBondContact O-N 3.09Å; S48-L50 PolarHBondContact O-N 2.97Å; L50-C52 VanDerWaalsContact C-N 3.32Å; L50-C52 PolarHBondContact O-N 2.92Å; L50-A53 PolarHBondContact O-N 3.5Å; L50-R54 HydrophobicContact CD1-CG 4.09Å; L50-R54 WeakPolarHBondContact O-CG 3.32Å; L50-R54 PolarHBondContact O-N 2.84Å; L50-N122 PolarHBondContact N-OD1 3.45Å; L50-V227 HydrophobicContact CD1-CG1 3.55Å; L50-V227 HydrophobicContact CD1-CG2 4.49Å
51A97.1Very high96Very high0 Ų020 Ų200%011%0.11CC..Hα-helixtrans-60.2-42.9-179.300000111.4F30 E34 S48 A53 R54 A55F30-A51 HydrophobicContact CD1-CB 4.47Å; F30-A51 HydrophobicContact CD2-CB 3.7Å; F30-A51 HydrophobicContact CE2-CB 3.78Å; F30-A51 HydrophobicContact CG-CB 4.06Å; F30-A51 HydrophobicContact CZ-CB 4.21Å; F30-A51 WeakPolarHBondContact O-CB 3.34Å; E34-A51 HydrophobicContact CB-CB 4.42Å; S48-A51 PolarHBondContact O-N 3.5Å; A51-A53 PolarHBondContact O-N 3.03Å; A51-R54 PolarHBondContact O-N 3.38Å; A51-A55 WeakPolarHBondContact O-CB 2.99Å; A51-A55 PolarHBondContact O-N 2.89Å
52C97.8Very high96.2Very high33 Ų3320.8 Ų20.822%0.22311%0.113CC..Hα-helixtrans-61.3-44.5176.2-1690000113F30 S48 L50 R54 S56 I114 A118F30-C52 HydrophobicContact CE2-CB 4.4Å; S48-C52 PolarHBondContact O-N 3.45Å; L50-C52 VanDerWaalsContact C-N 3.32Å; L50-C52 PolarHBondContact O-N 2.92Å; C52-R54 VanDerWaalsContact C-N 3.34Å; C52-R54 PolarHBondContact O-N 2.73Å; C52-S56 WeakPolarHBondContact O-CB 3.49Å; C52-S56 PolarHBondContact O-N 3.42Å; C52-S56 PolarHBondContact O-OG 3.05Å; C52-I114 WeakPolarHBondContact SG-CG2 3.2Å; C52-A118 HydrophobicContact CB-CB 4.18Å
53A96.5Very high96.4Very high0 Ų020.8 Ų20.80%011%0.113CC..Hα-helixtrans-62.9-40.4178.100000111.8T49 L50 A51 S56 A57 H115 A118T49-A53 WeakPolarHBondContact O-CB 3.4Å; T49-A53 PolarHBondContact O-N 3.45Å; L50-A53 PolarHBondContact O-N 3.5Å; A51-A53 PolarHBondContact O-N 3.03Å; A53-S56 PolarHBondContact O-OG 2.83Å; A53-A57 WeakPolarHBondContact O-CB 3.33Å; A53-A57 PolarHBondContact O-N 3.42Å; A53-A57 VanDerWaalsContact O-N 3.1Å; A53-H115 PolarHBondContact O-ND1 3Å; A53-A118 HydrophobicContact CB-CB 3.74Å
54R95.7Very high96.4Very high59 Ų5919.3 Ų19.322%0.22311%0.108CC..Hα-helixtrans-77.4-37.9-179-61.1-56.8-65.2175.1-3.3113Y33 L50 A51 C52 A57 L58Y33-R54 HydrophobicContact CD1-CB 4.28Å; Y33-R54 HydrophobicContact CD1-CG 3.9Å; Y33-R54 HydrophobicContact CD2-CB 3.5Å; Y33-R54 VanDerWaalsContact CD2-CB 3.5Å; Y33-R54 HydrophobicContact CD2-CG 4.05Å; Y33-R54 HydrophobicContact CE1-CB 4.17Å; Y33-R54 HydrophobicContact CE1-CG 3.66Å; Y33-R54 HydrophobicContact CE2-CB 3.39Å; Y33-R54 HydrophobicContact CE2-CG 3.85Å; Y33-R54 HydrophobicContact CG-CB 3.95Å; Y33-R54 HydrophobicContact CG-CG 4.07Å; Y33-R54 PolarHBondContact OH-NE 2.88Å; Y33-R54 PolarHBondContact OH-NH2 3.38Å; L50-R54 HydrophobicContact CD1-CG 4.09Å; L50-R54 WeakPolarHBondContact O-CG 3.32Å; L50-R54 PolarHBondContact O-N 2.84Å; A51-R54 PolarHBondContact O-N 3.38Å; C52-R54 VanDerWaalsContact C-N 3.34Å; C52-R54 PolarHBondContact O-N 2.73Å; R54-A57 PolarHBondContact O-N 2.89Å; R54-L58 PolarHBondContact O-N 3.03Å
55A97.6Very high96.4Very high0 Ų016.8 Ų16.80%010%0.098CC..Hα-helixtrans-62.2-48174.500000111.8F26 A29 F30 A51 A57 L58 C59F26-A55 HydrophobicContact CD1-CB 4.21Å; F26-A55 HydrophobicContact CD2-CB 3.66Å; F26-A55 HydrophobicContact CE1-CB 4.22Å; F26-A55 HydrophobicContact CE2-CB 3.68Å; F26-A55 HydrophobicContact CG-CB 3.94Å; F26-A55 HydrophobicContact CZ-CB 3.97Å; F26-A55 VanDerWaalsContact O-CB 3.29Å; F26-A55 WeakPolarHBondContact O-CB 3.18Å; A29-A55 HydrophobicContact CB-CB 4.1Å; F30-A55 HydrophobicContact CB-CB 4.04Å; A51-A55 WeakPolarHBondContact O-CB 2.99Å; A51-A55 PolarHBondContact O-N 2.89Å; A55-A57 VanDerWaalsContact C-N 3.34Å; A55-A57 PolarHBondContact O-N 2.59Å; A55-L58 PolarHBondContact O-N 2.86Å; A55-C59 PolarHBondContact O-N 3.18Å; A55-C59 PolarHBondContact O-SG 2.74Å
56S97.9Very high96.5Very high0 Ų017.6 Ų17.60%010%0.103CC..Hα-helixtrans-63.5-37.2175.252.60000112.8C52 A53 L58 C59 L60 H115C52-S56 WeakPolarHBondContact O-CB 3.49Å; C52-S56 PolarHBondContact O-N 3.42Å; C52-S56 PolarHBondContact O-OG 3.05Å; A53-S56 PolarHBondContact O-OG 2.83Å; S56-L58 PolarHBondContact O-N 3.02Å; S56-C59 PolarHBondContact O-N 2.68Å; S56-L60 WeakPolarHBondContact O-CG 3.08Å; S56-L60 PolarHBondContact O-N 2.86Å; S56-H115 WeakPolarHBondContact OG-CA 3.25Å; S56-H115 WeakPolarHBondContact OG-CB 3.34Å
57A96.2Very high96.5Very high17 Ų1718.5 Ų18.514%0.1411%0.107CC..Hα-helixtrans-62.6-39.5174.700000113A53 R54 A55 L60 N61A53-A57 WeakPolarHBondContact O-CB 3.33Å; A53-A57 PolarHBondContact O-N 3.42Å; A53-A57 VanDerWaalsContact O-N 3.1Å; R54-A57 PolarHBondContact O-N 2.89Å; A55-A57 VanDerWaalsContact C-N 3.34Å; A55-A57 PolarHBondContact O-N 2.59Å; A57-L60 WeakPolarHBondContact O-CB 3.16Å; A57-L60 PolarHBondContact O-N 2.95Å; A57-N61 PolarHBondContact O-N 3.01Å
58L96.6Very high96.4Very high40 Ų4018 Ų1821%0.20910%0.099CC..Hα-helixtrans-65.3-43.1175.9-176.261000111.5L25 A29 R54 A55 S56 L60 N61 F62 W272L25-L58 HydrophobicContact CB-CD2 4.22Å; L25-L58 HydrophobicContact CB-CG 4.49Å; L25-L58 HydrophobicContact CD2-CD2 4.13Å; A29-L58 HydrophobicContact CB-CB 4.41Å; A29-L58 HydrophobicContact CB-CD2 3.79Å; R54-L58 PolarHBondContact O-N 3.03Å; A55-L58 PolarHBondContact O-N 2.86Å; S56-L58 PolarHBondContact O-N 3.02Å; L58-L60 VanDerWaalsContact C-N 3.31Å; L58-L60 PolarHBondContact O-N 3.15Å; L58-N61 WeakPolarHBondContact O-CB 3.44Å; L58-N61 PolarHBondContact O-N 3.42Å; L58-F62 PolarHBondContact O-N 3.03Å; L58-W272 HydrophobicContact CD1-CH2 4.48Å; L58-W272 HydrophobicContact CD1-CZ2 3.72Å
59C97.9Very high96.2Very high0 Ų018.1 Ų18.10%010%0.095CC..Hα-helixtrans-64.8-35.4174.8-62.50000112.3N22 A55 S56 F62 N63 H111N22-C59 PolarHBondContact O-SG 3.44Å; A55-C59 PolarHBondContact O-N 3.18Å; A55-C59 PolarHBondContact O-SG 2.74Å; S56-C59 PolarHBondContact O-N 2.68Å; C59-F62 PolarHBondContact O-N 2.99Å; C59-N63 PolarHBondContact O-N 3.48Å; C59-N63 PolarHBondContact O-ND2 3.29Å; C59-H111 HydrophobicContact CB-CB 4.49Å; C59-H111 VanDerWaalsContact CB-CD2 3.42Å; C59-H111 WeakPolarHBondContact CB-CD2 3.29Å; C59-H111 WeakPolarHBondContact CB-NE2 3.36Å
60L97.1Very high96Very high11 Ų1117.4 Ų17.46%0.0589%0.091CC..Hα-helixtrans-61.1-46.6172.3-77.5168.9000111.5S56 A57 L58 F62 N63 S64 I108 H111 T112 H115S56-L60 WeakPolarHBondContact O-CG 3.08Å; S56-L60 PolarHBondContact O-N 2.86Å; A57-L60 WeakPolarHBondContact O-CB 3.16Å; A57-L60 PolarHBondContact O-N 2.95Å; L58-L60 VanDerWaalsContact C-N 3.31Å; L58-L60 PolarHBondContact O-N 3.15Å; L60-F62 PolarHBondContact O-N 3Å; L60-N63 PolarHBondContact O-N 3.19Å; L60-S64 WeakPolarHBondContact O-CB 3.45Å; L60-S64 PolarHBondContact O-N 2.82Å; L60-S64 PolarHBondContact O-OG 3.35Å; L60-I108 HydrophobicContact CD2-CB 4.46Å; L60-I108 HydrophobicContact CD2-CG2 4.01Å; L60-I108 WeakPolarHBondContact CD2-O 3.16Å; L60-H111 HydrophobicContact CD2-CB 3.88Å; L60-H111 HydrophobicContact CG-CB 3.77Å; L60-T112 WeakPolarHBondContact CD2-OG1 3.39Å; L60-H115 HydrophobicContact CD1-CB 3.99Å
61N96.3Very high95.8Very high11 Ų1119.2 Ų19.26%0.05910%0.102CC..Hα-helixtrans-59-46.4176.2-74.8-16.8000111.8A57 L58 S64 M65 S269 W272A57-N61 PolarHBondContact O-N 3.01Å; L58-N61 WeakPolarHBondContact O-CB 3.44Å; L58-N61 PolarHBondContact O-N 3.42Å; N61-S64 PolarHBondContact O-N 2.91Å; N61-M65 PolarHBondContact O-N 2.69Å; N61-S269 VanDerWaalsContact CG-OG 3.3Å; N61-S269 PolarHBondContact ND2-OG 3.25Å; N61-S269 VanDerWaalsContact ND2-OG 3.08Å; N61-S269 WeakPolarHBondContact OD1-CB 3.33Å; N61-S269 PolarHBondContact OD1-OG 3.45Å; N61-W272 HydrophobicContact CB-CB 4.15Å; N61-W272 HydrophobicContact CB-CD2 4.03Å; N61-W272 HydrophobicContact CB-CG 3.71Å
62F97.4Very high95.4Very high20 Ų2019.2 Ų19.29%0.08810%0.102CC..Hα-helixtrans-60.1-48.9177.8173.8-115.4000112.6W18 L21 L25 L58 C59 L60 M65 L66 W272W18-F62 AromaticContact CD1-CE1 3.77Å; L21-F62 HydrophobicContact CB-CE1 4.28Å; L21-F62 HydrophobicContact CB-CZ 4.14Å; L21-F62 HydrophobicContact CD1-CZ 4.13Å; L25-F62 HydrophobicContact CD1-CB 3.83Å; L25-F62 HydrophobicContact CD1-CD1 3.99Å; L25-F62 HydrophobicContact CD1-CD2 4.05Å; L25-F62 HydrophobicContact CD1-CG 3.69Å; L58-F62 PolarHBondContact O-N 3.03Å; C59-F62 PolarHBondContact O-N 2.99Å; L60-F62 PolarHBondContact O-N 3Å; F62-M65 HydrophobicContact CD2-CE 3.86Å; F62-M65 HydrophobicContact CE2-CE 4.01Å; F62-M65 WeakPolarHBondContact O-CB 3.18Å; F62-M65 PolarHBondContact O-N 2.77Å; F62-L66 HydrophobicContact CD1-CD1 4.45Å; F62-L66 HydrophobicContact CD2-CD1 4.49Å; F62-L66 HydrophobicContact CE1-CD1 3.9Å; F62-L66 HydrophobicContact CE2-CD1 3.94Å; F62-L66 HydrophobicContact CE2-CG 4.49Å; F62-L66 HydrophobicContact CZ-CD1 3.62Å; F62-L66 WeakPolarHBondContact O-CG 3.3Å; F62-L66 PolarHBondContact O-N 2.88Å; F62-W272 HydrophobicContact CB-CZ3 4.25Å; F62-W272 HydrophobicContact CD2-CZ3 4.06Å
63N97.9Very high94.7Very high0 Ų021.1 Ų21.10%010%0.104CC..Hα-helixtrans-72-32.3-179.5-71-72000112.4W18 N22 C59 L60 M65 L66 I67 V104 M107 I108W18-N63 PolarHBondContact NE1-OD1 3.2Å; W18-N63 VanDerWaalsContact NE1-OD1 3.11Å; N22-N63 PolarHBondContact OD1-ND2 2.9Å; C59-N63 PolarHBondContact O-N 3.48Å; C59-N63 PolarHBondContact O-ND2 3.29Å; L60-N63 PolarHBondContact O-N 3.19Å; N63-M65 VanDerWaalsContact C-N 3.33Å; N63-L66 PolarHBondContact O-N 2.77Å; N63-L66 VanDerWaalsContact O-N 3.11Å; N63-I67 PolarHBondContact O-N 3.08Å; N63-V104 HydrophobicContact CB-CG1 3.87Å; N63-V104 VanDerWaalsContact O-CG1 3.22Å; N63-V104 WeakPolarHBondContact O-CG1 3.49Å; N63-M107 WeakPolarHBondContact ND2-CG 3.42Å; N63-I108 HydrophobicContact CB-CD1 4.26Å; N63-I108 HydrophobicContact CB-CG1 3.65Å
64S95.9Very high94.1Very high1 Ų122 Ų221%0.00711%0.11CC..Hα-helixtrans-69.7-30.5175.8-58.30000112.4L60 N61 L66 I67 Y214 L218L60-S64 WeakPolarHBondContact O-CB 3.45Å; L60-S64 PolarHBondContact O-N 2.82Å; L60-S64 PolarHBondContact O-OG 3.35Å; N61-S64 PolarHBondContact O-N 2.91Å; S64-L66 VanDerWaalsContact C-N 3.27Å; S64-L66 PolarHBondContact O-N 2.57Å; S64-I67 WeakPolarHBondContact O-CG2 3.47Å; S64-Y214 PolarHBondContact OG-OH 2.61Å; S64-L218 WeakPolarHBondContact OG-CD2 3.04Å
65M95.4Very high93.5Very high48 Ų4821.9 Ų21.924%0.23611%0.114CC..Hα-helixtrans-61.1-39.5168.1175.6-172.774.500111.1N61 F62 N63 W272 P276N61-M65 PolarHBondContact O-N 2.69Å; F62-M65 HydrophobicContact CD2-CE 3.86Å; F62-M65 HydrophobicContact CE2-CE 4.01Å; F62-M65 WeakPolarHBondContact O-CB 3.18Å; F62-M65 PolarHBondContact O-N 2.77Å; N63-M65 VanDerWaalsContact C-N 3.33Å; M65-W272 HydrophobicContact CB-CB 4.39Å; M65-W272 HydrophobicContact CB-CE3 4.38Å; M65-W272 WeakPolarHBondContact CB-O 3.39Å; M65-W272 HydrophobicContact CE-CE3 4.32Å; M65-W272 HydrophobicContact CE-CZ3 4.3Å; M65-W272 VanDerWaalsContact CG-O 3.23Å; M65-W272 WeakPolarHBondContact CG-O 3.21Å; M65-W272 HydrophobicContact SD-CE3 3.78Å; M65-W272 HydrophobicContact SD-CZ3 4.22Å; M65-P276 HydrophobicContact CB-CG 4.25Å; M65-P276 HydrophobicContact CG-CG 3.53Å; M65-P276 WeakPolarHBondContact O-CB 3.15Å; M65-P276 WeakPolarHBondContact O-CG 3.25Å
66L95.4Very high92.8Very high28 Ų2823 Ų2315%0.14712%0.119CC..Hα-helixtrans-81.9-24.7-175.1-63.6177.1000114F62 N63 S64 L68 L69 P70 F100 V104F62-L66 HydrophobicContact CD1-CD1 4.45Å; F62-L66 HydrophobicContact CD2-CD1 4.49Å; F62-L66 HydrophobicContact CE1-CD1 3.9Å; F62-L66 HydrophobicContact CE2-CD1 3.94Å; F62-L66 HydrophobicContact CE2-CG 4.49Å; F62-L66 HydrophobicContact CZ-CD1 3.62Å; F62-L66 WeakPolarHBondContact O-CG 3.3Å; F62-L66 PolarHBondContact O-N 2.88Å; N63-L66 PolarHBondContact O-N 2.77Å; N63-L66 VanDerWaalsContact O-N 3.11Å; S64-L66 VanDerWaalsContact C-N 3.27Å; S64-L66 PolarHBondContact O-N 2.57Å; L66-L68 VanDerWaalsContact C-N 3.31Å; L66-L68 PolarHBondContact O-N 3.36Å; L66-L69 HydrophobicContact CD2-CD1 4.24Å; L66-L69 PolarHBondContact O-N 3.27Å; L66-P70 WeakPolarHBondContact O-CD 2.94Å; L66-F100 HydrophobicContact CD1-CZ 4.46Å; L66-V104 HydrophobicContact CB-CG1 4.37Å
67I95.7Very high91.8Very high20 Ų2024.6 Ų24.610%0.10313%0.131CC..SBendtrans-63.9-30.4-166.4-16563.1000114.6N63 S64 H101 V104 A105 I108N63-I67 PolarHBondContact O-N 3.08Å; S64-I67 WeakPolarHBondContact O-CG2 3.47Å; I67-H101 WeakPolarHBondContact CD1-ND1 3.48Å; I67-H101 WeakPolarHBondContact CD1-O 2.94Å; I67-H101 PolarHBondContact O-ND1 3.17Å; I67-V104 HydrophobicContact CB-CG1 4.13Å; I67-V104 HydrophobicContact CD1-CB 3.9Å; I67-V104 HydrophobicContact CD1-CG1 3.74Å; I67-A105 HydrophobicContact CD1-CB 4.12Å; I67-I108 HydrophobicContact CB-CD1 4.11Å; I67-I108 HydrophobicContact CD1-CD1 4.29Å; I67-I108 HydrophobicContact CG1-CD1 4.17Å
68L93.6Very high91.1Very high15 Ų1530.1 Ų30.18%0.07915%0.152CC..SBendtrans-80.5-31.9-177.9-64.4179.2000112.8L66 V71 C72 F211 V277 Y280L66-L68 VanDerWaalsContact C-N 3.31Å; L66-L68 PolarHBondContact O-N 3.36Å; L68-V71 PolarHBondContact O-N 2.87Å; L68-V71 VanDerWaalsContact O-N 3.14Å; L68-C72 PolarHBondContact O-N 2.89Å; L68-C72 PolarHBondContact O-SG 2.78Å; L68-F211 HydrophobicContact CD2-CD2 4.24Å; L68-F211 HydrophobicContact CD2-CE2 4.23Å; L68-V277 HydrophobicContact CD1-CG2 3.99Å; L68-Y280 HydrophobicContact CD1-CG 4.46Å
69L91.4Very high90.1Very high54 Ų5431.8 Ų31.828%0.28316%0.161SC..G310 helixtrans-60.1-43.4-173.2-56.3175.9000113.4L66 V71 C72 P276 L279L66-L69 HydrophobicContact CD2-CD1 4.24Å; L66-L69 PolarHBondContact O-N 3.27Å; L69-V71 PolarHBondContact O-N 3.46Å; L69-C72 WeakPolarHBondContact O-CB 3.42Å; L69-C72 PolarHBondContact O-N 3.28Å; L69-P276 HydrophobicContact CD2-CB 4.4Å; L69-L279 HydrophobicContact CD2-CD1 4.18Å
70P91.3Very high88.9Confident8 Ų832.3 Ų32.35%0.05216%0.163CC..G310 helixtrans-70.9-13.1-179-16.229.2000113.8L66 L76 N97 F100 H101L66-P70 WeakPolarHBondContact O-CD 2.94Å; P70-L76 VanDerWaalsContact O-CD1 3.27Å; P70-L76 WeakPolarHBondContact O-CD1 3.33Å; P70-N97 HydrophobicContact CB-CB 3.92Å; P70-N97 VanDerWaalsContact CB-O 3.23Å; P70-N97 WeakPolarHBondContact CB-O 3.21Å; P70-N97 WeakPolarHBondContact O-CB 3.43Å; P70-N97 PolarHBondContact O-ND2 3.23Å; P70-F100 HydrophobicContact CG-CD1 3.75Å; P70-F100 HydrophobicContact CG-CE1 4.29Å; P70-H101 HydrophobicContact CB-CB 4.08Å; P70-H101 HydrophobicContact CG-CB 4.37Å
71V90.5Very high87.4Confident38 Ų3834.3 Ų34.323%0.2319%0.186CC..G310 helixtrans-94.6-10.9178.8-163.80000111.3L68 L69 R73 H101L68-V71 PolarHBondContact O-N 2.87Å; L68-V71 VanDerWaalsContact O-N 3.14Å; L69-V71 PolarHBondContact O-N 3.46Å; V71-R73 VanDerWaalsContact C-N 3.31Å; V71-R73 PolarHBondContact O-N 2.77Å; V71-H101 VanDerWaalsContact CG2-ND1 3.32Å; V71-H101 WeakPolarHBondContact CG2-ND1 3.39Å
72C89.3Confident86Confident0 Ų038.2 Ų38.20%021%0.211CC..  trans-74.475177.2-67.10000111.4L68 L69 S74 L75 L76 E283L68-C72 PolarHBondContact O-N 2.89Å; L68-C72 PolarHBondContact O-SG 2.78Å; L69-C72 WeakPolarHBondContact O-CB 3.42Å; L69-C72 PolarHBondContact O-N 3.28Å; C72-S74 VanDerWaalsContact C-N 3.32Å; C72-S74 PolarHBondContact O-N 3.48Å; C72-L75 HydrophobicContact CB-CB 3.93Å; C72-L75 HydrophobicContact CB-CD2 4.28Å; C72-L75 PolarHBondContact O-N 3.45Å; C72-L76 VanDerWaalsContact O-CG 3.25Å; C72-L76 WeakPolarHBondContact O-CG 3.47Å; C72-L76 PolarHBondContact O-N 3.31Å; C72-E283 VanDerWaalsContact C-CD 3.43Å; C72-E283 VanDerWaalsContact CA-OE1 3.29Å; C72-E283 WeakPolarHBondContact CA-OE1 3.27Å; C72-E283 WeakPolarHBondContact CA-OE2 3.45Å; C72-E283 WeakPolarHBondContact CB-OE2 3.4Å
73R83.4Confident84Confident74 Ų7438.7 Ų38.728%0.27922%0.216SC..Hα-helixtrans-66.2-28.7-172.7-35.4177.6167118.5-4.5113.8V71 S77 E283 F385V71-R73 VanDerWaalsContact C-N 3.31Å; V71-R73 PolarHBondContact O-N 2.77Å; R73-S77 VanDerWaalsContact O-CB 3.29Å; R73-S77 WeakPolarHBondContact O-CB 3.33Å; R73-S77 PolarHBondContact O-N 3.26Å; R73-S77 PolarHBondContact O-OG 3.25Å; R73-E283 PolarHBondContact N-OE1 2.8Å; R73-E283 PolarHBondContact N-OE2 2.79Å; R73-F385 HydrophobicContact CB-CD1 3.92Å; R73-F385 HydrophobicContact CB-CE1 4.15Å
74S83.3Confident81.8Confident18 Ų1843.1 Ų43.113%0.12625%0.247CC..Hα-helixtrans-69.3-44.5176.2-64.10000110.1C72 S77 F78 E283C72-S74 VanDerWaalsContact C-N 3.32Å; C72-S74 PolarHBondContact O-N 3.48Å; S74-S77 PolarHBondContact O-N 3.09Å; S74-F78 WeakPolarHBondContact O-CB 3.27Å; S74-F78 PolarHBondContact O-N 3.41Å; S74-E283 PolarHBondContact N-OE1 3.5Å; S74-E283 PolarHBondContact N-OE2 2.8Å
75L84.2Confident79.2Confident56 Ų5653.1 Ų53.129%0.29329%0.291SS..Hα-helixtrans-60.6-45.8173.4177.761.9000111.5C72 S77 F78 L79 E283C72-L75 HydrophobicContact CB-CB 3.93Å; C72-L75 HydrophobicContact CB-CD2 4.28Å; C72-L75 PolarHBondContact O-N 3.45Å; L75-S77 VanDerWaalsContact C-N 3.35Å; L75-S77 PolarHBondContact O-N 2.95Å; L75-F78 PolarHBondContact O-N 2.89Å; L75-L79 HydrophobicContact CD1-CD1 4.22Å; L75-L79 HydrophobicContact CD1-CG 4.26Å; L75-L79 HydrophobicContact CG-CD1 4.06Å; L75-L79 HydrophobicContact CG-CG 4.49Å; L75-L79 WeakPolarHBondContact O-CB 3.43Å; L75-L79 VanDerWaalsContact O-CG 3.3Å; L75-L79 WeakPolarHBondContact O-CG 3.33Å; L75-L79 PolarHBondContact O-N 3.17Å; L75-E283 PolarHBondContact N-OE2 2.8Å
76L83.2Confident77.2Confident23 Ų2352.9 Ų52.912%0.1229%0.293CS..Hα-helixtrans-64.5-38.4178.7-68171.3000112.4P70 C72 L79 R80 L94 N97P70-L76 VanDerWaalsContact O-CD1 3.27Å; P70-L76 WeakPolarHBondContact O-CD1 3.33Å; C72-L76 VanDerWaalsContact O-CG 3.25Å; C72-L76 WeakPolarHBondContact O-CG 3.47Å; C72-L76 PolarHBondContact O-N 3.31Å; L76-L79 PolarHBondContact O-N 2.85Å; L76-R80 VanDerWaalsContact O-CB 3.26Å; L76-R80 WeakPolarHBondContact O-CB 3.39Å; L76-R80 PolarHBondContact O-N 3.02Å; L76-L94 HydrophobicContact CD2-CD2 3.9Å; L76-N97 HydrophobicContact CD1-CB 3.73Å; L76-N97 WeakPolarHBondContact CD1-ND2 3.31Å
77S76.9Confident75.5Confident34 Ų3455.1 Ų55.124%0.23831%0.311CS..Hα-helixtrans-66.2-41.6175.1-58.50000111.2R73 S74 L75 R80 G81R73-S77 VanDerWaalsContact O-CB 3.29Å; R73-S77 WeakPolarHBondContact O-CB 3.33Å; R73-S77 PolarHBondContact O-N 3.26Å; R73-S77 PolarHBondContact O-OG 3.25Å; S74-S77 PolarHBondContact O-N 3.09Å; L75-S77 VanDerWaalsContact C-N 3.35Å; L75-S77 PolarHBondContact O-N 2.95Å; S77-R80 WeakPolarHBondContact O-CB 3.39Å; S77-R80 PolarHBondContact O-N 3.29Å; S77-G81 PolarHBondContact O-N 2.79Å
78F79.6Confident74.2Confident134 Ų13459.1 Ų59.159%0.58833%0.325SS*.Hα-helixtrans-62.6-45.7174.6173.8-100.8000112.2S74 L75 R80 G81 T82S74-F78 WeakPolarHBondContact O-CB 3.27Å; S74-F78 PolarHBondContact O-N 3.41Å; L75-F78 PolarHBondContact O-N 2.89Å; F78-R80 VanDerWaalsContact C-N 3.32Å; F78-R80 PolarHBondContact O-N 2.88Å; F78-G81 PolarHBondContact O-N 3.35Å; F78-T82 WeakPolarHBondContact CE2-OG1 3.19Å; F78-T82 WeakPolarHBondContact CZ-OG1 3.47Å; F78-T82 WeakPolarHBondContact O-CB 3.41Å; F78-T82 PolarHBondContact O-N 2.76Å; F78-T82 PolarHBondContact O-OG1 3.18Å
79L77.2Confident72.9Confident75 Ų7560.6 Ų60.639%0.39334%0.335SS..Hα-helixtrans-62.1-40.7176-71.9172.4000111L75 L76 G81 C83 L94L75-L79 HydrophobicContact CD1-CD1 4.22Å; L75-L79 HydrophobicContact CD1-CG 4.26Å; L75-L79 HydrophobicContact CG-CD1 4.06Å; L75-L79 HydrophobicContact CG-CG 4.49Å; L75-L79 WeakPolarHBondContact O-CB 3.43Å; L75-L79 VanDerWaalsContact O-CG 3.3Å; L75-L79 WeakPolarHBondContact O-CG 3.33Å; L75-L79 PolarHBondContact O-N 3.17Å; L76-L79 PolarHBondContact O-N 2.85Å; L79-G81 PolarHBondContact O-N 3.48Å; L79-C83 VanDerWaalsContact O-CB 3.31Å; L79-C83 WeakPolarHBondContact O-CB 3.39Å; L79-C83 PolarHBondContact O-N 3.14Å; L79-C83 VanDerWaalsContact O-N 3.09Å; L79-L94 HydrophobicContact CB-CD1 4.22Å
80R72.7Confident71.9Confident10 Ų1060.8 Ų60.84%0.03834%0.336CS..Hα-helixtrans-59.2-44.7175.5-177.5179.3171.197.520.6111.9L76 S77 F78 L94 D95 T387 E390 D391L76-R80 VanDerWaalsContact O-CB 3.26Å; L76-R80 WeakPolarHBondContact O-CB 3.39Å; L76-R80 PolarHBondContact O-N 3.02Å; S77-R80 WeakPolarHBondContact O-CB 3.39Å; S77-R80 PolarHBondContact O-N 3.29Å; F78-R80 VanDerWaalsContact C-N 3.32Å; F78-R80 PolarHBondContact O-N 2.88Å; R80-L94 HydrophobicContact CB-CD1 4.4Å; R80-D95 IonicContact CZ-OD1 3.96Å; R80-D95 IonicContact NH1-OD1 3.85Å; R80-D95 PolarHBondContact NH1-OD1 2.91Å; R80-D95 IonicContact NH1-OD2 3.05Å; R80-D95 PolarHBondContact NH1-OD2 2.77Å; R80-T387 PolarHBondContact NH2-O 3.33Å; R80-E390 IonicContact CZ-OE2 2.75Å; R80-E390 IonicContact NE-OE2 2.72Å; R80-E390 PolarHBondContact NE-OE2 3.26Å; R80-E390 IonicContact NH2-OE2 3.42Å; R80-E390 PolarHBondContact NH2-OE2 3.46Å; R80-D391 IonicContact CZ-OD2 3.95Å; R80-D391 IonicContact NH2-OD1 2.75Å; R80-D391 IonicContact NH2-OD2 2.65Å; R80-D391 PolarHBondContact NH2-OD2 3.33Å
81G65.3Low71Confident54 Ų5462 Ų6256%0.55734%0.339SS*.Hα-helixtrans-73-41.217900000114.4S77 F78 L79 C83 S84S77-G81 PolarHBondContact O-N 2.79Å; F78-G81 PolarHBondContact O-N 3.35Å; L79-G81 PolarHBondContact O-N 3.48Å; G81-C83 VanDerWaalsContact C-N 3.32Å; G81-C83 PolarHBondContact O-N 3.21Å; G81-S84 PolarHBondContact O-N 3.46Å
82T65.9Low70.1Confident93 Ų9361.6 Ų61.657%0.57133%0.334SS*.Hα-helixtrans-68.7-33.1-179.1-50.70000111.7F78 S84F78-T82 WeakPolarHBondContact CE2-OG1 3.19Å; F78-T82 WeakPolarHBondContact CZ-OG1 3.47Å; F78-T82 WeakPolarHBondContact O-CB 3.41Å; F78-T82 PolarHBondContact O-N 2.76Å; F78-T82 PolarHBondContact O-OG1 3.18Å; T82-S84 PolarHBondContact O-N 3.44Å
83C56.7Low69.5Low29 Ų2963.1 Ų63.120%0.19634%0.342CS..G310 helixtrans-78.641.5173.3-1100000112.7L79 G81 F85 C86 L90 R91L79-C83 VanDerWaalsContact O-CB 3.31Å; L79-C83 WeakPolarHBondContact O-CB 3.39Å; L79-C83 PolarHBondContact O-N 3.14Å; L79-C83 VanDerWaalsContact O-N 3.09Å; G81-C83 VanDerWaalsContact C-N 3.32Å; G81-C83 PolarHBondContact O-N 3.21Å; C83-F85 PolarHBondContact O-N 3.39Å; C83-C86 VanDerWaalsContact CA-SG 3.51Å; C83-C86 HydrophobicContact CB-CB 3.43Å; C83-C86 VanDerWaalsContact CB-CB 3.43Å; C83-C86 WeakPolarHBondContact CB-SG 3.18Å; C83-C86 WeakPolarHBondContact O-CB 3.41Å; C83-C86 PolarHBondContact O-N 3.47Å; C83-C86 WeakPolarHBondContact SG-CB 3.17Å; C83-C86 CovalentContact SG-SG 2.02Å; C83-C86 PolarHBondContact SG-SG 3.48Å; C83-L90 WeakPolarHBondContact SG-CD2 3.45Å; C83-R91 PolarHBondContact O-NH2 2.78Å
84S49.9Very low69.1Low93 Ų9361.3 Ų61.365%0.6534%0.337SS*.G310 helixtrans-56.9-34.7173.6-169.20000111.6G81 T82 R91G81-S84 PolarHBondContact O-N 3.46Å; T82-S84 PolarHBondContact O-N 3.44Å; S84-R91 VanDerWaalsContact CA-NH2 3.34Å; S84-R91 PolarHBondContact O-NH2 3.35Å
85F42.1Very low68.7Low212 Ų21262.7 Ų62.793%0.9334%0.344SS*.G310 helixtrans-84.8-10.9176.9-164.2-102.8000114.5C83C83-F85 PolarHBondContact O-N 3.39Å
86C53.6Low68.4Low43 Ų4363.2 Ų63.229%0.29134%0.344SS..SBendtrans-78.8143.7-178.2-57.30000111C83 L90C83-C86 VanDerWaalsContact CA-SG 3.51Å; C83-C86 HydrophobicContact CB-CB 3.43Å; C83-C86 VanDerWaalsContact CB-CB 3.43Å; C83-C86 WeakPolarHBondContact CB-SG 3.18Å; C83-C86 WeakPolarHBondContact O-CB 3.41Å; C83-C86 PolarHBondContact O-N 3.47Å; C83-C86 WeakPolarHBondContact SG-CB 3.17Å; C83-C86 CovalentContact SG-SG 2.02Å; C83-C86 PolarHBondContact SG-SG 3.48Å; C86-L90 HydrophobicContact CB-CB 4.36Å; C86-L90 HydrophobicContact CB-CD2 3.67Å
87S60.3Low68.6Low75 Ų7563.6 Ų63.652%0.52435%0.346SS..  trans-56146.2-17973.60000111.9T89 L90S87-T89 PolarHBondContact O-N 3.34Å; S87-L90 PolarHBondContact O-N 3.23Å
88R66.9Low69.1Low103 Ų10365.4 Ų65.439%0.38935%0.353SS..Hα-helixtrans-42.4-32.8174.1-66.7176.1177.8171.6-0.1113.2L90 K92 Q394R88-L90 PolarHBondContact O-N 3.06Å; R88-K92 PolarHBondContact O-N 3.2Å; R88-Q394 PolarHBondContact NH2-O 3.07Å
89T67.6Low69.5Low46 Ų4662.7 Ų62.728%0.28235%0.348SS..Hα-helixtrans-61.3-36.7179-45.70000113.8W9 F10 S87 Q93W9-T89 HydrophobicContact CZ2-CG2 4.45Å; F10-T89 HydrophobicContact CB-CG2 3.28Å; F10-T89 HydrophobicContact CD1-CG2 3.79Å; F10-T89 HydrophobicContact CG-CG2 3.64Å; S87-T89 PolarHBondContact O-N 3.34Å; T89-Q93 PolarHBondContact O-N 3.17Å
90L69.3Low70.2Confident59 Ų5960.6 Ų60.631%0.30934%0.335SS..Hα-helixtrans-75.1-45.5-178.3-172.570.7000111.6F10 C83 C86 S87 R88 K92 Q93 L94F10-L90 HydrophobicContact CE1-CD1 3.82Å; F10-L90 HydrophobicContact CZ-CD1 3.84Å; C83-L90 WeakPolarHBondContact SG-CD2 3.45Å; C86-L90 HydrophobicContact CB-CB 4.36Å; C86-L90 HydrophobicContact CB-CD2 3.67Å; S87-L90 PolarHBondContact O-N 3.23Å; R88-L90 PolarHBondContact O-N 3.06Å; L90-K92 PolarHBondContact O-N 3.39Å; L90-Q93 WeakPolarHBondContact O-CB 3.12Å; L90-Q93 PolarHBondContact O-N 3.34Å; L90-L94 PolarHBondContact O-N 3.26Å
91R72.3Confident71.2Confident32 Ų3261.7 Ų61.712%0.12134%0.341CS..Hα-helixtrans-56.7-42.2175.7-67.6-172.7-164.2174.96.3111.4C83 S84 Q93 L94 D95 D391C83-R91 PolarHBondContact O-NH2 2.78Å; S84-R91 VanDerWaalsContact CA-NH2 3.34Å; S84-R91 PolarHBondContact O-NH2 3.35Å; R91-Q93 PolarHBondContact O-N 2.71Å; R91-L94 WeakPolarHBondContact O-CB 3.24Å; R91-L94 PolarHBondContact O-N 3.42Å; R91-D95 PolarHBondContact O-N 3.44Å; R91-D95 VanDerWaalsContact O-N 3.14Å; R91-D391 IonicContact NH1-OD1 2.98Å; R91-D391 PolarHBondContact NH1-OD1 3.43Å; R91-D391 VanDerWaalsContact NH1-OD1 3.17Å
92K71.6Confident72.6Confident30 Ų3064.2 Ų64.213%0.1334%0.337CS..Hα-helixtrans-59.8-31.5176.3-167.9179.3179.1-169.50113.3N7 R88 L90 D95 H96N7-K92 PolarHBondContact O-NZ 3.41Å; R88-K92 PolarHBondContact O-N 3.2Å; L90-K92 PolarHBondContact O-N 3.39Å; K92-D95 PolarHBondContact O-N 3.09Å; K92-H96 PolarHBondContact O-N 2.79Å; K92-H96 PolarHBondContact O-ND1 2.86Å
93Q76.9Confident74Confident32 Ų3262.7 Ų62.715%0.1533%0.325CS..Hα-helixtrans-70.3-38.7173.5-62.3-44.7-48.400112.4F10 S11 T89 L90 R91 D95 H96F10-Q93 HydrophobicContact CD1-CG 3.24Å; F10-Q93 HydrophobicContact CE1-CB 4.37Å; F10-Q93 HydrophobicContact CE1-CG 3.33Å; S11-Q93 VanDerWaalsContact CA-OE1 3.25Å; S11-Q93 VanDerWaalsContact CB-OE1 3.32Å; S11-Q93 PolarHBondContact OG-NE2 3.15Å; S11-Q93 PolarHBondContact OG-OE1 3.07Å; T89-Q93 PolarHBondContact O-N 3.17Å; L90-Q93 WeakPolarHBondContact O-CB 3.12Å; L90-Q93 PolarHBondContact O-N 3.34Å; R91-Q93 PolarHBondContact O-N 2.71Å; Q93-D95 PolarHBondContact O-N 2.82Å; Q93-H96 WeakPolarHBondContact O-CA 3.24Å; Q93-H96 PolarHBondContact O-N 2.91Å
94L76.4Confident76Confident36 Ų3661.3 Ų61.319%0.18832%0.315CS..Hα-helixtrans-60.1-33.7176.3-59.6176.4000110.7L76 L79 R80 L90 R91 H96 N97L76-L94 HydrophobicContact CD2-CD2 3.9Å; L79-L94 HydrophobicContact CB-CD1 4.22Å; R80-L94 HydrophobicContact CB-CD1 4.4Å; L90-L94 PolarHBondContact O-N 3.26Å; R91-L94 WeakPolarHBondContact O-CB 3.24Å; R91-L94 PolarHBondContact O-N 3.42Å; L94-H96 VanDerWaalsContact C-N 3.25Å; L94-H96 PolarHBondContact O-N 3.48Å; L94-N97 WeakPolarHBondContact O-CB 3.46Å; L94-N97 VanDerWaalsContact O-CG 3.27Å; L94-N97 PolarHBondContact O-N 3.12Å; L94-N97 VanDerWaalsContact O-N 3.17Å
95D74Confident78.2Confident48 Ų4858.3 Ų58.326%0.25730%0.296SS..THydrogen-bonded Turntrans-70.9-17.9175.5-60.8-23.3000113.7R80 R91 K92 Q93 N97R80-D95 IonicContact CZ-OD1 3.96Å; R80-D95 IonicContact NH1-OD1 3.85Å; R80-D95 PolarHBondContact NH1-OD1 2.91Å; R80-D95 IonicContact NH1-OD2 3.05Å; R80-D95 PolarHBondContact NH1-OD2 2.77Å; R91-D95 PolarHBondContact O-N 3.44Å; R91-D95 VanDerWaalsContact O-N 3.14Å; K92-D95 PolarHBondContact O-N 3.09Å; Q93-D95 PolarHBondContact O-N 2.82Å; D95-N97 VanDerWaalsContact C-N 3.32Å
96H78.6Confident80.8Confident66 Ų6655.6 Ų55.631%0.30628%0.28SS..THydrogen-bonded Turntrans-92.210.9173.9-69.576.8000112.8K92 Q93 L94 L98 T99 F100K92-H96 PolarHBondContact O-N 2.79Å; K92-H96 PolarHBondContact O-ND1 2.86Å; Q93-H96 WeakPolarHBondContact O-CA 3.24Å; Q93-H96 PolarHBondContact O-N 2.91Å; L94-H96 VanDerWaalsContact C-N 3.25Å; L94-H96 PolarHBondContact O-N 3.48Å; H96-L98 VanDerWaalsContact C-N 3.35Å; H96-L98 PolarHBondContact O-N 2.82Å; H96-T99 WeakPolarHBondContact O-CA 3.4Å; H96-T99 WeakPolarHBondContact O-CB 3.46Å; H96-T99 PolarHBondContact O-N 3.1Å; H96-F100 PolarHBondContact O-N 2.91Å
97N86.3Confident82.9Confident31 Ų3154.8 Ų54.817%0.16627%0.273CS..Hα-helixtrans-45.8-49.1178.761.6-16.4000114.2P70 L76 L94 D95 T99 F100 H101P70-N97 HydrophobicContact CB-CB 3.92Å; P70-N97 VanDerWaalsContact CB-O 3.23Å; P70-N97 WeakPolarHBondContact CB-O 3.21Å; P70-N97 WeakPolarHBondContact O-CB 3.43Å; P70-N97 PolarHBondContact O-ND2 3.23Å; L76-N97 HydrophobicContact CD1-CB 3.73Å; L76-N97 WeakPolarHBondContact CD1-ND2 3.31Å; L94-N97 WeakPolarHBondContact O-CB 3.46Å; L94-N97 VanDerWaalsContact O-CG 3.27Å; L94-N97 PolarHBondContact O-N 3.12Å; L94-N97 VanDerWaalsContact O-N 3.17Å; D95-N97 VanDerWaalsContact C-N 3.32Å; N97-T99 VanDerWaalsContact C-N 3.29Å; N97-T99 PolarHBondContact O-N 3.22Å; N97-F100 PolarHBondContact O-N 3.08Å; N97-H101 PolarHBondContact O-N 3.38Å
98L87.5Confident84.7Confident72 Ų7251.5 Ų51.538%0.37725%0.249SC..Hα-helixtrans-71.4-26.8-178.1-65.6-178.8000112.3H96 K102H96-L98 VanDerWaalsContact C-N 3.35Å; H96-L98 PolarHBondContact O-N 2.82Å; L98-K102 WeakPolarHBondContact O-CG 3.26Å; L98-K102 PolarHBondContact O-N 3.35Å
99T88.4Confident86.2Confident78 Ų7848.4 Ų48.448%0.47924%0.243SC..Hα-helixtrans-70.2-43.8172-55.70000109.6H96 N97 K102 L103H96-T99 WeakPolarHBondContact O-CA 3.4Å; H96-T99 WeakPolarHBondContact O-CB 3.46Å; H96-T99 PolarHBondContact O-N 3.1Å; N97-T99 VanDerWaalsContact C-N 3.29Å; N97-T99 PolarHBondContact O-N 3.22Å; T99-K102 PolarHBondContact O-N 3.38Å; T99-L103 WeakPolarHBondContact O-CG 3.38Å; T99-L103 PolarHBondContact O-N 2.95Å; T99-L103 VanDerWaalsContact O-N 3.12Å
100F92.1Very high87.6Confident30 Ų3050.7 Ų50.713%0.13225%0.253CS..Hα-helixtrans-63.3-43175.5-177.3-117.9000112.2F14 L15 W18 L66 P70 H96 N97 K102 L103 V104F14-F100 HydrophobicContact CE1-CD1 4.37Å; F14-F100 AromaticContact CE1-CD2 3.83Å; F14-F100 HydrophobicContact CE1-CD2 3.83Å; F14-F100 HydrophobicContact CE1-CE1 4.24Å; F14-F100 AromaticContact CE1-CE2 3.67Å; F14-F100 HydrophobicContact CE1-CE2 3.67Å; F14-F100 HydrophobicContact CE1-CG 4.19Å; F14-F100 AromaticContact CE1-CZ 3.89Å; F14-F100 HydrophobicContact CE1-CZ 3.89Å; F14-F100 HydrophobicContact CZ-CE1 4.23Å; F14-F100 HydrophobicContact CZ-CE2 4.32Å; F14-F100 HydrophobicContact CZ-CZ 4.07Å; L15-F100 HydrophobicContact CD2-CD2 4.12Å; L15-F100 HydrophobicContact CD2-CE2 4.48Å; W18-F100 HydrophobicContact CB-CE2 4.49Å; W18-F100 AromaticContact CD2-CE2 3.92Å; W18-F100 HydrophobicContact CD2-CE2 3.92Å; W18-F100 HydrophobicContact CE3-CE2 4.35Å; W18-F100 AromaticContact CG-CE2 3.95Å; W18-F100 HydrophobicContact CG-CE2 3.95Å; W18-F100 HydrophobicContact CG-CZ 4.23Å; L66-F100 HydrophobicContact CD1-CZ 4.46Å; P70-F100 HydrophobicContact CG-CD1 3.75Å; P70-F100 HydrophobicContact CG-CE1 4.29Å; H96-F100 PolarHBondContact O-N 2.91Å; N97-F100 PolarHBondContact O-N 3.08Å; F100-K102 VanDerWaalsContact C-N 3.28Å; F100-K102 PolarHBondContact O-N 3.03Å; F100-L103 WeakPolarHBondContact O-CB 3.46Å; F100-L103 PolarHBondContact O-N 3.26Å; F100-V104 HydrophobicContact CD1-CG2 4.18Å; F100-V104 HydrophobicContact CD2-CG2 4.18Å; F100-V104 HydrophobicContact CE1-CG2 3.78Å; F100-V104 HydrophobicContact CE2-CG2 3.78Å; F100-V104 HydrophobicContact CG-CG2 4.37Å; F100-V104 HydrophobicContact CZ-CG2 3.56Å; F100-V104 WeakPolarHBondContact O-CG2 3.37Å; F100-V104 PolarHBondContact O-N 2.77Å
101H94.6Very high89Confident33 Ų3348.5 Ų48.515%0.15324%0.241CC..Hα-helixtrans-52.2-45.1173175.885000112.4I67 P70 V71 N97 V104 A105 H208I67-H101 WeakPolarHBondContact CD1-ND1 3.48Å; I67-H101 WeakPolarHBondContact CD1-O 2.94Å; I67-H101 PolarHBondContact O-ND1 3.17Å; P70-H101 HydrophobicContact CB-CB 4.08Å; P70-H101 HydrophobicContact CG-CB 4.37Å; V71-H101 VanDerWaalsContact CG2-ND1 3.32Å; V71-H101 WeakPolarHBondContact CG2-ND1 3.39Å; N97-H101 PolarHBondContact O-N 3.38Å; H101-V104 PolarHBondContact O-N 3.01Å; H101-A105 WeakPolarHBondContact O-CB 3.22Å; H101-A105 PolarHBondContact O-N 3.17Å; H101-H208 AromaticContact NE2-NE2 3.98Å
102K94.5Very high90.2Very high108 Ų10847.8 Ų47.847%0.4724%0.24SC..Hα-helixtrans-64.7-40.9176.8-68.5170.9-174.81790112.5L98 T99 F100 A105 Y106L98-K102 WeakPolarHBondContact O-CG 3.26Å; L98-K102 PolarHBondContact O-N 3.35Å; T99-K102 PolarHBondContact O-N 3.38Å; F100-K102 VanDerWaalsContact C-N 3.28Å; F100-K102 PolarHBondContact O-N 3.03Å; K102-A105 WeakPolarHBondContact O-CB 3.42Å; K102-A105 PolarHBondContact O-N 3.35Å; K102-Y106 HydrophobicContact CB-CE2 4.4Å; K102-Y106 WeakPolarHBondContact O-CD2 3.46Å; K102-Y106 PolarHBondContact O-N 3.43Å
103L95.2Very high91.5Very high61 Ų6148.6 Ų48.632%0.31925%0.253SS..Hα-helixtrans-63.6-43.6176.6-68.3173.5000111.7L15 W18 T99 F100 A105 Y106 M107L15-L103 HydrophobicContact CD1-CD1 4.37Å; L15-L103 HydrophobicContact CD2-CD1 3.66Å; W18-L103 HydrophobicContact CH2-CB 4.18Å; W18-L103 HydrophobicContact CZ3-CB 4.36Å; T99-L103 WeakPolarHBondContact O-CG 3.38Å; T99-L103 PolarHBondContact O-N 2.95Å; T99-L103 VanDerWaalsContact O-N 3.12Å; F100-L103 WeakPolarHBondContact O-CB 3.46Å; F100-L103 PolarHBondContact O-N 3.26Å; L103-A105 VanDerWaalsContact C-N 3.34Å; L103-Y106 PolarHBondContact O-N 3.16Å; L103-M107 PolarHBondContact O-N 3.46Å
104V97.2Very high92.5Very high0 Ų049.4 Ų49.40%026%0.257CS..Hα-helixtrans-61.6-42.9174.2177.90000110.5W18 N63 L66 I67 F100 H101 Y106 M107 I108W18-V104 HydrophobicContact CZ2-CG2 4.18Å; N63-V104 HydrophobicContact CB-CG1 3.87Å; N63-V104 VanDerWaalsContact O-CG1 3.22Å; N63-V104 WeakPolarHBondContact O-CG1 3.49Å; L66-V104 HydrophobicContact CB-CG1 4.37Å; I67-V104 HydrophobicContact CB-CG1 4.13Å; I67-V104 HydrophobicContact CD1-CB 3.9Å; I67-V104 HydrophobicContact CD1-CG1 3.74Å; F100-V104 HydrophobicContact CD1-CG2 4.18Å; F100-V104 HydrophobicContact CD2-CG2 4.18Å; F100-V104 HydrophobicContact CE1-CG2 3.78Å; F100-V104 HydrophobicContact CE2-CG2 3.78Å; F100-V104 HydrophobicContact CG-CG2 4.37Å; F100-V104 HydrophobicContact CZ-CG2 3.56Å; F100-V104 WeakPolarHBondContact O-CG2 3.37Å; F100-V104 PolarHBondContact O-N 2.77Å; H101-V104 PolarHBondContact O-N 3.01Å; V104-Y106 PolarHBondContact O-N 3.15Å; V104-M107 WeakPolarHBondContact O-CB 3.44Å; V104-M107 PolarHBondContact O-N 2.79Å; V104-M107 VanDerWaalsContact O-N 3.16Å; V104-I108 HydrophobicContact CG1-CD1 4.21Å; V104-I108 WeakPolarHBondContact O-CG1 3.24Å; V104-I108 PolarHBondContact O-N 3.23Å
105A96.9Very high93.5Very high29 Ų2948.7 Ų48.724%0.2425%0.253CS..Hα-helixtrans-60.3-43.517600000112.4I67 H101 K102 L103 M107 I108 C109I67-A105 HydrophobicContact CD1-CB 4.12Å; H101-A105 WeakPolarHBondContact O-CB 3.22Å; H101-A105 PolarHBondContact O-N 3.17Å; K102-A105 WeakPolarHBondContact O-CB 3.42Å; K102-A105 PolarHBondContact O-N 3.35Å; L103-A105 VanDerWaalsContact C-N 3.34Å; A105-M107 VanDerWaalsContact C-N 3.3Å; A105-M107 PolarHBondContact O-N 3.15Å; A105-I108 WeakPolarHBondContact O-CB 3.4Å; A105-I108 PolarHBondContact O-N 2.85Å; A105-C109 PolarHBondContact O-N 3.02Å; A105-C109 PolarHBondContact O-SG 3.19Å
106Y96.9Very high94.5Very high155 Ų15549 Ų4961%0.60826%0.255SS*.Hα-helixtrans-62.8-37.4174.7-66.1-46.2000112.6K102 L103 V104 C109 L110K102-Y106 HydrophobicContact CB-CE2 4.4Å; K102-Y106 WeakPolarHBondContact O-CD2 3.46Å; K102-Y106 PolarHBondContact O-N 3.43Å; L103-Y106 PolarHBondContact O-N 3.16Å; V104-Y106 PolarHBondContact O-N 3.15Å; Y106-C109 PolarHBondContact O-N 3.23Å; Y106-L110 PolarHBondContact O-N 3.03Å
107M97.8Very high95.4Very high26 Ų2650.3 Ų50.313%0.12826%0.262CS..Hα-helixtrans-66.3-38.3175.4-166.460.57700112W18 L19 N63 L103 V104 A105 L110 H111W18-M107 HydrophobicContact CH2-CB 4.01Å; W18-M107 HydrophobicContact CH2-CE 3.72Å; W18-M107 HydrophobicContact CH2-CG 4.36Å; W18-M107 HydrophobicContact CZ2-CB 3.75Å; W18-M107 HydrophobicContact CZ2-CE 4.11Å; W18-M107 HydrophobicContact CZ2-CG 3.97Å; W18-M107 HydrophobicContact CZ3-CE 4.32Å; L19-M107 HydrophobicContact CD2-CE 3.61Å; N63-M107 WeakPolarHBondContact ND2-CG 3.42Å; L103-M107 PolarHBondContact O-N 3.46Å; V104-M107 WeakPolarHBondContact O-CB 3.44Å; V104-M107 PolarHBondContact O-N 2.79Å; V104-M107 VanDerWaalsContact O-N 3.16Å; A105-M107 VanDerWaalsContact C-N 3.3Å; A105-M107 PolarHBondContact O-N 3.15Å; M107-L110 PolarHBondContact O-N 3.48Å; M107-L110 HydrophobicContact SD-CD2 4.01Å; M107-H111 PolarHBondContact O-CD2 3.35Å; M107-H111 PolarHBondContact O-N 3.35Å
108I98Very high95.9Very high6 Ų649 Ų493%0.03126%0.256CS..Hα-helixtrans-60.4-46.1171.8-69.6169.2000110.3L60 N63 I67 V104 A105 L110 H111 T112 L185 Y214L60-I108 HydrophobicContact CD2-CB 4.46Å; L60-I108 HydrophobicContact CD2-CG2 4.01Å; L60-I108 WeakPolarHBondContact CD2-O 3.16Å; N63-I108 HydrophobicContact CB-CD1 4.26Å; N63-I108 HydrophobicContact CB-CG1 3.65Å; I67-I108 HydrophobicContact CB-CD1 4.11Å; I67-I108 HydrophobicContact CD1-CD1 4.29Å; I67-I108 HydrophobicContact CG1-CD1 4.17Å; V104-I108 HydrophobicContact CG1-CD1 4.21Å; V104-I108 WeakPolarHBondContact O-CG1 3.24Å; V104-I108 PolarHBondContact O-N 3.23Å; A105-I108 WeakPolarHBondContact O-CB 3.4Å; A105-I108 PolarHBondContact O-N 2.85Å; I108-L110 PolarHBondContact O-N 2.9Å; I108-H111 PolarHBondContact O-N 2.91Å; I108-T112 VanDerWaalsContact O-CB 3.23Å; I108-T112 WeakPolarHBondContact O-CB 3.39Å; I108-T112 PolarHBondContact O-N 3.12Å; I108-T112 PolarHBondContact O-OG1 3.19Å; I108-L185 HydrophobicContact CG2-CD1 4.33Å; I108-L185 HydrophobicContact CG2-CD2 4.25Å; I108-Y214 VanDerWaalsContact CG2-OH 3.31Å; I108-Y214 WeakPolarHBondContact CG2-OH 3.29Å
109C97.9Very high96.3Very high38 Ų3847.5 Ų47.526%0.25725%0.247SC..Hα-helixtrans-60.8-44.9177.4-64.90000112A105 Y106 T112 A113 V189A105-C109 PolarHBondContact O-N 3.02Å; A105-C109 PolarHBondContact O-SG 3.19Å; Y106-C109 PolarHBondContact O-N 3.23Å; C109-T112 PolarHBondContact O-N 2.81Å; C109-A113 PolarHBondContact O-N 3.05Å; C109-V189 VanDerWaalsContact SG-CG2 3.54Å
110L97.8Very high96.6Very high95 Ų9549.1 Ų49.150%0.49725%0.252SS..Hα-helixtrans-59-53.3178.217663.8000111.5Y106 M107 I108 T112 A113 I114Y106-L110 PolarHBondContact O-N 3.03Å; M107-L110 PolarHBondContact O-N 3.48Å; M107-L110 HydrophobicContact SD-CD2 4.01Å; I108-L110 PolarHBondContact O-N 2.9Å; L110-T112 VanDerWaalsContact C-N 3.31Å; L110-T112 PolarHBondContact O-N 3.44Å; L110-A113 PolarHBondContact O-N 3.13Å; L110-I114 HydrophobicContact CD1-CD1 4.17Å; L110-I114 HydrophobicContact CG-CD1 4.11Å; L110-I114 WeakPolarHBondContact O-CG1 3.21Å; L110-I114 PolarHBondContact O-N 2.81Å
111H98.3Very high96.8Very high13 Ų1352.9 Ų52.96%0.0627%0.269CS..Hα-helixtrans-70.3-28.3-179.5-73.9-63.6000112.8F26 C59 L60 M107 I108 I114 H115F26-H111 AromaticContact CD2-CE1 3.85Å; C59-H111 HydrophobicContact CB-CB 4.49Å; C59-H111 VanDerWaalsContact CB-CD2 3.42Å; C59-H111 WeakPolarHBondContact CB-CD2 3.29Å; C59-H111 WeakPolarHBondContact CB-NE2 3.36Å; L60-H111 HydrophobicContact CD2-CB 3.88Å; L60-H111 HydrophobicContact CG-CB 3.77Å; M107-H111 PolarHBondContact O-CD2 3.35Å; M107-H111 PolarHBondContact O-N 3.35Å; I108-H111 PolarHBondContact O-N 2.91Å; H111-I114 PolarHBondContact O-N 3.45Å; H111-H115 WeakPolarHBondContact O-CB 3.32Å; H111-H115 PolarHBondContact O-N 3.37Å
112T98Very high96.8Very high16 Ų1651.4 Ų51.410%0.09826%0.262CS..Hα-helixtrans-62.1-46171.6-61.90000110.5L60 I108 C109 L110 H115 I116 L185L60-T112 WeakPolarHBondContact CD2-OG1 3.39Å; I108-T112 VanDerWaalsContact O-CB 3.23Å; I108-T112 WeakPolarHBondContact O-CB 3.39Å; I108-T112 PolarHBondContact O-N 3.12Å; I108-T112 PolarHBondContact O-OG1 3.19Å; C109-T112 PolarHBondContact O-N 2.81Å; L110-T112 VanDerWaalsContact C-N 3.31Å; L110-T112 PolarHBondContact O-N 3.44Å; T112-H115 PolarHBondContact O-N 2.93Å; T112-I116 HydrophobicContact CG2-CD1 3.59Å; T112-I116 HydrophobicContact CG2-CG1 4.27Å; T112-I116 WeakPolarHBondContact O-CB 3.06Å; T112-I116 VanDerWaalsContact O-CG1 3.26Å; T112-I116 WeakPolarHBondContact O-CG1 3.47Å; T112-I116 PolarHBondContact O-N 2.88Å; T112-L185 HydrophobicContact CG2-CD2 3.91Å
113A97.9Very high96.8Very high48 Ų4847.2 Ų47.240%0.39724%0.244SC..Hα-helixtrans-61.5-47.817700000111.8C109 L110 H115 I116 I117C109-A113 PolarHBondContact O-N 3.05Å; L110-A113 PolarHBondContact O-N 3.13Å; A113-H115 VanDerWaalsContact C-N 3.31Å; A113-H115 PolarHBondContact O-N 3.47Å; A113-I116 PolarHBondContact O-N 2.76Å; A113-I117 WeakPolarHBondContact O-CB 3.43Å; A113-I117 WeakPolarHBondContact O-CD1 3.39Å; A113-I117 VanDerWaalsContact O-CG1 3.22Å; A113-I117 WeakPolarHBondContact O-CG1 3.28Å; A113-I117 PolarHBondContact O-N 2.88Å
114I98.3Very high96.7Very high48 Ų4847.1 Ų47.125%0.24624%0.244CC..Hα-helixtrans-58.5-45.1176.6-65.1168.2000110.7F26 C52 L110 H111 A118F26-I114 HydrophobicContact CE2-CG2 4.49Å; C52-I114 WeakPolarHBondContact SG-CG2 3.2Å; L110-I114 HydrophobicContact CD1-CD1 4.17Å; L110-I114 HydrophobicContact CG-CD1 4.11Å; L110-I114 WeakPolarHBondContact O-CG1 3.21Å; L110-I114 PolarHBondContact O-N 2.81Å; H111-I114 PolarHBondContact O-N 3.45Å; I114-A118 VanDerWaalsContact O-CB 3.3Å; I114-A118 WeakPolarHBondContact O-CB 3.22Å; I114-A118 PolarHBondContact O-N 3.12Å
115H97.3Very high96.6Very high21 Ų2151.3 Ų51.310%0.09726%0.26CS..Hα-helixtrans-63.7-48.2-178.8-177.775.3000112.2A53 S56 L60 H111 T112 A113 A118 H119 H221A53-H115 PolarHBondContact O-ND1 3Å; S56-H115 WeakPolarHBondContact OG-CA 3.25Å; S56-H115 WeakPolarHBondContact OG-CB 3.34Å; L60-H115 HydrophobicContact CD1-CB 3.99Å; H111-H115 WeakPolarHBondContact O-CB 3.32Å; H111-H115 PolarHBondContact O-N 3.37Å; T112-H115 PolarHBondContact O-N 2.93Å; A113-H115 VanDerWaalsContact C-N 3.31Å; A113-H115 PolarHBondContact O-N 3.47Å; H115-A118 PolarHBondContact O-N 2.77Å; H115-H119 AromaticContact CD2-CD2 3.72Å; H115-H119 AromaticContact CE1-CD2 3.24Å; H115-H119 PolarHBondContact CE1-CD2 2.76Å; H115-H119 AromaticContact CE1-NE2 3.04Å; H115-H119 PolarHBondContact CE1-NE2 3.5Å; H115-H119 AromaticContact CG-CD2 3.95Å; H115-H119 AromaticContact ND1-CD2 3.67Å; H115-H119 AromaticContact ND1-NE2 3.77Å; H115-H119 AromaticContact NE2-CD2 3.27Å; H115-H119 PolarHBondContact NE2-CD2 3.46Å; H115-H119 VanDerWaalsContact NE2-CD2 3.27Å; H115-H119 AromaticContact NE2-NE2 3.39Å; H115-H119 PolarHBondContact NE2-NE2 2.94Å; H115-H119 PolarHBondContact O-CD2 3.23Å; H115-H119 VanDerWaalsContact O-CD2 3.31Å; H115-H119 PolarHBondContact O-N 2.76Å; H115-H221 AromaticContact NE2-NE2 3.91Å
116I96.1Very high96.5Very high56 Ų5650.3 Ų50.329%0.28725%0.249SC..Hα-helixtrans-61.1-49.4177.6-68.3167.3000110.2T112 A113 A118 H119 L120 T182T112-I116 HydrophobicContact CG2-CD1 3.59Å; T112-I116 HydrophobicContact CG2-CG1 4.27Å; T112-I116 WeakPolarHBondContact O-CB 3.06Å; T112-I116 VanDerWaalsContact O-CG1 3.26Å; T112-I116 WeakPolarHBondContact O-CG1 3.47Å; T112-I116 PolarHBondContact O-N 2.88Å; A113-I116 PolarHBondContact O-N 2.76Å; I116-A118 VanDerWaalsContact C-N 3.31Å; I116-A118 PolarHBondContact O-N 3Å; I116-H119 PolarHBondContact O-N 3.16Å; I116-H119 VanDerWaalsContact O-N 3.11Å; I116-L120 HydrophobicContact CG2-CD1 4.13Å; I116-L120 HydrophobicContact CG2-CG 4.32Å; I116-L120 WeakPolarHBondContact O-CG 3.47Å; I116-L120 PolarHBondContact O-N 2.79Å; I116-T182 HydrophobicContact CD1-CG2 3.69Å
117I97Very high96.4Very high92 Ų9244 Ų4447%0.47223%0.228SC..Hα-helixtrans-58.6-45.6179.6-69.3167.5000110.4A113 H119 L120 F121A113-I117 WeakPolarHBondContact O-CB 3.43Å; A113-I117 WeakPolarHBondContact O-CD1 3.39Å; A113-I117 VanDerWaalsContact O-CG1 3.22Å; A113-I117 WeakPolarHBondContact O-CG1 3.28Å; A113-I117 PolarHBondContact O-N 2.88Å; I117-H119 VanDerWaalsContact C-N 3.33Å; I117-H119 PolarHBondContact O-N 2.67Å; I117-L120 PolarHBondContact O-N 3.08Å; I117-F121 HydrophobicContact CG2-CD2 3.85Å; I117-F121 HydrophobicContact CG2-CE2 3.56Å; I117-F121 WeakPolarHBondContact O-CD2 3.18Å; I117-F121 PolarHBondContact O-N 3.32Å; I117-F121 VanDerWaalsContact O-N 3.11Å
118A97.3Very high96.2Very high4 Ų450.4 Ų50.43%0.03325%0.251CS..Hα-helixtrans-61.9-39.917700000112.2C52 A53 I114 H115 I116 F121 N122C52-A118 HydrophobicContact CB-CB 4.18Å; A53-A118 HydrophobicContact CB-CB 3.74Å; I114-A118 VanDerWaalsContact O-CB 3.3Å; I114-A118 WeakPolarHBondContact O-CB 3.22Å; I114-A118 PolarHBondContact O-N 3.12Å; H115-A118 PolarHBondContact O-N 2.77Å; I116-A118 VanDerWaalsContact C-N 3.31Å; I116-A118 PolarHBondContact O-N 3Å; A118-F121 PolarHBondContact O-N 2.99Å; A118-N122 WeakPolarHBondContact O-CB 3.38Å; A118-N122 PolarHBondContact O-N 2.8Å; A118-N122 PolarHBondContact O-ND2 2.76Å
119H94.9Very high95.9Very high40 Ų4050.5 Ų50.519%0.18525%0.252CS..Hα-helixtrans-67.2-37.9175-87.9-68.9000113.4H115 I116 I117 F121 N122 F123H115-H119 AromaticContact CD2-CD2 3.72Å; H115-H119 AromaticContact CE1-CD2 3.24Å; H115-H119 PolarHBondContact CE1-CD2 2.76Å; H115-H119 AromaticContact CE1-NE2 3.04Å; H115-H119 PolarHBondContact CE1-NE2 3.5Å; H115-H119 AromaticContact CG-CD2 3.95Å; H115-H119 AromaticContact ND1-CD2 3.67Å; H115-H119 AromaticContact ND1-NE2 3.77Å; H115-H119 AromaticContact NE2-CD2 3.27Å; H115-H119 PolarHBondContact NE2-CD2 3.46Å; H115-H119 VanDerWaalsContact NE2-CD2 3.27Å; H115-H119 AromaticContact NE2-NE2 3.39Å; H115-H119 PolarHBondContact NE2-NE2 2.94Å; H115-H119 PolarHBondContact O-CD2 3.23Å; H115-H119 VanDerWaalsContact O-CD2 3.31Å; H115-H119 PolarHBondContact O-N 2.76Å; I116-H119 PolarHBondContact O-N 3.16Å; I116-H119 VanDerWaalsContact O-N 3.11Å; I117-H119 VanDerWaalsContact C-N 3.33Å; I117-H119 PolarHBondContact O-N 2.67Å; H119-F121 VanDerWaalsContact C-N 3.34Å; H119-F121 PolarHBondContact O-N 3.14Å; H119-N122 PolarHBondContact O-N 3.5Å; H119-N122 VanDerWaalsContact O-N 3.15Å; H119-F123 VanDerWaalsContact O-CD2 3.22Å; H119-F123 WeakPolarHBondContact O-CD2 3.43Å; H119-F123 PolarHBondContact O-N 3.17Å
120L94.4Very high95.6Very high112 Ų11250.6 Ų50.659%0.58625%0.247SC*.Hα-helixtrans-59.8-45.7174-69174.1000111.1I116 I117 N122 F123 D124I116-L120 HydrophobicContact CG2-CD1 4.13Å; I116-L120 HydrophobicContact CG2-CG 4.32Å; I116-L120 WeakPolarHBondContact O-CG 3.47Å; I116-L120 PolarHBondContact O-N 2.79Å; I117-L120 PolarHBondContact O-N 3.08Å; L120-N122 VanDerWaalsContact C-N 3.34Å; L120-N122 PolarHBondContact O-N 2.97Å; L120-F123 PolarHBondContact O-N 3.02Å; L120-D124 PolarHBondContact O-N 3.32Å
121F96.2Very high95.3Very high109 Ų10951.6 Ų51.648%0.47825%0.249SC..Hα-helixtrans-63.6-38.5173.3-75.5-64.9000112.6T49 I117 A118 H119 D124 R125T49-F121 HydrophobicContact CG2-CB 3.92Å; T49-F121 HydrophobicContact CG2-CG 4.41Å; I117-F121 HydrophobicContact CG2-CD2 3.85Å; I117-F121 HydrophobicContact CG2-CE2 3.56Å; I117-F121 WeakPolarHBondContact O-CD2 3.18Å; I117-F121 PolarHBondContact O-N 3.32Å; I117-F121 VanDerWaalsContact O-N 3.11Å; A118-F121 PolarHBondContact O-N 2.99Å; H119-F121 VanDerWaalsContact C-N 3.34Å; H119-F121 PolarHBondContact O-N 3.14Å; F121-D124 PolarHBondContact O-N 3.29Å; F121-R125 WeakPolarHBondContact O-CB 3.3Å; F121-R125 VanDerWaalsContact O-CG 3.31Å; F121-R125 WeakPolarHBondContact O-CG 3.39Å; F121-R125 PolarHBondContact O-N 3.01Å
122N95.5Very high94.9Very high3 Ų352.1 Ų52.12%0.01626%0.256CS..Hα-helixtrans-64-43.2177.5-69.7-25.8000111.7L46 T49 L50 A118 H119 L120 R125 Y126L46-N122 HydrophobicContact CD1-CB 4.22Å; L46-N122 HydrophobicContact CD2-CB 3.84Å; L46-N122 WeakPolarHBondContact CD2-O 3.22Å; T49-N122 VanDerWaalsContact CB-OD1 3.26Å; T49-N122 WeakPolarHBondContact CB-OD1 3.39Å; T49-N122 PolarHBondContact O-ND2 3.33Å; T49-N122 PolarHBondContact OG1-OD1 2.74Å; L50-N122 PolarHBondContact N-OD1 3.45Å; A118-N122 WeakPolarHBondContact O-CB 3.38Å; A118-N122 PolarHBondContact O-N 2.8Å; A118-N122 PolarHBondContact O-ND2 2.76Å; H119-N122 PolarHBondContact O-N 3.5Å; H119-N122 VanDerWaalsContact O-N 3.15Å; L120-N122 VanDerWaalsContact C-N 3.34Å; L120-N122 PolarHBondContact O-N 2.97Å; N122-R125 PolarHBondContact O-N 2.7Å; N122-Y126 WeakPolarHBondContact O-CB 3.45Å; N122-Y126 WeakPolarHBondContact O-CD2 3.22Å; N122-Y126 PolarHBondContact O-N 2.56Å
123F93.8Very high94.3Very high20 Ų2056.5 Ų56.59%0.08828%0.283CS..Hα-helixtrans-67.1-38.8177-82.1-66.6000112.8H119 L120 Y126 S127 P157 V165 V168H119-F123 VanDerWaalsContact O-CD2 3.22Å; H119-F123 WeakPolarHBondContact O-CD2 3.43Å; H119-F123 PolarHBondContact O-N 3.17Å; L120-F123 PolarHBondContact O-N 3.02Å; F123-Y126 PolarHBondContact O-N 3.17Å; F123-S127 WeakPolarHBondContact O-CB 3.36Å; F123-S127 PolarHBondContact O-N 3.39Å; F123-P157 HydrophobicContact CE1-CG 4.32Å; F123-V165 HydrophobicContact CB-CG1 3.7Å; F123-V165 HydrophobicContact CB-CG2 4.42Å; F123-V165 HydrophobicContact CD1-CG1 4.38Å; F123-V165 HydrophobicContact CG-CG1 4.08Å; F123-V168 HydrophobicContact CE1-CB 4.42Å; F123-V168 HydrophobicContact CE1-CG1 3.75Å; F123-V168 HydrophobicContact CZ-CG1 4.42Å
124D93.9Very high93.8Very high58 Ų5859.5 Ų59.531%0.3129%0.292SS..Hα-helixtrans-61.1-45172.2172.170.5000111.3L120 F121 Y126 S127 R128L120-D124 PolarHBondContact O-N 3.32Å; F121-D124 PolarHBondContact O-N 3.29Å; D124-Y126 PolarHBondContact O-N 3.21Å; D124-S127 WeakPolarHBondContact O-CB 3.29Å; D124-S127 PolarHBondContact O-N 3.46Å; D124-R128 VanDerWaalsContact CG-NE 3.33Å; D124-R128 WeakPolarHBondContact O-CG 3.32Å; D124-R128 PolarHBondContact O-N 2.71Å; D124-R128 IonicContact OD1-CZ 3.96Å; D124-R128 IonicContact OD1-NE 2.89Å; D124-R128 PolarHBondContact OD1-NE 3.28Å; D124-R128 IonicContact OD1-NH2 2.76Å; D124-R128 PolarHBondContact OD1-NH2 3.46Å; D124-R128 IonicContact OD2-CZ 3.01Å; D124-R128 IonicContact OD2-NE 3.28Å; D124-R128 PolarHBondContact OD2-NE 3.32Å; D124-R128 IonicContact OD2-NH1 2.75Å; D124-R128 IonicContact OD2-NH2 3.91Å; D124-R128 PolarHBondContact OD2-NH2 2.89Å
125R95.1Very high93.2Very high89 Ų8959.2 Ų59.234%0.33630%0.301SS..Hα-helixtrans-63.5-41.2175.8-73.3177.3178-176.7-5.2112.6L46 T49 F121 N122 S127 S129L46-R125 HydrophobicContact CD2-CB 4.13Å; L46-R125 WeakPolarHBondContact O-CD 3.46Å; L46-R125 PolarHBondContact O-NH1 2.96Å; T49-R125 PolarHBondContact OG1-NH1 3.29Å; T49-R125 VanDerWaalsContact OG1-NH1 3.14Å; F121-R125 WeakPolarHBondContact O-CB 3.3Å; F121-R125 VanDerWaalsContact O-CG 3.31Å; F121-R125 WeakPolarHBondContact O-CG 3.39Å; F121-R125 PolarHBondContact O-N 3.01Å; N122-R125 PolarHBondContact O-N 2.7Å; R125-S127 VanDerWaalsContact C-N 3.34Å; R125-S129 VanDerWaalsContact O-CB 3.32Å; R125-S129 WeakPolarHBondContact O-CB 3.35Å; R125-S129 PolarHBondContact O-N 3.28Å; R125-S129 PolarHBondContact O-OG 2.93Å
126Y94.3Very high92.9Very high7 Ų759.9 Ų59.93%0.02731%0.308CS..Hα-helixtrans-61.6-41.5172.6-79.9-46000112.2I45 L46 N122 F123 D124 S129 R130 N156 P157I45-Y126 HydrophobicContact CG2-CD1 3.76Å; I45-Y126 HydrophobicContact CG2-CE1 4Å; L46-Y126 HydrophobicContact CD1-CE1 4.36Å; L46-Y126 HydrophobicContact CD1-CE2 3.92Å; L46-Y126 WeakPolarHBondContact CD1-OH 3.28Å; L46-Y126 HydrophobicContact CD2-CD1 3.96Å; L46-Y126 HydrophobicContact CD2-CD2 3.88Å; L46-Y126 HydrophobicContact CD2-CE1 3.76Å; L46-Y126 HydrophobicContact CD2-CE2 3.71Å; L46-Y126 HydrophobicContact CD2-CG 4.02Å; L46-Y126 HydrophobicContact CG-CE1 4.04Å; L46-Y126 HydrophobicContact CG-CE2 4.25Å; N122-Y126 WeakPolarHBondContact O-CB 3.45Å; N122-Y126 WeakPolarHBondContact O-CD2 3.22Å; N122-Y126 PolarHBondContact O-N 2.56Å; F123-Y126 PolarHBondContact O-N 3.17Å; D124-Y126 PolarHBondContact O-N 3.21Å; Y126-S129 WeakPolarHBondContact CA-OG 3.37Å; Y126-S129 PolarHBondContact O-OG 2.72Å; Y126-R130 WeakPolarHBondContact O-CB 3.5Å; Y126-R130 PolarHBondContact O-N 3.22Å; Y126-R130 VanDerWaalsContact O-N 3.09Å; Y126-N156 WeakPolarHBondContact CB-OD1 3.48Å; Y126-N156 HydrophobicContact CD1-CB 4.04Å; Y126-N156 HydrophobicContact CE1-CB 4.4Å; Y126-N156 PolarHBondContact O-ND2 3.07Å; Y126-P157 HydrophobicContact CD2-CG 3.83Å; Y126-P157 HydrophobicContact CE2-CG 3.92Å; Y126-P157 HydrophobicContact CG-CG 4.28Å
127S94.1Very high92.6Very high22 Ų2258.4 Ų58.415%0.15430%0.3CS..Hα-helixtrans-64.3-49.5178.6-175.50000111.4F123 D124 R125 S129 R130 Q131F123-S127 WeakPolarHBondContact O-CB 3.36Å; F123-S127 PolarHBondContact O-N 3.39Å; D124-S127 WeakPolarHBondContact O-CB 3.29Å; D124-S127 PolarHBondContact O-N 3.46Å; R125-S127 VanDerWaalsContact C-N 3.34Å; S127-S129 PolarHBondContact O-N 3.2Å; S127-R130 PolarHBondContact O-N 3.2Å; S127-Q131 WeakPolarHBondContact O-CG 3.49Å; S127-Q131 PolarHBondContact O-N 3.34Å; S127-Q131 VanDerWaalsContact O-N 3.12Å; S127-Q131 PolarHBondContact OG-NE2 2.86Å
128R93.3Very high92.4Very high162 Ų16255.9 Ų55.961%0.61129%0.289SS*.Hα-helixtrans-61.7-44.3179-68.1178.5-165.4-163.35.2112.5D124 R130 Q131 A132D124-R128 VanDerWaalsContact CG-NE 3.33Å; D124-R128 WeakPolarHBondContact O-CG 3.32Å; D124-R128 PolarHBondContact O-N 2.71Å; D124-R128 IonicContact OD1-CZ 3.96Å; D124-R128 IonicContact OD1-NE 2.89Å; D124-R128 PolarHBondContact OD1-NE 3.28Å; D124-R128 IonicContact OD1-NH2 2.76Å; D124-R128 PolarHBondContact OD1-NH2 3.46Å; D124-R128 IonicContact OD2-CZ 3.01Å; D124-R128 IonicContact OD2-NE 3.28Å; D124-R128 PolarHBondContact OD2-NE 3.32Å; D124-R128 IonicContact OD2-NH1 2.75Å; D124-R128 IonicContact OD2-NH2 3.91Å; D124-R128 PolarHBondContact OD2-NH2 2.89Å; R128-R130 VanDerWaalsContact C-N 3.34Å; R128-R130 PolarHBondContact O-N 3.25Å; R128-Q131 PolarHBondContact O-N 2.91Å; R128-A132 PolarHBondContact O-N 2.87Å; R128-A132 VanDerWaalsContact O-N 3.07Å
129S92.9Very high92.1Very high7 Ų756.4 Ų56.45%0.04929%0.293CS..Hα-helixtrans-66.8-32.4179.654.90000113.1I45 R125 Y126 S127 V138 S142 N156I45-S129 WeakPolarHBondContact CG2-OG 3.45Å; R125-S129 VanDerWaalsContact O-CB 3.32Å; R125-S129 WeakPolarHBondContact O-CB 3.35Å; R125-S129 PolarHBondContact O-N 3.28Å; R125-S129 PolarHBondContact O-OG 2.93Å; Y126-S129 WeakPolarHBondContact CA-OG 3.37Å; Y126-S129 PolarHBondContact O-OG 2.72Å; S127-S129 PolarHBondContact O-N 3.2Å; S129-V138 VanDerWaalsContact CB-CG1 3.44Å; S129-S142 WeakPolarHBondContact CB-OG 3.43Å; S129-S142 PolarHBondContact OG-OG 3.36Å; S129-S142 VanDerWaalsContact OG-OG 3.09Å; S129-N156 PolarHBondContact OG-ND2 2.88Å
130R91.9Very high91.8Very high40 Ų4056.6 Ų56.615%0.15130%0.295CS..Hα-helixtrans-71.6-30.4173.1-173.164.7-171.2-173.610113Y126 S127 R128 S142 S143 I158 Q159Y126-R130 WeakPolarHBondContact O-CB 3.5Å; Y126-R130 PolarHBondContact O-N 3.22Å; Y126-R130 VanDerWaalsContact O-N 3.09Å; S127-R130 PolarHBondContact O-N 3.2Å; R128-R130 VanDerWaalsContact C-N 3.34Å; R128-R130 PolarHBondContact O-N 3.25Å; R130-S142 WeakPolarHBondContact CD-O 3.3Å; R130-S142 PolarHBondContact NH1-O 3.31Å; R130-S143 VanDerWaalsContact NH1-C 3.28Å; R130-S143 PolarHBondContact NH1-O 3.17Å; R130-I158 HydrophobicContact CB-CG2 4.46Å; R130-I158 VanDerWaalsContact CD-O 3.29Å; R130-I158 WeakPolarHBondContact CD-O 3.45Å; R130-I158 HydrophobicContact CG-CG2 4.21Å; R130-I158 WeakPolarHBondContact CG-O 3.27Å; R130-Q159 PolarHBondContact NE-O 2.87Å; R130-Q159 PolarHBondContact NH2-O 3.23Å
131Q91.1Very high91.6Very high116 Ų11651.3 Ų51.354%0.54227%0.267SS..Hα-helixtrans-79.7-22.4177.7-69.6175.618.900113.1S127 R128S127-Q131 WeakPolarHBondContact O-CG 3.49Å; S127-Q131 PolarHBondContact O-N 3.34Å; S127-Q131 VanDerWaalsContact O-N 3.12Å; S127-Q131 PolarHBondContact OG-NE2 2.86Å; R128-Q131 PolarHBondContact O-N 2.91Å
132A89.7Confident91.4Very high25 Ų2546.1 Ų46.121%0.20724%0.244CC..  trans-60.8134.6179.900000112.3R128 S139R128-A132 PolarHBondContact O-N 2.87Å; R128-A132 VanDerWaalsContact O-N 3.07Å; A132-S139 PolarHBondContact O-OG 2.83Å
133T85.9Confident91Very high108 Ų10848.8 Ų48.866%0.66326%0.263SS*.  trans-119.517.4178.663.10000112.7G135T133-G135 VanDerWaalsContact C-N 3.25Å; T133-G135 PolarHBondContact O-N 3.02Å
134D86.5Confident90.6Very high110 Ų11048.3 Ų48.359%0.58826%0.261SS*.SBendtrans-81.70.1-171.760.6-5000113.8S136 S139D134-S136 VanDerWaalsContact CG-OG 3.25Å; D134-S136 PolarHBondContact O-N 3.39Å; D134-S136 VanDerWaalsContact O-N 3.13Å; D134-S136 VanDerWaalsContact OD1-CB 3.25Å; D134-S136 WeakPolarHBondContact OD1-CB 3.47Å; D134-S136 PolarHBondContact OD1-N 2.92Å; D134-S136 VanDerWaalsContact OD1-N 3.09Å; D134-S136 PolarHBondContact OD1-OG 3.4Å; D134-S136 WeakPolarHBondContact OD2-CB 3.5Å; D134-S136 PolarHBondContact OD2-OG 2.84Å; D134-S139 WeakPolarHBondContact OD1-CB 3.36Å
135G85Confident89.5Confident42 Ų4248.9 Ų48.943%0.43327%0.27SS..  trans65.98.9-175.300000113.5T133 I140T133-G135 VanDerWaalsContact C-N 3.25Å; T133-G135 PolarHBondContact O-N 3.02Å; G135-I140 WeakPolarHBondContact O-CD1 3.16Å
136S91.8Very high88.1Confident35 Ų3549.3 Ų49.325%0.24528%0.275CS..  trans-63.6156.9178.966.50000111.2D134 V138 S139 I140D134-S136 VanDerWaalsContact CG-OG 3.25Å; D134-S136 PolarHBondContact O-N 3.39Å; D134-S136 VanDerWaalsContact O-N 3.13Å; D134-S136 VanDerWaalsContact OD1-CB 3.25Å; D134-S136 WeakPolarHBondContact OD1-CB 3.47Å; D134-S136 PolarHBondContact OD1-N 2.92Å; D134-S136 VanDerWaalsContact OD1-N 3.09Å; D134-S136 PolarHBondContact OD1-OG 3.4Å; D134-S136 WeakPolarHBondContact OD2-CB 3.5Å; D134-S136 PolarHBondContact OD2-OG 2.84Å; S136-V138 PolarHBondContact O-N 2.69Å; S136-V138 VanDerWaalsContact O-N 3.08Å; S136-S139 WeakPolarHBondContact O-CB 3.46Å; S136-S139 PolarHBondContact O-N 2.79Å; S136-S139 PolarHBondContact OG-N 2.87Å; S136-I140 PolarHBondContact O-N 3.4Å
137L90.8Very high86.3Confident25 Ų2552 Ų5213%0.13129%0.29CS..Hα-helixtrans-46.7-41.2171.8175.565.4000112.2Y41 K44 I140 L141 A244 F247 W250Y41-L137 HydrophobicContact CE1-CD1 4.47Å; K44-L137 HydrophobicContact CG-CD2 4.46Å; L137-I140 PolarHBondContact O-N 2.88Å; L137-L141 HydrophobicContact CD1-CD1 3.91Å; L137-L141 HydrophobicContact CD1-CG 4.07Å; L137-L141 HydrophobicContact CD2-CD1 4.49Å; L137-L141 HydrophobicContact CG-CD1 3.79Å; L137-L141 HydrophobicContact CG-CG 4.37Å; L137-L141 WeakPolarHBondContact O-CB 3.38Å; L137-L141 WeakPolarHBondContact O-CD1 3.45Å; L137-L141 WeakPolarHBondContact O-CG 3.27Å; L137-L141 PolarHBondContact O-N 3.31Å; L137-A244 HydrophobicContact CD2-CB 3.97Å; L137-F247 HydrophobicContact CB-CD1 4.31Å; L137-F247 HydrophobicContact CB-CE1 4.49Å; L137-F247 HydrophobicContact CB-CG 4.31Å; L137-F247 HydrophobicContact CD1-CB 3.67Å; L137-F247 HydrophobicContact CD1-CD1 4.44Å; L137-F247 HydrophobicContact CD1-CD2 4.47Å; L137-F247 HydrophobicContact CD1-CG 3.94Å; L137-W250 HydrophobicContact CD1-CH2 3.49Å; L137-W250 VanDerWaalsContact CD1-CH2 3.49Å; L137-W250 HydrophobicContact CD1-CZ2 4.05Å; L137-W250 HydrophobicContact CD1-CZ3 4.23Å
138V92.3Very high84Confident40 Ų4059.1 Ų59.124%0.24232%0.321CS..Hα-helixtrans-67.6-40.5-179.7170.70000112.1K44 I45 S129 S136 S142K44-V138 HydrophobicContact CB-CG2 4.26Å; I45-V138 HydrophobicContact CG1-CG1 4.27Å; S129-V138 VanDerWaalsContact CB-CG1 3.44Å; S136-V138 PolarHBondContact O-N 2.69Å; S136-V138 VanDerWaalsContact O-N 3.08Å; V138-S142 VanDerWaalsContact O-CB 3.29Å; V138-S142 WeakPolarHBondContact O-CB 3.38Å; V138-S142 PolarHBondContact O-N 3.04Å; V138-S142 PolarHBondContact O-OG 3.08Å
139S90.6Very high81.8Confident15 Ų1557.2 Ų57.211%0.10533%0.328CS..Hα-helixtrans-64.6-45.7174.5177.90000110.9A132 D134 S136 S142 S143A132-S139 PolarHBondContact O-OG 2.83Å; D134-S139 WeakPolarHBondContact OD1-CB 3.36Å; S136-S139 WeakPolarHBondContact O-CB 3.46Å; S136-S139 PolarHBondContact O-N 2.79Å; S136-S139 PolarHBondContact OG-N 2.87Å; S139-S142 CarbonylContact O-C 3.59Å; S139-S142 PolarHBondContact O-N 3.38Å; S139-S143 WeakPolarHBondContact O-CB 3.4Å; S139-S143 PolarHBondContact O-N 3.46Å
140I89.6Confident79.7Confident44 Ų4465.3 Ų65.323%0.22636%0.362CS..Hα-helixtrans-63.1-49.4179-68166.7000111.1G135 S136 L137 S142 S143 L144 F247 W250G135-I140 WeakPolarHBondContact O-CD1 3.16Å; S136-I140 PolarHBondContact O-N 3.4Å; L137-I140 PolarHBondContact O-N 2.88Å; I140-S142 PolarHBondContact O-N 2.95Å; I140-S143 WeakPolarHBondContact O-CA 3.29Å; I140-S143 WeakPolarHBondContact O-CB 3.47Å; I140-S143 PolarHBondContact O-N 3.42Å; I140-S143 PolarHBondContact O-OG 3.46Å; I140-L144 PolarHBondContact O-N 3.08Å; I140-F247 HydrophobicContact CD1-CD2 3.47Å; I140-F247 VanDerWaalsContact CD1-CD2 3.47Å; I140-F247 HydrophobicContact CD1-CE2 3.51Å; I140-W250 HydrophobicContact CG2-CZ3 4.4Å
141L90.3Very high77.8Confident0 Ų066.3 Ų66.30%039%0.385CS..Hα-helixtrans-59.1-37.1176.7-73168.3000112.5Y41 I45 L137 S143 L144 L155 W250 P260 F262Y41-L141 HydrophobicContact CD1-CD1 3.83Å; Y41-L141 HydrophobicContact CD1-CD2 4.06Å; Y41-L141 HydrophobicContact CG-CD1 4.35Å; Y41-L141 HydrophobicContact CG-CD2 4.24Å; I45-L141 HydrophobicContact CD1-CB 4.08Å; L137-L141 HydrophobicContact CD1-CD1 3.91Å; L137-L141 HydrophobicContact CD1-CG 4.07Å; L137-L141 HydrophobicContact CD2-CD1 4.49Å; L137-L141 HydrophobicContact CG-CD1 3.79Å; L137-L141 HydrophobicContact CG-CG 4.37Å; L137-L141 WeakPolarHBondContact O-CB 3.38Å; L137-L141 WeakPolarHBondContact O-CD1 3.45Å; L137-L141 WeakPolarHBondContact O-CG 3.27Å; L137-L141 PolarHBondContact O-N 3.31Å; L141-S143 VanDerWaalsContact C-N 3.3Å; L141-L144 HydrophobicContact CD2-CD1 4.18Å; L141-L144 WeakPolarHBondContact O-CB 3.48Å; L141-L144 WeakPolarHBondContact O-CG 3.46Å; L141-L155 HydrophobicContact CB-CD2 4.35Å; L141-L155 HydrophobicContact CD2-CD2 4.45Å; L141-W250 HydrophobicContact CD2-CH2 3.93Å; L141-W250 HydrophobicContact CD2-CZ3 4.09Å; L141-W250 HydrophobicContact CG-CH2 4.49Å; L141-P260 HydrophobicContact CD2-CG 4.09Å; L141-F262 HydrophobicContact CD2-CE2 4.2Å; L141-F262 HydrophobicContact CD2-CZ 3.94Å
142S90.8Very high76.2Confident1 Ų161.8 Ų61.81%0.00737%0.369CS..Hα-helixtrans-74.8-22.6176.1-63.50000112.9S129 R130 V138 S139 I140 L144 N156S129-S142 WeakPolarHBondContact CB-OG 3.43Å; S129-S142 PolarHBondContact OG-OG 3.36Å; S129-S142 VanDerWaalsContact OG-OG 3.09Å; R130-S142 WeakPolarHBondContact CD-O 3.3Å; R130-S142 PolarHBondContact NH1-O 3.31Å; V138-S142 VanDerWaalsContact O-CB 3.29Å; V138-S142 WeakPolarHBondContact O-CB 3.38Å; V138-S142 PolarHBondContact O-N 3.04Å; V138-S142 PolarHBondContact O-OG 3.08Å; S139-S142 CarbonylContact O-C 3.59Å; S139-S142 PolarHBondContact O-N 3.38Å; I140-S142 PolarHBondContact O-N 2.95Å; S142-L144 VanDerWaalsContact C-N 3.34Å; S142-N156 PolarHBondContact OG-ND2 3.25Å
143S88.1Confident75.6Confident59 Ų5961.6 Ų61.641%0.41337%0.367SS..Hα-helixtrans-74.9-23.9178.680.80000113R130 S139 I140 L141 S145R130-S143 VanDerWaalsContact NH1-C 3.28Å; R130-S143 PolarHBondContact NH1-O 3.17Å; S139-S143 WeakPolarHBondContact O-CB 3.4Å; S139-S143 PolarHBondContact O-N 3.46Å; I140-S143 WeakPolarHBondContact O-CA 3.29Å; I140-S143 WeakPolarHBondContact O-CB 3.47Å; I140-S143 PolarHBondContact O-N 3.42Å; I140-S143 PolarHBondContact O-OG 3.46Å; L141-S143 VanDerWaalsContact C-N 3.3Å; S143-S145 PolarHBondContact O-N 3.4Å
144L85Confident75.7Confident9 Ų958.3 Ų58.35%0.04734%0.342CS..  trans-53.1110.5-179.8-63.8175.7000111.4I140 L141 S142 R259 F262I140-L144 PolarHBondContact O-N 3.08Å; L141-L144 HydrophobicContact CD2-CD1 4.18Å; L141-L144 WeakPolarHBondContact O-CB 3.48Å; L141-L144 WeakPolarHBondContact O-CG 3.46Å; S142-L144 VanDerWaalsContact C-N 3.34Å; L144-R259 HydrophobicContact CD2-CG 4.35Å; L144-F262 HydrophobicContact CD1-CD2 4.27Å; L144-F262 HydrophobicContact CD1-CE2 3.71Å
145S70.4Confident75.9Confident70 Ų7053.1 Ų53.149%0.4931%0.314SS..  trans-102.5148.2177.660.30000111.4S143 D147S143-S145 PolarHBondContact O-N 3.4Å; S145-D147 PolarHBondContact O-N 2.77Å; S145-D147 VanDerWaalsContact O-N 3.09Å
146H65.4Low76.2Confident98 Ų9851.1 Ų51.145%0.45429%0.293SS..  trans-69.3103.9171.3-167.3-72.7000109.6G152 W154H146-G152 PolarHBondContact CD2-O 3.23Å; H146-W154 AromaticContact CD2-CD1 3.74Å
147D56.8Low76.1Confident63 Ų6350.2 Ų50.234%0.33729%0.287SS..  trans-98.6106.3168.6-169.7-11.9000108.2S145 T149 K150 G151 G152S145-D147 PolarHBondContact O-N 2.77Å; S145-D147 VanDerWaalsContact O-N 3.09Å; D147-T149 PolarHBondContact O-N 3.37Å; D147-T149 VanDerWaalsContact O-N 3.15Å; D147-T149 PolarHBondContact OD1-N 3.04Å; D147-T149 VanDerWaalsContact OD1-N 3.16Å; D147-T149 PolarHBondContact OD1-OG1 3.47Å; D147-K150 HydrophobicContact CB-CB 4.46Å; D147-K150 PolarHBondContact O-N 3.19Å; D147-G151 PolarHBondContact O-N 3.45Å; D147-G152 PolarHBondContact O-N 3.26Å; D147-G152 VanDerWaalsContact O-N 3.09Å
148E46.9Very low76.1Confident173 Ų17349.1 Ų49.181%0.80828%0.281SS*.THydrogen-bonded Turntrans-60-20.9-179.5-78.5-178.117000112.7
149T45.1Very low75.8Confident122 Ų12248.8 Ų48.875%0.74828%0.277SS*.THydrogen-bonded Turntrans-87.5-14.4-178.764.40000114D147D147-T149 PolarHBondContact O-N 3.37Å; D147-T149 VanDerWaalsContact O-N 3.15Å; D147-T149 PolarHBondContact OD1-N 3.04Å; D147-T149 VanDerWaalsContact OD1-N 3.16Å; D147-T149 PolarHBondContact OD1-OG1 3.47Å
150K50.1Low75.6Confident177 Ų17754.1 Ų54.177%0.7730%0.299SS*.THydrogen-bonded Turntrans-125.98.2-174.5-68-175.8179178.70114.6D147 G152D147-K150 HydrophobicContact CB-CB 4.46Å; D147-K150 PolarHBondContact O-N 3.19Å; K150-G152 VanDerWaalsContact C-N 3.31Å; K150-G152 PolarHBondContact O-N 3.03Å
151G52Low75.4Confident61 Ų6159.5 Ų59.563%0.62932%0.316SS*.THydrogen-bonded Turntrans67.830-176.300000113.2D147 S153D147-G151 PolarHBondContact O-N 3.45Å; G151-S153 PolarHBondContact O-N 3Å
152G56.6Low75.2Confident21 Ų2166.1 Ų66.122%0.21635%0.351CS..  trans-63.8124.8-173.300000113.3H146 D147 K150H146-G152 PolarHBondContact CD2-O 3.23Å; D147-G152 PolarHBondContact O-N 3.26Å; D147-G152 VanDerWaalsContact O-N 3.09Å; K150-G152 VanDerWaalsContact C-N 3.31Å; K150-G152 PolarHBondContact O-N 3.03Å
153S77.8Confident75.1Confident21 Ų2168 Ų6815%0.14736%0.36CS..  trans-91.8134.6173.183.20000111.4G151 P260 E261 F262G151-S153 PolarHBondContact O-N 3Å; S153-P260 PolarHBondContact OG-O 3.31Å; S153-E261 VanDerWaalsContact OG-CA 3.27Å; S153-E261 WeakPolarHBondContact OG-CA 3.37Å; S153-F262 WeakPolarHBondContact OG-CD2 3.23Å; S153-F262 PolarHBondContact OG-N 2.89Å
154W87.8Confident75.2Confident39 Ų3968.4 Ų68.415%0.14836%0.361CS..  trans-105.8155.917561.7-86.6000110.7H146 P157 R228 F262H146-W154 AromaticContact CD2-CD1 3.74Å; W154-P157 HydrophobicContact CH2-CB 4.31Å; W154-P157 HydrophobicContact CZ3-CB 3.83Å; W154-R228 HydrophobicContact CH2-CG 4.45Å; W154-R228 HydrophobicContact CZ3-CG 4.42Å; W154-R228 WeakPolarHBondContact O-CD 3.4Å; W154-R228 PolarHBondContact O-NE 3.4Å; W154-R228 VanDerWaalsContact O-NE 3.07Å; W154-F262 WeakPolarHBondContact O-CB 3.36Å
155L89.9Confident75.4Confident0 Ų069.7 Ų69.70%037%0.369CS..  trans-119.6-36.8174.9-174.258.2000112.6T42 I45 L141 R228 F262T42-L155 HydrophobicContact CG2-CD1 4.07Å; I45-L155 HydrophobicContact CD1-CD2 3.64Å; I45-L155 HydrophobicContact CD1-CG 4.05Å; L141-L155 HydrophobicContact CB-CD2 4.35Å; L141-L155 HydrophobicContact CD2-CD2 4.45Å; L155-R228 HydrophobicContact CD1-CB 4.11Å; L155-F262 HydrophobicContact CB-CD2 3.99Å; L155-F262 HydrophobicContact CB-CE2 4.12Å; L155-F262 HydrophobicContact CB-CG 4.26Å; L155-F262 HydrophobicContact CD1-CD1 3.77Å; L155-F262 HydrophobicContact CD1-CE1 4.04Å; L155-F262 HydrophobicContact CD1-CG 4.06Å; L155-F262 HydrophobicContact CD2-CD1 4.45Å; L155-F262 HydrophobicContact CD2-CE1 3.94Å; L155-F262 HydrophobicContact CD2-CE2 4.2Å; L155-F262 HydrophobicContact CD2-CZ 3.8Å; L155-F262 HydrophobicContact CG-CE1 4.47Å
156N92.2Very high76.4Confident0 Ų072 Ų720%037%0.372CS..  trans-94.3122.1179.6-170.2-28000110.5Y126 S129 S142 I158 Q159Y126-N156 WeakPolarHBondContact CB-OD1 3.48Å; Y126-N156 HydrophobicContact CD1-CB 4.04Å; Y126-N156 HydrophobicContact CE1-CB 4.4Å; Y126-N156 PolarHBondContact O-ND2 3.07Å; S129-N156 PolarHBondContact OG-ND2 2.88Å; S142-N156 PolarHBondContact OG-ND2 3.25Å; N156-I158 PolarHBondContact O-N 3.47Å; N156-I158 WeakPolarHBondContact OD1-CB 3.32Å; N156-I158 PolarHBondContact OD1-N 3.42Å; N156-Q159 PolarHBondContact O-NE2 2.79Å
157P90.3Very high77.7Confident16 Ų1673.7 Ų73.710%0.10438%0.375CS..SBendtrans-66.6-18.4178.527.6-34.9000113.4F123 Y126 W154 Q159 V168 I226F123-P157 HydrophobicContact CE1-CG 4.32Å; Y126-P157 HydrophobicContact CD2-CG 3.83Å; Y126-P157 HydrophobicContact CE2-CG 3.92Å; Y126-P157 HydrophobicContact CG-CG 4.28Å; W154-P157 HydrophobicContact CH2-CB 4.31Å; W154-P157 HydrophobicContact CZ3-CB 3.83Å; P157-Q159 PolarHBondContact O-N 3.41Å; P157-V168 HydrophobicContact CB-CG1 4.26Å; P157-I226 HydrophobicContact CB-CG2 4.07Å; P157-I226 HydrophobicContact CG-CG2 3.97Å
158I90.7Very high79.3Confident3 Ų371 Ų712%0.01536%0.361CS..  trans-85.894.3174.9-57.8172.8000108.2R130 N156 M163 V165 V168R130-I158 HydrophobicContact CB-CG2 4.46Å; R130-I158 VanDerWaalsContact CD-O 3.29Å; R130-I158 WeakPolarHBondContact CD-O 3.45Å; R130-I158 HydrophobicContact CG-CG2 4.21Å; R130-I158 WeakPolarHBondContact CG-O 3.27Å; N156-I158 PolarHBondContact O-N 3.47Å; N156-I158 WeakPolarHBondContact OD1-CB 3.32Å; N156-I158 PolarHBondContact OD1-N 3.42Å; I158-M163 HydrophobicContact CG2-CB 4.05Å; I158-M163 HydrophobicContact CG2-CG 4.35Å; I158-V165 HydrophobicContact CD1-CG2 4.22Å; I158-V168 HydrophobicContact CG1-CG2 3.99Å
159Q86.3Confident81.3Confident33 Ų3364.1 Ų64.115%0.15433%0.331CS..  trans-79.6-20.3-172.1-67.7-67.3-50.800114.1R130 N156 P157R130-Q159 PolarHBondContact NE-O 2.87Å; R130-Q159 PolarHBondContact NH2-O 3.23Å; N156-Q159 PolarHBondContact O-NE2 2.79Å; P157-Q159 PolarHBondContact O-N 3.41Å
160F86.4Confident83.6Confident127 Ų12764 Ų6456%0.55732%0.32SS*.SBendtrans-133.2149.5-177.9-56.8-76.1000110.8N162 M163F160-N162 WeakPolarHBondContact CB-OD1 3.39Å; F160-N162 PolarHBondContact O-N 3.48Å; F160-M163 HydrophobicContact CB-CB 4.33Å; F160-M163 HydrophobicContact CD2-CE 4.01Å; F160-M163 VanDerWaalsContact O-CB 3.32Å; F160-M163 WeakPolarHBondContact O-CB 3.46Å; F160-M163 PolarHBondContact O-N 3.44Å; F160-M163 VanDerWaalsContact O-N 3.08Å
161R84.6Confident85.6Confident156 Ų15659.5 Ų59.559%0.58931%0.307SS*.THydrogen-bonded Turntrans-66-23.4-179.1-68.4-174.6-179.9167.66.4113.5
162N86.8Confident87.4Confident139 Ų13957.5 Ų57.574%0.74328%0.284SS*.THydrogen-bonded Turntrans-87.2-7.2175.965-12.5000113.2F160F160-N162 WeakPolarHBondContact CB-OD1 3.39Å; F160-N162 PolarHBondContact O-N 3.48Å
163M87.9Confident89.1Confident40 Ų4060.7 Ų60.720%0.19730%0.295CS..  trans-79.2122.5179.4-177.1178.8-80.100109.3I158 F160 Y167 V168I158-M163 HydrophobicContact CG2-CB 4.05Å; I158-M163 HydrophobicContact CG2-CG 4.35Å; F160-M163 HydrophobicContact CB-CB 4.33Å; F160-M163 HydrophobicContact CD2-CE 4.01Å; F160-M163 VanDerWaalsContact O-CB 3.32Å; F160-M163 WeakPolarHBondContact O-CB 3.46Å; F160-M163 PolarHBondContact O-N 3.44Å; F160-M163 VanDerWaalsContact O-N 3.08Å; M163-Y167 HydrophobicContact CE-CD1 4.05Å; M163-Y167 HydrophobicContact CE-CE1 3.86Å; M163-Y167 HydrophobicContact CG-CD1 3.79Å; M163-Y167 HydrophobicContact CG-CG 4.49Å; M163-Y167 HydrophobicContact SD-CD1 4.25Å; M163-V168 HydrophobicContact CG-CG2 3.7Å; M163-V168 HydrophobicContact SD-CG2 3.44Å; M163-V168 WeakPolarHBondContact SD-CG2 3.4Å
164T89.8Confident89.8Confident69 Ų6960.4 Ų60.442%0.42329%0.294SS..  trans-88.3161.3-178.681.20000111.9E166 Y167 V168T164-E166 VanDerWaalsContact C-N 3.26Å; T164-E166 WeakPolarHBondContact CB-OE2 3.42Å; T164-E166 PolarHBondContact O-N 3.36Å; T164-E166 PolarHBondContact OG1-OE2 2.96Å; T164-Y167 PolarHBondContact O-N 2.69Å; T164-Y167 PolarHBondContact OG1-N 2.96Å; T164-V168 PolarHBondContact O-N 2.72Å
165V90.7Very high90Very high36 Ų3659 Ų5922%0.21829%0.292CS..Hα-helixtrans-62.6-37.4177.2173.80000110.8F123 I158 V168 T169F123-V165 HydrophobicContact CB-CG1 3.7Å; F123-V165 HydrophobicContact CB-CG2 4.42Å; F123-V165 HydrophobicContact CD1-CG1 4.38Å; F123-V165 HydrophobicContact CG-CG1 4.08Å; I158-V165 HydrophobicContact CD1-CG2 4.22Å; V165-V168 PolarHBondContact O-N 2.94Å; V165-T169 WeakPolarHBondContact O-CB 3.38Å; V165-T169 PolarHBondContact O-N 2.82Å; V165-T169 PolarHBondContact O-OG1 3.45Å
166E91.2Very high90.2Very high118 Ų11862.7 Ų62.755%0.55131%0.311SS*.Hα-helixtrans-62.5-44.8176.9-55.878.2-171.900110.6T164 V168 T169 F170T164-E166 VanDerWaalsContact C-N 3.26Å; T164-E166 WeakPolarHBondContact CB-OE2 3.42Å; T164-E166 PolarHBondContact O-N 3.36Å; T164-E166 PolarHBondContact OG1-OE2 2.96Å; E166-V168 PolarHBondContact O-N 3.38Å; E166-T169 WeakPolarHBondContact O-CB 3.17Å; E166-T169 PolarHBondContact O-N 3.35Å; E166-T169 VanDerWaalsContact O-N 3.17Å; E166-F170 VanDerWaalsContact O-CD2 3.28Å; E166-F170 WeakPolarHBondContact O-CD2 3.36Å; E166-F170 PolarHBondContact O-N 3.46Å
167Y91.6Very high90.3Very high134 Ų13463.3 Ų63.353%0.52532%0.315SS..Hα-helixtrans-57.2-50.2177.3-177.2-89.8000111M163 T164 T169 F170 T171M163-Y167 HydrophobicContact CE-CD1 4.05Å; M163-Y167 HydrophobicContact CE-CE1 3.86Å; M163-Y167 HydrophobicContact CG-CD1 3.79Å; M163-Y167 HydrophobicContact CG-CG 4.49Å; M163-Y167 HydrophobicContact SD-CD1 4.25Å; T164-Y167 PolarHBondContact O-N 2.69Å; T164-Y167 PolarHBondContact OG1-N 2.96Å; Y167-T169 VanDerWaalsContact C-N 3.3Å; Y167-T169 PolarHBondContact O-N 3.29Å; Y167-F170 PolarHBondContact O-N 3.39Å; Y167-T171 HydrophobicContact CD1-CG2 4.21Å; Y167-T171 HydrophobicContact CD2-CG2 4.12Å; Y167-T171 HydrophobicContact CE1-CG2 3.9Å; Y167-T171 HydrophobicContact CE2-CG2 3.82Å; Y167-T171 HydrophobicContact CG-CG2 4.32Å; Y167-T171 WeakPolarHBondContact O-CB 3.27Å; Y167-T171 VanDerWaalsContact O-CG2 3.31Å; Y167-T171 WeakPolarHBondContact O-CG2 3.48Å; Y167-T171 PolarHBondContact O-N 2.86Å; Y167-T171 PolarHBondContact O-OG1 2.94Å
168V89.7Confident90.6Very high6 Ų663.3 Ų63.34%0.03632%0.318CS..Hα-helixtrans-64.1-36.9178.4-179.50000111.7F123 P157 I158 M163 T164 V165 E166 F170 S172F123-V168 HydrophobicContact CE1-CB 4.42Å; F123-V168 HydrophobicContact CE1-CG1 3.75Å; F123-V168 HydrophobicContact CZ-CG1 4.42Å; P157-V168 HydrophobicContact CB-CG1 4.26Å; I158-V168 HydrophobicContact CG1-CG2 3.99Å; M163-V168 HydrophobicContact CG-CG2 3.7Å; M163-V168 HydrophobicContact SD-CG2 3.44Å; M163-V168 WeakPolarHBondContact SD-CG2 3.4Å; T164-V168 PolarHBondContact O-N 2.72Å; V165-V168 PolarHBondContact O-N 2.94Å; E166-V168 PolarHBondContact O-N 3.38Å; V168-F170 PolarHBondContact O-N 2.88Å; V168-S172 WeakPolarHBondContact O-CB 3.35Å; V168-S172 PolarHBondContact O-N 2.92Å; V168-S172 PolarHBondContact O-OG 3Å
169T90.5Very high90.8Very high29 Ų2965.3 Ų65.318%0.17833%0.33CS..Hα-helixtrans-63.3-40.8178.4-58.70000111.7V165 E166 Y167 G175 L176 V179V165-T169 WeakPolarHBondContact O-CB 3.38Å; V165-T169 PolarHBondContact O-N 2.82Å; V165-T169 PolarHBondContact O-OG1 3.45Å; E166-T169 WeakPolarHBondContact O-CB 3.17Å; E166-T169 PolarHBondContact O-N 3.35Å; E166-T169 VanDerWaalsContact O-N 3.17Å; Y167-T169 VanDerWaalsContact C-N 3.3Å; Y167-T169 PolarHBondContact O-N 3.29Å; T169-G175 CarbonylContact O-C 3.58Å; T169-G175 WeakPolarHBondContact O-CA 3.48Å; T169-L176 PolarHBondContact O-N 2.97Å; T169-V179 HydrophobicContact CG2-CG2 4.07Å
170F93.1Very high91.3Very high120 Ų12067.8 Ų67.853%0.52634%0.344SS..Hα-helixtrans-93.9-11.8-177-71-72.5000115E166 Y167 V168 L176 V179E166-F170 VanDerWaalsContact O-CD2 3.28Å; E166-F170 WeakPolarHBondContact O-CD2 3.36Å; E166-F170 PolarHBondContact O-N 3.46Å; Y167-F170 PolarHBondContact O-N 3.39Å; V168-F170 PolarHBondContact O-N 2.88Å; F170-L176 HydrophobicContact CD1-CD1 4.34Å; F170-V179 HydrophobicContact CE1-CG1 4.23Å; F170-V179 HydrophobicContact CE1-CG2 4.3Å
171T91Very high91.7Very high81 Ų8162.4 Ų62.450%0.49732%0.321SS..Hα-helixtrans-103.4-23.8177.758.10000113.8Y167Y167-T171 HydrophobicContact CD1-CG2 4.21Å; Y167-T171 HydrophobicContact CD2-CG2 4.12Å; Y167-T171 HydrophobicContact CE1-CG2 3.9Å; Y167-T171 HydrophobicContact CE2-CG2 3.82Å; Y167-T171 HydrophobicContact CG-CG2 4.32Å; Y167-T171 WeakPolarHBondContact O-CB 3.27Å; Y167-T171 VanDerWaalsContact O-CG2 3.31Å; Y167-T171 WeakPolarHBondContact O-CG2 3.48Å; Y167-T171 PolarHBondContact O-N 2.86Å; Y167-T171 PolarHBondContact O-OG1 2.94Å
172S91.2Very high92.3Very high20 Ų2056.7 Ų56.714%0.1430%0.303CS..SBendtrans-80.6145176.171.30000112V168 A174 G175 L176V168-S172 WeakPolarHBondContact O-CB 3.35Å; V168-S172 PolarHBondContact O-N 2.92Å; V168-S172 PolarHBondContact O-OG 3Å; S172-A174 VanDerWaalsContact C-N 3.31Å; S172-A174 PolarHBondContact O-N 2.89Å; S172-G175 PolarHBondContact O-N 3.17Å; S172-G175 PolarHBondContact OG-N 2.97Å; S172-G175 VanDerWaalsContact OG-N 3.09Å; S172-L176 WeakPolarHBondContact O-CB 3.33Å; S172-L176 PolarHBondContact O-N 2.98Å
173I92.4Very high92.8Very high87 Ų8754.6 Ų54.645%0.44629%0.291SS..Hα-helixtrans-56.2-47.4176.8-63.8173.5000110.3T177I173-T177 HydrophobicContact CG2-CG2 4.29Å; I173-T177 VanDerWaalsContact O-CB 3.3Å; I173-T177 WeakPolarHBondContact O-CB 3.33Å; I173-T177 WeakPolarHBondContact O-CG2 3.36Å; I173-T177 PolarHBondContact O-N 2.81Å; I173-T177 VanDerWaalsContact O-N 3.08Å; I173-T177 PolarHBondContact O-OG1 3.22Å
174A91.6Very high93.3Very high16 Ų1653 Ų5313%0.13228%0.284CS..Hα-helixtrans-66.7-41.6-178.400000111.9S172 T177 G178 H221 I226S172-A174 VanDerWaalsContact C-N 3.31Å; S172-A174 PolarHBondContact O-N 2.89Å; A174-T177 PolarHBondContact O-OG1 2.9Å; A174-G178 PolarHBondContact O-N 2.86Å; A174-H221 WeakPolarHBondContact CA-O 3.49Å; A174-H221 WeakPolarHBondContact CB-O 3.39Å; A174-H221 PolarHBondContact O-CE1 3.34Å; A174-H221 PolarHBondContact O-ND1 2.88Å; A174-I226 HydrophobicContact CB-CD1 3.6Å; A174-I226 HydrophobicContact CB-CG1 4.16Å
175G92.3Very high93.6Very high10 Ų1050.6 Ų50.610%0.10327%0.268CS..Hα-helixtrans-64.3-52.1178.500000112.6T169 S172 T177 G178 V179T169-G175 CarbonylContact O-C 3.58Å; T169-G175 WeakPolarHBondContact O-CA 3.48Å; S172-G175 PolarHBondContact O-N 3.17Å; S172-G175 PolarHBondContact OG-N 2.97Å; S172-G175 VanDerWaalsContact OG-N 3.09Å; G175-T177 PolarHBondContact O-N 3.24Å; G175-G178 PolarHBondContact O-N 3Å; G175-V179 WeakPolarHBondContact O-CG2 3.26Å; G175-V179 PolarHBondContact O-N 3.2Å
176L93.9Very high93.9Very high76 Ų7653.7 Ų53.740%0.39828%0.282SS..Hα-helixtrans-63.7-46.1-176.7-178.263.2000111.6T169 F170 S172 G178 V179 I180T169-L176 PolarHBondContact O-N 2.97Å; F170-L176 HydrophobicContact CD1-CD1 4.34Å; S172-L176 WeakPolarHBondContact O-CB 3.33Å; S172-L176 PolarHBondContact O-N 2.98Å; L176-G178 VanDerWaalsContact C-N 3.33Å; L176-G178 PolarHBondContact O-N 2.89Å; L176-V179 PolarHBondContact O-N 3.42Å; L176-I180 HydrophobicContact CD1-CD1 4.26Å; L176-I180 HydrophobicContact CG-CD1 4.05Å; L176-I180 WeakPolarHBondContact O-CG1 3.5Å; L176-I180 PolarHBondContact O-N 3.09Å
177T95.3Very high94.2Very high14 Ų1452.1 Ų52.19%0.08628%0.278CS..Hα-helixtrans-64-38.9176.8560000111.6I173 A174 G175 V179 I180 M181 I220 H221I173-T177 HydrophobicContact CG2-CG2 4.29Å; I173-T177 VanDerWaalsContact O-CB 3.3Å; I173-T177 WeakPolarHBondContact O-CB 3.33Å; I173-T177 WeakPolarHBondContact O-CG2 3.36Å; I173-T177 PolarHBondContact O-N 2.81Å; I173-T177 VanDerWaalsContact O-N 3.08Å; I173-T177 PolarHBondContact O-OG1 3.22Å; A174-T177 PolarHBondContact O-OG1 2.9Å; G175-T177 PolarHBondContact O-N 3.24Å; T177-V179 PolarHBondContact O-N 3.23Å; T177-I180 PolarHBondContact O-N 3.34Å; T177-M181 WeakPolarHBondContact O-CB 3.3Å; T177-M181 WeakPolarHBondContact O-CG 3.47Å; T177-M181 PolarHBondContact O-N 2.96Å; T177-I220 HydrophobicContact CG2-CD1 3.69Å; T177-I220 HydrophobicContact CG2-CG1 3.85Å; T177-H221 WeakPolarHBondContact OG1-CA 3.35Å; T177-H221 PolarHBondContact OG1-ND1 2.91Å
178G94.8Very high94.4Very high16 Ų1646.4 Ų46.417%0.16526%0.256CS..Hα-helixtrans-60.7-42.5176.100000112.6A174 G175 L176 T182 H221A174-G178 PolarHBondContact O-N 2.86Å; G175-G178 PolarHBondContact O-N 3Å; L176-G178 VanDerWaalsContact C-N 3.33Å; L176-G178 PolarHBondContact O-N 2.89Å; G178-T182 WeakPolarHBondContact O-CB 3.47Å; G178-T182 PolarHBondContact O-N 3.01Å; G178-T182 PolarHBondContact O-OG1 3.35Å; G178-H221 PolarHBondContact N-ND1 2.86Å
179V95.6Very high94.7Very high44 Ų4448.6 Ų48.627%0.26727%0.269SS..Hα-helixtrans-64.6-49.5175.8173.90000111.2T169 F170 G175 L176 T177 M181 T182 I183T169-V179 HydrophobicContact CG2-CG2 4.07Å; F170-V179 HydrophobicContact CE1-CG1 4.23Å; F170-V179 HydrophobicContact CE1-CG2 4.3Å; G175-V179 WeakPolarHBondContact O-CG2 3.26Å; G175-V179 PolarHBondContact O-N 3.2Å; L176-V179 PolarHBondContact O-N 3.42Å; T177-V179 PolarHBondContact O-N 3.23Å; V179-M181 VanDerWaalsContact C-N 3.35Å; V179-M181 PolarHBondContact O-N 3.2Å; V179-T182 PolarHBondContact O-N 3.13Å; V179-I183 HydrophobicContact CG1-CD1 3.83Å; V179-I183 HydrophobicContact CG1-CG1 4.49Å; V179-I183 WeakPolarHBondContact O-CG1 3.12Å; V179-I183 PolarHBondContact O-N 3.19Å
180I96.3Very high94.9Very high85 Ų8550.8 Ų50.844%0.43628%0.283SS..Hα-helixtrans-58.6-47.2179.6-67.8168.5000110.8L176 T177 T182 I183 A184L176-I180 HydrophobicContact CD1-CD1 4.26Å; L176-I180 HydrophobicContact CG-CD1 4.05Å; L176-I180 WeakPolarHBondContact O-CG1 3.5Å; L176-I180 PolarHBondContact O-N 3.09Å; T177-I180 PolarHBondContact O-N 3.34Å; I180-T182 VanDerWaalsContact C-N 3.33Å; I180-T182 PolarHBondContact O-N 3.49Å; I180-I183 PolarHBondContact O-N 3.41Å; I180-A184 WeakPolarHBondContact O-CB 3.22Å; I180-A184 PolarHBondContact O-N 3.24Å
181M96.6Very high95Very high15 Ų1545.4 Ų45.47%0.07426%0.26CS..Hα-helixtrans-61.6-40.6177.8-72.6171.765.300112.2T177 V179 A184 L185 Y214 L218 H221T177-M181 WeakPolarHBondContact O-CB 3.3Å; T177-M181 WeakPolarHBondContact O-CG 3.47Å; T177-M181 PolarHBondContact O-N 2.96Å; V179-M181 VanDerWaalsContact C-N 3.35Å; V179-M181 PolarHBondContact O-N 3.2Å; M181-A184 PolarHBondContact O-N 3.13Å; M181-L185 WeakPolarHBondContact O-CB 3.26Å; M181-L185 PolarHBondContact O-N 2.99Å; M181-Y214 HydrophobicContact CB-CD2 4.2Å; M181-Y214 HydrophobicContact CE-CD2 3.96Å; M181-Y214 HydrophobicContact CE-CE2 3.79Å; M181-L218 HydrophobicContact CE-CB 3.72Å; M181-L218 HydrophobicContact CE-CD1 3.89Å; M181-L218 HydrophobicContact CE-CG 4.41Å; M181-L218 PolarHBondContact SD-N 3.2Å; M181-L218 VanDerWaalsContact SD-N 3.37Å; M181-H221 HydrophobicContact SD-CB 4.18Å
182T96.6Very high95.2Very high36 Ų3643.1 Ų43.122%0.22125%0.249CC..Hα-helixtrans-66.6-44.4-179.5-59.40000111.1I116 G178 V179 I180 L185 I186I116-T182 HydrophobicContact CD1-CG2 3.69Å; G178-T182 WeakPolarHBondContact O-CB 3.47Å; G178-T182 PolarHBondContact O-N 3.01Å; G178-T182 PolarHBondContact O-OG1 3.35Å; V179-T182 PolarHBondContact O-N 3.13Å; I180-T182 VanDerWaalsContact C-N 3.33Å; I180-T182 PolarHBondContact O-N 3.49Å; T182-L185 PolarHBondContact O-N 2.68Å; T182-I186 HydrophobicContact CG2-CD1 3.96Å; T182-I186 WeakPolarHBondContact O-CG1 3.27Å; T182-I186 PolarHBondContact O-N 3.19Å
183I97Very high95.2Very high95 Ų9545.1 Ų45.149%0.48726%0.261SS..Hα-helixtrans-61.3-47.3175.9-67.1169.1000110.2V179 I180 L185 I186 L187V179-I183 HydrophobicContact CG1-CD1 3.83Å; V179-I183 HydrophobicContact CG1-CG1 4.49Å; V179-I183 WeakPolarHBondContact O-CG1 3.12Å; V179-I183 PolarHBondContact O-N 3.19Å; I180-I183 PolarHBondContact O-N 3.41Å; I183-L185 VanDerWaalsContact C-N 3.31Å; I183-L185 PolarHBondContact O-N 3.21Å; I183-I186 PolarHBondContact O-N 3.43Å; I183-L187 HydrophobicContact CG2-CD1 4.04Å; I183-L187 HydrophobicContact CG2-CG 4.49Å; I183-L187 WeakPolarHBondContact O-CG 3.33Å; I183-L187 PolarHBondContact O-N 2.88Å
184A97.5Very high94.9Very high6 Ų646.4 Ų46.45%0.0527%0.265CS..Hα-helixtrans-57.1-45.217600000111.7I180 M181 L187 M188 L210I180-A184 WeakPolarHBondContact O-CB 3.22Å; I180-A184 PolarHBondContact O-N 3.24Å; M181-A184 PolarHBondContact O-N 3.13Å; A184-L187 PolarHBondContact O-N 2.8Å; A184-M188 WeakPolarHBondContact O-CB 3.42Å; A184-M188 VanDerWaalsContact O-CG 3.28Å; A184-M188 WeakPolarHBondContact O-CG 3.16Å; A184-M188 PolarHBondContact O-N 2.8Å; A184-L210 HydrophobicContact CB-CB 4.19Å
185L97.3Very high94.7Very high19 Ų1953.4 Ų53.410%0.09929%0.292CS..Hα-helixtrans-62.7-45178.5-176.364.4000112.4I108 T112 M181 T182 I183 L187 M188 V189I108-L185 HydrophobicContact CG2-CD1 4.33Å; I108-L185 HydrophobicContact CG2-CD2 4.25Å; T112-L185 HydrophobicContact CG2-CD2 3.91Å; M181-L185 WeakPolarHBondContact O-CB 3.26Å; M181-L185 PolarHBondContact O-N 2.99Å; T182-L185 PolarHBondContact O-N 2.68Å; I183-L185 VanDerWaalsContact C-N 3.31Å; I183-L185 PolarHBondContact O-N 3.21Å; L185-L187 PolarHBondContact O-N 3.25Å; L185-M188 HydrophobicContact CD1-CE 4.23Å; L185-M188 PolarHBondContact O-N 2.91Å; L185-V189 HydrophobicContact CD1-CG2 3.96Å; L185-V189 HydrophobicContact CG-CG2 4.29Å; L185-V189 WeakPolarHBondContact O-CB 3.3Å; L185-V189 VanDerWaalsContact O-CG2 3.23Å; L185-V189 WeakPolarHBondContact O-CG2 3.4Å; L185-V189 PolarHBondContact O-N 2.88Å
186I97.2Very high94.5Very high100 Ų10055 Ų5551%0.51330%0.298SS..Hα-helixtrans-60.9-45.7178.6-70.5167.6000110.7T182 I183 V189 T190T182-I186 HydrophobicContact CG2-CD1 3.96Å; T182-I186 WeakPolarHBondContact O-CG1 3.27Å; T182-I186 PolarHBondContact O-N 3.19Å; I183-I186 PolarHBondContact O-N 3.43Å; I186-V189 PolarHBondContact O-N 3.46Å; I186-T190 VanDerWaalsContact O-CB 3.3Å; I186-T190 WeakPolarHBondContact O-CB 3.19Å; I186-T190 PolarHBondContact O-N 2.98Å; I186-T190 PolarHBondContact O-OG1 3.44Å
187L96.7Very high94.1Very high86 Ų8654.9 Ų54.945%0.4529%0.293SS..Hα-helixtrans-61.6-46.6178.1-69.2174.2000111.4I183 A184 L185 S191 L210I183-L187 HydrophobicContact CG2-CD1 4.04Å; I183-L187 HydrophobicContact CG2-CG 4.49Å; I183-L187 WeakPolarHBondContact O-CG 3.33Å; I183-L187 PolarHBondContact O-N 2.88Å; A184-L187 PolarHBondContact O-N 2.8Å; L185-L187 PolarHBondContact O-N 3.25Å; L187-S191 PolarHBondContact O-N 2.95Å; L187-S191 VanDerWaalsContact O-N 3.15Å; L187-S191 PolarHBondContact O-OG 3.48Å; L187-L210 HydrophobicContact CB-CD1 3.85Å; L187-L210 HydrophobicContact CD1-CD1 3.81Å
188M96.9Very high93.3Very high14 Ų1461.6 Ų61.67%0.06932%0.316CS..Hα-helixtrans-61-45.3177.9-74.7-168.1-70.600113.1A184 L185 S191 A192 T207 L210 F211 Y214A184-M188 WeakPolarHBondContact O-CB 3.42Å; A184-M188 VanDerWaalsContact O-CG 3.28Å; A184-M188 WeakPolarHBondContact O-CG 3.16Å; A184-M188 PolarHBondContact O-N 2.8Å; L185-M188 HydrophobicContact CD1-CE 4.23Å; L185-M188 PolarHBondContact O-N 2.91Å; M188-S191 PolarHBondContact O-OG 3.46Å; M188-S191 VanDerWaalsContact O-OG 3.14Å; M188-A192 WeakPolarHBondContact O-CB 3.32Å; M188-A192 PolarHBondContact O-N 3.41Å; M188-A192 VanDerWaalsContact O-N 3.11Å; M188-T207 WeakPolarHBondContact CG-O 3.45Å; M188-L210 HydrophobicContact CG-CB 3.95Å; M188-L210 HydrophobicContact SD-CB 4.29Å; M188-F211 HydrophobicContact CE-CB 4.45Å; M188-F211 VanDerWaalsContact SD-CA 3.51Å; M188-F211 HydrophobicContact SD-CB 3.71Å; M188-F211 PolarHBondContact SD-N 2.84Å; M188-Y214 HydrophobicContact CE-CG 4.39Å
189V95.7Very high92.5Very high52 Ų5264.3 Ų64.332%0.31533%0.333SS..Hα-helixtrans-71.3-39.9-175.6171.90000110.7C109 L185 I186 A192 T193C109-V189 VanDerWaalsContact SG-CG2 3.54Å; L185-V189 HydrophobicContact CD1-CG2 3.96Å; L185-V189 HydrophobicContact CG-CG2 4.29Å; L185-V189 WeakPolarHBondContact O-CB 3.3Å; L185-V189 VanDerWaalsContact O-CG2 3.23Å; L185-V189 WeakPolarHBondContact O-CG2 3.4Å; L185-V189 PolarHBondContact O-N 2.88Å; I186-V189 PolarHBondContact O-N 3.46Å; V189-A192 PolarHBondContact O-N 3.33Å; V189-T193 PolarHBondContact O-N 3.38Å
190T95Very high91.9Very high75 Ų7569.6 Ų69.646%0.4635%0.349SS..Hα-helixtrans-64.5-48.6-179.6-56.50000110.8I186 A192 T193 I196I186-T190 VanDerWaalsContact O-CB 3.3Å; I186-T190 WeakPolarHBondContact O-CB 3.19Å; I186-T190 PolarHBondContact O-N 2.98Å; I186-T190 PolarHBondContact O-OG1 3.44Å; T190-A192 VanDerWaalsContact C-N 3.29Å; T190-A192 PolarHBondContact O-N 2.89Å; T190-T193 WeakPolarHBondContact O-CB 3.44Å; T190-T193 VanDerWaalsContact O-CG2 3.28Å; T190-T193 WeakPolarHBondContact O-CG2 3.5Å; T190-T193 PolarHBondContact O-N 2.94Å; T190-T193 PolarHBondContact O-OG1 3.3Å; T190-I196 HydrophobicContact CG2-CD1 4.28Å; T190-I196 WeakPolarHBondContact O-CD1 3.37Å
191S95.1Very high91.1Very high6 Ų670.1 Ų70.14%0.04235%0.348CS..Hα-helixtrans-67.8-27.7178.470.20000113.4L187 M188 T193 T207L187-S191 PolarHBondContact O-N 2.95Å; L187-S191 VanDerWaalsContact O-N 3.15Å; L187-S191 PolarHBondContact O-OG 3.48Å; M188-S191 PolarHBondContact O-OG 3.46Å; M188-S191 VanDerWaalsContact O-OG 3.14Å; S191-T193 VanDerWaalsContact C-N 3.25Å; S191-T193 PolarHBondContact O-N 2.77Å; S191-T207 WeakPolarHBondContact CB-OG1 3.35Å; S191-T207 PolarHBondContact OG-OG1 2.76Å
192A93.8Very high90.5Very high34 Ų3472.1 Ų72.128%0.28136%0.357SS..THydrogen-bonded Turntrans-77.1-4177.900000114.7M188 V189 T190 F204M188-A192 WeakPolarHBondContact O-CB 3.32Å; M188-A192 PolarHBondContact O-N 3.41Å; M188-A192 VanDerWaalsContact O-N 3.11Å; V189-A192 PolarHBondContact O-N 3.33Å; T190-A192 VanDerWaalsContact C-N 3.29Å; T190-A192 PolarHBondContact O-N 2.89Å; A192-F204 HydrophobicContact CB-CD2 3.95Å; A192-F204 HydrophobicContact CB-CE2 3.89Å
193T92Very high90.1Very high62 Ų6274 Ų7438%0.3837%0.368SS..SBendtrans-59.2147175.157.90000111.7V189 T190 S191 F195 I196 R197V189-T193 PolarHBondContact O-N 3.38Å; T190-T193 WeakPolarHBondContact O-CB 3.44Å; T190-T193 VanDerWaalsContact O-CG2 3.28Å; T190-T193 WeakPolarHBondContact O-CG2 3.5Å; T190-T193 PolarHBondContact O-N 2.94Å; T190-T193 PolarHBondContact O-OG1 3.3Å; S191-T193 VanDerWaalsContact C-N 3.25Å; S191-T193 PolarHBondContact O-N 2.77Å; T193-F195 PolarHBondContact O-N 2.84Å; T193-F195 VanDerWaalsContact O-N 3.16Å; T193-I196 PolarHBondContact O-N 2.82Å; T193-R197 VanDerWaalsContact O-CB 3.3Å; T193-R197 WeakPolarHBondContact O-CB 3.47Å; T193-R197 PolarHBondContact O-N 2.81Å
194E86.6Confident89.8Confident113 Ų11371.1 Ų71.153%0.52835%0.352SS..Hα-helixtrans-59.5-31.6-175.7-175174176.400112.7R198E194-R198 WeakPolarHBondContact O-CB 3.16Å; E194-R198 VanDerWaalsContact O-CG 3.31Å; E194-R198 WeakPolarHBondContact O-CG 3.4Å; E194-R198 PolarHBondContact O-N 2.88Å; E194-R198 IonicContact OE1-CZ 3.1Å; E194-R198 IonicContact OE1-NE 3.14Å; E194-R198 IonicContact OE1-NH1 2.79Å; E194-R198 PolarHBondContact OE1-NH1 2.9Å; E194-R198 IonicContact OE1-NH2 2.97Å; E194-R198 PolarHBondContact OE1-NH2 3.45Å
195F86.8Confident89.2Confident163 Ų16374.7 Ų74.772%0.71537%0.365SS*.Hα-helixtrans-66.3-53.7176.9-179-100000112T193 S199T193-F195 PolarHBondContact O-N 2.84Å; T193-F195 VanDerWaalsContact O-N 3.16Å; F195-S199 PolarHBondContact O-N 3.22Å; F195-S199 PolarHBondContact O-OG 2.95Å
196I87.4Confident88.9Confident44 Ų4479.5 Ų79.523%0.22638%0.383CS..Hα-helixtrans-69.1-48.7-178.1-62.3-175.5000110.4T190 T193 R198 S199 Y200T190-I196 HydrophobicContact CG2-CD1 4.28Å; T190-I196 WeakPolarHBondContact O-CD1 3.37Å; T193-I196 PolarHBondContact O-N 2.82Å; I196-R198 PolarHBondContact O-N 3.37Å; I196-R198 VanDerWaalsContact O-N 3.16Å; I196-S199 PolarHBondContact O-N 3.32Å; I196-S199 VanDerWaalsContact O-N 3.13Å; I196-Y200 CarbonylContact O-C 3.6Å; I196-Y200 WeakPolarHBondContact O-CA 3.08Å; I196-Y200 PolarHBondContact O-N 3.07Å
197R86.8Confident88.8Confident74 Ų7476.4 Ų76.428%0.27937%0.368SS..Hα-helixtrans-60.6-29.8-176.4-171.9-173.56574.47.5113.7T193 F201 F204T193-R197 VanDerWaalsContact O-CB 3.3Å; T193-R197 WeakPolarHBondContact O-CB 3.47Å; T193-R197 PolarHBondContact O-N 2.81Å; R197-F201 HydrophobicContact CG-CD2 4.18Å; R197-F204 HydrophobicContact CB-CB 4.27Å; R197-F204 HydrophobicContact CB-CG 4.29Å; R197-F204 HydrophobicContact CG-CB 4.07Å; R197-F204 HydrophobicContact CG-CD1 3.73Å; R197-F204 HydrophobicContact CG-CD2 4.17Å; R197-F204 HydrophobicContact CG-CE1 4.2Å; R197-F204 HydrophobicContact CG-CG 3.7Å
198R77.4Confident88.7Confident155 Ų15574.9 Ų74.959%0.58536%0.359SS*.Hα-helixtrans-78.8-33178-81.7-171.6169.215613.9113.4E194 I196E194-R198 WeakPolarHBondContact O-CB 3.16Å; E194-R198 VanDerWaalsContact O-CG 3.31Å; E194-R198 WeakPolarHBondContact O-CG 3.4Å; E194-R198 PolarHBondContact O-N 2.88Å; E194-R198 IonicContact OE1-CZ 3.1Å; E194-R198 IonicContact OE1-NE 3.14Å; E194-R198 IonicContact OE1-NH1 2.79Å; E194-R198 PolarHBondContact OE1-NH1 2.9Å; E194-R198 IonicContact OE1-NH2 2.97Å; E194-R198 PolarHBondContact OE1-NH2 3.45Å; I196-R198 PolarHBondContact O-N 3.37Å; I196-R198 VanDerWaalsContact O-N 3.16Å
199S79.1Confident88.6Confident73 Ų7377.4 Ų77.451%0.5137%0.37SS..Hα-helixtrans-94-32.5-176.3-56.20000112.5F195 I196F195-S199 PolarHBondContact O-N 3.22Å; F195-S199 PolarHBondContact O-OG 2.95Å; I196-S199 PolarHBondContact O-N 3.32Å; I196-S199 VanDerWaalsContact O-N 3.13Å
200Y82.8Confident88.6Confident154 Ų15476.9 Ų76.960%0.60437%0.366SS*.  trans-136.872.5-174.3-57.5-75.2000110.2I196 E202 V203 F204I196-Y200 CarbonylContact O-C 3.6Å; I196-Y200 WeakPolarHBondContact O-CA 3.08Å; I196-Y200 PolarHBondContact O-N 3.07Å; Y200-E202 VanDerWaalsContact C-N 3.32Å; Y200-E202 PolarHBondContact O-N 3.29Å; Y200-V203 PolarHBondContact O-N 2.93Å; Y200-F204 PolarHBondContact O-N 3.43Å
201F79.6Confident88.6Confident97 Ų9775.3 Ų75.343%0.42535%0.352SS..Hα-helixtrans-62.9-37.7-176.9-173.9-96.8000112.7R197 V203 F204 W205R197-F201 HydrophobicContact CG-CD2 4.18Å; F201-V203 PolarHBondContact O-N 3.38Å; F201-F204 AromaticContact CD2-CD1 3.95Å; F201-F204 HydrophobicContact CD2-CD1 3.95Å; F201-F204 HydrophobicContact CD2-CE1 4.48Å; F201-F204 AromaticContact CE2-CD1 3.72Å; F201-F204 HydrophobicContact CE2-CD1 3.72Å; F201-F204 AromaticContact CE2-CE1 3.82Å; F201-F204 HydrophobicContact CE2-CE1 3.82Å; F201-F204 HydrophobicContact CZ-CD1 4.18Å; F201-F204 HydrophobicContact CZ-CE1 4.15Å; F201-F204 WeakPolarHBondContact O-CB 3.25Å; F201-F204 PolarHBondContact O-N 2.96Å; F201-W205 HydrophobicContact CE1-CB 4.36Å; F201-W205 PolarHBondContact O-N 2.88Å
202E82.9Confident88.6Confident57 Ų5779.5 Ų79.527%0.26637%0.373SS..Hα-helixtrans-59.3-45.6177.6-66.1-50.7116.100112.4Y200 F204 W205 Y206Y200-E202 VanDerWaalsContact C-N 3.32Å; Y200-E202 PolarHBondContact O-N 3.29Å; E202-F204 VanDerWaalsContact C-N 3.29Å; E202-F204 PolarHBondContact O-N 3Å; E202-W205 PolarHBondContact O-N 2.95Å; E202-Y206 HydrophobicContact CB-CD2 4.33Å; E202-Y206 HydrophobicContact CB-CE2 4.21Å; E202-Y206 WeakPolarHBondContact O-CD2 3.48Å; E202-Y206 PolarHBondContact O-N 3.41Å; E202-Y206 VanDerWaalsContact OE2-CE2 3.3Å; E202-Y206 WeakPolarHBondContact OE2-CE2 3.47Å
203V88.6Confident88.7Confident74 Ų7483.6 Ų83.645%0.44839%0.385SS..Hα-helixtrans-58.2-45.7177.2175.70000110.3Y200 F201 T207Y200-V203 PolarHBondContact O-N 2.93Å; F201-V203 PolarHBondContact O-N 3.38Å; V203-T207 HydrophobicContact CG1-CG2 4.43Å; V203-T207 WeakPolarHBondContact O-CB 3.43Å; V203-T207 VanDerWaalsContact O-CG2 3.27Å; V203-T207 WeakPolarHBondContact O-CG2 3.29Å; V203-T207 PolarHBondContact O-N 3.45Å; V203-T207 VanDerWaalsContact O-N 3.15Å; V203-T207 PolarHBondContact O-OG1 2.98Å
204F90Very high88.9Confident35 Ų3581.3 Ų81.315%0.15437%0.37CS..Hα-helixtrans-56.3-53172.4157.8-104.4000110.8A192 R197 Y200 F201 E202 Y206 T207 H208A192-F204 HydrophobicContact CB-CD2 3.95Å; A192-F204 HydrophobicContact CB-CE2 3.89Å; R197-F204 HydrophobicContact CB-CB 4.27Å; R197-F204 HydrophobicContact CB-CG 4.29Å; R197-F204 HydrophobicContact CG-CB 4.07Å; R197-F204 HydrophobicContact CG-CD1 3.73Å; R197-F204 HydrophobicContact CG-CD2 4.17Å; R197-F204 HydrophobicContact CG-CE1 4.2Å; R197-F204 HydrophobicContact CG-CG 3.7Å; Y200-F204 PolarHBondContact O-N 3.43Å; F201-F204 AromaticContact CD2-CD1 3.95Å; F201-F204 HydrophobicContact CD2-CD1 3.95Å; F201-F204 HydrophobicContact CD2-CE1 4.48Å; F201-F204 AromaticContact CE2-CD1 3.72Å; F201-F204 HydrophobicContact CE2-CD1 3.72Å; F201-F204 AromaticContact CE2-CE1 3.82Å; F201-F204 HydrophobicContact CE2-CE1 3.82Å; F201-F204 HydrophobicContact CZ-CD1 4.18Å; F201-F204 HydrophobicContact CZ-CE1 4.15Å; F201-F204 WeakPolarHBondContact O-CB 3.25Å; F201-F204 PolarHBondContact O-N 2.96Å; E202-F204 VanDerWaalsContact C-N 3.29Å; E202-F204 PolarHBondContact O-N 3Å; F204-Y206 PolarHBondContact O-N 2.83Å; F204-T207 PolarHBondContact O-N 3.23Å; F204-T207 PolarHBondContact O-OG1 3.46Å; F204-H208 HydrophobicContact CD2-CB 4.5Å; F204-H208 HydrophobicContact CE2-CB 4.22Å; F204-H208 AromaticContact CE2-CE1 3.96Å; F204-H208 AromaticContact CE2-CG 3.78Å; F204-H208 AromaticContact CE2-ND1 3.64Å; F204-H208 VanDerWaalsContact O-CB 3.27Å; F204-H208 WeakPolarHBondContact O-CB 3.35Å; F204-H208 PolarHBondContact O-N 3.27Å
205W86.8Confident89.3Confident82 Ų8276.8 Ų76.831%0.31135%0.349SS..Hα-helixtrans-59.3-51.2-174-169.597.4000112.6F201 E202 H208 H209F201-W205 HydrophobicContact CE1-CB 4.36Å; F201-W205 PolarHBondContact O-N 2.88Å; E202-W205 PolarHBondContact O-N 2.95Å; W205-H208 PolarHBondContact O-N 3.38Å; W205-H209 AromaticContact CD2-CE1 3.62Å; W205-H209 AromaticContact CE2-CE1 3.43Å; W205-H209 VanDerWaalsContact CE2-CE1 3.43Å; W205-H209 AromaticContact CE3-CE1 3.76Å; W205-H209 AromaticContact CE3-ND1 3.85Å; W205-H209 AromaticContact CH2-CE1 3.54Å; W205-H209 AromaticContact CZ2-CE1 3.41Å; W205-H209 VanDerWaalsContact CZ2-CE1 3.41Å; W205-H209 WeakPolarHBondContact CZ2-CE1 3.04Å; W205-H209 AromaticContact CZ2-NE2 3.94Å; W205-H209 AromaticContact CZ3-CE1 3.71Å; W205-H209 AromaticContact CZ3-ND1 3.93Å; W205-H209 PolarHBondContact O-ND1 3.18Å
206Y89.8Confident89.7Confident120 Ų12074.2 Ų74.247%0.47134%0.342SS..Hα-helixtrans-66-45.2-178.7-72.8-70000112.2E202 F204 H208 H209E202-Y206 HydrophobicContact CB-CD2 4.33Å; E202-Y206 HydrophobicContact CB-CE2 4.21Å; E202-Y206 WeakPolarHBondContact O-CD2 3.48Å; E202-Y206 PolarHBondContact O-N 3.41Å; E202-Y206 VanDerWaalsContact OE2-CE2 3.3Å; E202-Y206 WeakPolarHBondContact OE2-CE2 3.47Å; F204-Y206 PolarHBondContact O-N 2.83Å; Y206-H208 VanDerWaalsContact C-N 3.31Å; Y206-H208 PolarHBondContact O-N 3.48Å; Y206-H209 PolarHBondContact O-N 3.29Å
207T94.6Very high90Very high35 Ų3572.5 Ų72.522%0.21534%0.335CS..Hα-helixtrans-69.5-29.7-18056.90000112.4M188 S191 V203 F204 H209 L210M188-T207 WeakPolarHBondContact CG-O 3.45Å; S191-T207 WeakPolarHBondContact CB-OG1 3.35Å; S191-T207 PolarHBondContact OG-OG1 2.76Å; V203-T207 HydrophobicContact CG1-CG2 4.43Å; V203-T207 WeakPolarHBondContact O-CB 3.43Å; V203-T207 VanDerWaalsContact O-CG2 3.27Å; V203-T207 WeakPolarHBondContact O-CG2 3.29Å; V203-T207 PolarHBondContact O-N 3.45Å; V203-T207 VanDerWaalsContact O-N 3.15Å; V203-T207 PolarHBondContact O-OG1 2.98Å; F204-T207 PolarHBondContact O-N 3.23Å; F204-T207 PolarHBondContact O-OG1 3.46Å; T207-H209 PolarHBondContact O-N 2.91Å; T207-L210 VanDerWaalsContact O-CB 3.25Å; T207-L210 WeakPolarHBondContact O-CB 3.27Å; T207-L210 WeakPolarHBondContact O-CD1 3.35Å; T207-L210 WeakPolarHBondContact O-CG 3.49Å; T207-L210 PolarHBondContact O-N 3.33Å; T207-L210 VanDerWaalsContact O-N 3.13Å
208H95.2Very high90.4Very high53 Ų5369.4 Ų69.425%0.24532%0.324CS..Hα-helixtrans-65.2-26177.9-138.863.1000112.5H101 F204 W205 Y206 L210 F211H101-H208 AromaticContact NE2-NE2 3.98Å; F204-H208 HydrophobicContact CD2-CB 4.5Å; F204-H208 HydrophobicContact CE2-CB 4.22Å; F204-H208 AromaticContact CE2-CE1 3.96Å; F204-H208 AromaticContact CE2-CG 3.78Å; F204-H208 AromaticContact CE2-ND1 3.64Å; F204-H208 VanDerWaalsContact O-CB 3.27Å; F204-H208 WeakPolarHBondContact O-CB 3.35Å; F204-H208 PolarHBondContact O-N 3.27Å; W205-H208 PolarHBondContact O-N 3.38Å; Y206-H208 VanDerWaalsContact C-N 3.31Å; Y206-H208 PolarHBondContact O-N 3.48Å; H208-L210 PolarHBondContact O-N 3.39Å; H208-F211 VanDerWaalsContact O-CD1 3.29Å; H208-F211 WeakPolarHBondContact O-CD1 3.48Å; H208-F211 PolarHBondContact O-N 3.39Å
209H94.4Very high91.1Very high67 Ų6762.6 Ų62.631%0.3130%0.302SS..THydrogen-bonded Turntrans-65.8-12.7175.4-74.782.8000114W205 Y206 T207 F211 I212W205-H209 AromaticContact CD2-CE1 3.62Å; W205-H209 AromaticContact CE2-CE1 3.43Å; W205-H209 VanDerWaalsContact CE2-CE1 3.43Å; W205-H209 AromaticContact CE3-CE1 3.76Å; W205-H209 AromaticContact CE3-ND1 3.85Å; W205-H209 AromaticContact CH2-CE1 3.54Å; W205-H209 AromaticContact CZ2-CE1 3.41Å; W205-H209 VanDerWaalsContact CZ2-CE1 3.41Å; W205-H209 WeakPolarHBondContact CZ2-CE1 3.04Å; W205-H209 AromaticContact CZ2-NE2 3.94Å; W205-H209 AromaticContact CZ3-CE1 3.71Å; W205-H209 AromaticContact CZ3-ND1 3.93Å; W205-H209 PolarHBondContact O-ND1 3.18Å; Y206-H209 PolarHBondContact O-N 3.29Å; T207-H209 PolarHBondContact O-N 2.91Å; H209-F211 PolarHBondContact O-N 2.81Å; H209-I212 WeakPolarHBondContact O-CG1 3.02Å; H209-I212 PolarHBondContact O-N 3.18Å; H209-I212 VanDerWaalsContact O-N 3.12Å
210L96.4Very high91.8Very high42 Ų4262.3 Ų62.322%0.2229%0.294CS..THydrogen-bonded Turntrans-60.4-9.3170.5-62.3174.9000112.9A184 L187 M188 T207 H208 I212 F213 Y214A184-L210 HydrophobicContact CB-CB 4.19Å; L187-L210 HydrophobicContact CB-CD1 3.85Å; L187-L210 HydrophobicContact CD1-CD1 3.81Å; M188-L210 HydrophobicContact CG-CB 3.95Å; M188-L210 HydrophobicContact SD-CB 4.29Å; T207-L210 VanDerWaalsContact O-CB 3.25Å; T207-L210 WeakPolarHBondContact O-CB 3.27Å; T207-L210 WeakPolarHBondContact O-CD1 3.35Å; T207-L210 WeakPolarHBondContact O-CG 3.49Å; T207-L210 PolarHBondContact O-N 3.33Å; T207-L210 VanDerWaalsContact O-N 3.13Å; H208-L210 PolarHBondContact O-N 3.39Å; L210-I212 PolarHBondContact O-N 3.01Å; L210-I212 VanDerWaalsContact O-N 3.13Å; L210-F213 HydrophobicContact CD2-CD2 3.75Å; L210-F213 HydrophobicContact CD2-CE2 3.95Å; L210-F213 PolarHBondContact O-N 2.87Å; L210-Y214 PolarHBondContact O-N 3.37Å
211F95.6Very high92.4Very high42 Ų4256.8 Ų56.818%0.18427%0.274CS..Hα-helixtrans-55.3-28170.685.2-94.8000112.1L68 M188 H208 H209 Y214 I215 Y280L68-F211 HydrophobicContact CD2-CD2 4.24Å; L68-F211 HydrophobicContact CD2-CE2 4.23Å; M188-F211 HydrophobicContact CE-CB 4.45Å; M188-F211 VanDerWaalsContact SD-CA 3.51Å; M188-F211 HydrophobicContact SD-CB 3.71Å; M188-F211 PolarHBondContact SD-N 2.84Å; H208-F211 VanDerWaalsContact O-CD1 3.29Å; H208-F211 WeakPolarHBondContact O-CD1 3.48Å; H208-F211 PolarHBondContact O-N 3.39Å; H209-F211 PolarHBondContact O-N 2.81Å; F211-Y214 WeakPolarHBondContact O-CB 2.95Å; F211-Y214 PolarHBondContact O-N 3.28Å; F211-I215 HydrophobicContact CD2-CG1 4.29Å; F211-I215 WeakPolarHBondContact O-CG1 3.33Å; F211-I215 PolarHBondContact O-N 3.02Å; F211-Y280 HydrophobicContact CE2-CE1 4.21Å; F211-Y280 AromaticContact CZ-CE1 3.95Å; F211-Y280 HydrophobicContact CZ-CE1 3.95Å; F211-Y280 AromaticContact CZ-CZ 3.91Å; F211-Y280 WeakPolarHBondContact CZ-OH 3.26Å
212I95Very high92.8Very high94 Ų9453.3 Ų53.348%0.48227%0.265SS..Hα-helixtrans-61-47.5176.7-63.2170000110.1H209 L210 Y214 I215 L216H209-I212 WeakPolarHBondContact O-CG1 3.02Å; H209-I212 PolarHBondContact O-N 3.18Å; H209-I212 VanDerWaalsContact O-N 3.12Å; L210-I212 PolarHBondContact O-N 3.01Å; L210-I212 VanDerWaalsContact O-N 3.13Å; I212-Y214 VanDerWaalsContact C-N 3.33Å; I212-Y214 PolarHBondContact O-N 3.43Å; I212-I215 PolarHBondContact O-N 3.32Å; I212-L216 VanDerWaalsContact O-CB 3.32Å; I212-L216 WeakPolarHBondContact O-CB 3.44Å; I212-L216 PolarHBondContact O-N 3.08Å
213F95.6Very high93.2Very high120 Ų12055.1 Ų55.153%0.52628%0.276SS..Hα-helixtrans-66.2-36.8176.7-64.5-68.7000111.8L210 G217L210-F213 HydrophobicContact CD2-CD2 3.75Å; L210-F213 HydrophobicContact CD2-CE2 3.95Å; L210-F213 PolarHBondContact O-N 2.87Å; F213-G217 WeakPolarHBondContact O-CA 3.33Å; F213-G217 PolarHBondContact O-N 3.09Å
214Y96.3Very high93Very high14 Ų1452.9 Ų52.96%0.05527%0.268CS..Hα-helixtrans-62-50174.8177.5-94.5000112.2S64 I108 M181 M188 L210 F211 I212 G217 L218S64-Y214 PolarHBondContact OG-OH 2.61Å; I108-Y214 VanDerWaalsContact CG2-OH 3.31Å; I108-Y214 WeakPolarHBondContact CG2-OH 3.29Å; M181-Y214 HydrophobicContact CB-CD2 4.2Å; M181-Y214 HydrophobicContact CE-CD2 3.96Å; M181-Y214 HydrophobicContact CE-CE2 3.79Å; M188-Y214 HydrophobicContact CE-CG 4.39Å; L210-Y214 PolarHBondContact O-N 3.37Å; F211-Y214 WeakPolarHBondContact O-CB 2.95Å; F211-Y214 PolarHBondContact O-N 3.28Å; I212-Y214 VanDerWaalsContact C-N 3.33Å; I212-Y214 PolarHBondContact O-N 3.43Å; Y214-G217 PolarHBondContact O-N 3.35Å; Y214-L218 WeakPolarHBondContact O-CB 3.48Å; Y214-L218 PolarHBondContact O-N 2.88Å
215I95.2Very high92.8Very high17 Ų1751.8 Ų51.89%0.08727%0.267CS..Hα-helixtrans-68.3-43.3-178.2-66.4-66.5000111.4F211 I212 L218 G219 I273 V277F211-I215 HydrophobicContact CD2-CG1 4.29Å; F211-I215 WeakPolarHBondContact O-CG1 3.33Å; F211-I215 PolarHBondContact O-N 3.02Å; I212-I215 PolarHBondContact O-N 3.32Å; I215-L218 PolarHBondContact O-N 3.41Å; I215-G219 PolarHBondContact O-N 3.06Å; I215-G219 VanDerWaalsContact O-N 3.16Å; I215-I273 HydrophobicContact CG2-CD1 4.05Å; I215-I273 WeakPolarHBondContact O-CD1 3.39Å; I215-V277 HydrophobicContact CG2-CG2 3.71Å
216L94.3Very high92.9Very high110 Ų11049 Ų4958%0.57626%0.258SS*.Hα-helixtrans-61.5-47.4175.3179.462.1000110.7I212 L218 G219 I220I212-L216 VanDerWaalsContact O-CB 3.32Å; I212-L216 WeakPolarHBondContact O-CB 3.44Å; I212-L216 PolarHBondContact O-N 3.08Å; L216-L218 VanDerWaalsContact C-N 3.32Å; L216-L218 PolarHBondContact O-N 3.16Å; L216-G219 PolarHBondContact O-N 2.87Å; L216-G219 VanDerWaalsContact O-N 3.17Å; L216-I220 PolarHBondContact O-N 2.87Å
217G94.8Very high92.8Very high7 Ų743.9 Ų43.97%0.07224%0.239CC..Hα-helixtrans-54.5-47.217500000111.7F213 Y214 G219 I220 H221F213-G217 WeakPolarHBondContact O-CA 3.33Å; F213-G217 PolarHBondContact O-N 3.09Å; Y214-G217 PolarHBondContact O-N 3.35Å; G217-G219 VanDerWaalsContact C-N 3.27Å; G217-G219 PolarHBondContact O-N 3.48Å; G217-I220 WeakPolarHBondContact O-CG1 3.35Å; G217-I220 PolarHBondContact O-N 3.12Å; G217-I220 VanDerWaalsContact O-N 3.11Å; G217-H221 WeakPolarHBondContact O-CA 3.5Å; G217-H221 WeakPolarHBondContact O-CB 3.35Å; G217-H221 PolarHBondContact O-N 3.46Å
218L93.9Very high92.7Very high9 Ų944.1 Ų44.15%0.04724%0.236CC..Hα-helixtrans-59.9-37.6179.6-171.665.1000112.3S64 M181 Y214 I215 L216 I220 S269 I273S64-L218 WeakPolarHBondContact OG-CD2 3.04Å; M181-L218 HydrophobicContact CE-CB 3.72Å; M181-L218 HydrophobicContact CE-CD1 3.89Å; M181-L218 HydrophobicContact CE-CG 4.41Å; M181-L218 PolarHBondContact SD-N 3.2Å; M181-L218 VanDerWaalsContact SD-N 3.37Å; Y214-L218 WeakPolarHBondContact O-CB 3.48Å; Y214-L218 PolarHBondContact O-N 2.88Å; I215-L218 PolarHBondContact O-N 3.41Å; L216-L218 VanDerWaalsContact C-N 3.32Å; L216-L218 PolarHBondContact O-N 3.16Å; L218-I220 VanDerWaalsContact C-N 3.35Å; L218-I220 PolarHBondContact O-N 3.18Å; L218-S269 WeakPolarHBondContact O-CB 3.34Å; L218-I273 HydrophobicContact CD2-CG2 3.88Å
219G93.3Very high92.5Very high13 Ų1341.6 Ų41.613%0.13422%0.224CC..Hα-helixtrans-64-36.5176.500000113.5I215 L216 G217I215-G219 PolarHBondContact O-N 3.06Å; I215-G219 VanDerWaalsContact O-N 3.16Å; L216-G219 PolarHBondContact O-N 2.87Å; L216-G219 VanDerWaalsContact O-N 3.17Å; G217-G219 VanDerWaalsContact C-N 3.27Å; G217-G219 PolarHBondContact O-N 3.48Å
220I93.7Very high92.4Very high67 Ų6738.6 Ų38.634%0.34421%0.21SC..Hα-helixtrans-100-18.9-175.465.4171.3000114.5T177 L216 G217 L218 G222 I223T177-I220 HydrophobicContact CG2-CD1 3.69Å; T177-I220 HydrophobicContact CG2-CG1 3.85Å; L216-I220 PolarHBondContact O-N 2.87Å; G217-I220 WeakPolarHBondContact O-CG1 3.35Å; G217-I220 PolarHBondContact O-N 3.12Å; G217-I220 VanDerWaalsContact O-N 3.11Å; L218-I220 VanDerWaalsContact C-N 3.35Å; L218-I220 PolarHBondContact O-N 3.18Å; I220-G222 PolarHBondContact O-N 2.83Å; I220-G222 VanDerWaalsContact O-N 3.17Å; I220-I223 HydrophobicContact CB-CD1 3.83Å; I220-I223 HydrophobicContact CG2-CD1 3.89Å; I220-I223 VanDerWaalsContact O-CB 3.29Å; I220-I223 WeakPolarHBondContact O-CB 3.42Å; I220-I223 WeakPolarHBondContact O-CG1 3.48Å; I220-I223 PolarHBondContact O-N 2.9Å
221H93.6Very high92.2Very high38 Ų3837.5 Ų37.518%0.17621%0.205CC..Hα-helixtrans-56-38.4-173.3177.473.2000112.8H115 A174 T177 G178 M181 G217H115-H221 AromaticContact NE2-NE2 3.91Å; A174-H221 WeakPolarHBondContact CA-O 3.49Å; A174-H221 WeakPolarHBondContact CB-O 3.39Å; A174-H221 PolarHBondContact O-CE1 3.34Å; A174-H221 PolarHBondContact O-ND1 2.88Å; T177-H221 WeakPolarHBondContact OG1-CA 3.35Å; T177-H221 PolarHBondContact OG1-ND1 2.91Å; G178-H221 PolarHBondContact N-ND1 2.86Å; M181-H221 HydrophobicContact SD-CB 4.18Å; G217-H221 WeakPolarHBondContact O-CA 3.5Å; G217-H221 WeakPolarHBondContact O-CB 3.35Å; G217-H221 PolarHBondContact O-N 3.46Å
222G89.7Confident91.8Very high24 Ų2441.7 Ų41.725%0.24723%0.225CC..G310 helixtrans-77.6-12.717900000115.5I220 G224 G225I220-G222 PolarHBondContact O-N 2.83Å; I220-G222 VanDerWaalsContact O-N 3.17Å; G222-G224 PolarHBondContact O-N 3.11Å; G222-G225 PolarHBondContact O-N 2.83Å
223I90.1Very high91.5Very high94 Ų9443.7 Ų43.748%0.48223%0.233SC..G310 helixtrans-62.4-32.7-173.3-66175.7000111.4I220 G225 P267I220-I223 HydrophobicContact CB-CD1 3.83Å; I220-I223 HydrophobicContact CG2-CD1 3.89Å; I220-I223 VanDerWaalsContact O-CB 3.29Å; I220-I223 WeakPolarHBondContact O-CB 3.42Å; I220-I223 WeakPolarHBondContact O-CG1 3.48Å; I220-I223 PolarHBondContact O-N 2.9Å; I223-G225 PolarHBondContact O-N 3.05Å; I223-G225 VanDerWaalsContact O-N 3.08Å; I223-P267 HydrophobicContact CG1-CB 4.14Å; I223-P267 HydrophobicContact CG1-CG 4.07Å
224G84.2Confident91.1Very high28 Ų2838.3 Ų38.329%0.28921%0.21SC..G310 helixtrans-64.5-11.7-179.200000114.9G222 I226G222-G224 PolarHBondContact O-N 3.11Å; G224-I226 PolarHBondContact O-N 3.27Å
225G87.3Confident90.7Very high12 Ų1239.6 Ų39.612%0.12422%0.217CC..  trans56.927.9171.100000115.1G222 I223 V227 R228 G264G222-G225 PolarHBondContact O-N 2.83Å; I223-G225 PolarHBondContact O-N 3.05Å; I223-G225 VanDerWaalsContact O-N 3.08Å; G225-V227 PolarHBondContact O-N 3.2Å; G225-R228 WeakPolarHBondContact O-CG 3.44Å; G225-G264 WeakPolarHBondContact O-CA 3.42Å
226I87.4Confident90.3Very high24 Ų2445.2 Ų45.212%0.12325%0.247CC..  trans-63.1-32-172.8-62.9-172.7000112.2P157 A174 G224 R228P157-I226 HydrophobicContact CB-CG2 4.07Å; P157-I226 HydrophobicContact CG-CG2 3.97Å; A174-I226 HydrophobicContact CB-CD1 3.6Å; A174-I226 HydrophobicContact CB-CG1 4.16Å; G224-I226 PolarHBondContact O-N 3.27Å; I226-R228 PolarHBondContact O-N 3.12Å
227V89.1Confident89.9Confident12 Ų1244 Ų447%0.07324%0.238CC..SBendtrans-84.6110.5173.5178.60000108.4L50 G225 Q265L50-V227 HydrophobicContact CD1-CG1 3.55Å; L50-V227 HydrophobicContact CD1-CG2 4.49Å; G225-V227 PolarHBondContact O-N 3.2Å; V227-Q265 PolarHBondContact O-N 2.82Å
228R91.4Very high89.3Confident40 Ų4044.4 Ų44.415%0.15124%0.243CC..EExtended strand (participates in β ladder)trans-109.8146.6-177.2-53.7-177.175.6102.9-2.5111T42 W154 L155 G225 I226 F262 E263T42-R228 WeakPolarHBondContact CG2-O 3.02Å; T42-R228 PolarHBondContact OG1-O 3.28Å; W154-R228 HydrophobicContact CH2-CG 4.45Å; W154-R228 HydrophobicContact CZ3-CG 4.42Å; W154-R228 WeakPolarHBondContact O-CD 3.4Å; W154-R228 PolarHBondContact O-NE 3.4Å; W154-R228 VanDerWaalsContact O-NE 3.07Å; L155-R228 HydrophobicContact CD1-CB 4.11Å; G225-R228 WeakPolarHBondContact O-CG 3.44Å; I226-R228 PolarHBondContact O-N 3.12Å; R228-F262 HydrophobicContact CB-CB 4.27Å; R228-F262 PolarHBondContact NE-O 3.41Å; R228-F262 PolarHBondContact NH2-O 3.45Å; R228-E263 VanDerWaalsContact CA-O 3.24Å; R228-E263 WeakPolarHBondContact CA-O 3.37Å; R228-E263 WeakPolarHBondContact CB-O 3.23Å
229G91.4Very high88.9Confident0 Ų048.5 Ų48.50%026%0.262CS..EExtended strand (participates in β ladder)trans-126.8165171.100000109.5R38 F262 E263R38-G229 CarbonylContact O-C 2.97Å; R38-G229 WeakPolarHBondContact O-CA 3.37Å; G229-F262 WeakPolarHBondContact O-CA 3.42Å; G229-E263 PolarHBondContact N-O 3.29Å; G229-E263 PolarHBondContact O-N 3.01Å
230Q92.1Very high88.8Confident3 Ų347.9 Ų47.91%0.01426%0.255CS..EExtended strand (participates in β ladder)trans-63.1143.9177.4-164.3176.16.800110.5R38 S234 I235 P240 P260 E261 F262R38-Q230 WeakPolarHBondContact CG-O 3.17Å; R38-Q230 PolarHBondContact NE-O 2.88Å; R38-Q230 PolarHBondContact O-N 3.32Å; Q230-S234 PolarHBondContact NE2-O 3.14Å; Q230-S234 PolarHBondContact NE2-OG 3.2Å; Q230-I235 HydrophobicContact CB-CD1 4.17Å; Q230-I235 HydrophobicContact CB-CG1 3.96Å; Q230-I235 HydrophobicContact CG-CG1 3.82Å; Q230-P240 VanDerWaalsContact OE1-CG 3.24Å; Q230-P260 HydrophobicContact CG-CB 4.37Å; Q230-E261 CarbonylContact C-O 3.55Å; Q230-E261 WeakPolarHBondContact CA-O 3.43Å; Q230-E261 WeakPolarHBondContact CG-O 3.24Å; Q230-F262 HydrophobicContact CB-CD1 4.41Å; Q230-F262 HydrophobicContact CB-CE1 4.32Å
231T91.1Very high88.6Confident20 Ų2048.2 Ų48.212%0.12326%0.255CS..  trans-68151.3175.3610000110.2E233 S234 I235 E261 E263T231-E233 VanDerWaalsContact C-N 3.26Å; T231-E233 PolarHBondContact O-N 3.22Å; T231-S234 PolarHBondContact O-N 3.11Å; T231-S234 WeakPolarHBondContact OG1-CB 3.48Å; T231-S234 PolarHBondContact OG1-N 3.36Å; T231-I235 WeakPolarHBondContact O-CG1 3.4Å; T231-I235 PolarHBondContact O-N 3.37Å; T231-I235 VanDerWaalsContact O-N 3.09Å; T231-E261 HydrophobicContact CG2-CB 4.14Å; T231-E261 PolarHBondContact N-O 2.89Å; T231-E263 HydrophobicContact CG2-CB 3.95Å; T231-E263 HydrophobicContact CG2-CG 3.86Å
232E89.1Confident88.3Confident129 Ų12953.2 Ų53.260%0.60328%0.276SS*.Hα-helixtrans-63.1-35.3178.5-67.7-174.1175.200111.9I235 N236E232-I235 PolarHBondContact O-N 3.48Å; E232-N236 WeakPolarHBondContact O-CB 3.32Å; E232-N236 PolarHBondContact O-N 3.18Å; E232-N236 PolarHBondContact O-ND2 3.47Å; E232-N236 VanDerWaalsContact O-ND2 3.14Å
233E87.6Confident88.3Confident137 Ų13752.3 Ų52.364%0.6427%0.266SS*.Hα-helixtrans-59.6-50.1174.1-173.4168.8-168.100111.4T231 I235 N236 E237T231-E233 VanDerWaalsContact C-N 3.26Å; T231-E233 PolarHBondContact O-N 3.22Å; E233-I235 VanDerWaalsContact C-N 3.32Å; E233-I235 PolarHBondContact O-N 3.46Å; E233-N236 PolarHBondContact O-N 2.82Å; E233-N236 VanDerWaalsContact O-N 3.1Å; E233-E237 PolarHBondContact O-N 2.97Å
234S87Confident88.3Confident6 Ų648.2 Ų48.24%0.04225%0.246CC..Hα-helixtrans-65.9-31.1179.9-177.90000113.3Q230 T231 P260 E261Q230-S234 PolarHBondContact NE2-O 3.14Å; Q230-S234 PolarHBondContact NE2-OG 3.2Å; T231-S234 PolarHBondContact O-N 3.11Å; T231-S234 WeakPolarHBondContact OG1-CB 3.48Å; T231-S234 PolarHBondContact OG1-N 3.36Å; S234-P260 WeakPolarHBondContact OG-CA 3.48Å; S234-E261 PolarHBondContact OG-N 3Å; S234-E261 VanDerWaalsContact OG-N 3.08Å
235I88.6Confident88.5Confident41 Ų4153.9 Ų53.921%0.2127%0.266CS..Hα-helixtrans-69.2-38173.3-66.5167.6000111.1R38 Q230 T231 E232 E233 G238 P240R38-I235 HydrophobicContact CB-CD1 3.94Å; R38-I235 HydrophobicContact CG-CD1 4.27Å; Q230-I235 HydrophobicContact CB-CD1 4.17Å; Q230-I235 HydrophobicContact CB-CG1 3.96Å; Q230-I235 HydrophobicContact CG-CG1 3.82Å; T231-I235 WeakPolarHBondContact O-CG1 3.4Å; T231-I235 PolarHBondContact O-N 3.37Å; T231-I235 VanDerWaalsContact O-N 3.09Å; E232-I235 PolarHBondContact O-N 3.48Å; E233-I235 VanDerWaalsContact C-N 3.32Å; E233-I235 PolarHBondContact O-N 3.46Å; I235-G238 CarbonylContact O-C 3.57Å; I235-G238 PolarHBondContact O-N 3.08Å; I235-P240 HydrophobicContact CG1-CG 4.4Å
236N86.6Confident88.5Confident136 Ų13659.5 Ų59.573%0.72728%0.284SS*.Hα-helixtrans-72.5-30.3-179.7-70.7-27.5000112.5E232 E233E232-N236 WeakPolarHBondContact O-CB 3.32Å; E232-N236 PolarHBondContact O-N 3.18Å; E232-N236 PolarHBondContact O-ND2 3.47Å; E232-N236 VanDerWaalsContact O-ND2 3.14Å; E233-N236 PolarHBondContact O-N 2.82Å; E233-N236 VanDerWaalsContact O-N 3.1Å
237E84.9Confident88.5Confident83 Ų8360.2 Ų60.239%0.38829%0.286SS..Hα-helixtrans-66.1-35.6173.6-71.5-169.3143.400112.5E233 R258E233-E237 PolarHBondContact O-N 2.97Å; E237-R258 IonicContact OE1-CZ 3.97Å; E237-R258 IonicContact OE1-NH1 3.98Å; E237-R258 PolarHBondContact OE1-NH1 3.2Å; E237-R258 WeakPolarHBondContact OE2-CD 3.45Å
238G82.2Confident88.3Confident16 Ų1667.5 Ų67.517%0.16532%0.319CS..SBendtrans-164.1135.7-178.300000114I235I235-G238 CarbonylContact O-C 3.57Å; I235-G238 PolarHBondContact O-N 3.08Å
239H87.3Confident88Confident95 Ų9569.6 Ų69.644%0.4433%0.332SS..  trans-65.3125.1-177.6-163.8-82.2000111.4D37 H241 K242 C243D37-H239 IonicContact OD2-NE2 3.61Å; H239-H241 VanDerWaalsContact C-N 3.32Å; H239-H241 AromaticContact CE1-CD2 3.39Å; H239-H241 PolarHBondContact CE1-CD2 3.27Å; H239-H241 AromaticContact ND1-CD2 3.71Å; H239-H241 PolarHBondContact O-N 2.95Å; H239-H241 VanDerWaalsContact O-N 3.16Å; H239-K242 HydrophobicContact CB-CD 4.5Å; H239-K242 PolarHBondContact O-N 2.91Å; H239-C243 PolarHBondContact O-N 3.39Å
240P89.4Confident87.7Confident0 Ų070.3 Ų70.30%034%0.335CS..Hα-helixtrans-57.8-39.7-168.3-29.537.2000114.2D37 Y40 Y41 Q230 I235 K242 A244D37-P240 HydrophobicContact CB-CG 4.23Å; Y40-P240 HydrophobicContact CD1-CB 4Å; Y40-P240 HydrophobicContact CG-CB 4.2Å; Y41-P240 HydrophobicContact CE2-CB 3.88Å; Y41-P240 PolarHBondContact OH-O 2.99Å; Y41-P240 VanDerWaalsContact OH-O 3.11Å; Q230-P240 VanDerWaalsContact OE1-CG 3.24Å; I235-P240 HydrophobicContact CG1-CG 4.4Å; P240-K242 PolarHBondContact O-N 3.37Å; P240-A244 WeakPolarHBondContact O-CB 3.33Å; P240-A244 PolarHBondContact O-N 2.82Å
241H89.8Confident87.1Confident74 Ų7475.7 Ų75.734%0.34336%0.363SS..Hα-helixtrans-63.4-40.5179.4-63.9-105.3000112.7D37 Y40 H239D37-H241 IonicContact OD1-CD2 3.85Å; D37-H241 PolarHBondContact OD1-CD2 2.85Å; D37-H241 IonicContact OD1-CE1 2.9Å; D37-H241 IonicContact OD1-NE2 3.14Å; D37-H241 PolarHBondContact OD1-NE2 3.17Å; Y40-H241 AromaticContact CD2-CE1 3.45Å; Y40-H241 VanDerWaalsContact CD2-CE1 3.45Å; Y40-H241 WeakPolarHBondContact CD2-CE1 3.41Å; Y40-H241 AromaticContact CD2-ND1 3.72Å; Y40-H241 AromaticContact CD2-NE2 3.72Å; Y40-H241 AromaticContact CE2-CE1 3.42Å; Y40-H241 VanDerWaalsContact CE2-CE1 3.42Å; Y40-H241 WeakPolarHBondContact CE2-CE1 3.45Å; Y40-H241 AromaticContact CE2-CG 3.88Å; Y40-H241 AromaticContact CE2-ND1 3.25Å; Y40-H241 WeakPolarHBondContact CE2-ND1 3.48Å; Y40-H241 AromaticContact CZ-ND1 3.89Å; H239-H241 VanDerWaalsContact C-N 3.32Å; H239-H241 AromaticContact CE1-CD2 3.39Å; H239-H241 PolarHBondContact CE1-CD2 3.27Å; H239-H241 AromaticContact ND1-CD2 3.71Å; H239-H241 PolarHBondContact O-N 2.95Å; H239-H241 VanDerWaalsContact O-N 3.16Å
242K88.3Confident86.7Confident143 Ų14378.2 Ų78.262%0.62238%0.376SS*.Hα-helixtrans-74.9-46.6179.8-65.5-177.2-179.9178.70110.5H239 P240 A244 E245 Y246H239-K242 HydrophobicContact CB-CD 4.5Å; H239-K242 PolarHBondContact O-N 2.91Å; P240-K242 PolarHBondContact O-N 3.37Å; K242-A244 PolarHBondContact O-N 2.87Å; K242-E245 PolarHBondContact O-N 2.95Å; K242-Y246 WeakPolarHBondContact O-CD2 3.2Å
243C88.9Confident86Confident5 Ų581.2 Ų81.23%0.03439%0.39CS..Hα-helixtrans-68.5-20.4-178.3-66.20000113.2H239 E245 W250 C257H239-C243 PolarHBondContact O-N 3.39Å; C243-E245 VanDerWaalsContact C-N 3.3Å; C243-E245 PolarHBondContact O-N 2.96Å; C243-W250 PolarHBondContact O-NE1 3.42Å; C243-C257 WeakPolarHBondContact CA-SG 3.25Å; C243-C257 HydrophobicContact CB-CB 3.54Å; C243-C257 WeakPolarHBondContact CB-SG 3.47Å; C243-C257 WeakPolarHBondContact SG-CB 3.37Å; C243-C257 CovalentContact SG-SG 2.05Å; C243-C257 PolarHBondContact SG-SG 2.96Å
244A89.7Confident85.3Confident8 Ų882 Ų827%0.06640%0.399CS..THydrogen-bonded Turntrans-70.6-20171.500000114.6Y40 Y41 L137 P240 K242 F247Y40-A244 HydrophobicContact CE1-CB 3.57Å; Y41-A244 HydrophobicContact CE1-CB 3.76Å; Y41-A244 PolarHBondContact OH-N 3.28Å; L137-A244 HydrophobicContact CD2-CB 3.97Å; P240-A244 WeakPolarHBondContact O-CB 3.33Å; P240-A244 PolarHBondContact O-N 2.82Å; K242-A244 PolarHBondContact O-N 2.87Å; A244-F247 VanDerWaalsContact O-CD1 3.27Å; A244-F247 WeakPolarHBondContact O-CD1 3.34Å
245E88.6Confident84.7Confident148 Ų14882.9 Ų82.969%0.69241%0.405SS*.THydrogen-bonded Turntrans-81.7-30.8175.9-65.5179.2178.200111.6K242 C243K242-E245 PolarHBondContact O-N 2.95Å; C243-E245 VanDerWaalsContact C-N 3.3Å; C243-E245 PolarHBondContact O-N 2.96Å
246Y87.4Confident84.3Confident130 Ų13092.2 Ų92.251%0.5144%0.437SS..SBendtrans-99.531.9179.8-59-80.3000112.8K242 E248 M249K242-Y246 WeakPolarHBondContact O-CD2 3.2Å; Y246-E248 PolarHBondContact O-N 2.95Å; Y246-M249 PolarHBondContact O-N 2.9Å
247F87.4Confident84.1Confident39 Ų3986.5 Ų86.517%0.17141%0.408CS..G310 helixtrans-65.4-25-171.970-88.2000114.2L137 I140 A244 M249 W250L137-F247 HydrophobicContact CB-CD1 4.31Å; L137-F247 HydrophobicContact CB-CE1 4.49Å; L137-F247 HydrophobicContact CB-CG 4.31Å; L137-F247 HydrophobicContact CD1-CB 3.67Å; L137-F247 HydrophobicContact CD1-CD1 4.44Å; L137-F247 HydrophobicContact CD1-CD2 4.47Å; L137-F247 HydrophobicContact CD1-CG 3.94Å; I140-F247 HydrophobicContact CD1-CD2 3.47Å; I140-F247 VanDerWaalsContact CD1-CD2 3.47Å; I140-F247 HydrophobicContact CD1-CE2 3.51Å; A244-F247 VanDerWaalsContact O-CD1 3.27Å; A244-F247 WeakPolarHBondContact O-CD1 3.34Å; F247-M249 PolarHBondContact O-N 3.18Å; F247-W250 HydrophobicContact CB-CD2 4.14Å; F247-W250 HydrophobicContact CB-CE3 4.37Å; F247-W250 HydrophobicContact CB-CH2 4.05Å; F247-W250 HydrophobicContact CB-CZ2 3.76Å; F247-W250 HydrophobicContact CB-CZ3 4.33Å
248E85.1Confident84.1Confident164 Ų16490.3 Ų90.377%0.76642%0.418SS*.G310 helixtrans-69.3-20.2175.5-61-178.1174.400112.6Y246Y246-E248 PolarHBondContact O-N 2.95Å
249M84.9Confident84.2Confident85 Ų8594.9 Ų94.942%0.41943%0.431SS..G310 helixtrans-10410.8-177.2-58-176.673.800113.2Y246 F247 D251 D252 C255Y246-M249 PolarHBondContact O-N 2.9Å; F247-M249 PolarHBondContact O-N 3.18Å; M249-D251 PolarHBondContact O-N 3.13Å; M249-D252 HydrophobicContact CB-CB 4.4Å; M249-D252 WeakPolarHBondContact O-CB 3.49Å; M249-D252 PolarHBondContact O-N 3.17Å; M249-D252 VanDerWaalsContact O-N 3.08Å; M249-C255 HydrophobicContact CB-CB 4.28Å; M249-C255 VanDerWaalsContact O-CB 3.31Å; M249-C255 WeakPolarHBondContact O-CB 3.36Å
250W85.6Confident84.3Confident14 Ų1490.4 Ų90.45%0.05341%0.41CS..THydrogen-bonded Turntrans-63.1-22.9-178-77.6-12.5000114.7Y41 L137 I140 L141 C243 F247 R259 P260Y41-W250 HydrophobicContact CD1-CH2 4.49Å; Y41-W250 AromaticContact CE1-CH2 3.92Å; Y41-W250 HydrophobicContact CE1-CH2 3.92Å; Y41-W250 AromaticContact CE1-CZ2 3.83Å; Y41-W250 HydrophobicContact CE1-CZ2 3.83Å; L137-W250 HydrophobicContact CD1-CH2 3.49Å; L137-W250 VanDerWaalsContact CD1-CH2 3.49Å; L137-W250 HydrophobicContact CD1-CZ2 4.05Å; L137-W250 HydrophobicContact CD1-CZ3 4.23Å; I140-W250 HydrophobicContact CG2-CZ3 4.4Å; L141-W250 HydrophobicContact CD2-CH2 3.93Å; L141-W250 HydrophobicContact CD2-CZ3 4.09Å; L141-W250 HydrophobicContact CG-CH2 4.49Å; C243-W250 PolarHBondContact O-NE1 3.42Å; F247-W250 HydrophobicContact CB-CD2 4.14Å; F247-W250 HydrophobicContact CB-CE3 4.37Å; F247-W250 HydrophobicContact CB-CH2 4.05Å; F247-W250 HydrophobicContact CB-CZ2 3.76Å; F247-W250 HydrophobicContact CB-CZ3 4.33Å; W250-R259 HydrophobicContact CB-CB 4.3Å; W250-R259 HydrophobicContact CE3-CG 4.35Å; W250-P260 HydrophobicContact CH2-CG 3.72Å; W250-P260 HydrophobicContact CZ2-CG 4.15Å; W250-P260 HydrophobicContact CZ3-CG 3.95Å
251D79.8Confident84.3Confident116 Ų11694.8 Ų94.862%0.6243%0.431SS*.THydrogen-bonded Turntrans-97.72.1178.9-60.4-27.3000112.3M249 R259M249-D251 PolarHBondContact O-N 3.13Å; D251-R259 IonicContact OD1-CZ 3.06Å; D251-R259 VanDerWaalsContact OD1-CZ 3.28Å; D251-R259 IonicContact OD1-NE 3.29Å; D251-R259 PolarHBondContact OD1-NE 3.41Å; D251-R259 VanDerWaalsContact OD1-NE 3.14Å; D251-R259 IonicContact OD1-NH2 2.97Å; D251-R259 PolarHBondContact OD1-NH2 3.36Å; D251-R259 IonicContact OD2-CZ 2.77Å; D251-R259 IonicContact OD2-NH2 3.43Å; D251-R259 PolarHBondContact OD2-NH2 2.82Å
252D83Confident84.3Confident74 Ų7491.5 Ų91.540%0.39642%0.415SS..  trans-83.6131177.4-168.4-8.1000110.7M249 D254 C255M249-D252 HydrophobicContact CB-CB 4.4Å; M249-D252 WeakPolarHBondContact O-CB 3.49Å; M249-D252 PolarHBondContact O-N 3.17Å; M249-D252 VanDerWaalsContact O-N 3.08Å; D252-D254 VanDerWaalsContact C-N 3.26Å; D252-D254 PolarHBondContact O-N 3.42Å; D252-D254 PolarHBondContact OD1-N 3.34Å; D252-C255 HydrophobicContact CB-CB 4.17Å; D252-C255 PolarHBondContact O-N 3.21Å
253H73Confident84.4Confident192 Ų19288.4 Ų88.489%0.88940%0.403SS*.THydrogen-bonded Turntrans-65.7-26.8-178.3-89.4-72.1000113.2
254D73.3Confident84.3Confident153 Ų15389.2 Ų89.282%0.81841%0.413SS*.THydrogen-bonded Turntrans-90.4-5.4-178.4-72.2-28.4000113.2D252D252-D254 VanDerWaalsContact C-N 3.26Å; D252-D254 PolarHBondContact O-N 3.42Å; D252-D254 PolarHBondContact OD1-N 3.34Å
255C75.6Confident84.1Confident25 Ų2590.1 Ų90.117%0.16942%0.415CS..  trans-80.8133.8179-169.40000111.5M249 D252 C257M249-C255 HydrophobicContact CB-CB 4.28Å; M249-C255 VanDerWaalsContact O-CB 3.31Å; M249-C255 WeakPolarHBondContact O-CB 3.36Å; D252-C255 HydrophobicContact CB-CB 4.17Å; D252-C255 PolarHBondContact O-N 3.21Å; C255-C257 PolarHBondContact O-N 3.16Å; C255-C257 PolarHBondContact SG-N 3.15Å; C255-C257 VanDerWaalsContact SG-N 3.42Å
256R78.9Confident83.9Confident236 Ų23686.8 Ų86.889%0.89141%0.407SS*.SBendtrans-70.9-16.8173-69.2-173.6-140.3-163.33.4113.3
257C83.8Confident84Confident16 Ų1682.3 Ų82.311%0.10839%0.394CS..  trans-100.4108-179.4-760000110C243 C255C243-C257 WeakPolarHBondContact CA-SG 3.25Å; C243-C257 HydrophobicContact CB-CB 3.54Å; C243-C257 WeakPolarHBondContact CB-SG 3.47Å; C243-C257 WeakPolarHBondContact SG-CB 3.37Å; C243-C257 CovalentContact SG-SG 2.05Å; C243-C257 PolarHBondContact SG-SG 2.96Å; C255-C257 PolarHBondContact O-N 3.16Å; C255-C257 PolarHBondContact SG-N 3.15Å; C255-C257 VanDerWaalsContact SG-N 3.42Å
258R83.8Confident84.1Confident163 Ų16384 Ų8462%0.61540%0.402SS*.PPolyproline II helixtrans-84.1163173.5-68.3-179.7175.1179-4.6111.4E237E237-R258 IonicContact OE1-CZ 3.97Å; E237-R258 IonicContact OE1-NH1 3.98Å; E237-R258 PolarHBondContact OE1-NH1 3.2Å; E237-R258 WeakPolarHBondContact OE2-CD 3.45Å
259R85.6Confident84.4Confident112 Ų11276.9 Ų76.942%0.42337%0.371SS..PPolyproline II helixtrans-57.3131.1173.6-172.3178.8-73.2-153-5.2110.5L144 W250 D251L144-R259 HydrophobicContact CD2-CG 4.35Å; W250-R259 HydrophobicContact CB-CB 4.3Å; W250-R259 HydrophobicContact CE3-CG 4.35Å; D251-R259 IonicContact OD1-CZ 3.06Å; D251-R259 VanDerWaalsContact OD1-CZ 3.28Å; D251-R259 IonicContact OD1-NE 3.29Å; D251-R259 PolarHBondContact OD1-NE 3.41Å; D251-R259 VanDerWaalsContact OD1-NE 3.14Å; D251-R259 IonicContact OD1-NH2 2.97Å; D251-R259 PolarHBondContact OD1-NH2 3.36Å; D251-R259 IonicContact OD2-CZ 2.77Å; D251-R259 IonicContact OD2-NH2 3.43Å; D251-R259 PolarHBondContact OD2-NH2 2.82Å
260P88.6Confident84.7Confident2 Ų278.6 Ų78.61%0.01337%0.372CS..PPolyproline II helixtrans-70.1139.9-176.427.4-34.5000112Y41 L141 S153 Q230 S234 W250 F262Y41-P260 HydrophobicContact CD2-CB 3.96Å; Y41-P260 HydrophobicContact CD2-CG 4.23Å; Y41-P260 HydrophobicContact CE2-CB 3.7Å; Y41-P260 HydrophobicContact CE2-CG 4.04Å; L141-P260 HydrophobicContact CD2-CG 4.09Å; S153-P260 PolarHBondContact OG-O 3.31Å; Q230-P260 HydrophobicContact CG-CB 4.37Å; S234-P260 WeakPolarHBondContact OG-CA 3.48Å; W250-P260 HydrophobicContact CH2-CG 3.72Å; W250-P260 HydrophobicContact CZ2-CG 4.15Å; W250-P260 HydrophobicContact CZ3-CG 3.95Å; P260-F262 HydrophobicContact CB-CE1 4.49Å; P260-F262 HydrophobicContact CB-CE2 4.11Å; P260-F262 HydrophobicContact CB-CZ 3.8Å; P260-F262 HydrophobicContact CG-CE2 3.94Å; P260-F262 HydrophobicContact CG-CZ 3.77Å; P260-F262 WeakPolarHBondContact O-CE2 3.44Å
261E89.3Confident85Confident91 Ų9182.8 Ų82.843%0.42539%0.391SS..PPolyproline II helixtrans-103.2139175.6-64.8-171171.100112.3S153 Q230 T231 S234S153-E261 VanDerWaalsContact OG-CA 3.27Å; S153-E261 WeakPolarHBondContact OG-CA 3.37Å; Q230-E261 CarbonylContact C-O 3.55Å; Q230-E261 WeakPolarHBondContact CA-O 3.43Å; Q230-E261 WeakPolarHBondContact CG-O 3.24Å; T231-E261 HydrophobicContact CG2-CB 4.14Å; T231-E261 PolarHBondContact N-O 2.89Å; S234-E261 PolarHBondContact OG-N 3Å; S234-E261 VanDerWaalsContact OG-N 3.08Å
262F90.8Very high85.7Confident5 Ų580.6 Ų80.62%0.02237%0.374CS..EExtended strand (participates in β ladder)trans-122.2133.4-173.5-58.9-74.9000113.7Y41 L141 L144 S153 W154 L155 R228 G229 Q230 P260Y41-F262 HydrophobicContact CD2-CE1 4.15Å; Y41-F262 HydrophobicContact CD2-CZ 4.1Å; Y41-F262 HydrophobicContact CG-CE1 4.36Å; Y41-F262 HydrophobicContact CG-CZ 4.14Å; L141-F262 HydrophobicContact CD2-CE2 4.2Å; L141-F262 HydrophobicContact CD2-CZ 3.94Å; L144-F262 HydrophobicContact CD1-CD2 4.27Å; L144-F262 HydrophobicContact CD1-CE2 3.71Å; S153-F262 WeakPolarHBondContact OG-CD2 3.23Å; S153-F262 PolarHBondContact OG-N 2.89Å; W154-F262 WeakPolarHBondContact O-CB 3.36Å; L155-F262 HydrophobicContact CB-CD2 3.99Å; L155-F262 HydrophobicContact CB-CE2 4.12Å; L155-F262 HydrophobicContact CB-CG 4.26Å; L155-F262 HydrophobicContact CD1-CD1 3.77Å; L155-F262 HydrophobicContact CD1-CE1 4.04Å; L155-F262 HydrophobicContact CD1-CG 4.06Å; L155-F262 HydrophobicContact CD2-CD1 4.45Å; L155-F262 HydrophobicContact CD2-CE1 3.94Å; L155-F262 HydrophobicContact CD2-CE2 4.2Å; L155-F262 HydrophobicContact CD2-CZ 3.8Å; L155-F262 HydrophobicContact CG-CE1 4.47Å; R228-F262 HydrophobicContact CB-CB 4.27Å; R228-F262 PolarHBondContact NE-O 3.41Å; R228-F262 PolarHBondContact NH2-O 3.45Å; G229-F262 WeakPolarHBondContact O-CA 3.42Å; Q230-F262 HydrophobicContact CB-CD1 4.41Å; Q230-F262 HydrophobicContact CB-CE1 4.32Å; P260-F262 HydrophobicContact CB-CE1 4.49Å; P260-F262 HydrophobicContact CB-CE2 4.11Å; P260-F262 HydrophobicContact CB-CZ 3.8Å; P260-F262 HydrophobicContact CG-CE2 3.94Å; P260-F262 HydrophobicContact CG-CZ 3.77Å; P260-F262 WeakPolarHBondContact O-CE2 3.44Å
263E90Very high86.2Confident78 Ų7877.8 Ų77.836%0.36436%0.359SS..EExtended strand (participates in β ladder)trans-119145.9172.961.7176-164.700112.2R38 R228 G229 T231R38-E263 IonicContact CZ-OE1 3.88Å; R38-E263 IonicContact NH1-OE1 3.63Å; R38-E263 IonicContact NH2-OE1 2.97Å; R38-E263 PolarHBondContact NH2-OE1 3.06Å; R228-E263 VanDerWaalsContact CA-O 3.24Å; R228-E263 WeakPolarHBondContact CA-O 3.37Å; R228-E263 WeakPolarHBondContact CB-O 3.23Å; G229-E263 PolarHBondContact N-O 3.29Å; G229-E263 PolarHBondContact O-N 3.01Å; T231-E263 HydrophobicContact CG2-CB 3.95Å; T231-E263 HydrophobicContact CG2-CG 3.86Å
264G87.4Confident87.2Confident23 Ų2372.8 Ų72.824%0.23734%0.338CS..EExtended strand (participates in β ladder)trans-70.914117200000110.6G225G225-G264 WeakPolarHBondContact O-CA 3.42Å
265Q83.5Confident88.1Confident26 Ų2668.4 Ų68.412%0.12132%0.323CS..PPolyproline II helixtrans-66.6141.3174.2-70.8-162.6-17.400111.5Y33 Y39 V227Y33-Q265 PolarHBondContact OH-NE2 3.26Å; Y33-Q265 PolarHBondContact OH-OE1 2.85Å; Y39-Q265 PolarHBondContact OH-NE2 3.02Å; V227-Q265 PolarHBondContact O-N 2.82Å
266P85.9Confident89Confident78 Ų7867.6 Ų67.651%0.50632%0.318SS..PPolyproline II helixtrans-62.6147.5172.326.8-33.8000110.8E268P266-E268 PolarHBondContact O-N 3.28Å
267P88.3Confident89.7Confident37 Ų3758.2 Ų58.224%0.2429%0.287CS..PPolyproline II helixtrans-67.6123.3174.628-33.9000110I223 W270I223-P267 HydrophobicContact CG1-CB 4.14Å; I223-P267 HydrophobicContact CG1-CG 4.07Å; P267-W270 PolarHBondContact O-NE1 2.73Å
268E89.3Confident90.2Very high74 Ų7461.6 Ų61.635%0.34630%0.303SS..  trans-104.5-20.6179.4-67.9-64.1128.200112.8P266 W270 K271P266-E268 PolarHBondContact O-N 3.28Å; E268-W270 VanDerWaalsContact C-N 3.29Å; E268-W270 PolarHBondContact O-N 3.37Å; E268-K271 WeakPolarHBondContact O-CB 3.01Å; E268-K271 PolarHBondContact O-N 3.42Å; E268-K271 IonicContact OE1-NZ 2.7Å; E268-K271 PolarHBondContact OE1-NZ 3.22Å; E268-K271 VanDerWaalsContact OE2-CD 3.28Å; E268-K271 WeakPolarHBondContact OE2-CD 3.37Å; E268-K271 VanDerWaalsContact OE2-CE 3.31Å; E268-K271 WeakPolarHBondContact OE2-CE 3.44Å; E268-K271 IonicContact OE2-NZ 3.94Å; E268-K271 PolarHBondContact OE2-NZ 3.31Å
269S91.4Very high90.6Very high15 Ų1557.9 Ų57.911%0.10529%0.294CS..Hα-helixtrans-59-34.8-172.8-65.90000114N61 L218 K271 W272 I273N61-S269 VanDerWaalsContact CG-OG 3.3Å; N61-S269 PolarHBondContact ND2-OG 3.25Å; N61-S269 VanDerWaalsContact ND2-OG 3.08Å; N61-S269 WeakPolarHBondContact OD1-CB 3.33Å; N61-S269 PolarHBondContact OD1-OG 3.45Å; L218-S269 WeakPolarHBondContact O-CB 3.34Å; S269-K271 PolarHBondContact O-N 3.47Å; S269-W272 PolarHBondContact O-N 3.04Å; S269-W272 VanDerWaalsContact O-N 3.16Å; S269-I273 PolarHBondContact O-N 2.99Å
270W91.1Very high91Very high121 Ų12154 Ų5446%0.45828%0.28SS..Hα-helixtrans-60.2-32.8177.768.4-92.3000112.6P267 E268 W272 I273 L274P267-W270 PolarHBondContact O-NE1 2.73Å; E268-W270 VanDerWaalsContact C-N 3.29Å; E268-W270 PolarHBondContact O-N 3.37Å; W270-W272 VanDerWaalsContact C-N 3.29Å; W270-W272 PolarHBondContact O-N 2.65Å; W270-I273 PolarHBondContact O-N 2.91Å; W270-L274 HydrophobicContact CE3-CD2 4.37Å; W270-L274 HydrophobicContact CZ3-CD2 4.15Å; W270-L274 VanDerWaalsContact O-CB 3.3Å; W270-L274 WeakPolarHBondContact O-CB 3.31Å; W270-L274 PolarHBondContact O-N 3.26Å
271K93.2Very high91.2Very high102 Ų10257.9 Ų57.944%0.44330%0.3SS..Hα-helixtrans-64.7-35.8179.3-58.7-179.1-171.1168.10111.6E268 S269E268-K271 WeakPolarHBondContact O-CB 3.01Å; E268-K271 PolarHBondContact O-N 3.42Å; E268-K271 IonicContact OE1-NZ 2.7Å; E268-K271 PolarHBondContact OE1-NZ 3.22Å; E268-K271 VanDerWaalsContact OE2-CD 3.28Å; E268-K271 WeakPolarHBondContact OE2-CD 3.37Å; E268-K271 VanDerWaalsContact OE2-CE 3.31Å; E268-K271 WeakPolarHBondContact OE2-CE 3.44Å; E268-K271 IonicContact OE2-NZ 3.94Å; E268-K271 PolarHBondContact OE2-NZ 3.31Å; S269-K271 PolarHBondContact O-N 3.47Å
272W94.3Very high91.4Very high69 Ų6956.5 Ų56.526%0.26130%0.299SS..Hα-helixtrans-73.4-36.6180-67.588.1000112.5L58 N61 F62 M65 S269 W270 P276L58-W272 HydrophobicContact CD1-CH2 4.48Å; L58-W272 HydrophobicContact CD1-CZ2 3.72Å; N61-W272 HydrophobicContact CB-CB 4.15Å; N61-W272 HydrophobicContact CB-CD2 4.03Å; N61-W272 HydrophobicContact CB-CG 3.71Å; F62-W272 HydrophobicContact CB-CZ3 4.25Å; F62-W272 HydrophobicContact CD2-CZ3 4.06Å; M65-W272 HydrophobicContact CB-CB 4.39Å; M65-W272 HydrophobicContact CB-CE3 4.38Å; M65-W272 WeakPolarHBondContact CB-O 3.39Å; M65-W272 HydrophobicContact CE-CE3 4.32Å; M65-W272 HydrophobicContact CE-CZ3 4.3Å; M65-W272 VanDerWaalsContact CG-O 3.23Å; M65-W272 WeakPolarHBondContact CG-O 3.21Å; M65-W272 HydrophobicContact SD-CE3 3.78Å; M65-W272 HydrophobicContact SD-CZ3 4.22Å; S269-W272 PolarHBondContact O-N 3.04Å; S269-W272 VanDerWaalsContact O-N 3.16Å; W270-W272 VanDerWaalsContact C-N 3.29Å; W270-W272 PolarHBondContact O-N 2.65Å; W272-P276 WeakPolarHBondContact O-CD 3.33Å
273I93.6Very high91.4Very high15 Ų1556.6 Ų56.68%0.07730%0.3CS..Hα-helixtrans-91.8-19.4-175.762.1174.3000113.9I215 L218 S269 W270 A275 P276 V277I215-I273 HydrophobicContact CG2-CD1 4.05Å; I215-I273 WeakPolarHBondContact O-CD1 3.39Å; L218-I273 HydrophobicContact CD2-CG2 3.88Å; S269-I273 PolarHBondContact O-N 2.99Å; W270-I273 PolarHBondContact O-N 2.91Å; I273-A275 PolarHBondContact O-N 2.97Å; I273-P276 WeakPolarHBondContact O-CD 3.3Å; I273-V277 HydrophobicContact CB-CG2 4.31Å; I273-V277 VanDerWaalsContact O-CB 3.25Å; I273-V277 WeakPolarHBondContact O-CB 3.39Å; I273-V277 WeakPolarHBondContact O-CG2 3.18Å; I273-V277 PolarHBondContact O-N 3.46Å
274L93Very high91.4Very high87 Ų8758 Ų5846%0.45530%0.302SS..Hα-helixtrans-56.5-56.3-173.1-178.963000112.7W270 V277 I278W270-L274 HydrophobicContact CE3-CD2 4.37Å; W270-L274 HydrophobicContact CZ3-CD2 4.15Å; W270-L274 VanDerWaalsContact O-CB 3.3Å; W270-L274 WeakPolarHBondContact O-CB 3.31Å; W270-L274 PolarHBondContact O-N 3.26Å; L274-V277 PolarHBondContact O-N 2.99Å; L274-I278 HydrophobicContact CD1-CD1 3.77Å; L274-I278 HydrophobicContact CD1-CG1 4.32Å; L274-I278 HydrophobicContact CG-CD1 3.88Å; L274-I278 VanDerWaalsContact O-CG1 3.28Å; L274-I278 WeakPolarHBondContact O-CG1 3.3Å; L274-I278 PolarHBondContact O-N 2.79Å
275A93.4Very high91.6Very high61 Ų6162.1 Ų62.150%0.50432%0.317SS..Hα-helixtrans-64.3-48-177.500000113I273 V277 I278 L279I273-A275 PolarHBondContact O-N 2.97Å; A275-V277 VanDerWaalsContact C-N 3.32Å; A275-V277 PolarHBondContact O-N 3.42Å; A275-I278 PolarHBondContact O-N 3.42Å; A275-L279 WeakPolarHBondContact O-CG 3.28Å; A275-L279 PolarHBondContact O-N 2.9Å
276P93.4Very high91.8Very high9 Ų965.8 Ų65.86%0.05834%0.337CS..Hα-helixtrans-59.2-38.6174.7-23.730.8000114.1M65 L69 W272 I273 L279 Y280M65-P276 HydrophobicContact CB-CG 4.25Å; M65-P276 HydrophobicContact CG-CG 3.53Å; M65-P276 WeakPolarHBondContact O-CB 3.15Å; M65-P276 WeakPolarHBondContact O-CG 3.25Å; L69-P276 HydrophobicContact CD2-CB 4.4Å; W272-P276 WeakPolarHBondContact O-CD 3.33Å; I273-P276 WeakPolarHBondContact O-CD 3.3Å; P276-L279 PolarHBondContact O-N 3.31Å; P276-Y280 WeakPolarHBondContact O-CB 3.46Å; P276-Y280 PolarHBondContact O-N 2.75Å
277V93.9Very high91.9Very high39 Ų3962.9 Ų62.924%0.23632%0.316CS..Hα-helixtrans-67.3-44178.3168.30000110.9L68 I215 I273 L274 A275 L279 Y280 I281L68-V277 HydrophobicContact CD1-CG2 3.99Å; I215-V277 HydrophobicContact CG2-CG2 3.71Å; I273-V277 HydrophobicContact CB-CG2 4.31Å; I273-V277 VanDerWaalsContact O-CB 3.25Å; I273-V277 WeakPolarHBondContact O-CB 3.39Å; I273-V277 WeakPolarHBondContact O-CG2 3.18Å; I273-V277 PolarHBondContact O-N 3.46Å; L274-V277 PolarHBondContact O-N 2.99Å; A275-V277 VanDerWaalsContact C-N 3.32Å; A275-V277 PolarHBondContact O-N 3.42Å; V277-L279 VanDerWaalsContact C-N 3.35Å; V277-L279 PolarHBondContact O-N 2.9Å; V277-Y280 PolarHBondContact O-N 3.39Å; V277-I281 HydrophobicContact CG1-CD1 3.72Å; V277-I281 HydrophobicContact CG1-CG1 4.36Å; V277-I281 VanDerWaalsContact O-CG1 3.3Å; V277-I281 WeakPolarHBondContact O-CG1 3.36Å; V277-I281 PolarHBondContact O-N 3.16Å
278I94.4Very high91.8Very high87 Ų8767.5 Ų67.545%0.44633%0.333SS..Hα-helixtrans-58.8-48.7174.8-70167.8000110.2L274 A275 Y280 I281 C282L274-I278 HydrophobicContact CD1-CD1 3.77Å; L274-I278 HydrophobicContact CD1-CG1 4.32Å; L274-I278 HydrophobicContact CG-CD1 3.88Å; L274-I278 VanDerWaalsContact O-CG1 3.28Å; L274-I278 WeakPolarHBondContact O-CG1 3.3Å; L274-I278 PolarHBondContact O-N 2.79Å; A275-I278 PolarHBondContact O-N 3.42Å; I278-Y280 VanDerWaalsContact C-N 3.31Å; I278-Y280 PolarHBondContact O-N 2.95Å; I278-I281 PolarHBondContact O-N 3.46Å; I278-C282 WeakPolarHBondContact O-CB 3.48Å; I278-C282 PolarHBondContact O-N 3.47Å; I278-C282 PolarHBondContact O-SG 2.75Å
279L93.3Very high91.7Very high84 Ų8472.6 Ų72.644%0.4435%0.35SS..Hα-helixtrans-58.4-43.6177.9-72.3172.5000112L69 A275 P276 V277 C282 E283L69-L279 HydrophobicContact CD2-CD1 4.18Å; A275-L279 WeakPolarHBondContact O-CG 3.28Å; A275-L279 PolarHBondContact O-N 2.9Å; P276-L279 PolarHBondContact O-N 3.31Å; V277-L279 VanDerWaalsContact C-N 3.35Å; V277-L279 PolarHBondContact O-N 2.9Å; L279-C282 PolarHBondContact O-N 3.41Å; L279-E283 PolarHBondContact O-N 2.97Å
280Y93.2Very high91.4Very high31 Ų3174.9 Ų74.912%0.12236%0.356CS..Hα-helixtrans-63.9-43.9177.2177.9-100.2000112.2L68 F211 P276 V277 I278 E283 R284L68-Y280 HydrophobicContact CD1-CG 4.46Å; F211-Y280 HydrophobicContact CE2-CE1 4.21Å; F211-Y280 AromaticContact CZ-CE1 3.95Å; F211-Y280 HydrophobicContact CZ-CE1 3.95Å; F211-Y280 AromaticContact CZ-CZ 3.91Å; F211-Y280 WeakPolarHBondContact CZ-OH 3.26Å; P276-Y280 WeakPolarHBondContact O-CB 3.46Å; P276-Y280 PolarHBondContact O-N 2.75Å; V277-Y280 PolarHBondContact O-N 3.39Å; I278-Y280 VanDerWaalsContact C-N 3.31Å; I278-Y280 PolarHBondContact O-N 2.95Å; Y280-E283 PolarHBondContact O-N 3.4Å; Y280-R284 HydrophobicContact CD1-CG 4.3Å; Y280-R284 HydrophobicContact CE1-CG 3.93Å; Y280-R284 HydrophobicContact CE2-CG 4.4Å; Y280-R284 WeakPolarHBondContact O-CG 3.38Å; Y280-R284 PolarHBondContact O-N 2.85Å; Y280-R284 VanDerWaalsContact OH-CZ 3.28Å; Y280-R284 PolarHBondContact OH-NE 3.16Å; Y280-R284 PolarHBondContact OH-NH2 3.39Å
281I93.1Very high90.9Very high84 Ų8469.4 Ų69.443%0.43134%0.337SS..Hα-helixtrans-62.9-46.1176.7-69.7168.5000110.4V277 I278 E283 R284 I285V277-I281 HydrophobicContact CG1-CD1 3.72Å; V277-I281 HydrophobicContact CG1-CG1 4.36Å; V277-I281 VanDerWaalsContact O-CG1 3.3Å; V277-I281 WeakPolarHBondContact O-CG1 3.36Å; V277-I281 PolarHBondContact O-N 3.16Å; I278-I281 PolarHBondContact O-N 3.46Å; I281-E283 VanDerWaalsContact C-N 3.3Å; I281-E283 PolarHBondContact O-N 2.72Å; I281-R284 PolarHBondContact O-N 3.06Å; I281-R284 VanDerWaalsContact O-N 3.07Å; I281-I285 HydrophobicContact CG2-CD1 3.81Å; I281-I285 HydrophobicContact CG2-CG1 4.37Å; I281-I285 WeakPolarHBondContact O-CG1 3.49Å; I281-I285 PolarHBondContact O-N 3.27Å
282C93.1Very high90.4Very high61 Ų6168.8 Ų68.841%0.41234%0.335SS..Hα-helixtrans-56.9-44.4175.1-70.40000111.4I278 L279 R284 I285 L286I278-C282 WeakPolarHBondContact O-CB 3.48Å; I278-C282 PolarHBondContact O-N 3.47Å; I278-C282 PolarHBondContact O-SG 2.75Å; L279-C282 PolarHBondContact O-N 3.41Å; C282-R284 VanDerWaalsContact C-N 3.35Å; C282-R284 PolarHBondContact O-N 3.22Å; C282-I285 PolarHBondContact O-N 3.36Å; C282-L286 WeakPolarHBondContact O-CB 3.37Å; C282-L286 VanDerWaalsContact O-CG 3.27Å; C282-L286 WeakPolarHBondContact O-CG 3.34Å; C282-L286 PolarHBondContact O-N 3.37Å
283E91.3Very high89.8Confident8 Ų869.1 Ų69.14%0.03734%0.34CS..Hα-helixtrans-59.8-43.3173.9171.3162154.800112.3C72 R73 S74 L75 L279 Y280 I281 L286 R287C72-E283 VanDerWaalsContact C-CD 3.43Å; C72-E283 VanDerWaalsContact CA-OE1 3.29Å; C72-E283 WeakPolarHBondContact CA-OE1 3.27Å; C72-E283 WeakPolarHBondContact CA-OE2 3.45Å; C72-E283 WeakPolarHBondContact CB-OE2 3.4Å; R73-E283 PolarHBondContact N-OE1 2.8Å; R73-E283 PolarHBondContact N-OE2 2.79Å; S74-E283 PolarHBondContact N-OE1 3.5Å; S74-E283 PolarHBondContact N-OE2 2.8Å; L75-E283 PolarHBondContact N-OE2 2.8Å; L279-E283 PolarHBondContact O-N 2.97Å; Y280-E283 PolarHBondContact O-N 3.4Å; I281-E283 VanDerWaalsContact C-N 3.3Å; I281-E283 PolarHBondContact O-N 2.72Å; E283-L286 PolarHBondContact O-N 2.97Å; E283-R287 HydrophobicContact CG-CG 4.38Å; E283-R287 WeakPolarHBondContact O-CG 3.48Å; E283-R287 PolarHBondContact O-N 2.85Å; E283-R287 IonicContact OE1-CZ 3.31Å; E283-R287 VanDerWaalsContact OE1-CZ 3.29Å; E283-R287 IonicContact OE1-NE 3.44Å; E283-R287 PolarHBondContact OE1-NE 3.49Å; E283-R287 IonicContact OE1-NH2 2.79Å; E283-R287 PolarHBondContact OE1-NH2 2.93Å
284R90.1Very high89.3Confident108 Ų10877.7 Ų77.741%0.40838%0.377SS..Hα-helixtrans-64.4-40.7179.1-69.1-59.8-177.3176.32.3112.3Y280 I281 C282 R287 F288Y280-R284 HydrophobicContact CD1-CG 4.3Å; Y280-R284 HydrophobicContact CE1-CG 3.93Å; Y280-R284 HydrophobicContact CE2-CG 4.4Å; Y280-R284 WeakPolarHBondContact O-CG 3.38Å; Y280-R284 PolarHBondContact O-N 2.85Å; Y280-R284 VanDerWaalsContact OH-CZ 3.28Å; Y280-R284 PolarHBondContact OH-NE 3.16Å; Y280-R284 PolarHBondContact OH-NH2 3.39Å; I281-R284 PolarHBondContact O-N 3.06Å; I281-R284 VanDerWaalsContact O-N 3.07Å; C282-R284 VanDerWaalsContact C-N 3.35Å; C282-R284 PolarHBondContact O-N 3.22Å; R284-R287 PolarHBondContact O-N 3.05Å; R284-F288 WeakPolarHBondContact O-CB 3.38Å; R284-F288 PolarHBondContact O-N 3.36Å
285I91.3Very high89Confident108 Ų10875 Ų7555%0.55436%0.364SS*.Hα-helixtrans-62.7-45.5174.5-67.1168.8000110.4I281 C282 R287 F288 Y289I281-I285 HydrophobicContact CG2-CD1 3.81Å; I281-I285 HydrophobicContact CG2-CG1 4.37Å; I281-I285 WeakPolarHBondContact O-CG1 3.49Å; I281-I285 PolarHBondContact O-N 3.27Å; C282-I285 PolarHBondContact O-N 3.36Å; I285-R287 PolarHBondContact O-N 3.45Å; I285-F288 PolarHBondContact O-N 3.39Å; I285-Y289 PolarHBondContact O-N 2.93Å
286L88.4Confident88.8Confident104 Ų10476.2 Ų76.255%0.54537%0.365SS..Hα-helixtrans-61.3-42.5178-73171.7000112.3C282 E283 Y289 R290C282-L286 WeakPolarHBondContact O-CB 3.37Å; C282-L286 VanDerWaalsContact O-CG 3.27Å; C282-L286 WeakPolarHBondContact O-CG 3.34Å; C282-L286 PolarHBondContact O-N 3.37Å; E283-L286 PolarHBondContact O-N 2.97Å; L286-Y289 PolarHBondContact O-N 2.98Å; L286-R290 WeakPolarHBondContact O-CG 3.4Å; L286-R290 PolarHBondContact O-N 2.81Å
287R87.3Confident88.8Confident16 Ų1677.4 Ų77.46%0.0637%0.37CS..Hα-helixtrans-63.5-44.7175.3-74.3173.7178.7-92.6-0.7112E283 R284 I285 Y289 R290 S291 D382E283-R287 HydrophobicContact CG-CG 4.38Å; E283-R287 WeakPolarHBondContact O-CG 3.48Å; E283-R287 PolarHBondContact O-N 2.85Å; E283-R287 IonicContact OE1-CZ 3.31Å; E283-R287 VanDerWaalsContact OE1-CZ 3.29Å; E283-R287 IonicContact OE1-NE 3.44Å; E283-R287 PolarHBondContact OE1-NE 3.49Å; E283-R287 IonicContact OE1-NH2 2.79Å; E283-R287 PolarHBondContact OE1-NH2 2.93Å; R284-R287 PolarHBondContact O-N 3.05Å; I285-R287 PolarHBondContact O-N 3.45Å; R287-Y289 VanDerWaalsContact C-N 3.32Å; R287-Y289 PolarHBondContact O-N 2.87Å; R287-R290 PolarHBondContact O-N 3.39Å; R287-S291 WeakPolarHBondContact O-CB 3.43Å; R287-S291 PolarHBondContact O-N 3.24Å; R287-D382 IonicContact CZ-OD2 3.46Å; R287-D382 IonicContact NH1-OD2 3.37Å; R287-D382 PolarHBondContact NH1-OD2 3.15Å
288F86.9Confident88.6Confident134 Ų13479.5 Ų79.559%0.58838%0.383SS*.Hα-helixtrans-60.9-43.3177.2-178.8-98.9000111.4R284 I285 R290 S291 Q292R284-F288 WeakPolarHBondContact O-CB 3.38Å; R284-F288 PolarHBondContact O-N 3.36Å; I285-F288 PolarHBondContact O-N 3.39Å; F288-R290 PolarHBondContact O-N 3.33Å; F288-S291 PolarHBondContact O-N 3.49Å; F288-S291 PolarHBondContact O-OG 2.74Å; F288-Q292 HydrophobicContact CE1-CG 4.38Å; F288-Q292 HydrophobicContact CZ-CG 4.47Å; F288-Q292 WeakPolarHBondContact O-CG 3.19Å; F288-Q292 PolarHBondContact O-N 3.39Å
289Y86.7Confident88.5Confident181 Ų18180.8 Ų80.871%0.7139%0.385SS*.Hα-helixtrans-61.6-42.7175.3-179-98.4000112.4I285 L286 R287 Q292I285-Y289 PolarHBondContact O-N 2.93Å; L286-Y289 PolarHBondContact O-N 2.98Å; R287-Y289 VanDerWaalsContact C-N 3.32Å; R287-Y289 PolarHBondContact O-N 2.87Å; Y289-Q292 PolarHBondContact O-N 2.92Å
290R83.9Confident88.4Confident63 Ų6379.4 Ų79.424%0.23838%0.38CS..Hα-helixtrans-64.6-38.3175.5-72.3170.272.4-179.312.1112.3L286 R287 F288 Q292 Q293 G383 P384L286-R290 WeakPolarHBondContact O-CG 3.4Å; L286-R290 PolarHBondContact O-N 2.81Å; R287-R290 PolarHBondContact O-N 3.39Å; F288-R290 PolarHBondContact O-N 3.33Å; R290-Q292 PolarHBondContact O-N 3.45Å; R290-Q293 VanDerWaalsContact O-CB 3.26Å; R290-Q293 WeakPolarHBondContact O-CB 3.32Å; R290-Q293 WeakPolarHBondContact O-CG 3.32Å; R290-Q293 PolarHBondContact O-N 2.87Å; R290-Q293 VanDerWaalsContact O-N 3.08Å; R290-Q293 PolarHBondContact O-OE1 3.05Å; R290-G383 PolarHBondContact NH2-O 3Å; R290-P384 PolarHBondContact NH2-O 3.14Å
291S82.2Confident88.2Confident7 Ų779.5 Ų79.55%0.04938%0.384CS..Hα-helixtrans-66.6-23.5-178.185.80000113.1R287 F288 Q293R287-S291 WeakPolarHBondContact O-CB 3.43Å; R287-S291 PolarHBondContact O-N 3.24Å; F288-S291 PolarHBondContact O-N 3.49Å; F288-S291 PolarHBondContact O-OG 2.74Å; S291-Q293 PolarHBondContact O-N 2.95Å
292Q82.1Confident88Confident88 Ų8879.2 Ų79.241%0.41138%0.382SS..THydrogen-bonded Turntrans-77.12.2174.9-63.7-55-49.900113.9F288 Y289 R290 K294F288-Q292 HydrophobicContact CE1-CG 4.38Å; F288-Q292 HydrophobicContact CZ-CG 4.47Å; F288-Q292 WeakPolarHBondContact O-CG 3.19Å; F288-Q292 PolarHBondContact O-N 3.39Å; Y289-Q292 PolarHBondContact O-N 2.92Å; R290-Q292 PolarHBondContact O-N 3.45Å; Q292-K294 PolarHBondContact O-N 3.1Å
293Q81.3Confident87.6Confident77 Ų7778 Ų7836%0.3637%0.37SS..SBendtrans-60.7132174-74.3177.8-35.800110.7R290 S291 V295R290-Q293 VanDerWaalsContact O-CB 3.26Å; R290-Q293 WeakPolarHBondContact O-CB 3.32Å; R290-Q293 WeakPolarHBondContact O-CG 3.32Å; R290-Q293 PolarHBondContact O-N 2.87Å; R290-Q293 VanDerWaalsContact O-N 3.08Å; R290-Q293 PolarHBondContact O-OE1 3.05Å; S291-Q293 PolarHBondContact O-N 2.95Å; Q293-V295 PolarHBondContact O-N 3.47Å
294K82.4Confident87.1Confident195 Ų19581.1 Ų81.185%0.84839%0.391SS*.  trans-74.5108.2177.2-68.7-172.8179.8-179.20109.5Q292Q292-K294 PolarHBondContact O-N 3.1Å
295V87.6Confident86.5Confident30 Ų3077.9 Ų77.918%0.18239%0.385CS..  trans-93.7126.8175.4-176.40000109.4Q293 M312 F351 V381Q293-V295 PolarHBondContact O-N 3.47Å; V295-M312 HydrophobicContact CG1-CB 3.78Å; V295-M312 HydrophobicContact CG1-CG 3.61Å; V295-M312 HydrophobicContact CG1-SD 3.59Å; V295-M312 VanDerWaalsContact CG1-SD 3.59Å; V295-F351 HydrophobicContact CG1-CZ 4.14Å; V295-V381 HydrophobicContact CG1-CG2 4.35Å; V295-V381 HydrophobicContact CG2-CB 3.89Å; V295-V381 HydrophobicContact CG2-CG2 3.76Å
296V90Very high86.2Confident86 Ų8679.2 Ų79.252%0.52139%0.387SS..  trans-107.2118.3176.6-178.20000108.3T298 M312 N313V296-T298 PolarHBondContact O-N 3.41Å; V296-M312 WeakPolarHBondContact O-CA 3.44Å; V296-N313 HydrophobicContact CB-CB 4.26Å; V296-N313 PolarHBondContact O-N 3.41Å
297I91.5Very high86.1Confident35 Ų3574.5 Ų74.518%0.17936%0.362CS..EExtended strand (participates in β ladder)trans-74.7121.4174.2-58.6172.8000107.8V300 Q311 M312 F369 I376 I379I297-V300 HydrophobicContact CG2-CG2 3.66Å; I297-Q311 CarbonylContact C-O 3.45Å; I297-Q311 WeakPolarHBondContact CA-O 3.33Å; I297-M312 HydrophobicContact CG1-CG 4.34Å; I297-F369 HydrophobicContact CD1-CE1 3.83Å; I297-F369 HydrophobicContact CD1-CZ 3.76Å; I297-I376 HydrophobicContact CD1-CG2 3.93Å; I297-I379 HydrophobicContact CD1-CG1 3.88Å
298T90.9Very high86.3Confident82 Ų8273.7 Ų73.750%0.50336%0.359SS..EExtended strand (participates in β ladder)trans-93-37.9179.552.80000111.7V296 Q311 N313V296-T298 PolarHBondContact O-N 3.41Å; T298-Q311 PolarHBondContact N-O 3.45Å; T298-Q311 WeakPolarHBondContact OG1-CB 3.48Å; T298-Q311 PolarHBondContact OG1-O 2.94Å; T298-Q311 VanDerWaalsContact OG1-O 3.1Å; T298-N313 HydrophobicContact CG2-CB 4.11Å
299K91.2Very high86.6Confident114 Ų11468.3 Ų68.350%0.49634%0.336SS..EExtended strand (participates in β ladder)trans-149.8142.6-177.3-164.3-178.9-179.4-175.10111V301 Q311K299-V301 HydrophobicContact CD-CG2 3.95Å; K299-V301 HydrophobicContact CG-CG2 3.96Å; K299-Q311 HydrophobicContact CB-CB 3.97Å; K299-Q311 HydrophobicContact CB-CG 4.17Å; K299-Q311 PolarHBondContact N-O 3.26Å; K299-Q311 PolarHBondContact O-N 2.9Å
300V91.6Very high86.9Confident55 Ų5559.7 Ų59.733%0.33330%0.302SS..EExtended strand (participates in β ladder)trans-122.4126.8173.9-178.80000107.6I297 L308 E309 L310 F369I297-V300 HydrophobicContact CG2-CG2 3.66Å; V300-L308 HydrophobicContact CG1-CD1 3.63Å; V300-E309 WeakPolarHBondContact CA-O 3.29Å; V300-L310 HydrophobicContact CB-CD2 4.47Å; V300-L310 HydrophobicContact CG1-CD2 4.11Å; V300-L310 HydrophobicContact CG2-CD2 3.93Å; V300-F369 HydrophobicContact CG1-CB 4.31Å; V300-F369 HydrophobicContact CG1-CD1 3.94Å; V300-F369 HydrophobicContact CG1-CG 4.44Å; V300-F369 HydrophobicContact CG2-CD1 3.92Å; V300-F369 HydrophobicContact CG2-CE1 4.04Å
301V89.6Confident87.4Confident34 Ų3458 Ų5821%0.20630%0.297CS..EExtended strand (participates in β ladder)trans-130.4131.7179.6-173.90000109.8K299 E309K299-V301 HydrophobicContact CD-CG2 3.95Å; K299-V301 HydrophobicContact CG-CG2 3.96Å; V301-E309 HydrophobicContact CB-CB 4.14Å; V301-E309 PolarHBondContact N-O 3.08Å; V301-E309 PolarHBondContact O-N 2.67Å
302M87.9Confident87.9Confident78 Ų7857.7 Ų57.738%0.38429%0.294SS..EExtended strand (participates in β ladder)trans-98.9117.5174.2-66.1-54.9-6000109.4L308 I366 E370M302-L308 HydrophobicContact SD-CB 4.16Å; M302-L308 HydrophobicContact SD-CD1 3.53Å; M302-L308 VanDerWaalsContact SD-CD1 3.53Å; M302-L308 HydrophobicContact SD-CG 4.45Å; M302-I366 HydrophobicContact CE-CG2 3.77Å; M302-E370 HydrophobicContact CE-CG 3.7Å; M302-E370 WeakPolarHBondContact CE-OE1 3.47Å; M302-E370 HydrophobicContact SD-CG 4.22Å
303H85.4Confident88.4Confident36 Ų3656 Ų5617%0.16729%0.288CS..EExtended strand (participates in β ladder)trans-98.3158178.2-69.1-74.1000111.4V307 E309 H354 W447H303-V307 HydrophobicContact CB-CB 4.04Å; H303-V307 HydrophobicContact CB-CG1 4.47Å; H303-V307 WeakPolarHBondContact CB-O 3.23Å; H303-V307 PolarHBondContact N-O 3.06Å; H303-V307 PolarHBondContact O-N 2.76Å; H303-E309 IonicContact CD2-OE2 3.96Å; H303-E309 IonicContact CE1-OE2 2.69Å; H303-E309 IonicContact NE2-OE2 2.76Å; H303-E309 PolarHBondContact NE2-OE2 3.43Å; H303-H354 AromaticContact NE2-NE2 3.76Å; H303-W447 HydrophobicContact CB-CB 4.03Å; H303-W447 WeakPolarHBondContact ND1-CB 3.19Å
304P80.9Confident88.7Confident72 Ų7254.2 Ų54.247%0.46828%0.279SS..THydrogen-bonded Turntrans-54.4160.5171.3-24.334.9000112.7K306 S446P304-K306 VanDerWaalsContact C-N 3.3Å; P304-K306 PolarHBondContact O-N 3.37Å; P304-S446 WeakPolarHBondContact CB-OG 3.48Å; P304-S446 WeakPolarHBondContact CG-OG 3.38Å
305S77.8Confident88.7Confident40 Ų4055.4 Ų55.428%0.2828%0.279SS..THydrogen-bonded Turntrans61.930.4-176-68.50000114.9E441S305-E441 PolarHBondContact OG-OE2 3.17Å
306K83.9Confident88.4Confident136 Ų13657.8 Ų57.859%0.59131%0.309SS*.THydrogen-bonded Turntrans55.853.7176.2-58.7-174.3177.9-175.90112.6P304 A357P304-K306 VanDerWaalsContact C-N 3.3Å; P304-K306 PolarHBondContact O-N 3.37Å; K306-A357 HydrophobicContact CB-CB 4.02Å; K306-A357 HydrophobicContact CD-CB 4.31Å; K306-A357 PolarHBondContact O-N 2.7Å
307V87.7Confident88.1Confident5 Ų554.6 Ų54.63%0.0329%0.288CS..EExtended strand (participates in β ladder)trans-112.9123.1175.4178.30000109H303 H354 I355 R356 I405H303-V307 HydrophobicContact CB-CB 4.04Å; H303-V307 HydrophobicContact CB-CG1 4.47Å; H303-V307 WeakPolarHBondContact CB-O 3.23Å; H303-V307 PolarHBondContact N-O 3.06Å; H303-V307 PolarHBondContact O-N 2.76Å; V307-H354 HydrophobicContact CG1-CB 4.09Å; V307-I355 CarbonylContact C-O 3.59Å; V307-I355 WeakPolarHBondContact CA-O 3.22Å; V307-R356 HydrophobicContact CG2-CB 4.19Å; V307-R356 HydrophobicContact CG2-CG 4.2Å; V307-I405 HydrophobicContact CG1-CD1 4.45Å
308L91.3Very high87.8Confident0 Ų057.5 Ų57.50%031%0.311CS..EExtended strand (participates in β ladder)trans-97123.7175.2167.969.5000109.1V300 M302 L310 H354 I355 L365 I366 F369V300-L308 HydrophobicContact CG1-CD1 3.63Å; M302-L308 HydrophobicContact SD-CB 4.16Å; M302-L308 HydrophobicContact SD-CD1 3.53Å; M302-L308 VanDerWaalsContact SD-CD1 3.53Å; M302-L308 HydrophobicContact SD-CG 4.45Å; L308-L310 HydrophobicContact CD1-CD2 3.87Å; L308-L310 HydrophobicContact CD1-CG 4.38Å; L308-L310 HydrophobicContact CD2-CD1 4.23Å; L308-L310 HydrophobicContact CD2-CD2 4.11Å; L308-L310 HydrophobicContact CD2-CG 4.1Å; L308-L310 HydrophobicContact CG-CD2 4.03Å; L308-L310 HydrophobicContact CG-CG 4.02Å; L308-H354 CarbonylContact O-C 3.54Å; L308-H354 WeakPolarHBondContact O-CA 3.28Å; L308-I355 HydrophobicContact CB-CB 4.45Å; L308-I355 PolarHBondContact N-O 2.74Å; L308-I355 PolarHBondContact O-N 3.47Å; L308-L365 HydrophobicContact CD2-CD2 4.22Å; L308-L365 HydrophobicContact CD2-CG 4.26Å; L308-I366 HydrophobicContact CB-CG1 3.84Å; L308-I366 HydrophobicContact CD2-CG1 4.25Å; L308-F369 HydrophobicContact CD1-CB 3.99Å; L308-F369 HydrophobicContact CD1-CG 4.33Å; L308-F369 HydrophobicContact CD2-CB 4.21Å; L308-F369 HydrophobicContact CD2-CD2 3.82Å; L308-F369 HydrophobicContact CD2-CG 4.16Å
309E92.2Very high87.7Confident20 Ų2053.9 Ų53.99%0.09329%0.289CS..EExtended strand (participates in β ladder)trans-99.7125.4168.2176-173.4-178.800109.6V300 V301 H303 Q311 I353 H354V300-E309 WeakPolarHBondContact CA-O 3.29Å; V301-E309 HydrophobicContact CB-CB 4.14Å; V301-E309 PolarHBondContact N-O 3.08Å; V301-E309 PolarHBondContact O-N 2.67Å; H303-E309 IonicContact CD2-OE2 3.96Å; H303-E309 IonicContact CE1-OE2 2.69Å; H303-E309 IonicContact NE2-OE2 2.76Å; H303-E309 PolarHBondContact NE2-OE2 3.43Å; E309-Q311 HydrophobicContact CG-CG 4.3Å; E309-Q311 PolarHBondContact OE1-NE2 3.02Å; E309-I353 WeakPolarHBondContact CA-O 3.31Å; E309-H354 IonicContact OE1-CE1 3.55Å; E309-H354 IonicContact OE2-NE2 3.88Å
310L93.8Very high87.5Confident0 Ų053.4 Ų53.40%029%0.288CS..EExtended strand (participates in β ladder)trans-112.9121.4172.5-62.7178.7000109V300 L308 M312 S352 I353 I355 F369V300-L310 HydrophobicContact CB-CD2 4.47Å; V300-L310 HydrophobicContact CG1-CD2 4.11Å; V300-L310 HydrophobicContact CG2-CD2 3.93Å; L308-L310 HydrophobicContact CD1-CD2 3.87Å; L308-L310 HydrophobicContact CD1-CG 4.38Å; L308-L310 HydrophobicContact CD2-CD1 4.23Å; L308-L310 HydrophobicContact CD2-CD2 4.11Å; L308-L310 HydrophobicContact CD2-CG 4.1Å; L308-L310 HydrophobicContact CG-CD2 4.03Å; L308-L310 HydrophobicContact CG-CG 4.02Å; L310-M312 HydrophobicContact CB-CE 4.2Å; L310-S352 WeakPolarHBondContact O-CA 3.03Å; L310-S352 WeakPolarHBondContact O-CB 3.5Å; L310-I353 HydrophobicContact CB-CG1 4.04Å; L310-I353 HydrophobicContact CD1-CD1 4.41Å; L310-I353 PolarHBondContact N-O 3.02Å; L310-I353 PolarHBondContact O-N 2.84Å; L310-I353 VanDerWaalsContact O-N 3.08Å; L310-I355 HydrophobicContact CD1-CD1 4.13Å; L310-F369 HydrophobicContact CD1-CE2 4.32Å; L310-F369 HydrophobicContact CD1-CZ 4.37Å; L310-F369 HydrophobicContact CD2-CD1 4.1Å; L310-F369 HydrophobicContact CD2-CE1 3.89Å; L310-F369 HydrophobicContact CD2-CE2 4.36Å; L310-F369 HydrophobicContact CD2-CG 4.41Å; L310-F369 HydrophobicContact CD2-CZ 4.04Å
311Q94.2Very high87.3Confident28 Ų2850.9 Ų50.913%0.13127%0.273CS..EExtended strand (participates in β ladder)trans-103.3132.7170.5-55.6-171.6-10.200109.5I297 T298 K299 E309 F350I297-Q311 CarbonylContact C-O 3.45Å; I297-Q311 WeakPolarHBondContact CA-O 3.33Å; T298-Q311 PolarHBondContact N-O 3.45Å; T298-Q311 WeakPolarHBondContact OG1-CB 3.48Å; T298-Q311 PolarHBondContact OG1-O 2.94Å; T298-Q311 VanDerWaalsContact OG1-O 3.1Å; K299-Q311 HydrophobicContact CB-CB 3.97Å; K299-Q311 HydrophobicContact CB-CG 4.17Å; K299-Q311 PolarHBondContact N-O 3.26Å; K299-Q311 PolarHBondContact O-N 2.9Å; E309-Q311 HydrophobicContact CG-CG 4.3Å; E309-Q311 PolarHBondContact OE1-NE2 3.02Å; Q311-F350 HydrophobicContact CB-CD2 4.01Å; Q311-F350 HydrophobicContact CG-CD2 4.07Å; Q311-F350 HydrophobicContact CG-CE2 4.07Å
312M93.6Very high87Confident0 Ų049.3 Ų49.30%026%0.263CS..EExtended strand (participates in β ladder)trans-130.9147.1-172.6-68.9162.8-80.500110.3V295 V296 I297 L310 K314 F350 F351 I353 I379 V381V295-M312 HydrophobicContact CG1-CB 3.78Å; V295-M312 HydrophobicContact CG1-CG 3.61Å; V295-M312 HydrophobicContact CG1-SD 3.59Å; V295-M312 VanDerWaalsContact CG1-SD 3.59Å; V296-M312 WeakPolarHBondContact O-CA 3.44Å; I297-M312 HydrophobicContact CG1-CG 4.34Å; L310-M312 HydrophobicContact CB-CE 4.2Å; M312-K314 PolarHBondContact O-N 3.33Å; M312-F350 WeakPolarHBondContact O-CA 3.48Å; M312-F350 WeakPolarHBondContact O-CB 3.3Å; M312-F351 HydrophobicContact CB-CD1 4.24Å; M312-F351 HydrophobicContact CB-CD2 4.12Å; M312-F351 HydrophobicContact CB-CE1 3.8Å; M312-F351 HydrophobicContact CB-CE2 3.65Å; M312-F351 HydrophobicContact CB-CG 4.4Å; M312-F351 HydrophobicContact CB-CZ 3.48Å; M312-F351 VanDerWaalsContact CB-CZ 3.48Å; M312-F351 HydrophobicContact CE-CD2 3.83Å; M312-F351 HydrophobicContact CE-CE2 3.5Å; M312-F351 VanDerWaalsContact CE-CE2 3.5Å; M312-F351 HydrophobicContact CE-CZ 4.43Å; M312-F351 HydrophobicContact CG-CE2 4.23Å; M312-F351 HydrophobicContact CG-CZ 4.31Å; M312-F351 PolarHBondContact N-O 2.7Å; M312-F351 PolarHBondContact O-N 3.41Å; M312-F351 HydrophobicContact SD-CD2 4.45Å; M312-F351 HydrophobicContact SD-CE2 3.59Å; M312-F351 VanDerWaalsContact SD-CE2 3.59Å; M312-F351 HydrophobicContact SD-CZ 4Å; M312-I353 HydrophobicContact CE-CD1 3.93Å; M312-I353 HydrophobicContact CE-CG1 3.81Å; M312-I353 HydrophobicContact CE-CG2 4.43Å; M312-I379 HydrophobicContact SD-CG2 4.46Å; M312-V381 HydrophobicContact SD-CG2 4.3Å
313N92.4Very high87Confident52 Ų5246.6 Ų46.628%0.27825%0.25SC..EExtended strand (participates in β ladder)trans-68.6130180-173-10.1000111.4V296 T298 R315 F351V296-N313 HydrophobicContact CB-CB 4.26Å; V296-N313 PolarHBondContact O-N 3.41Å; T298-N313 HydrophobicContact CG2-CB 4.11Å; N313-R315 WeakPolarHBondContact OD1-CG 3.48Å; N313-R315 PolarHBondContact OD1-N 2.89Å; N313-R315 VanDerWaalsContact OD1-N 3.15Å; N313-F351 VanDerWaalsContact O-CE1 3.25Å; N313-F351 WeakPolarHBondContact O-CE1 3.4Å
314K87.4Confident87.2Confident40 Ų4046.3 Ų46.317%0.17425%0.248CC..  trans-85.91-175.4-166.8177.9170.8-160.30115.4M312 G316 F317 P346 E348 D349 F351M312-K314 PolarHBondContact O-N 3.33Å; K314-G316 PolarHBondContact O-N 3.29Å; K314-F317 HydrophobicContact CG-CB 4.34Å; K314-F317 HydrophobicContact CG-CD1 4.33Å; K314-F317 WeakPolarHBondContact CG-O 3.48Å; K314-F317 WeakPolarHBondContact O-CB 3.44Å; K314-F317 PolarHBondContact O-N 3.5Å; K314-P346 PolarHBondContact NZ-O 3.1Å; K314-E348 WeakPolarHBondContact CD-O 3.38Å; K314-E348 PolarHBondContact NZ-O 3.39Å; K314-D349 WeakPolarHBondContact CB-O 3.49Å; K314-F351 HydrophobicContact CB-CD1 4.14Å; K314-F351 HydrophobicContact CG-CD1 4.39Å
315R82.4Confident87.7Confident221 Ų22142.9 Ų42.983%0.83423%0.225SC*.THydrogen-bonded Turntrans-51.6115.6-178.3-77.3177.8-173.5-172.40.7112.4N313 F317N313-R315 WeakPolarHBondContact OD1-CG 3.48Å; N313-R315 PolarHBondContact OD1-N 2.89Å; N313-R315 VanDerWaalsContact OD1-N 3.15Å; R315-F317 VanDerWaalsContact C-N 3.32Å
316G80.3Confident88.4Confident79 Ų7941.9 Ų41.981%0.81422%0.216SC*.THydrogen-bonded Turntrans78.910-179.600000115.1K314K314-G316 PolarHBondContact O-N 3.29Å
317F84.5Confident88.8Confident20 Ų2035.4 Ų35.49%0.08819%0.188CC..  trans-116.6114.3179.3-175-99.4000110.1K314 R315 M319 I325 L342 F351 V381 G383 P384K314-F317 HydrophobicContact CG-CB 4.34Å; K314-F317 HydrophobicContact CG-CD1 4.33Å; K314-F317 WeakPolarHBondContact CG-O 3.48Å; K314-F317 WeakPolarHBondContact O-CB 3.44Å; K314-F317 PolarHBondContact O-N 3.5Å; R315-F317 VanDerWaalsContact C-N 3.32Å; F317-M319 HydrophobicContact CD1-CB 4.32Å; F317-M319 HydrophobicContact CE1-CB 3.74Å; F317-M319 HydrophobicContact CE1-CG 4.33Å; F317-M319 HydrophobicContact CE1-SD 4.04Å; F317-M319 HydrophobicContact CZ-CB 4.47Å; F317-I325 HydrophobicContact CE2-CG2 4.26Å; F317-I325 HydrophobicContact CZ-CG2 3.68Å; F317-L342 HydrophobicContact CE1-CD1 4.16Å; F317-L342 HydrophobicContact CZ-CD1 4.23Å; F317-F351 HydrophobicContact CB-CE1 4.43Å; F317-F351 HydrophobicContact CD1-CB 4.41Å; F317-F351 AromaticContact CD1-CD1 3.68Å; F317-F351 HydrophobicContact CD1-CD1 3.68Å; F317-F351 HydrophobicContact CD1-CE1 4.03Å; F317-F351 HydrophobicContact CD1-CG 4.03Å; F317-F351 HydrophobicContact CE1-CB 4.26Å; F317-F351 HydrophobicContact CE1-CD1 4.08Å; F317-F351 HydrophobicContact CE1-CD2 4.29Å; F317-F351 HydrophobicContact CE1-CE1 4.48Å; F317-F351 AromaticContact CE1-CG 3.97Å; F317-F351 HydrophobicContact CE1-CG 3.97Å; F317-F351 HydrophobicContact CG-CD1 4.28Å; F317-F351 HydrophobicContact CG-CE1 4.2Å; F317-V381 HydrophobicContact CE2-CG1 4.48Å; F317-G383 WeakPolarHBondContact CE2-O 3.33Å; F317-P384 HydrophobicContact CZ-CB 4.09Å; F317-P384 HydrophobicContact CZ-CG 4.29Å
318S85.1Confident89Confident95 Ų9535.2 Ų35.266%0.66419%0.187SC*.  trans-101.5134.2173.8-170.50000109.1P384S318-P384 WeakPolarHBondContact O-CD 3.29Å; S318-P384 WeakPolarHBondContact O-CG 3.49Å
319M88.1Confident89Confident6 Ų635.2 Ų35.23%0.0319%0.187CC..  trans-138.2153.1-18070.6-172-174.700111.3F317 L342 S344 A345 P346 F351F317-M319 HydrophobicContact CD1-CB 4.32Å; F317-M319 HydrophobicContact CE1-CB 3.74Å; F317-M319 HydrophobicContact CE1-CG 4.33Å; F317-M319 HydrophobicContact CE1-SD 4.04Å; F317-M319 HydrophobicContact CZ-CB 4.47Å; M319-L342 HydrophobicContact CB-CD1 3.72Å; M319-L342 HydrophobicContact CG-CD1 4.28Å; M319-L342 HydrophobicContact SD-CB 4.44Å; M319-L342 HydrophobicContact SD-CD1 3.81Å; M319-L342 HydrophobicContact SD-CD2 4.43Å; M319-L342 HydrophobicContact SD-CG 4.46Å; M319-S344 WeakPolarHBondContact CE-OG 3.3Å; M319-A345 VanDerWaalsContact CE-C 3.4Å; M319-A345 WeakPolarHBondContact CE-O 3.48Å; M319-P346 WeakPolarHBondContact O-CB 3.48Å; M319-P346 WeakPolarHBondContact O-CG 3.22Å; M319-F351 HydrophobicContact CE-CB 4.06Å; M319-F351 HydrophobicContact SD-CB 3.54Å; M319-F351 VanDerWaalsContact SD-CB 3.54Å
320E87Confident88.9Confident105 Ų10536.7 Ų36.749%0.49120%0.198SC..  trans-111.6165172.4-67.1-65.9156.800111.1G322 Q323 E390E320-G322 PolarHBondContact O-N 3.43Å; E320-Q323 HydrophobicContact CB-CG 3.94Å; E320-Q323 WeakPolarHBondContact O-CB 3.41Å; E320-Q323 WeakPolarHBondContact O-CG 3.35Å; E320-Q323 PolarHBondContact O-N 2.96Å; E320-E390 HydrophobicContact CB-CG 4.35Å
321V87.7Confident88.6Confident2 Ų240.7 Ų40.71%0.01223%0.226CC..THydrogen-bonded Turntrans-60.6136.9-178.4-66.80000112.4Q323 P346 F393 I413V321-Q323 PolarHBondContact O-N 2.84Å; V321-Q323 VanDerWaalsContact O-N 3.14Å; V321-P346 HydrophobicContact CG1-CG 3.8Å; V321-F393 HydrophobicContact CB-CE2 4.31Å; V321-F393 HydrophobicContact CG1-CE2 3.92Å; V321-F393 HydrophobicContact CG1-CZ 4.17Å; V321-F393 HydrophobicContact CG2-CD2 4.14Å; V321-F393 HydrophobicContact CG2-CE2 3.46Å; V321-F393 VanDerWaalsContact CG2-CE2 3.46Å; V321-F393 HydrophobicContact CG2-CZ 4.1Å; V321-I413 HydrophobicContact CB-CG1 4Å; V321-I413 HydrophobicContact CG2-CG1 4.23Å
322G83.6Confident88.3Confident0 Ų041.8 Ų41.80%023%0.232CC..THydrogen-bonded Turntrans70.82.4176.400000115E320 T387E320-G322 PolarHBondContact O-N 3.43Å; G322-T387 VanDerWaalsContact C-OG1 3.24Å; G322-T387 VanDerWaalsContact O-CG2 3.27Å; G322-T387 WeakPolarHBondContact O-CG2 3.25Å; G322-T387 PolarHBondContact O-OG1 3.16Å
323Q88.4Confident88.1Confident22 Ų2242.5 Ų42.510%0.10324%0.237CC..  trans-65162.6171.6-70.2-167.9-35.500111.6E320 V321 L342 P384 F385 E390E320-Q323 HydrophobicContact CB-CG 3.94Å; E320-Q323 WeakPolarHBondContact O-CB 3.41Å; E320-Q323 WeakPolarHBondContact O-CG 3.35Å; E320-Q323 PolarHBondContact O-N 2.96Å; V321-Q323 PolarHBondContact O-N 2.84Å; V321-Q323 VanDerWaalsContact O-N 3.14Å; Q323-L342 HydrophobicContact CB-CD1 4.14Å; Q323-L342 WeakPolarHBondContact O-CB 3.43Å; Q323-L342 PolarHBondContact O-N 3.3Å; Q323-P384 HydrophobicContact CB-CB 4.04Å; Q323-P384 VanDerWaalsContact OE1-CG 3.23Å; Q323-F385 WeakPolarHBondContact CA-O 3.27Å; Q323-F385 WeakPolarHBondContact CB-O 3.5Å; Q323-E390 HydrophobicContact CG-CG 4.23Å; Q323-E390 VanDerWaalsContact CG-OE1 3.22Å; Q323-E390 WeakPolarHBondContact CG-OE1 3.25Å; Q323-E390 PolarHBondContact NE2-OE1 2.77Å
324Y89.4Confident87.8Confident30 Ų3044.4 Ų44.412%0.11825%0.252CS..EExtended strand (participates in β ladder)trans-131.3161.1178.674.7-76.1000111.5F326 P339 F340 P384 F385 T387 F564Y324-F326 HydrophobicContact CD2-CE2 4.3Å; Y324-F326 HydrophobicContact CE2-CD2 4.12Å; Y324-F326 AromaticContact CE2-CE2 3.45Å; Y324-F326 HydrophobicContact CE2-CE2 3.45Å; Y324-F326 VanDerWaalsContact CE2-CE2 3.45Å; Y324-F326 AromaticContact CE2-CZ 3.95Å; Y324-F326 HydrophobicContact CE2-CZ 3.95Å; Y324-P339 HydrophobicContact CD2-CB 3.82Å; Y324-P339 HydrophobicContact CE2-CB 3.98Å; Y324-F340 CarbonylContact C-O 3.59Å; Y324-F340 WeakPolarHBondContact CA-O 3.17Å; Y324-F340 WeakPolarHBondContact CB-O 3.36Å; Y324-P384 WeakPolarHBondContact O-CA 3.4Å; Y324-F385 HydrophobicContact CD1-CB 3.89Å; Y324-F385 WeakPolarHBondContact CD1-O 3.32Å; Y324-F385 HydrophobicContact CE1-CB 3.43Å; Y324-F385 VanDerWaalsContact CE1-CB 3.43Å; Y324-F385 HydrophobicContact CE2-CB 4.25Å; Y324-F385 HydrophobicContact CE2-CD2 4.33Å; Y324-F385 HydrophobicContact CG-CB 4.49Å; Y324-F385 PolarHBondContact N-O 2.7Å; Y324-F385 PolarHBondContact O-N 2.82Å; Y324-T387 HydrophobicContact CD1-CG2 3.46Å; Y324-T387 VanDerWaalsContact CD1-CG2 3.46Å; Y324-T387 HydrophobicContact CE1-CG2 3.92Å; Y324-F564 HydrophobicContact CD1-CD1 4.39Å; Y324-F564 AromaticContact CD1-CE1 3.63Å; Y324-F564 HydrophobicContact CD1-CE1 3.63Å; Y324-F564 HydrophobicContact CD2-CD1 4.5Å; Y324-F564 HydrophobicContact CD2-CE1 4.45Å; Y324-F564 HydrophobicContact CE1-CE1 4.34Å; Y324-F564 HydrophobicContact CG-CD1 4.14Å; Y324-F564 AromaticContact CG-CE1 3.68Å; Y324-F564 HydrophobicContact CG-CE1 3.68Å
325I91.5Very high87.6Confident0 Ų047.5 Ų47.50%027%0.27CS..EExtended strand (participates in β ladder)trans-124.3156.3177.356.5169.7000109.8F317 V327 P339 F340 L342 F351 I353 V381 D382F317-I325 HydrophobicContact CE2-CG2 4.26Å; F317-I325 HydrophobicContact CZ-CG2 3.68Å; I325-V327 HydrophobicContact CD1-CG2 3.79Å; I325-V327 HydrophobicContact CG1-CG2 4.01Å; I325-P339 CarbonylContact O-C 3.59Å; I325-P339 VanDerWaalsContact O-CA 3.31Å; I325-P339 WeakPolarHBondContact O-CA 3.48Å; I325-F340 PolarHBondContact N-O 3.48Å; I325-F340 PolarHBondContact O-N 2.84Å; I325-L342 HydrophobicContact CD1-CD2 4Å; I325-L342 HydrophobicContact CG1-CD2 4.07Å; I325-L342 HydrophobicContact CG2-CD1 4.13Å; I325-L342 HydrophobicContact CG2-CD2 3.95Å; I325-L342 HydrophobicContact CG2-CG 4.19Å; I325-F351 HydrophobicContact CD1-CD2 4.39Å; I325-F351 HydrophobicContact CD1-CE2 4.04Å; I325-I353 HydrophobicContact CD1-CG2 3.79Å; I325-I353 HydrophobicContact CG1-CG2 4.04Å; I325-V381 HydrophobicContact CB-CG1 3.94Å; I325-V381 HydrophobicContact CD1-CG1 3.78Å; I325-V381 HydrophobicContact CD1-CG2 4.12Å; I325-V381 HydrophobicContact CG1-CG1 4.45Å; I325-V381 HydrophobicContact CG2-CG1 3.99Å; I325-D382 CarbonylContact C-O 3.48Å; I325-D382 WeakPolarHBondContact CA-O 3.42Å
326F91.6Very high87.7Confident19 Ų1938.8 Ų38.88%0.08324%0.239CC..EExtended strand (participates in β ladder)trans-94.5136163.3-77.8-92.7000109.2Y324 W337 H338 P339 V381 D382 F385Y324-F326 HydrophobicContact CD2-CE2 4.3Å; Y324-F326 HydrophobicContact CE2-CD2 4.12Å; Y324-F326 AromaticContact CE2-CE2 3.45Å; Y324-F326 HydrophobicContact CE2-CE2 3.45Å; Y324-F326 VanDerWaalsContact CE2-CE2 3.45Å; Y324-F326 AromaticContact CE2-CZ 3.95Å; Y324-F326 HydrophobicContact CE2-CZ 3.95Å; F326-W337 HydrophobicContact CB-CB 4.28Å; F326-W337 HydrophobicContact CB-CE3 3.91Å; F326-W337 HydrophobicContact CD1-CB 3.97Å; F326-H338 CarbonylContact C-O 3.13Å; F326-H338 WeakPolarHBondContact CA-O 3.32Å; F326-P339 HydrophobicContact CD1-CB 4.17Å; F326-P339 HydrophobicContact CE1-CB 3.79Å; F326-P339 HydrophobicContact CE1-CG 4.08Å; F326-P339 HydrophobicContact CE2-CB 4.47Å; F326-P339 HydrophobicContact CZ-CB 3.94Å; F326-P339 HydrophobicContact CZ-CG 4.47Å; F326-V381 CarbonylContact O-C 3.46Å; F326-V381 WeakPolarHBondContact O-CA 3.18Å; F326-D382 HydrophobicContact CB-CB 4.21Å; F326-D382 PolarHBondContact N-O 3.31Å; F326-D382 PolarHBondContact O-N 2.79Å; F326-F385 AromaticContact CD2-CD2 3.77Å; F326-F385 HydrophobicContact CD2-CD2 3.77Å; F326-F385 AromaticContact CD2-CE2 3.57Å; F326-F385 HydrophobicContact CD2-CE2 3.57Å; F326-F385 HydrophobicContact CE2-CD2 4.03Å; F326-F385 HydrophobicContact CE2-CE2 4.09Å
327V92.3Very high88.1Confident0 Ų038.8 Ų38.80%021%0.214CC..EExtended strand (participates in β ladder)trans-119.2132.7-178179.60000108.6I325 H338 F340 I353 W361 I379 E380I325-V327 HydrophobicContact CD1-CG2 3.79Å; I325-V327 HydrophobicContact CG1-CG2 4.01Å; V327-H338 PolarHBondContact N-O 2.9Å; V327-H338 PolarHBondContact O-N 2.99Å; V327-F340 HydrophobicContact CB-CD2 3.85Å; V327-F340 HydrophobicContact CB-CE2 4.09Å; V327-F340 HydrophobicContact CG2-CD2 3.73Å; V327-F340 HydrophobicContact CG2-CE2 4.45Å; V327-I353 HydrophobicContact CG2-CD1 3.71Å; V327-W361 HydrophobicContact CG1-CH2 4.22Å; V327-I379 HydrophobicContact CG1-CD1 4.35Å; V327-I379 HydrophobicContact CG1-CG2 3.61Å; V327-E380 WeakPolarHBondContact CA-O 3.15Å
328N92.8Very high88.3Confident1 Ų139.7 Ų39.71%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-120.3144.2169.2175.7-86.3000109.8P330 S333 E336 W337 E380N328-P330 WeakPolarHBondContact OD1-CD 3.28Å; N328-P330 WeakPolarHBondContact OD1-CG 3.31Å; N328-S333 PolarHBondContact ND2-O 3.45Å; N328-E336 PolarHBondContact ND2-O 3.32Å; N328-W337 HydrophobicContact CB-CD2 3.59Å; N328-W337 HydrophobicContact CB-CE3 3.6Å; N328-W337 HydrophobicContact CB-CG 4.27Å; N328-W337 HydrophobicContact CB-CH2 3.58Å; N328-W337 HydrophobicContact CB-CZ2 3.58Å; N328-W337 HydrophobicContact CB-CZ3 3.61Å; N328-E380 HydrophobicContact CB-CB 4.34Å; N328-E380 PolarHBondContact N-O 3.12Å; N328-E380 PolarHBondContact O-N 3.05Å
329C91.1Very high88.5Confident0 Ų037.3 Ų37.30%020%0.201CC..EExtended strand (participates in β ladder)trans-126.397.3174.2-171.20000107.8S331 I332 S333 W361 L365 I379C329-S331 PolarHBondContact O-N 3.34Å; C329-S331 VanDerWaalsContact O-N 3.08Å; C329-S331 PolarHBondContact SG-OG 3.35Å; C329-I332 HydrophobicContact CB-CB 4.5Å; C329-I332 HydrophobicContact CB-CD1 3.94Å; C329-I332 HydrophobicContact CB-CG1 4.3Å; C329-I332 PolarHBondContact O-N 3.17Å; C329-S333 PolarHBondContact O-N 3.28Å; C329-S333 VanDerWaalsContact O-N 3.1Å; C329-W361 HydrophobicContact CB-CZ2 3.93Å; C329-L365 HydrophobicContact CB-CD1 3.81Å; C329-I379 HydrophobicContact CB-CD1 3.84Å
330P89.7Confident88.7Confident50 Ų5038.3 Ų38.333%0.32521%0.205SC..THydrogen-bonded Turntrans-59.7-24.4-173-26.934.3000114.6N328 I332 R378 E380N328-P330 WeakPolarHBondContact OD1-CD 3.28Å; N328-P330 WeakPolarHBondContact OD1-CG 3.31Å; P330-I332 PolarHBondContact O-N 3.49Å; P330-R378 WeakPolarHBondContact CD-O 3.31Å; P330-E380 HydrophobicContact CG-CG 4.24Å
331S88.3Confident88.9Confident85 Ų8533.8 Ų33.859%0.59419%0.185SC*.THydrogen-bonded Turntrans-69.4-19.4175.6570000113.9C329C329-S331 PolarHBondContact O-N 3.34Å; C329-S331 VanDerWaalsContact O-N 3.08Å; C329-S331 PolarHBondContact SG-OG 3.35Å
332I87.9Confident89.1Confident50 Ų5033.7 Ų33.726%0.25618%0.184SC..THydrogen-bonded Turntrans-101.7-55.6179-58.5170.7000109.3C329 P330 W361 N364 L365C329-I332 HydrophobicContact CB-CB 4.5Å; C329-I332 HydrophobicContact CB-CD1 3.94Å; C329-I332 HydrophobicContact CB-CG1 4.3Å; C329-I332 PolarHBondContact O-N 3.17Å; P330-I332 PolarHBondContact O-N 3.49Å; I332-W361 HydrophobicContact CG2-CG 4.37Å; I332-N364 HydrophobicContact CD1-CB 4.48Å; I332-N364 HydrophobicContact CG2-CB 4Å; I332-L365 HydrophobicContact CD1-CB 3.63Å; I332-L365 HydrophobicContact CD1-CD1 3.53Å; I332-L365 HydrophobicContact CD1-CG 4.21Å
333S88Confident89.5Confident15 Ų1533.8 Ų33.811%0.10519%0.185CC..EExtended strand (participates in β ladder)trans-153120.7179.5179.80000109.5N328 C329 L335 E336N328-S333 PolarHBondContact ND2-O 3.45Å; C329-S333 PolarHBondContact O-N 3.28Å; C329-S333 VanDerWaalsContact O-N 3.1Å; S333-L335 VanDerWaalsContact C-N 3.28Å; S333-L335 PolarHBondContact O-N 2.89Å; S333-E336 WeakPolarHBondContact CB-OE1 3.45Å; S333-E336 WeakPolarHBondContact OG-CB 3.44Å; S333-E336 VanDerWaalsContact OG-CD 3.24Å; S333-E336 VanDerWaalsContact OG-CG 3.3Å; S333-E336 WeakPolarHBondContact OG-CG 3.41Å; S333-E336 PolarHBondContact OG-OE1 3.1Å
334P85.7Confident89.6Confident93 Ų9332.7 Ų32.760%0.60418%0.18SC*.EExtended strand (participates in β ladder)trans-74.8-15.9-176.329-34.2000113.6
335L83.4Confident89.7Confident105 Ų10531.3 Ų31.355%0.5517%0.174SC..EExtended strand (participates in β ladder)trans-109.6-17.9-174.3-62.6178.7000113.6S333S333-L335 VanDerWaalsContact C-N 3.28Å; S333-L335 PolarHBondContact O-N 2.89Å
336E85.6Confident89.6Confident37 Ų3732.5 Ų32.517%0.17318%0.182CC..EExtended strand (participates in β ladder)trans-85.4123.6-175.6-76.8169.9-125.600112.8N328 S333 H338N328-E336 PolarHBondContact ND2-O 3.32Å; S333-E336 WeakPolarHBondContact CB-OE1 3.45Å; S333-E336 WeakPolarHBondContact OG-CB 3.44Å; S333-E336 VanDerWaalsContact OG-CD 3.24Å; S333-E336 VanDerWaalsContact OG-CG 3.3Å; S333-E336 WeakPolarHBondContact OG-CG 3.41Å; S333-E336 PolarHBondContact OG-OE1 3.1Å; E336-H338 IonicContact OE2-CE1 3.88Å; E336-H338 IonicContact OE2-NE2 3.72Å; E336-H338 PolarHBondContact OE2-NE2 2.7Å
337W88.1Confident89.6Confident80 Ų8034.9 Ų34.930%0.30319%0.193SC..EExtended strand (participates in β ladder)trans-114.9119.7175.9-70.581.9000109.4F326 N328 E380 D382F326-W337 HydrophobicContact CB-CB 4.28Å; F326-W337 HydrophobicContact CB-CE3 3.91Å; F326-W337 HydrophobicContact CD1-CB 3.97Å; N328-W337 HydrophobicContact CB-CD2 3.59Å; N328-W337 HydrophobicContact CB-CE3 3.6Å; N328-W337 HydrophobicContact CB-CG 4.27Å; N328-W337 HydrophobicContact CB-CH2 3.58Å; N328-W337 HydrophobicContact CB-CZ2 3.58Å; N328-W337 HydrophobicContact CB-CZ3 3.61Å; W337-E380 HydrophobicContact CH2-CB 3.63Å; W337-E380 HydrophobicContact CZ3-CB 4.23Å; W337-D382 HydrophobicContact CE3-CB 4.26Å; W337-D382 HydrophobicContact CZ3-CB 4.05Å
338H88.1Confident89.5Confident39 Ų3935.9 Ų35.918%0.18120%0.198CC..EExtended strand (participates in β ladder)trans-110.9132-175.9-69.5-88.7000111.3F326 V327 E336 F340 W361F326-H338 CarbonylContact C-O 3.13Å; F326-H338 WeakPolarHBondContact CA-O 3.32Å; V327-H338 PolarHBondContact N-O 2.9Å; V327-H338 PolarHBondContact O-N 2.99Å; E336-H338 IonicContact OE2-CE1 3.88Å; E336-H338 IonicContact OE2-NE2 3.72Å; E336-H338 PolarHBondContact OE2-NE2 2.7Å; H338-F340 HydrophobicContact CB-CE2 3.61Å; H338-F340 HydrophobicContact CB-CZ 3.9Å; H338-F340 WeakPolarHBondContact O-CD2 3.45Å; H338-W361 HydrophobicContact CB-CE3 4.14Å; H338-W361 HydrophobicContact CB-CH2 4.29Å; H338-W361 HydrophobicContact CB-CZ3 4Å; H338-W361 AromaticContact CD2-CD1 3.74Å; H338-W361 AromaticContact CD2-CD2 3.19Å; H338-W361 AromaticContact CD2-CE2 3.38Å; H338-W361 AromaticContact CD2-CE3 3.57Å; H338-W361 AromaticContact CD2-CG 3.47Å; H338-W361 VanDerWaalsContact CD2-CG 3.47Å; H338-W361 AromaticContact CD2-CZ2 3.92Å; H338-W361 AromaticContact CD2-NE1 3.68Å; H338-W361 AromaticContact CE1-CG 3.95Å; H338-W361 AromaticContact CG-CD2 3.88Å; H338-W361 AromaticContact CG-CE3 3.77Å; H338-W361 WeakPolarHBondContact NE2-CB 3.36Å; H338-W361 AromaticContact NE2-CD1 3.43Å; H338-W361 AromaticContact NE2-CD2 3.46Å; H338-W361 AromaticContact NE2-CE2 3.92Å; H338-W361 AromaticContact NE2-CG 3.15Å; H338-W361 AromaticContact NE2-NE1 3.86Å
339P90.1Very high89.4Confident45 Ų4542.9 Ų42.929%0.29224%0.235SC..EExtended strand (participates in β ladder)trans-81132.6-178.231.2-32.5000112.2Y324 I325 F326Y324-P339 HydrophobicContact CD2-CB 3.82Å; Y324-P339 HydrophobicContact CE2-CB 3.98Å; I325-P339 CarbonylContact O-C 3.59Å; I325-P339 VanDerWaalsContact O-CA 3.31Å; I325-P339 WeakPolarHBondContact O-CA 3.48Å; F326-P339 HydrophobicContact CD1-CB 4.17Å; F326-P339 HydrophobicContact CE1-CB 3.79Å; F326-P339 HydrophobicContact CE1-CG 4.08Å; F326-P339 HydrophobicContact CE2-CB 4.47Å; F326-P339 HydrophobicContact CZ-CB 3.94Å; F326-P339 HydrophobicContact CZ-CG 4.47Å
340F91.4Very high89.5Confident27 Ų2745.2 Ų45.212%0.11825%0.246CC..EExtended strand (participates in β ladder)trans-134.9134.5173.7-61.8-73.2000111.4Y324 I325 V327 H338 I353 I355 W361 T362Y324-F340 CarbonylContact C-O 3.59Å; Y324-F340 WeakPolarHBondContact CA-O 3.17Å; Y324-F340 WeakPolarHBondContact CB-O 3.36Å; I325-F340 PolarHBondContact N-O 3.48Å; I325-F340 PolarHBondContact O-N 2.84Å; V327-F340 HydrophobicContact CB-CD2 3.85Å; V327-F340 HydrophobicContact CB-CE2 4.09Å; V327-F340 HydrophobicContact CG2-CD2 3.73Å; V327-F340 HydrophobicContact CG2-CE2 4.45Å; H338-F340 HydrophobicContact CB-CE2 3.61Å; H338-F340 HydrophobicContact CB-CZ 3.9Å; H338-F340 WeakPolarHBondContact O-CD2 3.45Å; F340-I353 HydrophobicContact CB-CB 4.11Å; F340-I353 HydrophobicContact CB-CD1 4.28Å; F340-I353 HydrophobicContact CB-CG2 4.03Å; F340-I353 HydrophobicContact CD2-CD1 4.33Å; F340-I353 HydrophobicContact CG-CD1 4.43Å; F340-I355 HydrophobicContact CD1-CG1 3.84Å; F340-I355 HydrophobicContact CD2-CD1 4.36Å; F340-I355 HydrophobicContact CD2-CG1 4.44Å; F340-I355 HydrophobicContact CE1-CB 4.18Å; F340-I355 HydrophobicContact CE1-CD1 4.39Å; F340-I355 HydrophobicContact CE1-CG1 3.83Å; F340-I355 HydrophobicContact CE1-CG2 3.72Å; F340-I355 HydrophobicContact CE2-CD1 4.15Å; F340-I355 HydrophobicContact CE2-CG1 4.41Å; F340-I355 HydrophobicContact CG-CG1 4.16Å; F340-I355 HydrophobicContact CZ-CD1 4.18Å; F340-I355 HydrophobicContact CZ-CG1 4.13Å; F340-I355 HydrophobicContact CZ-CG2 3.92Å; F340-W361 HydrophobicContact CE2-CH2 4.04Å; F340-W361 AromaticContact CE2-CZ3 3.66Å; F340-W361 HydrophobicContact CE2-CZ3 3.66Å; F340-W361 HydrophobicContact CZ-CE3 4.43Å; F340-W361 HydrophobicContact CZ-CH2 4.49Å; F340-W361 AromaticContact CZ-CZ3 3.67Å; F340-W361 HydrophobicContact CZ-CZ3 3.67Å; F340-T362 HydrophobicContact CE1-CG2 4.49Å; F340-T362 HydrophobicContact CZ-CG2 4.17Å
341T91.3Very high89.7Confident9 Ų943.1 Ų43.16%0.05523%0.231CC..EExtended strand (participates in β ladder)trans-72.2137.8176.9-47.70000110.8T343 P409 F564T341-T343 PolarHBondContact O-N 3.23Å; T341-P409 HydrophobicContact CG2-CB 3.75Å; T341-P409 HydrophobicContact CG2-CG 4.37Å; T341-F564 HydrophobicContact CG2-CE2 4.44Å; T341-F564 HydrophobicContact CG2-CZ 4.23Å; T341-F564 WeakPolarHBondContact OG1-CE2 3.09Å
342L92.2Very high90Very high0 Ų039.1 Ų39.10%020%0.203CC..BIsolated β-bridgetrans-71.2121.2173.8-63.8168.2000108.9F317 M319 Q323 I325 F351 S352 I353 P384 S412F317-L342 HydrophobicContact CE1-CD1 4.16Å; F317-L342 HydrophobicContact CZ-CD1 4.23Å; M319-L342 HydrophobicContact CB-CD1 3.72Å; M319-L342 HydrophobicContact CG-CD1 4.28Å; M319-L342 HydrophobicContact SD-CB 4.44Å; M319-L342 HydrophobicContact SD-CD1 3.81Å; M319-L342 HydrophobicContact SD-CD2 4.43Å; M319-L342 HydrophobicContact SD-CG 4.46Å; Q323-L342 HydrophobicContact CB-CD1 4.14Å; Q323-L342 WeakPolarHBondContact O-CB 3.43Å; Q323-L342 PolarHBondContact O-N 3.3Å; I325-L342 HydrophobicContact CD1-CD2 4Å; I325-L342 HydrophobicContact CG1-CD2 4.07Å; I325-L342 HydrophobicContact CG2-CD1 4.13Å; I325-L342 HydrophobicContact CG2-CD2 3.95Å; I325-L342 HydrophobicContact CG2-CG 4.19Å; L342-F351 HydrophobicContact CD2-CB 4.25Å; L342-F351 HydrophobicContact CD2-CD2 3.85Å; L342-F351 HydrophobicContact CD2-CG 4.45Å; L342-S352 WeakPolarHBondContact CA-O 3.41Å; L342-I353 HydrophobicContact CD2-CG2 4.13Å; L342-P384 HydrophobicContact CD1-CB 4.24Å; L342-S412 WeakPolarHBondContact O-CB 3.2Å
343T91.8Very high90.3Very high2 Ų236.7 Ų36.71%0.01219%0.191CC..  trans-94.2-20.6-178.946.20000113.3T341 S352 H354 T408 S412T341-T343 PolarHBondContact O-N 3.23Å; T343-S352 PolarHBondContact N-O 2.99Å; T343-S352 VanDerWaalsContact OG1-C 3.3Å; T343-S352 PolarHBondContact OG1-O 3.42Å; T343-S352 PolarHBondContact OG1-OG 3.3Å; T343-H354 WeakPolarHBondContact CB-ND1 3.44Å; T343-H354 HydrophobicContact CG2-CB 4.11Å; T343-H354 WeakPolarHBondContact CG2-ND1 3.28Å; T343-H354 PolarHBondContact OG1-CE1 3.16Å; T343-H354 PolarHBondContact OG1-ND1 3.25Å; T343-T408 HydrophobicContact CG2-CG2 3.65Å; T343-S412 WeakPolarHBondContact O-CA 3.38Å; T343-S412 PolarHBondContact O-N 3.36Å
344S91.7Very high90.4Very high0 Ų036.8 Ų36.80%019%0.19CC..SBendtrans-72.7154.7173.5480000112.4M319 E348 F351 S352 S412M319-S344 WeakPolarHBondContact CE-OG 3.3Å; S344-E348 WeakPolarHBondContact CA-OE2 3.5Å; S344-E348 WeakPolarHBondContact CB-OE2 3.31Å; S344-F351 WeakPolarHBondContact OG-CA 3.42Å; S344-S352 PolarHBondContact N-OG 2.93Å; S344-S352 PolarHBondContact OG-N 3.31Å; S344-S412 VanDerWaalsContact O-CB 3.29Å; S344-S412 WeakPolarHBondContact O-CB 3.36Å; S344-S412 PolarHBondContact O-OG 3.45Å
345A91.3Very high90.7Very high0 Ų032.4 Ų32.40%016%0.161CC..  trans-84.3147.8174.600000111.6M319 E347 E348 K415 Y419M319-A345 VanDerWaalsContact CE-C 3.4Å; M319-A345 WeakPolarHBondContact CE-O 3.48Å; A345-E347 VanDerWaalsContact CB-OE2 3.32Å; A345-E347 WeakPolarHBondContact CB-OE2 3.35Å; A345-E347 PolarHBondContact O-N 3.45Å; A345-E348 HydrophobicContact CB-CG 4.25Å; A345-E348 PolarHBondContact N-OE2 3.14Å; A345-E348 PolarHBondContact O-N 3.06Å; A345-K415 HydrophobicContact CB-CB 3.67Å; A345-K415 HydrophobicContact CB-CD 4.48Å; A345-Y419 HydrophobicContact CB-CD2 4.03Å; A345-Y419 HydrophobicContact CB-CE2 4.02Å
346P90.2Very high90.9Very high25 Ų2531.3 Ų31.316%0.16215%0.15CC..THydrogen-bonded Turntrans-54.1-20.3172.9-29.838.6000115K314 M319 V321K314-P346 PolarHBondContact NZ-O 3.1Å; M319-P346 WeakPolarHBondContact O-CB 3.48Å; M319-P346 WeakPolarHBondContact O-CG 3.22Å; V321-P346 HydrophobicContact CG1-CG 3.8Å
347E90.1Very high90.9Very high70 Ų7030.7 Ų30.733%0.32715%0.151SC..THydrogen-bonded Turntrans-86.6-13.1179.7-578617000113.1A345 S416 Y419A345-E347 VanDerWaalsContact CB-OE2 3.32Å; A345-E347 WeakPolarHBondContact CB-OE2 3.35Å; A345-E347 PolarHBondContact O-N 3.45Å; E347-S416 PolarHBondContact OE1-OG 3.07Å; E347-S416 WeakPolarHBondContact OE2-CA 3.48Å; E347-S416 WeakPolarHBondContact OE2-CB 3.48Å; E347-S416 PolarHBondContact OE2-OG 3.39Å; E347-Y419 HydrophobicContact CB-CD1 3.86Å; E347-Y419 HydrophobicContact CB-CD2 3.74Å; E347-Y419 HydrophobicContact CB-CE1 4.25Å; E347-Y419 HydrophobicContact CB-CE2 4.17Å; E347-Y419 HydrophobicContact CB-CG 3.58Å; E347-Y419 HydrophobicContact CG-CD2 4.3Å; E347-Y419 HydrophobicContact CG-CG 3.96Å
348E90.7Very high90.5Very high21 Ų2131.3 Ų31.310%0.09817%0.173CC..SBendtrans-77.6149.8176.4-68.2172.9149.400111.6K314 S344 A345 F350 K415 Y419K314-E348 WeakPolarHBondContact CD-O 3.38Å; K314-E348 PolarHBondContact NZ-O 3.39Å; S344-E348 WeakPolarHBondContact CA-OE2 3.5Å; S344-E348 WeakPolarHBondContact CB-OE2 3.31Å; A345-E348 HydrophobicContact CB-CG 4.25Å; A345-E348 PolarHBondContact N-OE2 3.14Å; A345-E348 PolarHBondContact O-N 3.06Å; E348-F350 VanDerWaalsContact C-N 3.25Å; E348-F350 HydrophobicContact CB-CD1 4.34Å; E348-F350 HydrophobicContact CB-CE1 4.18Å; E348-F350 HydrophobicContact CB-CZ 4.5Å; E348-F350 HydrophobicContact CG-CE1 4.39Å; E348-F350 HydrophobicContact CG-CZ 4.49Å; E348-F350 PolarHBondContact O-N 2.64Å; E348-K415 IonicContact OE1-NZ 3.35Å; E348-K415 PolarHBondContact OE1-NZ 2.9Å; E348-K415 IonicContact OE2-NZ 3.71Å; E348-K415 PolarHBondContact OE2-NZ 3.08Å; E348-Y419 HydrophobicContact CG-CE2 3.94Å; E348-Y419 WeakPolarHBondContact CG-OH 3.47Å
349D91.3Very high90.3Very high147 Ų14730.8 Ų30.879%0.78618%0.178SC*.SBendtrans-77.2-8.4179.2-70.3-37.4000114.1K314K314-D349 WeakPolarHBondContact CB-O 3.49Å
350F92.9Very high90.1Very high50 Ų5033.9 Ų33.922%0.21919%0.192CC..EExtended strand (participates in β ladder)trans-122.1162175.564.7-87.3000109.2Q311 M312 E348Q311-F350 HydrophobicContact CB-CD2 4.01Å; Q311-F350 HydrophobicContact CG-CD2 4.07Å; Q311-F350 HydrophobicContact CG-CE2 4.07Å; M312-F350 WeakPolarHBondContact O-CA 3.48Å; M312-F350 WeakPolarHBondContact O-CB 3.3Å; E348-F350 VanDerWaalsContact C-N 3.25Å; E348-F350 HydrophobicContact CB-CD1 4.34Å; E348-F350 HydrophobicContact CB-CE1 4.18Å; E348-F350 HydrophobicContact CB-CZ 4.5Å; E348-F350 HydrophobicContact CG-CE1 4.39Å; E348-F350 HydrophobicContact CG-CZ 4.49Å; E348-F350 PolarHBondContact O-N 2.64Å
351F93.9Very high90Very high5 Ų532.8 Ų32.82%0.02219%0.187CC..EExtended strand (participates in β ladder)trans-115.9144.9163.968.2-88.7000110.2V295 M312 N313 K314 F317 M319 I325 L342 S344 V381V295-F351 HydrophobicContact CG1-CZ 4.14Å; M312-F351 HydrophobicContact CB-CD1 4.24Å; M312-F351 HydrophobicContact CB-CD2 4.12Å; M312-F351 HydrophobicContact CB-CE1 3.8Å; M312-F351 HydrophobicContact CB-CE2 3.65Å; M312-F351 HydrophobicContact CB-CG 4.4Å; M312-F351 HydrophobicContact CB-CZ 3.48Å; M312-F351 VanDerWaalsContact CB-CZ 3.48Å; M312-F351 HydrophobicContact CE-CD2 3.83Å; M312-F351 HydrophobicContact CE-CE2 3.5Å; M312-F351 VanDerWaalsContact CE-CE2 3.5Å; M312-F351 HydrophobicContact CE-CZ 4.43Å; M312-F351 HydrophobicContact CG-CE2 4.23Å; M312-F351 HydrophobicContact CG-CZ 4.31Å; M312-F351 PolarHBondContact N-O 2.7Å; M312-F351 PolarHBondContact O-N 3.41Å; M312-F351 HydrophobicContact SD-CD2 4.45Å; M312-F351 HydrophobicContact SD-CE2 3.59Å; M312-F351 VanDerWaalsContact SD-CE2 3.59Å; M312-F351 HydrophobicContact SD-CZ 4Å; N313-F351 VanDerWaalsContact O-CE1 3.25Å; N313-F351 WeakPolarHBondContact O-CE1 3.4Å; K314-F351 HydrophobicContact CB-CD1 4.14Å; K314-F351 HydrophobicContact CG-CD1 4.39Å; F317-F351 HydrophobicContact CB-CE1 4.43Å; F317-F351 HydrophobicContact CD1-CB 4.41Å; F317-F351 AromaticContact CD1-CD1 3.68Å; F317-F351 HydrophobicContact CD1-CD1 3.68Å; F317-F351 HydrophobicContact CD1-CE1 4.03Å; F317-F351 HydrophobicContact CD1-CG 4.03Å; F317-F351 HydrophobicContact CE1-CB 4.26Å; F317-F351 HydrophobicContact CE1-CD1 4.08Å; F317-F351 HydrophobicContact CE1-CD2 4.29Å; F317-F351 HydrophobicContact CE1-CE1 4.48Å; F317-F351 AromaticContact CE1-CG 3.97Å; F317-F351 HydrophobicContact CE1-CG 3.97Å; F317-F351 HydrophobicContact CG-CD1 4.28Å; F317-F351 HydrophobicContact CG-CE1 4.2Å; M319-F351 HydrophobicContact CE-CB 4.06Å; M319-F351 HydrophobicContact SD-CB 3.54Å; M319-F351 VanDerWaalsContact SD-CB 3.54Å; I325-F351 HydrophobicContact CD1-CD2 4.39Å; I325-F351 HydrophobicContact CD1-CE2 4.04Å; L342-F351 HydrophobicContact CD2-CB 4.25Å; L342-F351 HydrophobicContact CD2-CD2 3.85Å; L342-F351 HydrophobicContact CD2-CG 4.45Å; S344-F351 WeakPolarHBondContact OG-CA 3.42Å; F351-V381 HydrophobicContact CE2-CG2 4.49Å
352S93.6Very high89.9Confident1 Ų133 Ų331%0.00719%0.189CC..EExtended strand (participates in β ladder)trans-133.9153.6-177.370.80000113.1L310 L342 T343 S344L310-S352 WeakPolarHBondContact O-CA 3.03Å; L310-S352 WeakPolarHBondContact O-CB 3.5Å; L342-S352 WeakPolarHBondContact CA-O 3.41Å; T343-S352 PolarHBondContact N-O 2.99Å; T343-S352 VanDerWaalsContact OG1-C 3.3Å; T343-S352 PolarHBondContact OG1-O 3.42Å; T343-S352 PolarHBondContact OG1-OG 3.3Å; S344-S352 PolarHBondContact N-OG 2.93Å; S344-S352 PolarHBondContact OG-N 3.31Å
353I94Very high89.9Confident0 Ų036.4 Ų36.40%020%0.204CC..EExtended strand (participates in β ladder)trans-131.3148.5173.660-179.5000109.8E309 L310 M312 I325 V327 F340 L342 I355E309-I353 WeakPolarHBondContact CA-O 3.31Å; L310-I353 HydrophobicContact CB-CG1 4.04Å; L310-I353 HydrophobicContact CD1-CD1 4.41Å; L310-I353 PolarHBondContact N-O 3.02Å; L310-I353 PolarHBondContact O-N 2.84Å; L310-I353 VanDerWaalsContact O-N 3.08Å; M312-I353 HydrophobicContact CE-CD1 3.93Å; M312-I353 HydrophobicContact CE-CG1 3.81Å; M312-I353 HydrophobicContact CE-CG2 4.43Å; I325-I353 HydrophobicContact CD1-CG2 3.79Å; I325-I353 HydrophobicContact CG1-CG2 4.04Å; V327-I353 HydrophobicContact CG2-CD1 3.71Å; F340-I353 HydrophobicContact CB-CB 4.11Å; F340-I353 HydrophobicContact CB-CD1 4.28Å; F340-I353 HydrophobicContact CB-CG2 4.03Å; F340-I353 HydrophobicContact CD2-CD1 4.33Å; F340-I353 HydrophobicContact CG-CD1 4.43Å; L342-I353 HydrophobicContact CD2-CG2 4.13Å; I353-I355 HydrophobicContact CD1-CD1 3.81Å; I353-I355 HydrophobicContact CD1-CG1 4.18Å; I353-I355 HydrophobicContact CG1-CD1 4.3Å; I353-I355 HydrophobicContact CG1-CG1 4.27Å
354H91.6Very high89.8Confident17 Ų1739.8 Ų39.88%0.07922%0.223CC..EExtended strand (participates in β ladder)trans-115.4119.4174-72.365.1000109.5H303 V307 L308 E309 T343 T408 W447H303-H354 AromaticContact NE2-NE2 3.76Å; V307-H354 HydrophobicContact CG1-CB 4.09Å; L308-H354 CarbonylContact O-C 3.54Å; L308-H354 WeakPolarHBondContact O-CA 3.28Å; E309-H354 IonicContact OE1-CE1 3.55Å; E309-H354 IonicContact OE2-NE2 3.88Å; T343-H354 WeakPolarHBondContact CB-ND1 3.44Å; T343-H354 HydrophobicContact CG2-CB 4.11Å; T343-H354 WeakPolarHBondContact CG2-ND1 3.28Å; T343-H354 PolarHBondContact OG1-CE1 3.16Å; T343-H354 PolarHBondContact OG1-ND1 3.25Å; H354-T408 HydrophobicContact CB-CG2 4.07Å; H354-W447 AromaticContact CD2-CD2 3.86Å; H354-W447 AromaticContact CD2-CE3 3.47Å; H354-W447 VanDerWaalsContact CD2-CE3 3.47Å; H354-W447 AromaticContact CD2-CZ3 3.65Å; H354-W447 AromaticContact CE1-CZ3 3.91Å; H354-W447 AromaticContact NE2-CE3 3.37Å; H354-W447 AromaticContact NE2-CZ3 3.58Å
355I91.4Very high89.7Confident0 Ų039.8 Ų39.80%022%0.223CC..EExtended strand (participates in β ladder)trans-112.7117.4-173.4-55.7178000108.4V307 L308 L310 F340 I353 T362 L365V307-I355 CarbonylContact C-O 3.59Å; V307-I355 WeakPolarHBondContact CA-O 3.22Å; L308-I355 HydrophobicContact CB-CB 4.45Å; L308-I355 PolarHBondContact N-O 2.74Å; L308-I355 PolarHBondContact O-N 3.47Å; L310-I355 HydrophobicContact CD1-CD1 4.13Å; F340-I355 HydrophobicContact CD1-CG1 3.84Å; F340-I355 HydrophobicContact CD2-CD1 4.36Å; F340-I355 HydrophobicContact CD2-CG1 4.44Å; F340-I355 HydrophobicContact CE1-CB 4.18Å; F340-I355 HydrophobicContact CE1-CD1 4.39Å; F340-I355 HydrophobicContact CE1-CG1 3.83Å; F340-I355 HydrophobicContact CE1-CG2 3.72Å; F340-I355 HydrophobicContact CE2-CD1 4.15Å; F340-I355 HydrophobicContact CE2-CG1 4.41Å; F340-I355 HydrophobicContact CG-CG1 4.16Å; F340-I355 HydrophobicContact CZ-CD1 4.18Å; F340-I355 HydrophobicContact CZ-CG1 4.13Å; F340-I355 HydrophobicContact CZ-CG2 3.92Å; I353-I355 HydrophobicContact CD1-CD1 3.81Å; I353-I355 HydrophobicContact CD1-CG1 4.18Å; I353-I355 HydrophobicContact CG1-CD1 4.3Å; I353-I355 HydrophobicContact CG1-CG1 4.27Å; I355-T362 HydrophobicContact CG2-CG2 4.03Å; I355-L365 HydrophobicContact CD1-CD2 3.41Å; I355-L365 VanDerWaalsContact CD1-CD2 3.41Å; I355-L365 HydrophobicContact CG2-CD2 4.43Å
356R88.6Confident89.7Confident83 Ų8340 Ų4031%0.31322%0.224SC..EExtended strand (participates in β ladder)trans-92.9140.9172.7-174.5-179.5-177.4-172.64.6110.1V307 A358 I405 E441V307-R356 HydrophobicContact CG2-CB 4.19Å; V307-R356 HydrophobicContact CG2-CG 4.2Å; R356-A358 PolarHBondContact O-N 3.08Å; R356-A358 VanDerWaalsContact O-N 3.08Å; R356-I405 HydrophobicContact CB-CB 4.38Å; R356-I405 HydrophobicContact CB-CD1 4.18Å; R356-I405 HydrophobicContact CB-CG1 4.04Å; R356-E441 IonicContact CZ-OE1 3.88Å; R356-E441 IonicContact NH2-OE1 2.62Å; R356-E441 PolarHBondContact NH2-OE1 2.88Å; R356-E441 IonicContact NH2-OE2 2.82Å; R356-E441 PolarHBondContact NH2-OE2 2.99Å
357A85.3Confident89.7Confident23 Ų2344.8 Ų44.819%0.1924%0.239CC..  trans-59.9109.2167.800000110.8K306 E363 I366K306-A357 HydrophobicContact CB-CB 4.02Å; K306-A357 HydrophobicContact CD-CB 4.31Å; K306-A357 PolarHBondContact O-N 2.7Å; A357-E363 HydrophobicContact CB-CG 4.02Å; A357-I366 HydrophobicContact CB-CD1 3.68Å
358A80Confident89.7Confident93 Ų9342.7 Ų42.777%0.76923%0.233SC*.  trans-136-12-177.600000114.3R356 T362R356-A358 PolarHBondContact O-N 3.08Å; R356-A358 VanDerWaalsContact O-N 3.08Å; A358-T362 PolarHBondContact N-OG1 2.88Å
359G82.4Confident89.6Confident28 Ų2842.5 Ų42.529%0.28923%0.232SC..SBendtrans-164.5175.4179.800000111.3W361 T362 E363G359-W361 PolarHBondContact O-N 3.27Å; G359-T362 PolarHBondContact N-OG1 3.44Å; G359-T362 PolarHBondContact O-N 3.5Å; G359-T362 PolarHBondContact O-OG1 3.16Å; G359-E363 WeakPolarHBondContact O-CB 3.29Å; G359-E363 WeakPolarHBondContact O-CG 3.21Å; G359-E363 PolarHBondContact O-N 2.98Å
360D85.9Confident89.3Confident110 Ų11040 Ų4059%0.58822%0.216SC*.Hα-helixtrans-51-50.5-178.756.3-15.9000113.4T362 E363 N364D360-T362 PolarHBondContact O-N 3.37Å; D360-E363 PolarHBondContact O-N 3.2Å; D360-N364 WeakPolarHBondContact O-CB 3.16Å; D360-N364 PolarHBondContact O-N 3.05Å; D360-N364 PolarHBondContact O-ND2 3.16Å; D360-N364 VanDerWaalsContact O-ND2 3.15Å
361W89Confident88.5Confident4 Ų443.5 Ų43.52%0.01523%0.233CC..Hα-helixtrans-61.7-48.2179.4-173.396.2000112.1V327 C329 I332 H338 F340 G359 E363 N364 L365V327-W361 HydrophobicContact CG1-CH2 4.22Å; C329-W361 HydrophobicContact CB-CZ2 3.93Å; I332-W361 HydrophobicContact CG2-CG 4.37Å; H338-W361 HydrophobicContact CB-CE3 4.14Å; H338-W361 HydrophobicContact CB-CH2 4.29Å; H338-W361 HydrophobicContact CB-CZ3 4Å; H338-W361 AromaticContact CD2-CD1 3.74Å; H338-W361 AromaticContact CD2-CD2 3.19Å; H338-W361 AromaticContact CD2-CE2 3.38Å; H338-W361 AromaticContact CD2-CE3 3.57Å; H338-W361 AromaticContact CD2-CG 3.47Å; H338-W361 VanDerWaalsContact CD2-CG 3.47Å; H338-W361 AromaticContact CD2-CZ2 3.92Å; H338-W361 AromaticContact CD2-NE1 3.68Å; H338-W361 AromaticContact CE1-CG 3.95Å; H338-W361 AromaticContact CG-CD2 3.88Å; H338-W361 AromaticContact CG-CE3 3.77Å; H338-W361 WeakPolarHBondContact NE2-CB 3.36Å; H338-W361 AromaticContact NE2-CD1 3.43Å; H338-W361 AromaticContact NE2-CD2 3.46Å; H338-W361 AromaticContact NE2-CE2 3.92Å; H338-W361 AromaticContact NE2-CG 3.15Å; H338-W361 AromaticContact NE2-NE1 3.86Å; F340-W361 HydrophobicContact CE2-CH2 4.04Å; F340-W361 AromaticContact CE2-CZ3 3.66Å; F340-W361 HydrophobicContact CE2-CZ3 3.66Å; F340-W361 HydrophobicContact CZ-CE3 4.43Å; F340-W361 HydrophobicContact CZ-CH2 4.49Å; F340-W361 AromaticContact CZ-CZ3 3.67Å; F340-W361 HydrophobicContact CZ-CZ3 3.67Å; G359-W361 PolarHBondContact O-N 3.27Å; W361-E363 VanDerWaalsContact C-N 3.35Å; W361-E363 PolarHBondContact O-N 3.17Å; W361-N364 PolarHBondContact O-N 2.62Å; W361-L365 HydrophobicContact CH2-CD1 4.39Å; W361-L365 HydrophobicContact CH2-CD2 3.73Å; W361-L365 HydrophobicContact CZ3-CB 4.4Å; W361-L365 HydrophobicContact CZ3-CD2 3.66Å; W361-L365 WeakPolarHBondContact O-CB 3.42Å; W361-L365 PolarHBondContact O-N 3.32Å
362T90.7Very high87.1Confident14 Ų1451.6 Ų51.69%0.08627%0.271CS..Hα-helixtrans-66.2-35.9-179.855.50000112.6F340 I355 A358 G359 D360 L365 I366F340-T362 HydrophobicContact CE1-CG2 4.49Å; F340-T362 HydrophobicContact CZ-CG2 4.17Å; I355-T362 HydrophobicContact CG2-CG2 4.03Å; A358-T362 PolarHBondContact N-OG1 2.88Å; G359-T362 PolarHBondContact N-OG1 3.44Å; G359-T362 PolarHBondContact O-N 3.5Å; G359-T362 PolarHBondContact O-OG1 3.16Å; D360-T362 PolarHBondContact O-N 3.37Å; T362-L365 PolarHBondContact O-N 3.41Å; T362-I366 WeakPolarHBondContact O-CB 3.23Å; T362-I366 WeakPolarHBondContact O-CD1 3.5Å; T362-I366 VanDerWaalsContact O-CG1 3.26Å; T362-I366 WeakPolarHBondContact O-CG1 3.31Å; T362-I366 PolarHBondContact O-N 3.32Å
363E90.6Very high85.4Confident71 Ų7159.2 Ų59.233%0.33230%0.301SS..Hα-helixtrans-68.1-44.1176-78.4-169.6-161.800111.4A357 G359 D360 W361 L365 I366 R367A357-E363 HydrophobicContact CB-CG 4.02Å; G359-E363 WeakPolarHBondContact O-CB 3.29Å; G359-E363 WeakPolarHBondContact O-CG 3.21Å; G359-E363 PolarHBondContact O-N 2.98Å; D360-E363 PolarHBondContact O-N 3.2Å; W361-E363 VanDerWaalsContact C-N 3.35Å; W361-E363 PolarHBondContact O-N 3.17Å; E363-L365 VanDerWaalsContact C-N 3.29Å; E363-L365 PolarHBondContact O-N 3.43Å; E363-I366 PolarHBondContact O-N 3.42Å; E363-R367 WeakPolarHBondContact O-CB 3.13Å; E363-R367 VanDerWaalsContact O-CG 3.28Å; E363-R367 WeakPolarHBondContact O-CG 3.35Å; E363-R367 PolarHBondContact O-N 2.89Å; E363-R367 IonicContact OE2-NH2 2.77Å; E363-R367 PolarHBondContact OE2-NH2 3.2Å; E363-R367 VanDerWaalsContact OE2-NH2 3.14Å
364N89.6Confident83.7Confident74 Ų7464.9 Ų64.940%0.39634%0.34SS..Hα-helixtrans-63.7-37.4176.8-70.1-25.6000111.4I332 D360 W361 R367 A368I332-N364 HydrophobicContact CD1-CB 4.48Å; I332-N364 HydrophobicContact CG2-CB 4Å; D360-N364 WeakPolarHBondContact O-CB 3.16Å; D360-N364 PolarHBondContact O-N 3.05Å; D360-N364 PolarHBondContact O-ND2 3.16Å; D360-N364 VanDerWaalsContact O-ND2 3.15Å; W361-N364 PolarHBondContact O-N 2.62Å; N364-R367 PolarHBondContact O-N 3.41Å; N364-A368 WeakPolarHBondContact O-CB 3.34Å; N364-A368 PolarHBondContact O-N 3.11Å
365L91.3Very high82.8Confident0 Ų069.6 Ų69.60%037%0.372CS..Hα-helixtrans-62.8-49.9174.3-172.775.9000111.4L308 C329 I332 I355 W361 T362 E363 R367 A368 F369 I379L308-L365 HydrophobicContact CD2-CD2 4.22Å; L308-L365 HydrophobicContact CD2-CG 4.26Å; C329-L365 HydrophobicContact CB-CD1 3.81Å; I332-L365 HydrophobicContact CD1-CB 3.63Å; I332-L365 HydrophobicContact CD1-CD1 3.53Å; I332-L365 HydrophobicContact CD1-CG 4.21Å; I355-L365 HydrophobicContact CD1-CD2 3.41Å; I355-L365 VanDerWaalsContact CD1-CD2 3.41Å; I355-L365 HydrophobicContact CG2-CD2 4.43Å; W361-L365 HydrophobicContact CH2-CD1 4.39Å; W361-L365 HydrophobicContact CH2-CD2 3.73Å; W361-L365 HydrophobicContact CZ3-CB 4.4Å; W361-L365 HydrophobicContact CZ3-CD2 3.66Å; W361-L365 WeakPolarHBondContact O-CB 3.42Å; W361-L365 PolarHBondContact O-N 3.32Å; T362-L365 PolarHBondContact O-N 3.41Å; E363-L365 VanDerWaalsContact C-N 3.29Å; E363-L365 PolarHBondContact O-N 3.43Å; L365-R367 VanDerWaalsContact C-N 3.32Å; L365-R367 PolarHBondContact O-N 2.86Å; L365-A368 WeakPolarHBondContact O-CB 3.35Å; L365-A368 PolarHBondContact O-N 3.15Å; L365-F369 HydrophobicContact CD1-CD2 4.12Å; L365-F369 HydrophobicContact CD1-CE2 3.73Å; L365-F369 HydrophobicContact CG-CD2 4.14Å; L365-F369 HydrophobicContact CG-CE2 4.18Å; L365-F369 WeakPolarHBondContact O-CD2 3.46Å; L365-F369 PolarHBondContact O-N 3.28Å; L365-F369 VanDerWaalsContact O-N 3.13Å; L365-I379 HydrophobicContact CD1-CD1 4.09Å
366I91.4Very high82.4Confident5 Ų574.8 Ų74.83%0.02640%0.399CS..Hα-helixtrans-58.7-46.6178.4-72.2165.4000110.4M302 L308 A357 T362 E363 A368 F369 E370M302-I366 HydrophobicContact CE-CG2 3.77Å; L308-I366 HydrophobicContact CB-CG1 3.84Å; L308-I366 HydrophobicContact CD2-CG1 4.25Å; A357-I366 HydrophobicContact CB-CD1 3.68Å; T362-I366 WeakPolarHBondContact O-CB 3.23Å; T362-I366 WeakPolarHBondContact O-CD1 3.5Å; T362-I366 VanDerWaalsContact O-CG1 3.26Å; T362-I366 WeakPolarHBondContact O-CG1 3.31Å; T362-I366 PolarHBondContact O-N 3.32Å; E363-I366 PolarHBondContact O-N 3.42Å; I366-A368 VanDerWaalsContact C-N 3.31Å; I366-A368 PolarHBondContact O-N 3.47Å; I366-F369 PolarHBondContact O-N 3.17Å; I366-E370 HydrophobicContact CG2-CG 4.06Å; I366-E370 WeakPolarHBondContact CG2-OE1 3.32Å; I366-E370 WeakPolarHBondContact O-CB 3.47Å; I366-E370 WeakPolarHBondContact O-CG 3.3Å; I366-E370 PolarHBondContact O-N 3.47Å
367R89.8Confident82.3Confident125 Ų12571.8 Ų71.847%0.47239%0.39SS..Hα-helixtrans-59.8-40.4176.9-71176.3-163.7-174.310.3112.5E363 N364 L365 F369 E370 Q371E363-R367 WeakPolarHBondContact O-CB 3.13Å; E363-R367 VanDerWaalsContact O-CG 3.28Å; E363-R367 WeakPolarHBondContact O-CG 3.35Å; E363-R367 PolarHBondContact O-N 2.89Å; E363-R367 IonicContact OE2-NH2 2.77Å; E363-R367 PolarHBondContact OE2-NH2 3.2Å; E363-R367 VanDerWaalsContact OE2-NH2 3.14Å; N364-R367 PolarHBondContact O-N 3.41Å; L365-R367 VanDerWaalsContact C-N 3.32Å; L365-R367 PolarHBondContact O-N 2.86Å; R367-F369 VanDerWaalsContact C-N 3.3Å; R367-F369 PolarHBondContact O-N 3.16Å; R367-E370 PolarHBondContact O-N 3.29Å; R367-Q371 WeakPolarHBondContact O-CB 3.41Å; R367-Q371 VanDerWaalsContact O-CG 3.31Å; R367-Q371 WeakPolarHBondContact O-CG 3.35Å; R367-Q371 PolarHBondContact O-N 3.45Å
368A88.8Confident82.5Confident26 Ų2677.3 Ų77.322%0.21541%0.406CS..Hα-helixtrans-62.8-37.1178.600000112.3N364 L365 I366 P377N364-A368 WeakPolarHBondContact O-CB 3.34Å; N364-A368 PolarHBondContact O-N 3.11Å; L365-A368 WeakPolarHBondContact O-CB 3.35Å; L365-A368 PolarHBondContact O-N 3.15Å; I366-A368 VanDerWaalsContact C-N 3.31Å; I366-A368 PolarHBondContact O-N 3.47Å; A368-P377 HydrophobicContact CB-CG 4.05Å
369F88.4Confident83.1Confident16 Ų1673 Ų737%0.0737%0.37CS..Hα-helixtrans-82.5-29176-79.4-81.8000113.4I297 V300 L308 L310 L365 I366 R367 I376 P377 I379I297-F369 HydrophobicContact CD1-CE1 3.83Å; I297-F369 HydrophobicContact CD1-CZ 3.76Å; V300-F369 HydrophobicContact CG1-CB 4.31Å; V300-F369 HydrophobicContact CG1-CD1 3.94Å; V300-F369 HydrophobicContact CG1-CG 4.44Å; V300-F369 HydrophobicContact CG2-CD1 3.92Å; V300-F369 HydrophobicContact CG2-CE1 4.04Å; L308-F369 HydrophobicContact CD1-CB 3.99Å; L308-F369 HydrophobicContact CD1-CG 4.33Å; L308-F369 HydrophobicContact CD2-CB 4.21Å; L308-F369 HydrophobicContact CD2-CD2 3.82Å; L308-F369 HydrophobicContact CD2-CG 4.16Å; L310-F369 HydrophobicContact CD1-CE2 4.32Å; L310-F369 HydrophobicContact CD1-CZ 4.37Å; L310-F369 HydrophobicContact CD2-CD1 4.1Å; L310-F369 HydrophobicContact CD2-CE1 3.89Å; L310-F369 HydrophobicContact CD2-CE2 4.36Å; L310-F369 HydrophobicContact CD2-CG 4.41Å; L310-F369 HydrophobicContact CD2-CZ 4.04Å; L365-F369 HydrophobicContact CD1-CD2 4.12Å; L365-F369 HydrophobicContact CD1-CE2 3.73Å; L365-F369 HydrophobicContact CG-CD2 4.14Å; L365-F369 HydrophobicContact CG-CE2 4.18Å; L365-F369 WeakPolarHBondContact O-CD2 3.46Å; L365-F369 PolarHBondContact O-N 3.28Å; L365-F369 VanDerWaalsContact O-N 3.13Å; I366-F369 PolarHBondContact O-N 3.17Å; R367-F369 VanDerWaalsContact C-N 3.3Å; R367-F369 PolarHBondContact O-N 3.16Å; F369-I376 HydrophobicContact CD1-CG2 4.47Å; F369-I376 HydrophobicContact CE1-CG2 3.66Å; F369-I376 HydrophobicContact CZ-CG2 4.34Å; F369-P377 HydrophobicContact CE2-CB 4.24Å; F369-P377 HydrophobicContact CE2-CG 4.25Å; F369-P377 HydrophobicContact CZ-CB 4.16Å; F369-P377 HydrophobicContact CZ-CG 4.27Å; F369-I379 HydrophobicContact CE2-CD1 4.29Å; F369-I379 HydrophobicContact CZ-CD1 4.35Å; F369-I379 HydrophobicContact CZ-CG1 4.21Å
370E85.2Confident83.5Confident96 Ų9672.8 Ų72.845%0.44936%0.361SS..Hα-helixtrans-66.2-40.7174.6-81177.7171.700112.3M302 I366 R367 Q372M302-E370 HydrophobicContact CE-CG 3.7Å; M302-E370 WeakPolarHBondContact CE-OE1 3.47Å; M302-E370 HydrophobicContact SD-CG 4.22Å; I366-E370 HydrophobicContact CG2-CG 4.06Å; I366-E370 WeakPolarHBondContact CG2-OE1 3.32Å; I366-E370 WeakPolarHBondContact O-CB 3.47Å; I366-E370 WeakPolarHBondContact O-CG 3.3Å; I366-E370 PolarHBondContact O-N 3.47Å; R367-E370 PolarHBondContact O-N 3.29Å; E370-Q372 PolarHBondContact O-N 3.44Å; E370-Q372 VanDerWaalsContact O-N 3.16Å
371Q76.3Confident83.8Confident123 Ų12367.6 Ų67.658%0.57533%0.334SS*.THydrogen-bonded Turntrans-73.7-2.4-175.6-70.3177.1-9.900113.8R367 Y373R367-Q371 WeakPolarHBondContact O-CB 3.41Å; R367-Q371 VanDerWaalsContact O-CG 3.31Å; R367-Q371 WeakPolarHBondContact O-CG 3.35Å; R367-Q371 PolarHBondContact O-N 3.45Å; Q371-Y373 HydrophobicContact CB-CD2 3.49Å; Q371-Y373 VanDerWaalsContact CB-CD2 3.49Å; Q371-Y373 HydrophobicContact CB-CE2 3.66Å; Q371-Y373 HydrophobicContact CG-CE2 4.3Å; Q371-Y373 PolarHBondContact O-N 2.96Å; Q371-Y373 VanDerWaalsContact OE1-CE2 3.29Å
372Q65.3Low83.8Confident175 Ų17567.9 Ų67.982%0.81834%0.336SS*.THydrogen-bonded Turntrans45.832178.7-67.1-177.6-2.400114.1E370 S374E370-Q372 PolarHBondContact O-N 3.44Å; E370-Q372 VanDerWaalsContact O-N 3.16Å; Q372-S374 PolarHBondContact O-N 2.87Å
373Y57.9Low83.6Confident161 Ų16167.3 Ų67.363%0.63133%0.332SS*.PPolyproline II helixtrans-62.8125.2177.1-85.2-76.7000109.3Q371 P375 I376Q371-Y373 HydrophobicContact CB-CD2 3.49Å; Q371-Y373 VanDerWaalsContact CB-CD2 3.49Å; Q371-Y373 HydrophobicContact CB-CE2 3.66Å; Q371-Y373 HydrophobicContact CG-CE2 4.3Å; Q371-Y373 PolarHBondContact O-N 2.96Å; Q371-Y373 VanDerWaalsContact OE1-CE2 3.29Å; Y373-P375 CarbonylContact O-C 3.46Å; Y373-P375 VanDerWaalsContact O-O 3.07Å; Y373-I376 PolarHBondContact O-N 3.49Å
374S58.5Low83.4Confident118 Ų11864.9 Ų64.983%0.82532%0.323SS*.SBendtrans-83.8123.6164.5-165.70000107.5Q372Q372-S374 PolarHBondContact O-N 2.87Å
375P73.1Confident83.1Confident116 Ų11661.4 Ų61.475%0.75330%0.304SS*.SBendcis-86.6149.2833.2-33.9000114.3Y373Y373-P375 CarbonylContact O-C 3.46Å; Y373-P375 VanDerWaalsContact O-O 3.07Å
376I82.3Confident82.3Confident110 Ų11062.3 Ų62.356%0.56431%0.313SS*.PPolyproline II helixtrans-54.9133.9173.1-61.5173.3000109.5I297 F369 Y373 R378I297-I376 HydrophobicContact CD1-CG2 3.93Å; F369-I376 HydrophobicContact CD1-CG2 4.47Å; F369-I376 HydrophobicContact CE1-CG2 3.66Å; F369-I376 HydrophobicContact CZ-CG2 4.34Å; Y373-I376 PolarHBondContact O-N 3.49Å; I376-R378 PolarHBondContact O-N 3.27Å
377P87.3Confident81.4Confident20 Ų2062.3 Ų62.313%0.1331%0.314CS..PPolyproline II helixtrans-54.3133.5177.5-25.833.8000112.3A368 F369A368-P377 HydrophobicContact CB-CG 4.05Å; F369-P377 HydrophobicContact CE2-CB 4.24Å; F369-P377 HydrophobicContact CE2-CG 4.25Å; F369-P377 HydrophobicContact CZ-CB 4.16Å; F369-P377 HydrophobicContact CZ-CG 4.27Å
378R89Confident80.3Confident138 Ų13856.9 Ų56.952%0.52130%0.295SS..PPolyproline II helixtrans-71135.2173.5-179.1179171.7-161.1-8.7109.6P330 I376 E380P330-R378 WeakPolarHBondContact CD-O 3.31Å; I376-R378 PolarHBondContact O-N 3.27Å; R378-E380 IonicContact CZ-OE1 2.9Å; R378-E380 IonicContact NE-OE1 3.48Å; R378-E380 IonicContact NH1-OE1 2.88Å; R378-E380 IonicContact NH2-OE1 3.74Å; R378-E380 PolarHBondContact NH2-OE1 3.13Å
379I91.3Very high79.7Confident4 Ų455.6 Ų55.62%0.02129%0.285CS..  trans-113.4135.3175-63.6-63.2000109.8I297 M312 V327 C329 L365 F369 V381I297-I379 HydrophobicContact CD1-CG1 3.88Å; M312-I379 HydrophobicContact SD-CG2 4.46Å; V327-I379 HydrophobicContact CG1-CD1 4.35Å; V327-I379 HydrophobicContact CG1-CG2 3.61Å; C329-I379 HydrophobicContact CB-CD1 3.84Å; L365-I379 HydrophobicContact CD1-CD1 4.09Å; F369-I379 HydrophobicContact CE2-CD1 4.29Å; F369-I379 HydrophobicContact CZ-CD1 4.35Å; F369-I379 HydrophobicContact CZ-CG1 4.21Å; I379-V381 HydrophobicContact CG2-CG2 4.14Å
380E92.2Very high79.1Confident22 Ų2256.7 Ų56.710%0.10329%0.29CS..EExtended strand (participates in β ladder)trans-111.3143.7171.4-55.1-169.2161.800109.8V327 N328 P330 W337 R378V327-E380 WeakPolarHBondContact CA-O 3.15Å; N328-E380 HydrophobicContact CB-CB 4.34Å; N328-E380 PolarHBondContact N-O 3.12Å; N328-E380 PolarHBondContact O-N 3.05Å; P330-E380 HydrophobicContact CG-CG 4.24Å; W337-E380 HydrophobicContact CH2-CB 3.63Å; W337-E380 HydrophobicContact CZ3-CB 4.23Å; R378-E380 IonicContact CZ-OE1 2.9Å; R378-E380 IonicContact NE-OE1 3.48Å; R378-E380 IonicContact NH1-OE1 2.88Å; R378-E380 IonicContact NH2-OE1 3.74Å; R378-E380 PolarHBondContact NH2-OE1 3.13Å
381V91.2Very high78.8Confident2 Ų252.8 Ų52.81%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-129.8128-172.8172.60000110.4V295 M312 F317 I325 F326 F351 I379V295-V381 HydrophobicContact CG1-CG2 4.35Å; V295-V381 HydrophobicContact CG2-CB 3.89Å; V295-V381 HydrophobicContact CG2-CG2 3.76Å; M312-V381 HydrophobicContact SD-CG2 4.3Å; F317-V381 HydrophobicContact CE2-CG1 4.48Å; I325-V381 HydrophobicContact CB-CG1 3.94Å; I325-V381 HydrophobicContact CD1-CG1 3.78Å; I325-V381 HydrophobicContact CD1-CG2 4.12Å; I325-V381 HydrophobicContact CG1-CG1 4.45Å; I325-V381 HydrophobicContact CG2-CG1 3.99Å; F326-V381 CarbonylContact O-C 3.46Å; F326-V381 WeakPolarHBondContact O-CA 3.18Å; F351-V381 HydrophobicContact CE2-CG2 4.49Å; I379-V381 HydrophobicContact CG2-CG2 4.14Å
382D89.7Confident79.2Confident10 Ų1047 Ų475%0.05325%0.245CC..EExtended strand (participates in β ladder)trans-113.5122.1167.3175.131.1000108.9R287 I325 F326 W337 F385R287-D382 IonicContact CZ-OD2 3.46Å; R287-D382 IonicContact NH1-OD2 3.37Å; R287-D382 PolarHBondContact NH1-OD2 3.15Å; I325-D382 CarbonylContact C-O 3.48Å; I325-D382 WeakPolarHBondContact CA-O 3.42Å; F326-D382 HydrophobicContact CB-CB 4.21Å; F326-D382 PolarHBondContact N-O 3.31Å; F326-D382 PolarHBondContact O-N 2.79Å; W337-D382 HydrophobicContact CE3-CB 4.26Å; W337-D382 HydrophobicContact CZ3-CB 4.05Å; D382-F385 WeakPolarHBondContact O-CE2 3.32Å; D382-F385 WeakPolarHBondContact OD1-CZ 3.44Å; D382-F385 WeakPolarHBondContact OD2-CZ 3.3Å
383G86.5Confident80.1Confident1 Ų140.2 Ų40.21%0.0121%0.213CC..EExtended strand (participates in β ladder)trans145.8-175.7-178.100000113.2R290 F317R290-G383 PolarHBondContact NH2-O 3Å; F317-G383 WeakPolarHBondContact CE2-O 3.33Å
384P87.3Confident81.3Confident21 Ų2134.7 Ų34.714%0.13619%0.193CC..EExtended strand (participates in β ladder)cis-80.8163.79.736.7-39.4000113.9R290 F317 S318 Q323 Y324 L342R290-P384 PolarHBondContact NH2-O 3.14Å; F317-P384 HydrophobicContact CZ-CB 4.09Å; F317-P384 HydrophobicContact CZ-CG 4.29Å; S318-P384 WeakPolarHBondContact O-CD 3.29Å; S318-P384 WeakPolarHBondContact O-CG 3.49Å; Q323-P384 HydrophobicContact CB-CB 4.04Å; Q323-P384 VanDerWaalsContact OE1-CG 3.23Å; Y324-P384 WeakPolarHBondContact O-CA 3.4Å; L342-P384 HydrophobicContact CD1-CB 4.24Å
385F83.1Confident82.7Confident1 Ų129.9 Ų29.90%0.00416%0.157CC..EExtended strand (participates in β ladder)trans-121.5138.2172.3-64.5-72000110.6R73 Q323 Y324 F326 D382R73-F385 HydrophobicContact CB-CD1 3.92Å; R73-F385 HydrophobicContact CB-CE1 4.15Å; Q323-F385 WeakPolarHBondContact CA-O 3.27Å; Q323-F385 WeakPolarHBondContact CB-O 3.5Å; Y324-F385 HydrophobicContact CD1-CB 3.89Å; Y324-F385 WeakPolarHBondContact CD1-O 3.32Å; Y324-F385 HydrophobicContact CE1-CB 3.43Å; Y324-F385 VanDerWaalsContact CE1-CB 3.43Å; Y324-F385 HydrophobicContact CE2-CB 4.25Å; Y324-F385 HydrophobicContact CE2-CD2 4.33Å; Y324-F385 HydrophobicContact CG-CB 4.49Å; Y324-F385 PolarHBondContact N-O 2.7Å; Y324-F385 PolarHBondContact O-N 2.82Å; F326-F385 AromaticContact CD2-CD2 3.77Å; F326-F385 HydrophobicContact CD2-CD2 3.77Å; F326-F385 AromaticContact CD2-CE2 3.57Å; F326-F385 HydrophobicContact CD2-CE2 3.57Å; F326-F385 HydrophobicContact CE2-CD2 4.03Å; F326-F385 HydrophobicContact CE2-CE2 4.09Å; D382-F385 WeakPolarHBondContact O-CE2 3.32Å; D382-F385 WeakPolarHBondContact OD1-CZ 3.44Å; D382-F385 WeakPolarHBondContact OD2-CZ 3.3Å
386G74.1Confident83.4Confident18 Ų1827.6 Ų27.619%0.18614%0.136CC..  trans-74.7151.8-173.700000114.6E390G386-E390 WeakPolarHBondContact CA-OE1 3.4Å
387T72.2Confident83.9Confident6 Ų622.5 Ų22.54%0.03711%0.11CC..  trans-137.5161.4-176.564.90000111.6R80 G322 Y324 S389 E390 E562 F564R80-T387 PolarHBondContact NH2-O 3.33Å; G322-T387 VanDerWaalsContact C-OG1 3.24Å; G322-T387 VanDerWaalsContact O-CG2 3.27Å; G322-T387 WeakPolarHBondContact O-CG2 3.25Å; G322-T387 PolarHBondContact O-OG1 3.16Å; Y324-T387 HydrophobicContact CD1-CG2 3.46Å; Y324-T387 VanDerWaalsContact CD1-CG2 3.46Å; Y324-T387 HydrophobicContact CE1-CG2 3.92Å; T387-S389 PolarHBondContact O-N 2.72Å; T387-S389 VanDerWaalsContact O-N 3.17Å; T387-E390 PolarHBondContact N-OE1 3.02Å; T387-E390 WeakPolarHBondContact O-CB 3.32Å; T387-E390 WeakPolarHBondContact O-CG 3.36Å; T387-E390 PolarHBondContact O-N 3.39Å; T387-E562 WeakPolarHBondContact CB-OE2 3.32Å; T387-F564 HydrophobicContact CG2-CE1 3.87Å; T387-F564 HydrophobicContact CG2-CZ 3.76Å
388A67.4Low84.2Confident10 Ų1021.5 Ų21.58%0.08310%0.104CC..G310 helixtrans-61.7-25.9179.400000112.2E390 D391 F529 N560 E562A388-E390 PolarHBondContact O-N 3.45Å; A388-D391 PolarHBondContact O-N 3.05Å; A388-D391 VanDerWaalsContact O-N 3.09Å; A388-F529 WeakPolarHBondContact O-CE1 3.29Å; A388-N560 HydrophobicContact CB-CB 4.22Å; A388-E562 PolarHBondContact N-OE1 2.96Å
389S76Confident84.5Confident0 Ų015 Ų150%08%0.079CC..G310 helixtrans-62.2-20.6177.6-75.10000114.3T387 D391 V392 E562T387-S389 PolarHBondContact O-N 2.72Å; T387-S389 VanDerWaalsContact O-N 3.17Å; S389-D391 PolarHBondContact O-N 3.4Å; S389-V392 WeakPolarHBondContact O-CB 3.47Å; S389-V392 WeakPolarHBondContact O-CG2 3.42Å; S389-V392 PolarHBondContact O-N 3.49Å; S389-E562 WeakPolarHBondContact CA-OE1 3.42Å; S389-E562 VanDerWaalsContact CB-OE1 3.24Å; S389-E562 WeakPolarHBondContact CB-OE1 3.45Å; S389-E562 PolarHBondContact N-OE1 3.27Å; S389-E562 PolarHBondContact OG-OE1 3.08Å
390E76.3Confident84.7Confident38 Ų3814.8 Ų14.818%0.1788%0.078CC..G310 helixtrans-60.8-29.3171.5-65172.1-176.200112.2R80 E320 Q323 G386 T387 A388 V392R80-E390 IonicContact CZ-OE2 2.75Å; R80-E390 IonicContact NE-OE2 2.72Å; R80-E390 PolarHBondContact NE-OE2 3.26Å; R80-E390 IonicContact NH2-OE2 3.42Å; R80-E390 PolarHBondContact NH2-OE2 3.46Å; E320-E390 HydrophobicContact CB-CG 4.35Å; Q323-E390 HydrophobicContact CG-CG 4.23Å; Q323-E390 VanDerWaalsContact CG-OE1 3.22Å; Q323-E390 WeakPolarHBondContact CG-OE1 3.25Å; Q323-E390 PolarHBondContact NE2-OE1 2.77Å; G386-E390 WeakPolarHBondContact CA-OE1 3.4Å; T387-E390 PolarHBondContact N-OE1 3.02Å; T387-E390 WeakPolarHBondContact O-CB 3.32Å; T387-E390 WeakPolarHBondContact O-CG 3.36Å; T387-E390 PolarHBondContact O-N 3.39Å; A388-E390 PolarHBondContact O-N 3.45Å; E390-V392 PolarHBondContact O-N 2.85Å
391D78.8Confident84.8Confident15 Ų1513.7 Ų13.78%0.087%0.073CC..G310 helixtrans-81.4-0.1-176.6-61.9-51.9000112.6R80 R91 A388 S389 F393 Q394 Y395R80-D391 IonicContact CZ-OD2 3.95Å; R80-D391 IonicContact NH2-OD1 2.75Å; R80-D391 IonicContact NH2-OD2 2.65Å; R80-D391 PolarHBondContact NH2-OD2 3.33Å; R91-D391 IonicContact NH1-OD1 2.98Å; R91-D391 PolarHBondContact NH1-OD1 3.43Å; R91-D391 VanDerWaalsContact NH1-OD1 3.17Å; A388-D391 PolarHBondContact O-N 3.05Å; A388-D391 VanDerWaalsContact O-N 3.09Å; S389-D391 PolarHBondContact O-N 3.4Å; D391-F393 PolarHBondContact O-N 3.04Å; D391-Q394 VanDerWaalsContact O-CB 3.29Å; D391-Q394 WeakPolarHBondContact O-CB 3.4Å; D391-Q394 PolarHBondContact O-N 3.45Å; D391-Q394 PolarHBondContact OD1-NE2 3.45Å; D391-Y395 HydrophobicContact CB-CE2 4.3Å; D391-Y395 WeakPolarHBondContact O-CD2 3.17Å; D391-Y395 WeakPolarHBondContact O-CE2 3.36Å
392V84.6Confident84.9Confident0 Ų013.6 Ų13.60%07%0.073CC..G310 helixtrans-51.1-44.1179.8166.80000111.5S389 E390 Q394 Y395 A398 L400 I413 T430 F529S389-V392 WeakPolarHBondContact O-CB 3.47Å; S389-V392 WeakPolarHBondContact O-CG2 3.42Å; S389-V392 PolarHBondContact O-N 3.49Å; E390-V392 PolarHBondContact O-N 2.85Å; V392-Q394 PolarHBondContact O-N 2.72Å; V392-Q394 VanDerWaalsContact O-N 3.1Å; V392-Y395 PolarHBondContact O-N 3.27Å; V392-A398 HydrophobicContact CG1-CB 3.97Å; V392-L400 HydrophobicContact CG1-CD2 4.32Å; V392-L400 HydrophobicContact CG2-CD2 4.02Å; V392-I413 HydrophobicContact CG1-CG2 3.99Å; V392-I413 HydrophobicContact CG2-CD1 3.85Å; V392-T430 PolarHBondContact O-OG1 3.39Å; V392-F529 HydrophobicContact CB-CE2 4.27Å; V392-F529 HydrophobicContact CB-CZ 4.21Å; V392-F529 HydrophobicContact CG2-CD1 3.86Å; V392-F529 HydrophobicContact CG2-CD2 3.73Å; V392-F529 HydrophobicContact CG2-CE1 3.72Å; V392-F529 HydrophobicContact CG2-CE2 3.58Å; V392-F529 HydrophobicContact CG2-CG 3.86Å; V392-F529 HydrophobicContact CG2-CZ 3.57Å
393F83.9Confident84.9Confident34 Ų3414.1 Ų14.115%0.1498%0.078CC..G310 helixtrans-70-6.1-178.5-57.9-43.5000114.8V321 D391 I413 I417 K420 L428 T430V321-F393 HydrophobicContact CB-CE2 4.31Å; V321-F393 HydrophobicContact CG1-CE2 3.92Å; V321-F393 HydrophobicContact CG1-CZ 4.17Å; V321-F393 HydrophobicContact CG2-CD2 4.14Å; V321-F393 HydrophobicContact CG2-CE2 3.46Å; V321-F393 VanDerWaalsContact CG2-CE2 3.46Å; V321-F393 HydrophobicContact CG2-CZ 4.1Å; D391-F393 PolarHBondContact O-N 3.04Å; F393-I413 HydrophobicContact CE1-CG2 4.33Å; F393-I413 HydrophobicContact CZ-CG2 4.42Å; F393-I417 HydrophobicContact CD1-CG1 4.5Å; F393-I417 HydrophobicContact CE1-CD1 4Å; F393-I417 HydrophobicContact CE1-CG1 3.46Å; F393-I417 VanDerWaalsContact CE1-CG1 3.46Å; F393-I417 HydrophobicContact CZ-CG1 4.04Å; F393-K420 HydrophobicContact CE2-CD 4.46Å; F393-K420 HydrophobicContact CZ-CD 4.45Å; F393-L428 HydrophobicContact CB-CD1 4.35Å; F393-L428 HydrophobicContact CD1-CD1 3.75Å; F393-L428 HydrophobicContact CE1-CD1 4.41Å; F393-L428 HydrophobicContact CG-CD1 4.22Å; F393-T430 WeakPolarHBondContact CA-OG1 3.49Å
394Q83.4Confident84.9Confident45 Ų4515 Ų1521%0.219%0.088CC..G310 helixtrans-87.2-14.6176-57.7-178.418.400113R88 D391 V392R88-Q394 PolarHBondContact NH2-O 3.07Å; D391-Q394 VanDerWaalsContact O-CB 3.29Å; D391-Q394 WeakPolarHBondContact O-CB 3.4Å; D391-Q394 PolarHBondContact O-N 3.45Å; D391-Q394 PolarHBondContact OD1-NE2 3.45Å; V392-Q394 PolarHBondContact O-N 2.72Å; V392-Q394 VanDerWaalsContact O-N 3.1Å
395Y87.1Confident84.8Confident16 Ų1616.7 Ų16.76%0.06310%0.095CC..SBendtrans-95.7140.6-179.5-63.4-93.3000110.4D391 V392 V397 T430 V525 F529 Y558 N560D391-Y395 HydrophobicContact CB-CE2 4.3Å; D391-Y395 WeakPolarHBondContact O-CD2 3.17Å; D391-Y395 WeakPolarHBondContact O-CE2 3.36Å; V392-Y395 PolarHBondContact O-N 3.27Å; Y395-V397 VanDerWaalsContact C-N 3.29Å; Y395-T430 WeakPolarHBondContact O-CA 3.34Å; Y395-T430 WeakPolarHBondContact O-CB 3.28Å; Y395-T430 PolarHBondContact O-OG1 3.28Å; Y395-V525 HydrophobicContact CD1-CG1 3.8Å; Y395-V525 HydrophobicContact CE1-CG1 4.02Å; Y395-F529 AromaticContact CD2-CE2 4Å; Y395-F529 HydrophobicContact CD2-CE2 4Å; Y395-F529 AromaticContact CD2-CZ 3.66Å; Y395-F529 HydrophobicContact CD2-CZ 3.66Å; Y395-F529 HydrophobicContact CE2-CE1 4.48Å; Y395-F529 HydrophobicContact CE2-CE2 4.23Å; Y395-F529 AromaticContact CE2-CZ 3.54Å; Y395-F529 HydrophobicContact CE2-CZ 3.54Å; Y395-Y558 HydrophobicContact CE1-CD2 4.14Å; Y395-Y558 HydrophobicContact CE1-CG 4.15Å; Y395-N560 PolarHBondContact OH-ND2 3.44Å
396E88.8Confident84.9Confident69 Ų6917 Ų1732%0.32210%0.099SC..SBendtrans-66.7-37.1174.7-63.3-170.7145.800111.2K431 K432 S524E396-K431 PolarHBondContact O-N 3.47Å; E396-K431 IonicContact OE1-NZ 3.86Å; E396-K432 PolarHBondContact O-N 3.37Å; E396-S524 WeakPolarHBondContact OE2-CB 3.47Å; E396-S524 PolarHBondContact OE2-OG 3.05Å
397V92.4Very high85.6Confident2 Ų216.2 Ų16.21%0.0129%0.09CC..EExtended strand (participates in β ladder)trans-127.2128177.3-176.70000108.3Y395 K432 Y434 H521 V526 G527Y395-V397 VanDerWaalsContact C-N 3.29Å; V397-K432 WeakPolarHBondContact CA-O 3.39Å; V397-K432 HydrophobicContact CG1-CB 4.37Å; V397-K432 HydrophobicContact CG2-CB 4.35Å; V397-Y434 HydrophobicContact CG1-CD2 3.9Å; V397-Y434 HydrophobicContact CG1-CE2 3.78Å; V397-H521 HydrophobicContact CG2-CB 4.24Å; V397-V526 HydrophobicContact CB-CG1 4.33Å; V397-V526 HydrophobicContact CB-CG2 4.09Å; V397-V526 HydrophobicContact CG1-CG1 4.15Å; V397-V526 HydrophobicContact CG1-CG2 4.37Å; V397-V526 VanDerWaalsContact O-CA 3.32Å; V397-V526 WeakPolarHBondContact O-CA 3.25Å; V397-G527 PolarHBondContact O-N 3.01Å
398A93.6Very high86.4Confident0 Ų016.4 Ų16.40%09%0.091CC..EExtended strand (participates in β ladder)trans-114.8133.8176.500000110.9V392 L400 T430 K432 I433 Y434 G527 F529V392-A398 HydrophobicContact CG1-CB 3.97Å; A398-L400 HydrophobicContact CB-CD2 4.23Å; A398-T430 HydrophobicContact CB-CG2 4.49Å; A398-K432 PolarHBondContact N-O 3.13Å; A398-I433 HydrophobicContact CB-CG1 4.35Å; A398-I433 CarbonylContact O-C 3.41Å; A398-I433 WeakPolarHBondContact O-CA 3.11Å; A398-Y434 PolarHBondContact O-N 2.93Å; A398-G527 CarbonylContact C-O 3.58Å; A398-G527 WeakPolarHBondContact CA-O 3.4Å; A398-F529 HydrophobicContact CB-CE2 4.44Å
399V95Very high87.4Confident0 Ų015.9 Ų15.90%09%0.087CC..EExtended strand (participates in β ladder)trans-109.6109.4171.11800000107.2V401 Y434 Y436 I517 V526 G527 V528 F529V399-V401 HydrophobicContact CG1-CG2 4Å; V399-Y434 CarbonylContact C-O 3.54Å; V399-Y434 WeakPolarHBondContact CA-O 3.32Å; V399-Y434 HydrophobicContact CG2-CD2 4.39Å; V399-Y436 HydrophobicContact CG1-CD2 3.94Å; V399-Y436 HydrophobicContact CG1-CE2 3.84Å; V399-I517 HydrophobicContact CG2-CD1 3.87Å; V399-V526 HydrophobicContact CG2-CG1 3.7Å; V399-G527 PolarHBondContact N-O 2.74Å; V399-V528 HydrophobicContact CB-CB 4.42Å; V399-V528 HydrophobicContact CB-CG1 4.31Å; V399-V528 HydrophobicContact CB-CG2 4.13Å; V399-V528 HydrophobicContact CG1-CG1 4.28Å; V399-V528 HydrophobicContact CG2-CG2 4.37Å; V399-V528 CarbonylContact O-C 3.55Å; V399-V528 WeakPolarHBondContact O-CA 3.44Å; V399-F529 PolarHBondContact O-N 3.21Å
400L94.6Very high88.1Confident0 Ų015.9 Ų15.90%09%0.087CC..EExtended strand (participates in β ladder)trans-102.3118.7-178.2-53.9-177.1000108.2V392 A398 F410 I413 L414 I433 Y434 F435 Y436 F529V392-L400 HydrophobicContact CG1-CD2 4.32Å; V392-L400 HydrophobicContact CG2-CD2 4.02Å; A398-L400 HydrophobicContact CB-CD2 4.23Å; L400-F410 HydrophobicContact CB-CD1 3.72Å; L400-F410 HydrophobicContact CB-CD2 4.46Å; L400-F410 HydrophobicContact CB-CE1 3.88Å; L400-F410 HydrophobicContact CB-CG 4.03Å; L400-F410 HydrophobicContact CB-CZ 4.33Å; L400-F410 HydrophobicContact CD1-CB 4.38Å; L400-F410 HydrophobicContact CD1-CD1 3.89Å; L400-F410 HydrophobicContact CD1-CG 4.36Å; L400-F410 HydrophobicContact CD2-CD1 3.78Å; L400-F410 HydrophobicContact CD2-CE1 3.73Å; L400-F410 HydrophobicContact CG-CD1 3.98Å; L400-F410 HydrophobicContact CG-CE1 4.25Å; L400-I413 HydrophobicContact CD1-CG2 4.15Å; L400-L414 HydrophobicContact CD1-CD2 4.4Å; L400-I433 HydrophobicContact CD1-CG2 3.68Å; L400-I433 HydrophobicContact CG-CG2 3.92Å; L400-Y434 PolarHBondContact N-O 3.05Å; L400-F435 HydrophobicContact CB-CD2 3.88Å; L400-F435 CarbonylContact O-C 3.59Å; L400-F435 WeakPolarHBondContact O-CA 3.19Å; L400-Y436 PolarHBondContact O-N 3.35Å; L400-F529 HydrophobicContact CD2-CB 4.06Å; L400-F529 HydrophobicContact CD2-CD2 3.9Å; L400-F529 HydrophobicContact CD2-CG 4.24Å
401V94.7Very high88.7Confident0 Ų014.1 Ų14.10%08%0.079CC..EExtended strand (participates in β ladder)trans-120108.6-179.4-172.30000109.6V399 F410 Y436 I438 W510 F529 L530 C531 L536 L540V399-V401 HydrophobicContact CG1-CG2 4Å; V401-F410 VanDerWaalsContact C-CE2 3.44Å; V401-F410 VanDerWaalsContact O-CE2 3.27Å; V401-F410 WeakPolarHBondContact O-CE2 3.33Å; V401-Y436 CarbonylContact C-O 3.52Å; V401-Y436 WeakPolarHBondContact CA-O 3.25Å; V401-Y436 HydrophobicContact CG2-CD2 4.28Å; V401-I438 HydrophobicContact CG1-CD1 4.15Å; V401-W510 HydrophobicContact CB-CH2 4.48Å; V401-W510 HydrophobicContact CG1-CH2 3.68Å; V401-W510 HydrophobicContact CG1-CZ2 4.01Å; V401-W510 HydrophobicContact CG2-CH2 3.9Å; V401-W510 HydrophobicContact CG2-CZ3 4.23Å; V401-F529 PolarHBondContact N-O 3.39Å; V401-L530 HydrophobicContact CB-CD1 4Å; V401-L530 HydrophobicContact CG1-CD1 3.86Å; V401-L530 WeakPolarHBondContact O-CA 3.2Å; V401-L530 WeakPolarHBondContact O-CD1 3.26Å; V401-C531 PolarHBondContact O-N 2.79Å; V401-L536 HydrophobicContact CG1-CD2 4.1Å; V401-L540 HydrophobicContact CB-CD1 4.06Å; V401-L540 HydrophobicContact CG1-CD1 4.09Å; V401-L540 HydrophobicContact CG2-CD1 3.94Å
402G92.5Very high89.3Confident0 Ų013.5 Ų13.50%08%0.075CC..EExtended strand (participates in β ladder)trans-103.8136.5175.100000111.5Y436 W437 I438G402-Y436 PolarHBondContact N-O 3.15Å; G402-W437 WeakPolarHBondContact O-CA 3.36Å; G402-I438 PolarHBondContact O-N 3.25Å
403A90.4Very high89.6Confident21 Ų2113.5 Ų13.517%0.1748%0.075CC..EExtended strand (participates in β ladder)trans-119.6120.6171.500000111.4I405 G406 I438 C531 L536A403-I405 PolarHBondContact O-N 3.41Å; A403-G406 PolarHBondContact O-N 3.23Å; A403-I438 CarbonylContact C-O 3.57Å; A403-I438 VanDerWaalsContact CA-O 3.32Å; A403-I438 WeakPolarHBondContact CA-O 3.29Å; A403-C531 PolarHBondContact N-O 3.09Å; A403-L536 HydrophobicContact CB-CD2 4.35Å
404G87Confident89.9Confident20 Ų2012.1 Ų12.121%0.2067%0.07CC..G310 helixtrans58.4-129.4-176.100000112G406 W437 I438G404-G406 PolarHBondContact O-N 3.05Å; G404-W437 PolarHBondContact O-NE1 3.38Å; G404-W437 VanDerWaalsContact O-NE1 3.09Å; G404-I438 PolarHBondContact N-O 3.08Å
405I84.8Confident90.2Very high56 Ų5611.9 Ų11.929%0.2877%0.068SC..G310 helixtrans-65.8-13.8175.8-161.761.9000112.7V307 R356 A403 V407 T408 W447V307-I405 HydrophobicContact CG1-CD1 4.45Å; R356-I405 HydrophobicContact CB-CB 4.38Å; R356-I405 HydrophobicContact CB-CD1 4.18Å; R356-I405 HydrophobicContact CB-CG1 4.04Å; A403-I405 PolarHBondContact O-N 3.41Å; I405-V407 PolarHBondContact O-N 3.25Å; I405-T408 HydrophobicContact CD1-CG2 4.01Å; I405-T408 HydrophobicContact CG1-CG2 4.14Å; I405-T408 VanDerWaalsContact O-CG2 3.29Å; I405-T408 WeakPolarHBondContact O-CG2 3.45Å; I405-T408 PolarHBondContact O-N 2.97Å; I405-T408 PolarHBondContact O-OG1 3.01Å; I405-T408 VanDerWaalsContact O-OG1 3.13Å; I405-W447 HydrophobicContact CD1-CZ2 4.44Å
406G85.5Confident90.3Very high8 Ų811.2 Ų11.28%0.0827%0.066CC..G310 helixtrans-642.7175.700000114.9A403 G404 T408 P409 C531A403-G406 PolarHBondContact O-N 3.23Å; G404-G406 PolarHBondContact O-N 3.05Å; G406-T408 VanDerWaalsContact C-N 3.29Å; G406-P409 WeakPolarHBondContact O-CD 3.47Å; G406-C531 WeakPolarHBondContact CA-SG 3.4Å; G406-C531 WeakPolarHBondContact O-CB 3.32Å; G406-C531 PolarHBondContact O-SG 2.99Å
407V87.8Confident90.2Very high0 Ų08.2 Ų8.20%05%0.052CC..G310 helixtrans-73.1-20.8170.167.30000113.5I405 F410 A411 F435 W437 W447 F448I405-V407 PolarHBondContact O-N 3.25Å; V407-F410 WeakPolarHBondContact O-CA 3.28Å; V407-F410 WeakPolarHBondContact O-CB 3.45Å; V407-F410 PolarHBondContact O-N 3.41Å; V407-A411 PolarHBondContact O-N 2.89Å; V407-A411 VanDerWaalsContact O-N 3.17Å; V407-F435 HydrophobicContact CG2-CE2 3.98Å; V407-F435 HydrophobicContact CG2-CZ 3.51Å; V407-W437 HydrophobicContact CB-CD2 4.32Å; V407-W437 HydrophobicContact CB-CG 4.41Å; V407-W437 HydrophobicContact CB-CZ2 4.21Å; V407-W437 HydrophobicContact CG1-CH2 4.44Å; V407-W437 HydrophobicContact CG1-CZ2 3.64Å; V407-W437 HydrophobicContact CG2-CD2 4.09Å; V407-W437 HydrophobicContact CG2-CG 4.26Å; V407-W437 HydrophobicContact CG2-CZ2 4.47Å; V407-W447 HydrophobicContact CG1-CH2 4.02Å; V407-W447 HydrophobicContact CG1-CZ2 3.47Å; V407-W447 VanDerWaalsContact CG1-CZ2 3.47Å; V407-F448 HydrophobicContact CG2-CD1 4.29Å; V407-F448 HydrophobicContact CG2-CD2 4.06Å; V407-F448 HydrophobicContact CG2-CE1 3.97Å; V407-F448 HydrophobicContact CG2-CE2 3.7Å; V407-F448 HydrophobicContact CG2-CG 4.33Å; V407-F448 HydrophobicContact CG2-CZ 3.65Å
408T89.3Confident89.8Confident10 Ų1010.3 Ų10.36%0.0616%0.059CC..Hα-helixtrans-49.2-45.6-174.147.50000116.1T343 H354 I405 G406 F410 A411 W447T343-T408 HydrophobicContact CG2-CG2 3.65Å; H354-T408 HydrophobicContact CB-CG2 4.07Å; I405-T408 HydrophobicContact CD1-CG2 4.01Å; I405-T408 HydrophobicContact CG1-CG2 4.14Å; I405-T408 VanDerWaalsContact O-CG2 3.29Å; I405-T408 WeakPolarHBondContact O-CG2 3.45Å; I405-T408 PolarHBondContact O-N 2.97Å; I405-T408 PolarHBondContact O-OG1 3.01Å; I405-T408 VanDerWaalsContact O-OG1 3.13Å; G406-T408 VanDerWaalsContact C-N 3.29Å; T408-F410 VanDerWaalsContact C-N 3.25Å; T408-F410 PolarHBondContact O-N 2.99Å; T408-A411 VanDerWaalsContact O-CB 3.24Å; T408-A411 WeakPolarHBondContact O-CB 3.36Å; T408-A411 PolarHBondContact O-N 3.36Å; T408-W447 HydrophobicContact CG2-CH2 4.05Å; T408-W447 HydrophobicContact CG2-CZ2 4.21Å
409P89.3Confident89.5Confident0 Ų013.2 Ų13.20%07%0.071CC..Hα-helixtrans-61.7-35.3175.521-32.1000112.6T341 G406 A411 S412 I413 C531 F564T341-P409 HydrophobicContact CG2-CB 3.75Å; T341-P409 HydrophobicContact CG2-CG 4.37Å; G406-P409 WeakPolarHBondContact O-CD 3.47Å; P409-A411 VanDerWaalsContact C-N 3.29Å; P409-A411 PolarHBondContact O-N 3.31Å; P409-S412 PolarHBondContact O-N 2.85Å; P409-I413 WeakPolarHBondContact O-CG1 3.4Å; P409-I413 PolarHBondContact O-N 2.79Å; P409-C531 HydrophobicContact CG-CB 3.86Å; P409-F564 HydrophobicContact CG-CE2 4.28Å
410F90.6Very high89Confident0 Ų015.5 Ų15.50%08%0.081CC..Hα-helixtrans-74.2-22.9-178.5-52.7-52.5000112.1L400 V401 V407 T408 I413 L414 F435 F529 C531L400-F410 HydrophobicContact CB-CD1 3.72Å; L400-F410 HydrophobicContact CB-CD2 4.46Å; L400-F410 HydrophobicContact CB-CE1 3.88Å; L400-F410 HydrophobicContact CB-CG 4.03Å; L400-F410 HydrophobicContact CB-CZ 4.33Å; L400-F410 HydrophobicContact CD1-CB 4.38Å; L400-F410 HydrophobicContact CD1-CD1 3.89Å; L400-F410 HydrophobicContact CD1-CG 4.36Å; L400-F410 HydrophobicContact CD2-CD1 3.78Å; L400-F410 HydrophobicContact CD2-CE1 3.73Å; L400-F410 HydrophobicContact CG-CD1 3.98Å; L400-F410 HydrophobicContact CG-CE1 4.25Å; V401-F410 VanDerWaalsContact C-CE2 3.44Å; V401-F410 VanDerWaalsContact O-CE2 3.27Å; V401-F410 WeakPolarHBondContact O-CE2 3.33Å; V407-F410 WeakPolarHBondContact O-CA 3.28Å; V407-F410 WeakPolarHBondContact O-CB 3.45Å; V407-F410 PolarHBondContact O-N 3.41Å; T408-F410 VanDerWaalsContact C-N 3.25Å; T408-F410 PolarHBondContact O-N 2.99Å; F410-I413 HydrophobicContact CD1-CD1 3.72Å; F410-I413 HydrophobicContact CE1-CD1 4.29Å; F410-I413 PolarHBondContact O-N 3.36Å; F410-L414 WeakPolarHBondContact O-CB 3.35Å; F410-L414 VanDerWaalsContact O-CG 3.24Å; F410-L414 WeakPolarHBondContact O-CG 3.23Å; F410-L414 PolarHBondContact O-N 3.46Å; F410-F435 HydrophobicContact CB-CD2 4.45Å; F410-F435 HydrophobicContact CB-CE2 4Å; F410-F435 HydrophobicContact CD2-CE2 4.15Å; F410-F435 HydrophobicContact CG-CE2 4.34Å; F410-F529 HydrophobicContact CE1-CB 3.86Å; F410-F529 HydrophobicContact CZ-CB 4.13Å; F410-C531 HydrophobicContact CE2-CB 3.93Å; F410-C531 HydrophobicContact CZ-CB 4.16Å
411A89.8Confident88.3Confident1 Ų117.1 Ų17.11%0.0089%0.088CC..Hα-helixtrans-57-53169.500000111.3V407 T408 P409 I413 L414 K415 F448 L451V407-A411 PolarHBondContact O-N 2.89Å; V407-A411 VanDerWaalsContact O-N 3.17Å; T408-A411 VanDerWaalsContact O-CB 3.24Å; T408-A411 WeakPolarHBondContact O-CB 3.36Å; T408-A411 PolarHBondContact O-N 3.36Å; P409-A411 VanDerWaalsContact C-N 3.29Å; P409-A411 PolarHBondContact O-N 3.31Å; A411-I413 VanDerWaalsContact C-N 3.35Å; A411-I413 PolarHBondContact O-N 3.29Å; A411-L414 PolarHBondContact O-N 3.33Å; A411-K415 WeakPolarHBondContact O-CG 3.39Å; A411-K415 PolarHBondContact O-N 3.03Å; A411-F448 HydrophobicContact CB-CD2 4.28Å; A411-F448 HydrophobicContact CB-CE2 3.57Å; A411-L451 HydrophobicContact CB-CD2 4.25Å
412S91.1Very high87.7Confident1 Ų124.2 Ų24.21%0.00712%0.115CC..Hα-helixtrans-61.4-43.9179.4179.50000111.3L342 T343 S344 P409 K415 S416L342-S412 WeakPolarHBondContact O-CB 3.2Å; T343-S412 WeakPolarHBondContact O-CA 3.38Å; T343-S412 PolarHBondContact O-N 3.36Å; S344-S412 VanDerWaalsContact O-CB 3.29Å; S344-S412 WeakPolarHBondContact O-CB 3.36Å; S344-S412 PolarHBondContact O-OG 3.45Å; P409-S412 PolarHBondContact O-N 2.85Å; S412-K415 PolarHBondContact O-N 3.34Å; S412-S416 WeakPolarHBondContact O-CB 3.46Å; S412-S416 PolarHBondContact O-N 3.49Å
413I90.4Very high87.1Confident0 Ų029.1 Ų29.10%015%0.148CC..Hα-helixtrans-60-51.9177.2-69.3161.3000111.3V321 V392 F393 L400 P409 F410 A411 K415 S416 I417V321-I413 HydrophobicContact CB-CG1 4Å; V321-I413 HydrophobicContact CG2-CG1 4.23Å; V392-I413 HydrophobicContact CG1-CG2 3.99Å; V392-I413 HydrophobicContact CG2-CD1 3.85Å; F393-I413 HydrophobicContact CE1-CG2 4.33Å; F393-I413 HydrophobicContact CZ-CG2 4.42Å; L400-I413 HydrophobicContact CD1-CG2 4.15Å; P409-I413 WeakPolarHBondContact O-CG1 3.4Å; P409-I413 PolarHBondContact O-N 2.79Å; F410-I413 HydrophobicContact CD1-CD1 3.72Å; F410-I413 HydrophobicContact CE1-CD1 4.29Å; F410-I413 PolarHBondContact O-N 3.36Å; A411-I413 VanDerWaalsContact C-N 3.35Å; A411-I413 PolarHBondContact O-N 3.29Å; I413-K415 VanDerWaalsContact C-N 3.34Å; I413-K415 PolarHBondContact O-N 3.09Å; I413-S416 PolarHBondContact O-N 3.3Å; I413-I417 HydrophobicContact CG2-CD1 3.71Å; I413-I417 WeakPolarHBondContact O-CD1 3.41Å; I413-I417 VanDerWaalsContact O-CG1 3.25Å; I413-I417 WeakPolarHBondContact O-CG1 3.18Å; I413-I417 PolarHBondContact O-N 3.27Å
414L89.6Confident86.4Confident5 Ų531 Ų313%0.02616%0.163CC..Hα-helixtrans-64.2-38.7-176.9-70.7179.9000112.1L400 F410 A411 I417 W418 F435 F448 L452 L455 L468L400-L414 HydrophobicContact CD1-CD2 4.4Å; F410-L414 WeakPolarHBondContact O-CB 3.35Å; F410-L414 VanDerWaalsContact O-CG 3.24Å; F410-L414 WeakPolarHBondContact O-CG 3.23Å; F410-L414 PolarHBondContact O-N 3.46Å; A411-L414 PolarHBondContact O-N 3.33Å; L414-I417 HydrophobicContact CD2-CD1 4.28Å; L414-I417 PolarHBondContact O-N 3.04Å; L414-W418 PolarHBondContact O-N 3.47Å; L414-F435 HydrophobicContact CD1-CD1 4.35Å; L414-F435 HydrophobicContact CD1-CG 4.48Å; L414-F448 HydrophobicContact CD1-CE1 4.33Å; L414-F448 HydrophobicContact CD1-CZ 3.92Å; L414-L452 HydrophobicContact CD1-CD2 4.25Å; L414-L455 HydrophobicContact CB-CD1 3.7Å; L414-L455 HydrophobicContact CD1-CD1 4.32Å; L414-L468 HydrophobicContact CD2-CD1 3.74Å; L414-L468 HydrophobicContact CD2-CD2 4.2Å
415K89.7Confident85.8Confident41 Ų4132.6 Ų32.618%0.17817%0.167CC..Hα-helixtrans-63.7-47.1172.9-73.3178.9166.5-157.10112.5A345 E348 A411 S412 I413 I417 W418 Y419 L451A345-K415 HydrophobicContact CB-CB 3.67Å; A345-K415 HydrophobicContact CB-CD 4.48Å; E348-K415 IonicContact OE1-NZ 3.35Å; E348-K415 PolarHBondContact OE1-NZ 2.9Å; E348-K415 IonicContact OE2-NZ 3.71Å; E348-K415 PolarHBondContact OE2-NZ 3.08Å; A411-K415 WeakPolarHBondContact O-CG 3.39Å; A411-K415 PolarHBondContact O-N 3.03Å; S412-K415 PolarHBondContact O-N 3.34Å; I413-K415 VanDerWaalsContact C-N 3.34Å; I413-K415 PolarHBondContact O-N 3.09Å; K415-I417 VanDerWaalsContact C-N 3.27Å; K415-I417 PolarHBondContact O-N 3.24Å; K415-W418 WeakPolarHBondContact O-CB 3.44Å; K415-W418 PolarHBondContact O-N 2.94Å; K415-W418 VanDerWaalsContact O-N 3.08Å; K415-Y419 VanDerWaalsContact O-CD2 3.28Å; K415-Y419 WeakPolarHBondContact O-CD2 3.07Å; K415-Y419 PolarHBondContact O-N 3.34Å; K415-Y419 VanDerWaalsContact O-N 3.11Å; K415-L451 HydrophobicContact CD-CD1 4.34Å; K415-L451 HydrophobicContact CG-CD1 3.5Å; K415-L451 VanDerWaalsContact CG-CD1 3.5Å; K415-L451 HydrophobicContact CG-CD2 4.06Å; K415-L451 HydrophobicContact CG-CG 4.44Å
416S89.8Confident85Confident2 Ų238.7 Ų38.71%0.01419%0.194CC..Hα-helixtrans-62.4-36179.2176.30000112E347 S412 I413 W418 Y419 K420E347-S416 PolarHBondContact OE1-OG 3.07Å; E347-S416 WeakPolarHBondContact OE2-CA 3.48Å; E347-S416 WeakPolarHBondContact OE2-CB 3.48Å; E347-S416 PolarHBondContact OE2-OG 3.39Å; S412-S416 WeakPolarHBondContact O-CB 3.46Å; S412-S416 PolarHBondContact O-N 3.49Å; I413-S416 PolarHBondContact O-N 3.3Å; S416-W418 VanDerWaalsContact C-N 3.29Å; S416-W418 PolarHBondContact O-N 3.39Å; S416-Y419 PolarHBondContact O-N 2.82Å; S416-K420 WeakPolarHBondContact O-CB 3.18Å; S416-K420 VanDerWaalsContact O-CG 3.32Å; S416-K420 WeakPolarHBondContact O-CG 3.43Å; S416-K420 PolarHBondContact O-N 2.93Å
417I86.1Confident84.5Confident5 Ų545 Ų453%0.02623%0.226CC..Hα-helixtrans-57.9-44.1173-72.8158.3000111.6F393 I413 L414 K415 K420 F421 I433 F467F393-I417 HydrophobicContact CD1-CG1 4.5Å; F393-I417 HydrophobicContact CE1-CD1 4Å; F393-I417 HydrophobicContact CE1-CG1 3.46Å; F393-I417 VanDerWaalsContact CE1-CG1 3.46Å; F393-I417 HydrophobicContact CZ-CG1 4.04Å; I413-I417 HydrophobicContact CG2-CD1 3.71Å; I413-I417 WeakPolarHBondContact O-CD1 3.41Å; I413-I417 VanDerWaalsContact O-CG1 3.25Å; I413-I417 WeakPolarHBondContact O-CG1 3.18Å; I413-I417 PolarHBondContact O-N 3.27Å; L414-I417 HydrophobicContact CD2-CD1 4.28Å; L414-I417 PolarHBondContact O-N 3.04Å; K415-I417 VanDerWaalsContact C-N 3.27Å; K415-I417 PolarHBondContact O-N 3.24Å; I417-K420 PolarHBondContact O-N 3.18Å; I417-F421 HydrophobicContact CG2-CD2 3.57Å; I417-F421 HydrophobicContact CG2-CE2 3.35Å; I417-F421 HydrophobicContact CG2-CZ 4.37Å; I417-F421 VanDerWaalsContact O-CD2 3.27Å; I417-F421 WeakPolarHBondContact O-CD2 3.49Å; I417-F421 PolarHBondContact O-N 3.15Å; I417-I433 HydrophobicContact CD1-CD1 3.1Å; I417-I433 HydrophobicContact CG1-CD1 4.32Å; I417-F467 HydrophobicContact CG2-CD1 4.41Å; I417-F467 HydrophobicContact CG2-CE1 3.57Å; I417-F467 HydrophobicContact CG2-CZ 3.98Å
418W84.1Confident84.1Confident46 Ų4646.5 Ų46.517%0.17423%0.234CC..Hα-helixtrans-62-47177.7171.984.7000111.6L414 K415 S416 K420 F421 R422 L455 E458L414-W418 PolarHBondContact O-N 3.47Å; K415-W418 WeakPolarHBondContact O-CB 3.44Å; K415-W418 PolarHBondContact O-N 2.94Å; K415-W418 VanDerWaalsContact O-N 3.08Å; S416-W418 VanDerWaalsContact C-N 3.29Å; S416-W418 PolarHBondContact O-N 3.39Å; W418-K420 PolarHBondContact O-N 2.61Å; W418-F421 PolarHBondContact O-N 3Å; W418-F421 VanDerWaalsContact O-N 3.17Å; W418-R422 HydrophobicContact CD2-CG 4.48Å; W418-R422 HydrophobicContact CZ2-CG 4.48Å; W418-R422 PolarHBondContact O-N 3.11Å; W418-L455 HydrophobicContact CB-CD2 3.51Å; W418-L455 HydrophobicContact CG-CD2 4.03Å; W418-E458 PolarHBondContact NE1-OE2 3.44Å
419Y86.7Confident83.8Confident62 Ų6252 Ų5224%0.24326%0.257CS..Hα-helixtrans-58.3-46.3174.6-78-73.9000112.2A345 E347 E348 K415 S416 F421 R422 C423A345-Y419 HydrophobicContact CB-CD2 4.03Å; A345-Y419 HydrophobicContact CB-CE2 4.02Å; E347-Y419 HydrophobicContact CB-CD1 3.86Å; E347-Y419 HydrophobicContact CB-CD2 3.74Å; E347-Y419 HydrophobicContact CB-CE1 4.25Å; E347-Y419 HydrophobicContact CB-CE2 4.17Å; E347-Y419 HydrophobicContact CB-CG 3.58Å; E347-Y419 HydrophobicContact CG-CD2 4.3Å; E347-Y419 HydrophobicContact CG-CG 3.96Å; E348-Y419 HydrophobicContact CG-CE2 3.94Å; E348-Y419 WeakPolarHBondContact CG-OH 3.47Å; K415-Y419 VanDerWaalsContact O-CD2 3.28Å; K415-Y419 WeakPolarHBondContact O-CD2 3.07Å; K415-Y419 PolarHBondContact O-N 3.34Å; K415-Y419 VanDerWaalsContact O-N 3.11Å; S416-Y419 PolarHBondContact O-N 2.82Å; Y419-F421 VanDerWaalsContact C-N 3.27Å; Y419-F421 PolarHBondContact O-N 3.46Å; Y419-R422 PolarHBondContact O-N 2.99Å; Y419-C423 WeakPolarHBondContact O-CB 3.35Å; Y419-C423 PolarHBondContact O-N 3.38Å; Y419-C423 PolarHBondContact O-SG 3.14Å
420K84.9Confident83.7Confident48 Ų4852.2 Ų52.221%0.20926%0.258CS..Hα-helixtrans-60.5-35.2177.3-75.2175.8171.6-68.20112.8F393 S416 I417 W418 A424 D425 L428F393-K420 HydrophobicContact CE2-CD 4.46Å; F393-K420 HydrophobicContact CZ-CD 4.45Å; S416-K420 WeakPolarHBondContact O-CB 3.18Å; S416-K420 VanDerWaalsContact O-CG 3.32Å; S416-K420 WeakPolarHBondContact O-CG 3.43Å; S416-K420 PolarHBondContact O-N 2.93Å; I417-K420 PolarHBondContact O-N 3.18Å; W418-K420 PolarHBondContact O-N 2.61Å; K420-A424 PolarHBondContact O-N 2.9Å; K420-D425 HydrophobicContact CB-CB 4.19Å; K420-D425 HydrophobicContact CG-CB 4.45Å; K420-D425 IonicContact NZ-OD2 3.37Å; K420-D425 PolarHBondContact NZ-OD2 3.2Å; K420-D425 PolarHBondContact O-N 3.3Å; K420-L428 HydrophobicContact CD-CD1 4.35Å
421F80.4Confident83.6Confident33 Ų3359.1 Ų59.115%0.14529%0.288CS..Hα-helixtrans-71.9-41.5174.3-79.2-44.8000113.3I417 W418 Y419 C423 A424 L428 L462 K464 F467I417-F421 HydrophobicContact CG2-CD2 3.57Å; I417-F421 HydrophobicContact CG2-CE2 3.35Å; I417-F421 HydrophobicContact CG2-CZ 4.37Å; I417-F421 VanDerWaalsContact O-CD2 3.27Å; I417-F421 WeakPolarHBondContact O-CD2 3.49Å; I417-F421 PolarHBondContact O-N 3.15Å; W418-F421 PolarHBondContact O-N 3Å; W418-F421 VanDerWaalsContact O-N 3.17Å; Y419-F421 VanDerWaalsContact C-N 3.27Å; Y419-F421 PolarHBondContact O-N 3.46Å; F421-C423 VanDerWaalsContact C-N 3.27Å; F421-C423 PolarHBondContact O-N 2.77Å; F421-A424 PolarHBondContact O-N 3.26Å; F421-L428 HydrophobicContact CD1-CD2 4.4Å; F421-L428 HydrophobicContact CE1-CD2 3.73Å; F421-L428 HydrophobicContact CE2-CD2 4.49Å; F421-L428 HydrophobicContact CZ-CD2 3.8Å; F421-L462 HydrophobicContact CB-CD1 4.17Å; F421-K464 HydrophobicContact CD1-CD 4.13Å; F421-K464 HydrophobicContact CE1-CD 3.96Å; F421-K464 HydrophobicContact CE2-CD 4.48Å; F421-K464 HydrophobicContact CG-CD 4.48Å; F421-K464 HydrophobicContact CZ-CD 4.13Å; F421-F467 AromaticContact CE2-CD1 3.75Å; F421-F467 HydrophobicContact CE2-CD1 3.75Å; F421-F467 AromaticContact CE2-CD2 3.93Å; F421-F467 HydrophobicContact CE2-CD2 3.93Å; F421-F467 AromaticContact CE2-CE1 3.67Å; F421-F467 HydrophobicContact CE2-CE1 3.67Å; F421-F467 AromaticContact CE2-CE2 3.85Å; F421-F467 HydrophobicContact CE2-CE2 3.85Å; F421-F467 AromaticContact CE2-CG 3.88Å; F421-F467 HydrophobicContact CE2-CG 3.88Å; F421-F467 AromaticContact CE2-CZ 3.7Å; F421-F467 HydrophobicContact CE2-CZ 3.7Å; F421-F467 HydrophobicContact CZ-CD1 4.2Å; F421-F467 AromaticContact CZ-CD2 3.51Å; F421-F467 HydrophobicContact CZ-CD2 3.51Å; F421-F467 HydrophobicContact CZ-CE1 4.08Å; F421-F467 AromaticContact CZ-CE2 3.37Å; F421-F467 HydrophobicContact CZ-CE2 3.37Å; F421-F467 AromaticContact CZ-CG 3.93Å; F421-F467 HydrophobicContact CZ-CG 3.93Å; F421-F467 AromaticContact CZ-CZ 3.65Å; F421-F467 HydrophobicContact CZ-CZ 3.65Å
422R81.7Confident83.6Confident150 Ų15061 Ų6157%0.56630%0.296SS*.Hα-helixtrans-62.2-36.9175.1-73.6-169.664.5174.56.3112.3W418 Y419 A424W418-R422 HydrophobicContact CD2-CG 4.48Å; W418-R422 HydrophobicContact CZ2-CG 4.48Å; W418-R422 PolarHBondContact O-N 3.11Å; Y419-R422 PolarHBondContact O-N 2.99Å; R422-A424 VanDerWaalsContact C-N 3.3Å; R422-A424 PolarHBondContact O-N 2.82Å
423C81.1Confident83.7Confident103 Ų10361 Ų6170%0.69630%0.296SS*.THydrogen-bonded Turntrans-85.13.8177.9-63.70000114.3Y419 F421 D425Y419-C423 WeakPolarHBondContact O-CB 3.35Å; Y419-C423 PolarHBondContact O-N 3.38Å; Y419-C423 PolarHBondContact O-SG 3.14Å; F421-C423 VanDerWaalsContact C-N 3.27Å; F421-C423 PolarHBondContact O-N 2.77Å; C423-D425 PolarHBondContact O-N 3.13Å
424A74.4Confident83.8Confident61 Ų6162 Ų6250%0.50430%0.3SS..THydrogen-bonded Turntrans50.946.9-178.400000114.2K420 F421 R422 H426K420-A424 PolarHBondContact O-N 2.9Å; F421-A424 PolarHBondContact O-N 3.26Å; R422-A424 VanDerWaalsContact C-N 3.3Å; R422-A424 PolarHBondContact O-N 2.82Å; A424-H426 PolarHBondContact O-CD2 3.17Å; A424-H426 PolarHBondContact O-N 3.25Å
425D75.6Confident84Confident53 Ų5361.8 Ų61.828%0.28330%0.299SS..  trans-64.4103.2178.8-173.5-4.2000111.4K420 C423 N427 L428K420-D425 HydrophobicContact CB-CB 4.19Å; K420-D425 HydrophobicContact CG-CB 4.45Å; K420-D425 IonicContact NZ-OD2 3.37Å; K420-D425 PolarHBondContact NZ-OD2 3.2Å; K420-D425 PolarHBondContact O-N 3.3Å; C423-D425 PolarHBondContact O-N 3.13Å; D425-N427 PolarHBondContact O-N 2.95Å; D425-N427 WeakPolarHBondContact OD1-CB 3.17Å; D425-N427 PolarHBondContact OD1-N 2.93Å; D425-L428 PolarHBondContact O-N 3.44Å
426H67.7Low84.3Confident184 Ų18460 Ų6085%0.85229%0.291SS*.THydrogen-bonded Turntrans-67.9-11.3179.7-67.7-68.7000113.9A424A424-H426 PolarHBondContact O-CD2 3.17Å; A424-H426 PolarHBondContact O-N 3.25Å
427N73.9Confident84.4Confident139 Ų13959.9 Ų59.974%0.74329%0.29SS*.THydrogen-bonded Turntrans-90.2-3-179.2-64.9-46.1000113.7D425 K429D425-N427 PolarHBondContact O-N 2.95Å; D425-N427 WeakPolarHBondContact OD1-CB 3.17Å; D425-N427 PolarHBondContact OD1-N 2.93Å; N427-K429 PolarHBondContact O-N 3.47Å; N427-K429 VanDerWaalsContact O-N 3.11Å
428L79.4Confident84.7Confident32 Ų3260.6 Ų60.617%0.16829%0.294CS..  trans-68.7108.5179.5-173.867.1000111F393 K420 F421 D425F393-L428 HydrophobicContact CB-CD1 4.35Å; F393-L428 HydrophobicContact CD1-CD1 3.75Å; F393-L428 HydrophobicContact CE1-CD1 4.41Å; F393-L428 HydrophobicContact CG-CD1 4.22Å; K420-L428 HydrophobicContact CD-CD1 4.35Å; F421-L428 HydrophobicContact CD1-CD2 4.4Å; F421-L428 HydrophobicContact CE1-CD2 3.73Å; F421-L428 HydrophobicContact CE2-CD2 4.49Å; F421-L428 HydrophobicContact CZ-CD2 3.8Å; D425-L428 PolarHBondContact O-N 3.44Å
429K84.4Confident84.9Confident126 Ų12658.5 Ų58.555%0.54829%0.286SS..  trans-76.2-27177.2-64.5-175.8178.2-179.50113.1N427 K431N427-K429 PolarHBondContact O-N 3.47Å; N427-K429 VanDerWaalsContact O-N 3.11Å; K429-K431 PolarHBondContact O-N 2.88Å
430T87.4Confident84.9Confident5 Ų564.6 Ų64.63%0.03131%0.309CS..  trans-70.3124.6-178.2-52.10000110.6V392 F393 Y395 A398 I433 F467V392-T430 PolarHBondContact O-OG1 3.39Å; F393-T430 WeakPolarHBondContact CA-OG1 3.49Å; Y395-T430 WeakPolarHBondContact O-CA 3.34Å; Y395-T430 WeakPolarHBondContact O-CB 3.28Å; Y395-T430 PolarHBondContact O-OG1 3.28Å; A398-T430 HydrophobicContact CB-CG2 4.49Å; T430-I433 HydrophobicContact CG2-CD1 4.16Å; T430-I433 HydrophobicContact CG2-CG1 3.83Å; T430-F467 HydrophobicContact CG2-CZ 4.18Å; T430-F467 WeakPolarHBondContact O-CE2 3.35Å
431K86.5Confident84.7Confident144 Ų14466.3 Ų66.363%0.62632%0.318SS*.  trans-111.1-23.2-177.5-62.8176.2-175.8168.30112.9E396 K429 F467E396-K431 PolarHBondContact O-N 3.47Å; E396-K431 IonicContact OE1-NZ 3.86Å; K429-K431 PolarHBondContact O-N 2.88Å; K431-F467 VanDerWaalsContact C-CE2 3.45Å; K431-F467 WeakPolarHBondContact O-CD2 3.39Å; K431-F467 WeakPolarHBondContact O-CE2 3.35Å
432K90.8Very high84.6Confident41 Ų4168 Ų6818%0.17833%0.331CS..EExtended strand (participates in β ladder)trans-150.3138.3-176.3-173.874.6-179.3-167.50111E396 V397 A398 Y434 G466E396-K432 PolarHBondContact O-N 3.37Å; V397-K432 WeakPolarHBondContact CA-O 3.39Å; V397-K432 HydrophobicContact CG1-CB 4.37Å; V397-K432 HydrophobicContact CG2-CB 4.35Å; A398-K432 PolarHBondContact N-O 3.13Å; K432-Y434 HydrophobicContact CG-CD2 4.26Å; K432-Y434 HydrophobicContact CG-CE2 3.66Å; K432-G466 WeakPolarHBondContact CD-O 3.42Å; K432-G466 VanDerWaalsContact CE-O 3.29Å; K432-G466 WeakPolarHBondContact CE-O 3.46Å; K432-G466 PolarHBondContact NZ-O 3.42Å
433I92.3Very high84.2Confident0 Ų062 Ų620%032%0.315CS..EExtended strand (participates in β ladder)trans-125.1130.9175-59.5-173.7000110.3A398 L400 I417 T430 F467 L468 N469A398-I433 HydrophobicContact CB-CG1 4.35Å; A398-I433 CarbonylContact O-C 3.41Å; A398-I433 WeakPolarHBondContact O-CA 3.11Å; L400-I433 HydrophobicContact CD1-CG2 3.68Å; L400-I433 HydrophobicContact CG-CG2 3.92Å; I417-I433 HydrophobicContact CD1-CD1 3.1Å; I417-I433 HydrophobicContact CG1-CD1 4.32Å; T430-I433 HydrophobicContact CG2-CD1 4.16Å; T430-I433 HydrophobicContact CG2-CG1 3.83Å; I433-F467 HydrophobicContact CB-CE1 4.42Å; I433-F467 HydrophobicContact CD1-CE1 3.65Å; I433-F467 HydrophobicContact CD1-CZ 3.89Å; I433-F467 HydrophobicContact CG1-CE1 3.8Å; I433-F467 HydrophobicContact CG1-CZ 3.92Å; I433-F467 PolarHBondContact N-O 2.74Å; I433-L468 HydrophobicContact CB-CD1 4.05Å; I433-L468 HydrophobicContact CG2-CD1 3.82Å; I433-N469 PolarHBondContact O-N 2.61Å
434Y94.1Very high84Confident23 Ų2357.9 Ų57.99%0.0929%0.289CS..EExtended strand (participates in β ladder)trans-107.4112.6167.7-64-89.3000108.4V397 A398 V399 L400 K432 N469 I517 H521V397-Y434 HydrophobicContact CG1-CD2 3.9Å; V397-Y434 HydrophobicContact CG1-CE2 3.78Å; A398-Y434 PolarHBondContact O-N 2.93Å; V399-Y434 CarbonylContact C-O 3.54Å; V399-Y434 WeakPolarHBondContact CA-O 3.32Å; V399-Y434 HydrophobicContact CG2-CD2 4.39Å; L400-Y434 PolarHBondContact N-O 3.05Å; K432-Y434 HydrophobicContact CG-CD2 4.26Å; K432-Y434 HydrophobicContact CG-CE2 3.66Å; Y434-N469 CarbonylContact C-O 3.52Å; Y434-N469 WeakPolarHBondContact CA-O 3.49Å; Y434-N469 HydrophobicContact CD1-CB 4.08Å; Y434-N469 HydrophobicContact CE1-CB 4.35Å; Y434-I517 HydrophobicContact CD1-CD1 4.49Å; Y434-I517 HydrophobicContact CD1-CG1 4.4Å; Y434-I517 HydrophobicContact CD2-CD1 4.26Å; Y434-I517 HydrophobicContact CD2-CG1 4.23Å; Y434-I517 HydrophobicContact CE1-CG1 4.25Å; Y434-I517 HydrophobicContact CE2-CG1 4.08Å; Y434-I517 HydrophobicContact CE2-CG2 4.38Å; Y434-I517 HydrophobicContact CG-CD1 4.2Å; Y434-I517 HydrophobicContact CG-CG1 4.39Å; Y434-H521 AromaticContact CE2-NE2 3.59Å; Y434-H521 AromaticContact CZ-NE2 3.68Å; Y434-H521 PolarHBondContact OH-NE2 2.97Å
435F93.9Very high84.1Confident0 Ų055.2 Ų55.20%027%0.266CS..EExtended strand (participates in β ladder)trans-108.3118.8-178.4174.5-120.9000110.3L400 V407 F410 L414 W437 F448 L452 L468 N469 Y470 R471L400-F435 HydrophobicContact CB-CD2 3.88Å; L400-F435 CarbonylContact O-C 3.59Å; L400-F435 WeakPolarHBondContact O-CA 3.19Å; V407-F435 HydrophobicContact CG2-CE2 3.98Å; V407-F435 HydrophobicContact CG2-CZ 3.51Å; F410-F435 HydrophobicContact CB-CD2 4.45Å; F410-F435 HydrophobicContact CB-CE2 4Å; F410-F435 HydrophobicContact CD2-CE2 4.15Å; F410-F435 HydrophobicContact CG-CE2 4.34Å; L414-F435 HydrophobicContact CD1-CD1 4.35Å; L414-F435 HydrophobicContact CD1-CG 4.48Å; F435-W437 HydrophobicContact CE1-CB 3.95Å; F435-W437 HydrophobicContact CE2-CB 4.4Å; F435-W437 HydrophobicContact CZ-CB 3.68Å; F435-W437 HydrophobicContact CZ-CD2 4.47Å; F435-W437 HydrophobicContact CZ-CG 4.1Å; F435-F448 HydrophobicContact CE1-CD1 4.38Å; F435-F448 AromaticContact CE1-CE1 3.52Å; F435-F448 HydrophobicContact CE1-CE1 3.52Å; F435-F448 HydrophobicContact CE1-CZ 4.21Å; F435-F448 AromaticContact CZ-CE1 3.65Å; F435-F448 HydrophobicContact CZ-CE1 3.65Å; F435-F448 AromaticContact CZ-CZ 3.99Å; F435-F448 HydrophobicContact CZ-CZ 3.99Å; F435-L452 HydrophobicContact CD1-CD2 4.3Å; F435-L452 HydrophobicContact CE1-CD1 4.36Å; F435-L452 HydrophobicContact CE1-CD2 4.28Å; F435-L468 HydrophobicContact CB-CD1 4.03Å; F435-N469 PolarHBondContact N-O 3.35Å; F435-Y470 CarbonylContact O-C 3.59Å; F435-Y470 WeakPolarHBondContact O-CA 3.5Å; F435-R471 PolarHBondContact O-N 2.84Å
436Y94.2Very high84.1Confident2 Ų254.5 Ų54.51%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-113.7118.6178.5-63.3-94.9000108.5V399 L400 V401 G402 R471 F473 W510 E513V399-Y436 HydrophobicContact CG1-CD2 3.94Å; V399-Y436 HydrophobicContact CG1-CE2 3.84Å; L400-Y436 PolarHBondContact O-N 3.35Å; V401-Y436 CarbonylContact C-O 3.52Å; V401-Y436 WeakPolarHBondContact CA-O 3.25Å; V401-Y436 HydrophobicContact CG2-CD2 4.28Å; G402-Y436 PolarHBondContact N-O 3.15Å; Y436-R471 WeakPolarHBondContact CA-O 3.36Å; Y436-R471 HydrophobicContact CD1-CB 4.18Å; Y436-R471 HydrophobicContact CE1-CB 4.39Å; Y436-F473 AromaticContact CD1-CE2 3.78Å; Y436-F473 HydrophobicContact CD1-CE2 3.78Å; Y436-F473 HydrophobicContact CE1-CE2 4.4Å; Y436-W510 HydrophobicContact CD1-CH2 4.24Å; Y436-W510 HydrophobicContact CD1-CZ3 4Å; Y436-W510 HydrophobicContact CD2-CZ3 4.21Å; Y436-W510 HydrophobicContact CE1-CZ3 4.32Å; Y436-W510 HydrophobicContact CE2-CZ3 4.47Å; Y436-W510 HydrophobicContact CG-CH2 4.05Å; Y436-W510 AromaticContact CG-CZ3 3.97Å; Y436-W510 HydrophobicContact CG-CZ3 3.97Å; Y436-E513 HydrophobicContact CE1-CG 3.97Å; Y436-E513 WeakPolarHBondContact CE1-OE2 3.46Å; Y436-E513 PolarHBondContact OH-OE2 3.24Å
437W92.4Very high84.4Confident1 Ų147 Ų470%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-116.8121.9176.4-168.218.7000111.3G402 G404 V407 F435 C439 A444 F445 F448 R471 L472 F473G402-W437 WeakPolarHBondContact O-CA 3.36Å; G404-W437 PolarHBondContact O-NE1 3.38Å; G404-W437 VanDerWaalsContact O-NE1 3.09Å; V407-W437 HydrophobicContact CB-CD2 4.32Å; V407-W437 HydrophobicContact CB-CG 4.41Å; V407-W437 HydrophobicContact CB-CZ2 4.21Å; V407-W437 HydrophobicContact CG1-CH2 4.44Å; V407-W437 HydrophobicContact CG1-CZ2 3.64Å; V407-W437 HydrophobicContact CG2-CD2 4.09Å; V407-W437 HydrophobicContact CG2-CG 4.26Å; V407-W437 HydrophobicContact CG2-CZ2 4.47Å; F435-W437 HydrophobicContact CE1-CB 3.95Å; F435-W437 HydrophobicContact CE2-CB 4.4Å; F435-W437 HydrophobicContact CZ-CB 3.68Å; F435-W437 HydrophobicContact CZ-CD2 4.47Å; F435-W437 HydrophobicContact CZ-CG 4.1Å; W437-C439 PolarHBondContact NE1-SG 2.77Å; W437-A444 WeakPolarHBondContact CH2-O 3.27Å; W437-A444 WeakPolarHBondContact CZ2-O 3.15Å; W437-F445 AromaticContact CD2-CD1 3.94Å; W437-F445 HydrophobicContact CD2-CD1 3.94Å; W437-F445 AromaticContact CD2-CE1 3.82Å; W437-F445 HydrophobicContact CD2-CE1 3.82Å; W437-F445 AromaticContact CE3-CD1 3.39Å; W437-F445 HydrophobicContact CE3-CD1 3.39Å; W437-F445 AromaticContact CE3-CE1 3.66Å; W437-F445 HydrophobicContact CE3-CE1 3.66Å; W437-F445 HydrophobicContact CG-CE1 4.25Å; W437-F445 VanDerWaalsContact CH2-CA 3.48Å; W437-F445 HydrophobicContact CH2-CB 4.42Å; W437-F445 AromaticContact CH2-CD1 3.92Å; W437-F445 HydrophobicContact CH2-CD1 3.92Å; W437-F445 HydrophobicContact CH2-CG 4.49Å; W437-F445 HydrophobicContact CZ2-CD1 4.4Å; W437-F445 HydrophobicContact CZ3-CB 4.25Å; W437-F445 AromaticContact CZ3-CD1 3.35Å; W437-F445 HydrophobicContact CZ3-CD1 3.35Å; W437-F445 HydrophobicContact CZ3-CE1 4.1Å; W437-F445 HydrophobicContact CZ3-CG 4.22Å; W437-F448 HydrophobicContact CE3-CB 4.45Å; W437-F448 AromaticContact CE3-CD1 3.83Å; W437-F448 HydrophobicContact CE3-CD1 3.83Å; W437-F448 HydrophobicContact CE3-CG 4.4Å; W437-F448 HydrophobicContact CH2-CB 3.31Å; W437-F448 HydrophobicContact CH2-CD1 4.19Å; W437-F448 AromaticContact CH2-CG 3.94Å; W437-F448 HydrophobicContact CH2-CG 3.94Å; W437-F448 HydrophobicContact CZ2-CB 4.34Å; W437-F448 HydrophobicContact CZ3-CB 3.4Å; W437-F448 VanDerWaalsContact CZ3-CB 3.4Å; W437-F448 AromaticContact CZ3-CD1 3.55Å; W437-F448 HydrophobicContact CZ3-CD1 3.55Å; W437-F448 AromaticContact CZ3-CG 3.77Å; W437-F448 HydrophobicContact CZ3-CG 3.77Å; W437-R471 PolarHBondContact N-O 3.46Å; W437-L472 HydrophobicContact CB-CD2 3.88Å; W437-L472 HydrophobicContact CE3-CD2 3.9Å; W437-F473 PolarHBondContact O-N 2.92Å
438I92.4Very high84.6Confident19 Ų1940.3 Ų40.310%0.09719%0.193CC..EExtended strand (participates in β ladder)trans-117.3114.2-172.2-49.9169.8000108.9V401 G402 A403 G404 F473 T475 P508 W510 L536V401-I438 HydrophobicContact CG1-CD1 4.15Å; G402-I438 PolarHBondContact O-N 3.25Å; A403-I438 CarbonylContact C-O 3.57Å; A403-I438 VanDerWaalsContact CA-O 3.32Å; A403-I438 WeakPolarHBondContact CA-O 3.29Å; G404-I438 PolarHBondContact N-O 3.08Å; I438-F473 WeakPolarHBondContact CA-O 3.36Å; I438-F473 HydrophobicContact CB-CB 4.44Å; I438-F473 HydrophobicContact CG1-CB 4.16Å; I438-F473 HydrophobicContact CG2-CB 4.28Å; I438-T475 HydrophobicContact CG2-CG2 3.66Å; I438-P508 HydrophobicContact CD1-CG 3.78Å; I438-P508 HydrophobicContact CG1-CG 4.12Å; I438-W510 HydrophobicContact CD1-CH2 4.24Å; I438-W510 HydrophobicContact CD1-CZ2 3.74Å; I438-L536 HydrophobicContact CD1-CD2 3.9Å
439C88.8Confident84.5Confident3 Ų339.5 Ų39.52%0.0219%0.189CC..EExtended strand (participates in β ladder)trans-123.5155179.3-73.40000111.4W437 A444 F445 F473 T475W437-C439 PolarHBondContact NE1-SG 2.77Å; C439-A444 HydrophobicContact CB-CB 4.22Å; C439-F445 HydrophobicContact CB-CD2 4.44Å; C439-F445 HydrophobicContact CB-CE1 4.18Å; C439-F445 HydrophobicContact CB-CE2 3.7Å; C439-F445 HydrophobicContact CB-CZ 3.54Å; C439-F473 PolarHBondContact N-O 2.97Å; C439-T475 PolarHBondContact O-N 3.07Å; C439-T475 PolarHBondContact O-OG1 3.28Å
440R86.3Confident84.3Confident189 Ų18939.2 Ų39.271%0.71319%0.194SC*.SBendtrans-91.4-36.3170.1-72.2-178.467.1107.32111.7L474 T475 G476R440-L474 WeakPolarHBondContact O-CD1 3.49Å; R440-T475 WeakPolarHBondContact CG-OG1 3.46Å; R440-G476 VanDerWaalsContact O-CA 3.25Å; R440-G476 WeakPolarHBondContact O-CA 3.24Å; R440-G476 PolarHBondContact O-N 3.03Å
441E82Confident84.1Confident85 Ų8540.4 Ų40.440%0.39720%0.2SC..SBendtrans-103.8142.7-176.1-67.8159.4-134.500110.3S305 R356 A444S305-E441 PolarHBondContact OG-OE2 3.17Å; R356-E441 IonicContact CZ-OE1 3.88Å; R356-E441 IonicContact NH2-OE1 2.62Å; R356-E441 PolarHBondContact NH2-OE1 2.88Å; R356-E441 IonicContact NH2-OE2 2.82Å; R356-E441 PolarHBondContact NH2-OE2 2.99Å; E441-A444 HydrophobicContact CB-CB 4.49Å
442T76.7Confident84Confident69 Ų6933.6 Ų33.642%0.42317%0.17SC..SBendtrans-68.1-40176.148.70000112A444 F445 L474T442-A444 PolarHBondContact O-N 3.06Å; T442-A444 VanDerWaalsContact O-N 3.13Å; T442-F445 WeakPolarHBondContact O-CD2 3.41Å; T442-F445 PolarHBondContact O-N 3.06Å; T442-L474 HydrophobicContact CG2-CD1 4.08Å; T442-L474 HydrophobicContact CG2-CD2 3.68Å
443G74.6Confident83.7Confident23 Ų2334.6 Ų34.624%0.23718%0.18CC..G310 helixtrans-61-22.8179.700000114.3F445 S446G443-F445 PolarHBondContact O-N 3.24Å; G443-S446 WeakPolarHBondContact O-CB 3.47Å; G443-S446 PolarHBondContact O-N 3.46Å; G443-S446 PolarHBondContact O-OG 3.3Å
444A75.3Confident83.3Confident17 Ų1737.8 Ų37.814%0.1420%0.202CC..G310 helixtrans-65-23.5179.200000113.3W437 C439 E441 T442 W447W437-A444 WeakPolarHBondContact CH2-O 3.27Å; W437-A444 WeakPolarHBondContact CZ2-O 3.15Å; C439-A444 HydrophobicContact CB-CB 4.22Å; E441-A444 HydrophobicContact CB-CB 4.49Å; T442-A444 PolarHBondContact O-N 3.06Å; T442-A444 VanDerWaalsContact O-N 3.13Å; A444-W447 PolarHBondContact O-NE1 3.08Å
445F77.3Confident82.8Confident4 Ų437.1 Ų37.12%0.01820%0.2CC..G310 helixtrans-74.1-27.5179.3-68.2-72.5000113.1W437 C439 T442 G443 W447 F448 N449 L472 L474 T497W437-F445 AromaticContact CD2-CD1 3.94Å; W437-F445 HydrophobicContact CD2-CD1 3.94Å; W437-F445 AromaticContact CD2-CE1 3.82Å; W437-F445 HydrophobicContact CD2-CE1 3.82Å; W437-F445 AromaticContact CE3-CD1 3.39Å; W437-F445 HydrophobicContact CE3-CD1 3.39Å; W437-F445 AromaticContact CE3-CE1 3.66Å; W437-F445 HydrophobicContact CE3-CE1 3.66Å; W437-F445 HydrophobicContact CG-CE1 4.25Å; W437-F445 VanDerWaalsContact CH2-CA 3.48Å; W437-F445 HydrophobicContact CH2-CB 4.42Å; W437-F445 AromaticContact CH2-CD1 3.92Å; W437-F445 HydrophobicContact CH2-CD1 3.92Å; W437-F445 HydrophobicContact CH2-CG 4.49Å; W437-F445 HydrophobicContact CZ2-CD1 4.4Å; W437-F445 HydrophobicContact CZ3-CB 4.25Å; W437-F445 AromaticContact CZ3-CD1 3.35Å; W437-F445 HydrophobicContact CZ3-CD1 3.35Å; W437-F445 HydrophobicContact CZ3-CE1 4.1Å; W437-F445 HydrophobicContact CZ3-CG 4.22Å; C439-F445 HydrophobicContact CB-CD2 4.44Å; C439-F445 HydrophobicContact CB-CE1 4.18Å; C439-F445 HydrophobicContact CB-CE2 3.7Å; C439-F445 HydrophobicContact CB-CZ 3.54Å; T442-F445 WeakPolarHBondContact O-CD2 3.41Å; T442-F445 PolarHBondContact O-N 3.06Å; G443-F445 PolarHBondContact O-N 3.24Å; F445-W447 PolarHBondContact O-N 3.04Å; F445-F448 PolarHBondContact O-N 3.08Å; F445-N449 PolarHBondContact O-N 2.73Å; F445-N449 VanDerWaalsContact O-N 3.09Å; F445-N449 PolarHBondContact O-ND2 3.15Å; F445-N449 PolarHBondContact O-OD1 2.64Å; F445-L472 HydrophobicContact CD1-CD1 4.18Å; F445-L472 HydrophobicContact CD1-CD2 4.31Å; F445-L472 HydrophobicContact CE1-CB 3.97Å; F445-L472 HydrophobicContact CE1-CD1 4.34Å; F445-L472 HydrophobicContact CE1-CD2 4.02Å; F445-L472 HydrophobicContact CE1-CG 4.33Å; F445-L472 HydrophobicContact CZ-CB 4.34Å; F445-L474 HydrophobicContact CE2-CD1 4.13Å; F445-T497 HydrophobicContact CB-CG2 3.97Å; F445-T497 HydrophobicContact CD2-CG2 4.44Å; F445-T497 HydrophobicContact CG-CG2 4.09Å
446S75.4Confident82.2Confident38 Ų3839.1 Ų39.127%0.26621%0.209SC..Hα-helixtrans-51.9-54.8-168.657.10000114.7P304 G443 F448 N449P304-S446 WeakPolarHBondContact CB-OG 3.48Å; P304-S446 WeakPolarHBondContact CG-OG 3.38Å; G443-S446 WeakPolarHBondContact O-CB 3.47Å; G443-S446 PolarHBondContact O-N 3.46Å; G443-S446 PolarHBondContact O-OG 3.3Å; S446-F448 PolarHBondContact O-N 3.39Å; S446-N449 PolarHBondContact O-N 3.29Å
447W74.1Confident81.7Confident26 Ų2644.3 Ų44.310%0.09823%0.234CC..Hα-helixtrans-68.3-20-173.873.8-89.5000114.4H303 H354 I405 V407 T408 A444 F445H303-W447 HydrophobicContact CB-CB 4.03Å; H303-W447 WeakPolarHBondContact ND1-CB 3.19Å; H354-W447 AromaticContact CD2-CD2 3.86Å; H354-W447 AromaticContact CD2-CE3 3.47Å; H354-W447 VanDerWaalsContact CD2-CE3 3.47Å; H354-W447 AromaticContact CD2-CZ3 3.65Å; H354-W447 AromaticContact CE1-CZ3 3.91Å; H354-W447 AromaticContact NE2-CE3 3.37Å; H354-W447 AromaticContact NE2-CZ3 3.58Å; I405-W447 HydrophobicContact CD1-CZ2 4.44Å; V407-W447 HydrophobicContact CG1-CH2 4.02Å; V407-W447 HydrophobicContact CG1-CZ2 3.47Å; V407-W447 VanDerWaalsContact CG1-CZ2 3.47Å; T408-W447 HydrophobicContact CG2-CH2 4.05Å; T408-W447 HydrophobicContact CG2-CZ2 4.21Å; A444-W447 PolarHBondContact O-NE1 3.08Å; F445-W447 PolarHBondContact O-N 3.04Å
448F77.7Confident81.2Confident0 Ų046.9 Ų46.90%025%0.246CC..Hα-helixtrans-101.6-16.2-177.7-163.7-99.7000112.6V407 A411 L414 F435 W437 F445 S446 D450 L451 L452V407-F448 HydrophobicContact CG2-CD1 4.29Å; V407-F448 HydrophobicContact CG2-CD2 4.06Å; V407-F448 HydrophobicContact CG2-CE1 3.97Å; V407-F448 HydrophobicContact CG2-CE2 3.7Å; V407-F448 HydrophobicContact CG2-CG 4.33Å; V407-F448 HydrophobicContact CG2-CZ 3.65Å; A411-F448 HydrophobicContact CB-CD2 4.28Å; A411-F448 HydrophobicContact CB-CE2 3.57Å; L414-F448 HydrophobicContact CD1-CE1 4.33Å; L414-F448 HydrophobicContact CD1-CZ 3.92Å; F435-F448 HydrophobicContact CE1-CD1 4.38Å; F435-F448 AromaticContact CE1-CE1 3.52Å; F435-F448 HydrophobicContact CE1-CE1 3.52Å; F435-F448 HydrophobicContact CE1-CZ 4.21Å; F435-F448 AromaticContact CZ-CE1 3.65Å; F435-F448 HydrophobicContact CZ-CE1 3.65Å; F435-F448 AromaticContact CZ-CZ 3.99Å; F435-F448 HydrophobicContact CZ-CZ 3.99Å; W437-F448 HydrophobicContact CE3-CB 4.45Å; W437-F448 AromaticContact CE3-CD1 3.83Å; W437-F448 HydrophobicContact CE3-CD1 3.83Å; W437-F448 HydrophobicContact CE3-CG 4.4Å; W437-F448 HydrophobicContact CH2-CB 3.31Å; W437-F448 HydrophobicContact CH2-CD1 4.19Å; W437-F448 AromaticContact CH2-CG 3.94Å; W437-F448 HydrophobicContact CH2-CG 3.94Å; W437-F448 HydrophobicContact CZ2-CB 4.34Å; W437-F448 HydrophobicContact CZ3-CB 3.4Å; W437-F448 VanDerWaalsContact CZ3-CB 3.4Å; W437-F448 AromaticContact CZ3-CD1 3.55Å; W437-F448 HydrophobicContact CZ3-CD1 3.55Å; W437-F448 AromaticContact CZ3-CG 3.77Å; W437-F448 HydrophobicContact CZ3-CG 3.77Å; F445-F448 PolarHBondContact O-N 3.08Å; S446-F448 PolarHBondContact O-N 3.39Å; F448-D450 VanDerWaalsContact C-N 3.3Å; F448-D450 PolarHBondContact O-N 2.71Å; F448-L451 HydrophobicContact CD2-CD2 4.15Å; F448-L451 HydrophobicContact CE2-CD2 3.7Å; F448-L451 HydrophobicContact CZ-CD2 4.08Å; F448-L451 WeakPolarHBondContact O-CB 3.03Å; F448-L451 PolarHBondContact O-N 3.45Å; F448-L452 HydrophobicContact CD1-CD1 3.67Å; F448-L452 HydrophobicContact CD1-CD2 4.34Å; F448-L452 HydrophobicContact CD1-CG 3.65Å; F448-L452 HydrophobicContact CE1-CD1 3.84Å; F448-L452 HydrophobicContact CE1-CD2 3.76Å; F448-L452 HydrophobicContact CE1-CG 3.59Å; F448-L452 PolarHBondContact O-N 2.64Å
449N78.9Confident80.6Confident14 Ų1446.6 Ų46.68%0.07524%0.244CC..Hα-helixtrans-62.4-38.1178.8-73.1-13.5000111.7F445 S446 L451 L452 T453 T497F445-N449 PolarHBondContact O-N 2.73Å; F445-N449 VanDerWaalsContact O-N 3.09Å; F445-N449 PolarHBondContact O-ND2 3.15Å; F445-N449 PolarHBondContact O-OD1 2.64Å; S446-N449 PolarHBondContact O-N 3.29Å; N449-L451 VanDerWaalsContact C-N 3.28Å; N449-L451 PolarHBondContact O-N 3.47Å; N449-L452 PolarHBondContact O-N 3.14Å; N449-T453 WeakPolarHBondContact O-CB 3.34Å; N449-T453 PolarHBondContact O-N 3.02Å; N449-T453 PolarHBondContact O-OG1 3.28Å; N449-T497 WeakPolarHBondContact ND2-CA 3.27Å; N449-T497 PolarHBondContact ND2-O 3.39Å
450D79.2Confident80.4Confident120 Ų12051 Ų5164%0.64226%0.264SS*.Hα-helixtrans-61.7-40.3178.4-65.5-18.2000111.1F448 S454F448-D450 VanDerWaalsContact C-N 3.3Å; F448-D450 PolarHBondContact O-N 2.71Å; D450-S454 WeakPolarHBondContact O-CB 3.18Å; D450-S454 PolarHBondContact O-N 2.05Å; D450-S454 PolarHBondContact O-OG 3.48Å
451L83.8Confident80.3Confident30 Ų3048 Ų4816%0.15726%0.259CS..Hα-helixtrans-65.3-47.5175.2176.862.2000111.3A411 K415 F448 N449 T453 S454 L455A411-L451 HydrophobicContact CB-CD2 4.25Å; K415-L451 HydrophobicContact CD-CD1 4.34Å; K415-L451 HydrophobicContact CG-CD1 3.5Å; K415-L451 VanDerWaalsContact CG-CD1 3.5Å; K415-L451 HydrophobicContact CG-CD2 4.06Å; K415-L451 HydrophobicContact CG-CG 4.44Å; F448-L451 HydrophobicContact CD2-CD2 4.15Å; F448-L451 HydrophobicContact CE2-CD2 3.7Å; F448-L451 HydrophobicContact CZ-CD2 4.08Å; F448-L451 WeakPolarHBondContact O-CB 3.03Å; F448-L451 PolarHBondContact O-N 3.45Å; N449-L451 VanDerWaalsContact C-N 3.28Å; N449-L451 PolarHBondContact O-N 3.47Å; L451-T453 PolarHBondContact O-N 2.94Å; L451-S454 PolarHBondContact O-N 2.97Å; L451-L455 HydrophobicContact CD1-CD1 3.88Å; L451-L455 HydrophobicContact CD1-CG 4.07Å; L451-L455 HydrophobicContact CG-CD1 3.83Å; L451-L455 HydrophobicContact CG-CG 4.43Å; L451-L455 WeakPolarHBondContact O-CB 3.49Å; L451-L455 VanDerWaalsContact O-CG 3.22Å; L451-L455 WeakPolarHBondContact O-CG 3.37Å; L451-L455 PolarHBondContact O-N 3.11Å
452L84.4Confident80.2Confident1 Ų147.8 Ų47.81%0.00526%0.26CS..Hα-helixtrans-63.6-41.2179.7-75.1177.9000112.5L414 F435 F448 N449 L455 E456 Y470 L472 L499L414-L452 HydrophobicContact CD1-CD2 4.25Å; F435-L452 HydrophobicContact CD1-CD2 4.3Å; F435-L452 HydrophobicContact CE1-CD1 4.36Å; F435-L452 HydrophobicContact CE1-CD2 4.28Å; F448-L452 HydrophobicContact CD1-CD1 3.67Å; F448-L452 HydrophobicContact CD1-CD2 4.34Å; F448-L452 HydrophobicContact CD1-CG 3.65Å; F448-L452 HydrophobicContact CE1-CD1 3.84Å; F448-L452 HydrophobicContact CE1-CD2 3.76Å; F448-L452 HydrophobicContact CE1-CG 3.59Å; F448-L452 PolarHBondContact O-N 2.64Å; N449-L452 PolarHBondContact O-N 3.14Å; L452-L455 PolarHBondContact O-N 3.38Å; L452-E456 WeakPolarHBondContact O-CB 3.49Å; L452-E456 PolarHBondContact O-N 3.28Å; L452-Y470 HydrophobicContact CD1-CD2 4.11Å; L452-Y470 HydrophobicContact CD1-CE2 4.29Å; L452-Y470 HydrophobicContact CD2-CD1 4.48Å; L452-Y470 HydrophobicContact CD2-CG 4.37Å; L452-L472 HydrophobicContact CD1-CD2 4.33Å; L452-L499 HydrophobicContact CB-CD1 4.29Å; L452-L499 HydrophobicContact CB-CD2 3.94Å; L452-L499 HydrophobicContact CD1-CD1 3.94Å
453T83.8Confident80.5Confident63 Ų6347.6 Ų47.639%0.38727%0.271SS..Hα-helixtrans-61.6-49.2177.3-54.70000110.5N449 L451 L455 E456 Q457 L499N449-T453 WeakPolarHBondContact O-CB 3.34Å; N449-T453 PolarHBondContact O-N 3.02Å; N449-T453 PolarHBondContact O-OG1 3.28Å; L451-T453 PolarHBondContact O-N 2.94Å; T453-L455 VanDerWaalsContact C-N 3.33Å; T453-L455 PolarHBondContact O-N 3.36Å; T453-E456 PolarHBondContact O-N 2.86Å; T453-Q457 PolarHBondContact O-N 3.47Å; T453-Q457 VanDerWaalsContact O-N 3.07Å; T453-L499 WeakPolarHBondContact OG1-CD2 3.18Å
454S83.8Confident80.7Confident67 Ų6750.4 Ų50.447%0.46928%0.277SS..Hα-helixtrans-61.6-43.3179-55.60000111.3D450 L451 E458D450-S454 WeakPolarHBondContact O-CB 3.18Å; D450-S454 PolarHBondContact O-N 2.05Å; D450-S454 PolarHBondContact O-OG 3.48Å; L451-S454 PolarHBondContact O-N 2.97Å; S454-E458 WeakPolarHBondContact O-CB 3.26Å; S454-E458 WeakPolarHBondContact O-CG 3.3Å; S454-E458 PolarHBondContact O-N 2.93Å; S454-E458 VanDerWaalsContact O-N 3.13Å
455L83.3Confident80.7Confident8 Ų854.6 Ų54.64%0.04230%0.3CS..Hα-helixtrans-63.4-44.3176.8-75.5169.8000112.2L414 W418 L451 L452 T453 M459L414-L455 HydrophobicContact CB-CD1 3.7Å; L414-L455 HydrophobicContact CD1-CD1 4.32Å; W418-L455 HydrophobicContact CB-CD2 3.51Å; W418-L455 HydrophobicContact CG-CD2 4.03Å; L451-L455 HydrophobicContact CD1-CD1 3.88Å; L451-L455 HydrophobicContact CD1-CG 4.07Å; L451-L455 HydrophobicContact CG-CD1 3.83Å; L451-L455 HydrophobicContact CG-CG 4.43Å; L451-L455 WeakPolarHBondContact O-CB 3.49Å; L451-L455 VanDerWaalsContact O-CG 3.22Å; L451-L455 WeakPolarHBondContact O-CG 3.37Å; L451-L455 PolarHBondContact O-N 3.11Å; L452-L455 PolarHBondContact O-N 3.38Å; T453-L455 VanDerWaalsContact C-N 3.33Å; T453-L455 PolarHBondContact O-N 3.36Å; L455-M459 VanDerWaalsContact O-CB 3.23Å; L455-M459 WeakPolarHBondContact O-CB 3.47Å; L455-M459 WeakPolarHBondContact O-CG 3.22Å; L455-M459 PolarHBondContact O-N 3.11Å
456E82.1Confident80.8Confident42 Ų4256.6 Ų56.620%0.19632%0.323CS..Hα-helixtrans-63.6-44.7-178.4-174.3167.6-160.600111.7L452 T453 M459 E460 Y470L452-E456 WeakPolarHBondContact O-CB 3.49Å; L452-E456 PolarHBondContact O-N 3.28Å; T453-E456 PolarHBondContact O-N 2.86Å; E456-M459 PolarHBondContact O-N 2.92Å; E456-E460 WeakPolarHBondContact O-CB 3.4Å; E456-E460 PolarHBondContact O-N 3.43Å; E456-E460 VanDerWaalsContact O-N 3.07Å; E456-Y470 PolarHBondContact OE2-OH 3.48Å
457Q83.4Confident81.3Confident111 Ų11155.5 Ų55.552%0.51931%0.313SS..Hα-helixtrans-61.3-50.5177.4-177-179.6-19.200111.7T453 M459 E460 E461T453-Q457 PolarHBondContact O-N 3.47Å; T453-Q457 VanDerWaalsContact O-N 3.07Å; Q457-M459 VanDerWaalsContact C-N 3.32Å; Q457-M459 PolarHBondContact O-N 3.2Å; Q457-E460 WeakPolarHBondContact O-CB 3.04Å; Q457-E460 PolarHBondContact O-N 3.38Å; Q457-E460 VanDerWaalsContact O-N 3.15Å; Q457-E461 PolarHBondContact NE2-OE1 3.44Å; Q457-E461 WeakPolarHBondContact O-CG 3.36Å; Q457-E461 PolarHBondContact O-N 2.86Å
458E81.9Confident82Confident55 Ų5555.3 Ų55.326%0.25731%0.314SS..Hα-helixtrans-64.8-36.6-178.4-72.1-88.4173.100112.3W418 S454 E460 E461 L462W418-E458 PolarHBondContact NE1-OE2 3.44Å; S454-E458 WeakPolarHBondContact O-CB 3.26Å; S454-E458 WeakPolarHBondContact O-CG 3.3Å; S454-E458 PolarHBondContact O-N 2.93Å; S454-E458 VanDerWaalsContact O-N 3.13Å; E458-E460 VanDerWaalsContact C-N 3.3Å; E458-E460 PolarHBondContact O-N 3.36Å; E458-E461 PolarHBondContact O-N 3.31Å; E458-L462 WeakPolarHBondContact O-CG 3.26Å; E458-L462 PolarHBondContact O-N 3.36Å
459M80.6Confident82.6Confident14 Ų1457.6 Ų57.67%0.06933%0.326CS..Hα-helixtrans-69.7-29.9176.3-72.5178.97500112.7L455 E456 Q457 G463 K464 F467 L468L455-M459 VanDerWaalsContact O-CB 3.23Å; L455-M459 WeakPolarHBondContact O-CB 3.47Å; L455-M459 WeakPolarHBondContact O-CG 3.22Å; L455-M459 PolarHBondContact O-N 3.11Å; E456-M459 PolarHBondContact O-N 2.92Å; Q457-M459 VanDerWaalsContact C-N 3.32Å; Q457-M459 PolarHBondContact O-N 3.2Å; M459-G463 PolarHBondContact O-N 3.4Å; M459-K464 CarbonylContact O-C 3.59Å; M459-K464 WeakPolarHBondContact O-CA 3.02Å; M459-K464 PolarHBondContact O-N 3.27Å; M459-F467 HydrophobicContact CE-CB 3.39Å; M459-F467 HydrophobicContact CE-CD1 3.42Å; M459-F467 VanDerWaalsContact CE-CD1 3.42Å; M459-F467 HydrophobicContact CE-CG 3.79Å; M459-L468 HydrophobicContact CE-CB 3.66Å; M459-L468 HydrophobicContact SD-CB 3.78Å; M459-L468 HydrophobicContact SD-CD2 4.22Å
460E83.1Confident83.1Confident95 Ų9557.1 Ų57.144%0.44432%0.323SS..Hα-helixtrans-68.1-44.2172-170.8167.6-161.800110.9E456 Q457 E458 L462 G463 V465 K500E456-E460 WeakPolarHBondContact O-CB 3.4Å; E456-E460 PolarHBondContact O-N 3.43Å; E456-E460 VanDerWaalsContact O-N 3.07Å; Q457-E460 WeakPolarHBondContact O-CB 3.04Å; Q457-E460 PolarHBondContact O-N 3.38Å; Q457-E460 VanDerWaalsContact O-N 3.15Å; E458-E460 VanDerWaalsContact C-N 3.3Å; E458-E460 PolarHBondContact O-N 3.36Å; E460-L462 VanDerWaalsContact C-N 3.3Å; E460-L462 PolarHBondContact O-N 2.77Å; E460-G463 PolarHBondContact O-N 2.69Å; E460-V465 HydrophobicContact CG-CG2 4.3Å; E460-K500 IonicContact OE1-NZ 2.94Å; E460-K500 IonicContact OE2-NZ 3.64Å; E460-K500 PolarHBondContact OE2-NZ 2.87Å
461E84.3Confident83.6Confident127 Ų12755.6 Ų55.659%0.59331%0.308SS*.Hα-helixtrans-60.2-37.4174.9-69.2175.9-165.600112.6Q457 E458 G463Q457-E461 PolarHBondContact NE2-OE1 3.44Å; Q457-E461 WeakPolarHBondContact O-CG 3.36Å; Q457-E461 PolarHBondContact O-N 2.86Å; E458-E461 PolarHBondContact O-N 3.31Å; E461-G463 PolarHBondContact O-N 2.99Å
462L81.3Confident83.9Confident80 Ų8054.1 Ų54.142%0.41930%0.301SS..THydrogen-bonded Turntrans-791.9175.9-67.6172.6000114.1F421 E458 E460 K464F421-L462 HydrophobicContact CB-CD1 4.17Å; E458-L462 WeakPolarHBondContact O-CG 3.26Å; E458-L462 PolarHBondContact O-N 3.36Å; E460-L462 VanDerWaalsContact C-N 3.3Å; E460-L462 PolarHBondContact O-N 2.77Å; L462-K464 PolarHBondContact O-N 2.93Å
463G81.6Confident84.2Confident64 Ų6454.7 Ų54.766%0.6630%0.303SS*.THydrogen-bonded Turntrans68.320.6-177.800000114M459 E460 E461M459-G463 PolarHBondContact O-N 3.4Å; E460-G463 PolarHBondContact O-N 2.69Å; E461-G463 PolarHBondContact O-N 2.99Å
464K79.8Confident84.5Confident82 Ų8251.8 Ų51.836%0.35729%0.285SS..  trans-109.837.7-177.5-64.6-168.3-177178.10112.8F421 M459 L462 G466 F467F421-K464 HydrophobicContact CD1-CD 4.13Å; F421-K464 HydrophobicContact CE1-CD 3.96Å; F421-K464 HydrophobicContact CE2-CD 4.48Å; F421-K464 HydrophobicContact CG-CD 4.48Å; F421-K464 HydrophobicContact CZ-CD 4.13Å; M459-K464 CarbonylContact O-C 3.59Å; M459-K464 WeakPolarHBondContact O-CA 3.02Å; M459-K464 PolarHBondContact O-N 3.27Å; L462-K464 PolarHBondContact O-N 2.93Å; K464-G466 PolarHBondContact O-N 3.03Å; K464-F467 HydrophobicContact CB-CB 4.23Å; K464-F467 PolarHBondContact O-N 3.3Å
465V74.8Confident84.7Confident105 Ų10550.7 Ų50.764%0.63628%0.276SS*.THydrogen-bonded Turntrans-51.7-26178.7-161.80000112.7E460E460-V465 HydrophobicContact CG-CG2 4.3Å
466G79.7Confident84.7Confident47 Ų4752 Ų5249%0.48529%0.292SS..THydrogen-bonded Turntrans-91.71178.200000116.1K432 K464K432-G466 WeakPolarHBondContact CD-O 3.42Å; K432-G466 VanDerWaalsContact CE-O 3.29Å; K432-G466 WeakPolarHBondContact CE-O 3.46Å; K432-G466 PolarHBondContact NZ-O 3.42Å; K464-G466 PolarHBondContact O-N 3.03Å
467F85.8Confident84.5Confident15 Ų1556 Ų567%0.06631%0.305CS..SBendtrans-80.2-42.9-173.1174.7-80.9000113.3I417 F421 T430 K431 I433 M459 K464I417-F467 HydrophobicContact CG2-CD1 4.41Å; I417-F467 HydrophobicContact CG2-CE1 3.57Å; I417-F467 HydrophobicContact CG2-CZ 3.98Å; F421-F467 AromaticContact CE2-CD1 3.75Å; F421-F467 HydrophobicContact CE2-CD1 3.75Å; F421-F467 AromaticContact CE2-CD2 3.93Å; F421-F467 HydrophobicContact CE2-CD2 3.93Å; F421-F467 AromaticContact CE2-CE1 3.67Å; F421-F467 HydrophobicContact CE2-CE1 3.67Å; F421-F467 AromaticContact CE2-CE2 3.85Å; F421-F467 HydrophobicContact CE2-CE2 3.85Å; F421-F467 AromaticContact CE2-CG 3.88Å; F421-F467 HydrophobicContact CE2-CG 3.88Å; F421-F467 AromaticContact CE2-CZ 3.7Å; F421-F467 HydrophobicContact CE2-CZ 3.7Å; F421-F467 HydrophobicContact CZ-CD1 4.2Å; F421-F467 AromaticContact CZ-CD2 3.51Å; F421-F467 HydrophobicContact CZ-CD2 3.51Å; F421-F467 HydrophobicContact CZ-CE1 4.08Å; F421-F467 AromaticContact CZ-CE2 3.37Å; F421-F467 HydrophobicContact CZ-CE2 3.37Å; F421-F467 AromaticContact CZ-CG 3.93Å; F421-F467 HydrophobicContact CZ-CG 3.93Å; F421-F467 AromaticContact CZ-CZ 3.65Å; F421-F467 HydrophobicContact CZ-CZ 3.65Å; T430-F467 HydrophobicContact CG2-CZ 4.18Å; T430-F467 WeakPolarHBondContact O-CE2 3.35Å; K431-F467 VanDerWaalsContact C-CE2 3.45Å; K431-F467 WeakPolarHBondContact O-CD2 3.39Å; K431-F467 WeakPolarHBondContact O-CE2 3.35Å; I433-F467 HydrophobicContact CB-CE1 4.42Å; I433-F467 HydrophobicContact CD1-CE1 3.65Å; I433-F467 HydrophobicContact CD1-CZ 3.89Å; I433-F467 HydrophobicContact CG1-CE1 3.8Å; I433-F467 HydrophobicContact CG1-CZ 3.92Å; I433-F467 PolarHBondContact N-O 2.74Å; M459-F467 HydrophobicContact CE-CB 3.39Å; M459-F467 HydrophobicContact CE-CD1 3.42Å; M459-F467 VanDerWaalsContact CE-CD1 3.42Å; M459-F467 HydrophobicContact CE-CG 3.79Å; K464-F467 HydrophobicContact CB-CB 4.23Å; K464-F467 PolarHBondContact O-N 3.3Å
468L88.9Confident84.2Confident22 Ų2254.5 Ų54.512%0.11530%0.301CS..EExtended strand (participates in β ladder)trans-108.9117.3-179.6177.962.8000109.1L414 I433 F435 M459 Y470L414-L468 HydrophobicContact CD2-CD1 3.74Å; L414-L468 HydrophobicContact CD2-CD2 4.2Å; I433-L468 HydrophobicContact CB-CD1 4.05Å; I433-L468 HydrophobicContact CG2-CD1 3.82Å; F435-L468 HydrophobicContact CB-CD1 4.03Å; M459-L468 HydrophobicContact CE-CB 3.66Å; M459-L468 HydrophobicContact SD-CB 3.78Å; M459-L468 HydrophobicContact SD-CD2 4.22Å; L468-Y470 HydrophobicContact CD2-CD1 4.45Å; L468-Y470 HydrophobicContact CG-CD1 4.4Å
469N89.7Confident83.9Confident47 Ų4755.7 Ų55.725%0.25132%0.315SS..EExtended strand (participates in β ladder)trans-110110.5168.1-174.3-53.4000107.6I433 Y434 F435I433-N469 PolarHBondContact O-N 2.61Å; Y434-N469 CarbonylContact C-O 3.52Å; Y434-N469 WeakPolarHBondContact CA-O 3.49Å; Y434-N469 HydrophobicContact CD1-CB 4.08Å; Y434-N469 HydrophobicContact CE1-CB 4.35Å; F435-N469 PolarHBondContact N-O 3.35Å
470Y89.8Confident83.8Confident5 Ų560.5 Ų60.52%0.0234%0.341CS..EExtended strand (participates in β ladder)trans-108.4144.7177.366.9-88000111.8F435 L452 E456 L468 L472 L499 Q501F435-Y470 CarbonylContact O-C 3.59Å; F435-Y470 WeakPolarHBondContact O-CA 3.5Å; L452-Y470 HydrophobicContact CD1-CD2 4.11Å; L452-Y470 HydrophobicContact CD1-CE2 4.29Å; L452-Y470 HydrophobicContact CD2-CD1 4.48Å; L452-Y470 HydrophobicContact CD2-CG 4.37Å; E456-Y470 PolarHBondContact OE2-OH 3.48Å; L468-Y470 HydrophobicContact CD2-CD1 4.45Å; L468-Y470 HydrophobicContact CG-CD1 4.4Å; Y470-L472 HydrophobicContact CD2-CD2 4.32Å; Y470-L472 HydrophobicContact CD2-CG 4.31Å; Y470-L499 HydrophobicContact CE2-CB 4.38Å; Y470-L499 HydrophobicContact CE2-CD1 3.93Å; Y470-Q501 HydrophobicContact CD1-CG 4.43Å; Y470-Q501 HydrophobicContact CD2-CB 4.14Å; Y470-Q501 HydrophobicContact CD2-CG 4.26Å; Y470-Q501 HydrophobicContact CE1-CG 3.95Å; Y470-Q501 HydrophobicContact CE2-CB 3.49Å; Y470-Q501 VanDerWaalsContact CE2-CB 3.49Å; Y470-Q501 HydrophobicContact CE2-CG 3.76Å
471R90.5Very high83.4Confident87 Ų8758.5 Ų58.533%0.32833%0.333SS..EExtended strand (participates in β ladder)trans-135.1126.7176.5-63.8-169.7-177.7-165.610.3110.3F435 Y436 W437 F473 E513F435-R471 PolarHBondContact O-N 2.84Å; Y436-R471 WeakPolarHBondContact CA-O 3.36Å; Y436-R471 HydrophobicContact CD1-CB 4.18Å; Y436-R471 HydrophobicContact CE1-CB 4.39Å; W437-R471 PolarHBondContact N-O 3.46Å; R471-F473 HydrophobicContact CB-CD2 4.33Å; R471-F473 HydrophobicContact CB-CE2 3.57Å; R471-F473 HydrophobicContact CB-CZ 4.34Å; R471-E513 IonicContact CZ-OE1 2.66Å; R471-E513 IonicContact CZ-OE2 3.42Å; R471-E513 IonicContact NE-OE2 3.9Å; R471-E513 IonicContact NH1-OE1 3.17Å; R471-E513 PolarHBondContact NH1-OE1 2.91Å; R471-E513 IonicContact NH1-OE2 3.82Å; R471-E513 PolarHBondContact NH1-OE2 2.7Å; R471-E513 IonicContact NH2-OE2 3.21Å
472L90.3Very high83.1Confident0 Ų054.3 Ų54.30%032%0.316CS..EExtended strand (participates in β ladder)trans-101132.9-179.3-53.2-175.9000109.6W437 F445 L452 Y470 T497 L499 T503 S504W437-L472 HydrophobicContact CB-CD2 3.88Å; W437-L472 HydrophobicContact CE3-CD2 3.9Å; F445-L472 HydrophobicContact CD1-CD1 4.18Å; F445-L472 HydrophobicContact CD1-CD2 4.31Å; F445-L472 HydrophobicContact CE1-CB 3.97Å; F445-L472 HydrophobicContact CE1-CD1 4.34Å; F445-L472 HydrophobicContact CE1-CD2 4.02Å; F445-L472 HydrophobicContact CE1-CG 4.33Å; F445-L472 HydrophobicContact CZ-CB 4.34Å; L452-L472 HydrophobicContact CD1-CD2 4.33Å; Y470-L472 HydrophobicContact CD2-CD2 4.32Å; Y470-L472 HydrophobicContact CD2-CG 4.31Å; L472-T497 HydrophobicContact CD1-CG2 3.84Å; L472-L499 HydrophobicContact CD1-CD1 3.65Å; L472-T503 HydrophobicContact CB-CG2 4.38Å; L472-S504 WeakPolarHBondContact O-CB 3.16Å; L472-S504 PolarHBondContact O-N 3.48Å
473F90.9Very high82.7Confident13 Ų1352 Ų526%0.05731%0.311CS..EExtended strand (participates in β ladder)trans-124.1116.6-178.9-71.4-93.6000110.6Y436 W437 I438 C439 R471 S504 P508Y436-F473 AromaticContact CD1-CE2 3.78Å; Y436-F473 HydrophobicContact CD1-CE2 3.78Å; Y436-F473 HydrophobicContact CE1-CE2 4.4Å; W437-F473 PolarHBondContact O-N 2.92Å; I438-F473 WeakPolarHBondContact CA-O 3.36Å; I438-F473 HydrophobicContact CB-CB 4.44Å; I438-F473 HydrophobicContact CG1-CB 4.16Å; I438-F473 HydrophobicContact CG2-CB 4.28Å; C439-F473 PolarHBondContact N-O 2.97Å; R471-F473 HydrophobicContact CB-CD2 4.33Å; R471-F473 HydrophobicContact CB-CE2 3.57Å; R471-F473 HydrophobicContact CB-CZ 4.34Å; F473-S504 CarbonylContact C-O 3.55Å; F473-S504 VanDerWaalsContact CA-O 3.3Å; F473-S504 WeakPolarHBondContact CA-O 3.45Å; F473-P508 HydrophobicContact CB-CG 4.44Å; F473-P508 HydrophobicContact CD1-CB 4.34Å; F473-P508 HydrophobicContact CD1-CG 3.73Å; F473-P508 HydrophobicContact CD2-CG 3.73Å; F473-P508 HydrophobicContact CE1-CB 3.92Å; F473-P508 HydrophobicContact CE1-CG 3.81Å; F473-P508 HydrophobicContact CE2-CB 4.18Å; F473-P508 HydrophobicContact CE2-CG 3.81Å; F473-P508 HydrophobicContact CG-CG 3.69Å; F473-P508 HydrophobicContact CZ-CB 3.82Å; F473-P508 HydrophobicContact CZ-CG 3.84Å
474L89.3Confident82.5Confident1 Ų154.8 Ų54.81%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-96.5119.5171.9-174.368.7000109.7R440 T442 F445 W477 I481 L496 T503 S504 F505 G506R440-L474 WeakPolarHBondContact O-CD1 3.49Å; T442-L474 HydrophobicContact CG2-CD1 4.08Å; T442-L474 HydrophobicContact CG2-CD2 3.68Å; F445-L474 HydrophobicContact CE2-CD1 4.13Å; L474-W477 HydrophobicContact CD2-CB 4.11Å; L474-W477 HydrophobicContact CG-CB 4.4Å; L474-I481 HydrophobicContact CD2-CG2 4.42Å; L474-L496 HydrophobicContact CD2-CD1 4.43Å; L474-T503 HydrophobicContact CB-CG2 3.96Å; L474-S504 PolarHBondContact N-O 3.02Å; L474-F505 HydrophobicContact CB-CD1 4.31Å; L474-F505 HydrophobicContact CD2-CD1 4.21Å; L474-F505 HydrophobicContact CD2-CE1 3.92Å; L474-G506 PolarHBondContact O-N 3.27Å
475T88.7Confident82.3Confident44 Ų4451.6 Ų51.627%0.2730%0.295SS..  trans-103.9-21.2-176.654.40000114.1I438 C439 R440 G506 R507I438-T475 HydrophobicContact CG2-CG2 3.66Å; C439-T475 PolarHBondContact O-N 3.07Å; C439-T475 PolarHBondContact O-OG1 3.28Å; R440-T475 WeakPolarHBondContact CG-OG1 3.46Å; T475-G506 WeakPolarHBondContact CG2-O 3.44Å; T475-R507 HydrophobicContact CG2-CG 4.26Å
476G82.6Confident82.4Confident37 Ų3749.6 Ų49.638%0.38129%0.29SS..SBendtrans-102.368.5173.300000110.3R440R440-G476 VanDerWaalsContact O-CA 3.25Å; R440-G476 WeakPolarHBondContact O-CA 3.24Å; R440-G476 PolarHBondContact O-N 3.03Å
477W78.1Confident82.3Confident125 Ų12554.1 Ų54.147%0.47330%0.302SS..  trans-104.2150.1-178.558.5-92.8000111.5L474 V482 F505L474-W477 HydrophobicContact CD2-CB 4.11Å; L474-W477 HydrophobicContact CG-CB 4.4Å; W477-V482 HydrophobicContact CB-CG2 4.21Å; W477-V482 HydrophobicContact CD2-CG2 3.77Å; W477-V482 HydrophobicContact CE3-CB 4.39Å; W477-V482 HydrophobicContact CE3-CG2 3.29Å; W477-V482 HydrophobicContact CG-CG2 4.19Å; W477-V482 HydrophobicContact CZ3-CG2 3.86Å; W477-F505 HydrophobicContact CB-CD1 3.76Å; W477-F505 HydrophobicContact CB-CE1 4.35Å; W477-F505 HydrophobicContact CG-CB 4.33Å; W477-F505 HydrophobicContact CG-CD1 4.05Å
478D76.6Confident81.8Confident80 Ų8055.3 Ų55.343%0.42831%0.309SS..  trans-110.4156.3171.5-177.528.3000109.7N480 I481 V482D478-N480 PolarHBondContact O-N 3.29Å; D478-N480 PolarHBondContact OD2-ND2 3.09Å; D478-I481 HydrophobicContact CB-CD1 4.37Å; D478-I481 HydrophobicContact CB-CG1 4.43Å; D478-I481 PolarHBondContact O-N 2.91Å; D478-V482 PolarHBondContact O-N 2.96Å; D478-V482 VanDerWaalsContact O-N 3.16Å
479S76.1Confident81.2Confident79 Ų7960 Ų6055%0.55233%0.329SS*.Hα-helixtrans-57.7-31.8-179.653.10000112.3G483S479-G483 PolarHBondContact O-N 3.01Å
480N77.4Confident80.6Confident115 Ų11565.3 Ų65.362%0.61536%0.357SS*.Hα-helixtrans-66.1-42.8176.5-64.2-46.1000112.3D478 G483 H484D478-N480 PolarHBondContact O-N 3.29Å; D478-N480 PolarHBondContact OD2-ND2 3.09Å; N480-G483 PolarHBondContact O-N 3.34Å; N480-H484 WeakPolarHBondContact O-CB 3.32Å; N480-H484 PolarHBondContact O-N 2.99Å
481I75.9Confident80Confident53 Ų5370.5 Ų70.527%0.27238%0.38SS..Hα-helixtrans-65.9-44.4179.6-60.7174.7000110L474 D478 H484 A485 L496 F505L474-I481 HydrophobicContact CD2-CG2 4.42Å; D478-I481 HydrophobicContact CB-CD1 4.37Å; D478-I481 HydrophobicContact CB-CG1 4.43Å; D478-I481 PolarHBondContact O-N 2.91Å; I481-H484 PolarHBondContact O-N 3.2Å; I481-A485 WeakPolarHBondContact O-CB 3.3Å; I481-A485 PolarHBondContact O-N 3.47Å; I481-L496 HydrophobicContact CG2-CD1 4.14Å; I481-L496 HydrophobicContact CG2-CD2 4.03Å; I481-F505 HydrophobicContact CG2-CE1 3.99Å; I481-F505 HydrophobicContact CG2-CZ 4.43Å
482V77.4Confident79.3Confident40 Ų4070.5 Ų70.524%0.24240%0.399CS..Hα-helixtrans-65.5-43177.61780000110.9W477 D478 H484 A485 A486 F505W477-V482 HydrophobicContact CB-CG2 4.21Å; W477-V482 HydrophobicContact CD2-CG2 3.77Å; W477-V482 HydrophobicContact CE3-CB 4.39Å; W477-V482 HydrophobicContact CE3-CG2 3.29Å; W477-V482 HydrophobicContact CG-CG2 4.19Å; W477-V482 HydrophobicContact CZ3-CG2 3.86Å; D478-V482 PolarHBondContact O-N 2.96Å; D478-V482 VanDerWaalsContact O-N 3.16Å; V482-H484 VanDerWaalsContact C-N 3.34Å; V482-H484 PolarHBondContact O-N 3.47Å; V482-A485 PolarHBondContact O-N 2.89Å; V482-A486 VanDerWaalsContact O-CB 3.27Å; V482-A486 WeakPolarHBondContact O-CB 3.47Å; V482-A486 PolarHBondContact O-N 3.44Å; V482-F505 HydrophobicContact CG1-CD2 4.48Å; V482-F505 HydrophobicContact CG2-CB 4.29Å; V482-F505 HydrophobicContact CG2-CD1 3.66Å; V482-F505 HydrophobicContact CG2-CD2 4.17Å; V482-F505 HydrophobicContact CG2-CE1 3.95Å; V482-F505 HydrophobicContact CG2-CE2 4.45Å; V482-F505 HydrophobicContact CG2-CG 3.77Å; V482-F505 HydrophobicContact CG2-CZ 4.34Å
483G72.8Confident78.7Confident30 Ų3074 Ų7431%0.30942%0.42SS..Hα-helixtrans-57.7-47.1175.300000111.6S479 N480 A485 A486 L487S479-G483 PolarHBondContact O-N 3.01Å; N480-G483 PolarHBondContact O-N 3.34Å; G483-A485 PolarHBondContact O-N 3.37Å; G483-A486 PolarHBondContact O-N 3.19Å; G483-L487 WeakPolarHBondContact O-CB 3.27Å; G483-L487 WeakPolarHBondContact O-CG 3.1Å; G483-L487 PolarHBondContact O-N 3.06Å
484H77.1Confident78.2Confident124 Ų12474 Ų7457%0.57442%0.421SS*.Hα-helixtrans-65.4-37.7178.9-137.7-81.1000112.9N480 I481 V482 N488 I495N480-H484 WeakPolarHBondContact O-CB 3.32Å; N480-H484 PolarHBondContact O-N 2.99Å; I481-H484 PolarHBondContact O-N 3.2Å; V482-H484 VanDerWaalsContact C-N 3.34Å; V482-H484 PolarHBondContact O-N 3.47Å; H484-N488 PolarHBondContact O-ND2 3.22Å; H484-I495 WeakPolarHBondContact O-CD1 3.32Å
485A77.1Confident77.5Confident14 Ų1477.8 Ų77.812%0.11644%0.44CS..Hα-helixtrans-68.8-42.6175.300000112.3I481 V482 G483 N488 F489 F505I481-A485 WeakPolarHBondContact O-CB 3.3Å; I481-A485 PolarHBondContact O-N 3.47Å; V482-A485 PolarHBondContact O-N 2.89Å; G483-A485 PolarHBondContact O-N 3.37Å; A485-N488 CarbonylContact O-C 3.5Å; A485-N488 PolarHBondContact O-N 3.43Å; A485-F489 PolarHBondContact O-N 2.98Å; A485-F489 VanDerWaalsContact O-N 3.12Å; A485-F505 HydrophobicContact CB-CE2 3.66Å; A485-F505 HydrophobicContact CB-CZ 3.52Å
486A75.9Confident76.9Confident64 Ų6478.7 Ų78.753%0.52944%0.443SS..Hα-helixtrans-66.4-41.8178.700000112.1V482 G483 N488 F489V482-A486 VanDerWaalsContact O-CB 3.27Å; V482-A486 WeakPolarHBondContact O-CB 3.47Å; V482-A486 PolarHBondContact O-N 3.44Å; G483-A486 PolarHBondContact O-N 3.19Å; A486-N488 PolarHBondContact O-N 3.42Å; A486-F489 VanDerWaalsContact O-CB 3.29Å; A486-F489 WeakPolarHBondContact O-CB 3.4Å; A486-F489 PolarHBondContact O-N 3Å; A486-F489 VanDerWaalsContact O-N 3.12Å
487L77.1Confident76.5Confident142 Ų14277.6 Ų77.674%0.74343%0.429SS*.Hα-helixtrans-62.2-23.8178.2-76170.1000113.6G483G483-L487 WeakPolarHBondContact O-CB 3.27Å; G483-L487 WeakPolarHBondContact O-CG 3.1Å; G483-L487 PolarHBondContact O-N 3.06Å
488N76.3Confident76.5Confident40 Ų4073.9 Ų73.921%0.21443%0.429CS..THydrogen-bonded Turntrans-116.422.6179.3-64.9-88.4000111.1H484 A485 A486 D490 K491 I495H484-N488 PolarHBondContact O-ND2 3.22Å; A485-N488 CarbonylContact O-C 3.5Å; A485-N488 PolarHBondContact O-N 3.43Å; A486-N488 PolarHBondContact O-N 3.42Å; N488-D490 PolarHBondContact O-N 2.61Å; N488-D490 VanDerWaalsContact O-N 3.17Å; N488-K491 HydrophobicContact CB-CD 4.09Å; N488-K491 HydrophobicContact CB-CG 4.34Å; N488-K491 WeakPolarHBondContact O-CB 3.4Å; N488-K491 PolarHBondContact O-N 3.37Å; N488-K491 VanDerWaalsContact O-N 3.08Å; N488-K491 WeakPolarHBondContact OD1-CE 3.35Å; N488-K491 PolarHBondContact OD1-NZ 3.5Å; N488-I495 HydrophobicContact CB-CD1 3.22Å; N488-I495 HydrophobicContact CB-CG1 3.92Å
489F75.6Confident76.7Confident120 Ų12070.1 Ų70.153%0.52641%0.409SS..THydrogen-bonded Turntrans-60.9-26.8-179.2-170.8-96.7000111.4A485 A486 K491 K502A485-F489 PolarHBondContact O-N 2.98Å; A485-F489 VanDerWaalsContact O-N 3.12Å; A486-F489 VanDerWaalsContact O-CB 3.29Å; A486-F489 WeakPolarHBondContact O-CB 3.4Å; A486-F489 PolarHBondContact O-N 3Å; A486-F489 VanDerWaalsContact O-N 3.12Å; F489-K491 PolarHBondContact O-N 3.32Å; F489-K502 VanDerWaalsContact CD1-NZ 3.32Å; F489-K502 HydrophobicContact CD2-CD 3.67Å; F489-K502 HydrophobicContact CE1-CD 4.36Å; F489-K502 HydrophobicContact CE2-CD 3.31Å; F489-K502 HydrophobicContact CG-CD 4.34Å; F489-K502 HydrophobicContact CZ-CD 3.7Å; F489-K502 VanDerWaalsContact O-CE 3.27Å; F489-K502 WeakPolarHBondContact O-CE 3.44Å; F489-K502 PolarHBondContact O-NZ 3.15Å
490D76.6Confident76.8Confident159 Ų15971.4 Ų71.485%0.8541%0.405SS*.THydrogen-bonded Turntrans-73.9-8.6179.7-59.9-32.9000113.9N488N488-D490 PolarHBondContact O-N 2.61Å; N488-D490 VanDerWaalsContact O-N 3.17Å
491K78.7Confident77.1Confident113 Ų11370 Ų7049%0.49139%0.394SS..SBendtrans-69.5145.4174.2-66.2-172.6-179.7169.50110.8N488 F489 T493N488-K491 HydrophobicContact CB-CD 4.09Å; N488-K491 HydrophobicContact CB-CG 4.34Å; N488-K491 WeakPolarHBondContact O-CB 3.4Å; N488-K491 PolarHBondContact O-N 3.37Å; N488-K491 VanDerWaalsContact O-N 3.08Å; N488-K491 WeakPolarHBondContact OD1-CE 3.35Å; N488-K491 PolarHBondContact OD1-NZ 3.5Å; F489-K491 PolarHBondContact O-N 3.32Å; K491-T493 PolarHBondContact O-N 3.08Å
492A74.3Confident77.5Confident88 Ų8870.8 Ų70.873%0.72740%0.396SS*.SBendtrans-67.4-24.8-17900000113.4
493T79Confident77.9Confident72 Ų7269.4 Ų69.444%0.44239%0.388SS..SBendtrans-117.4145.3179.355.70000110.9K491 L499K491-T493 PolarHBondContact O-N 3.08Å; T493-L499 CarbonylContact C-O 3.55Å; T493-L499 WeakPolarHBondContact CA-O 3.45Å
494D79.8Confident78.7Confident14 Ų1470.2 Ų70.28%0.07539%0.388CS..  trans-63131.5172.7-172.155.3000110.6L496 T497 G498 L499 T503D494-L496 VanDerWaalsContact C-N 3.3Å; D494-L496 PolarHBondContact O-N 3.42Å; D494-T497 WeakPolarHBondContact CB-OG1 3.18Å; D494-T497 WeakPolarHBondContact OD2-CB 3.35Å; D494-T497 PolarHBondContact OD2-N 3.05Å; D494-T497 VanDerWaalsContact OD2-N 3.08Å; D494-T497 PolarHBondContact OD2-OG1 3.24Å; D494-G498 WeakPolarHBondContact O-CA 3.3Å; D494-G498 PolarHBondContact O-N 2.82Å; D494-L499 WeakPolarHBondContact CB-O 3.31Å; D494-L499 PolarHBondContact N-O 3.36Å; D494-T503 PolarHBondContact OD1-N 2.96Å; D494-T503 VanDerWaalsContact OD1-N 3.16Å; D494-T503 PolarHBondContact OD2-OG1 3.45Å
495I75.3Confident79.2Confident80 Ų8067.4 Ų67.441%0.4138%0.375SS..THydrogen-bonded Turntrans-70.5-32.5-178.2-51.1162.4000111.6H484 N488H484-I495 WeakPolarHBondContact O-CD1 3.32Å; N488-I495 HydrophobicContact CB-CD1 3.22Å; N488-I495 HydrophobicContact CB-CG1 3.92Å
496L74.4Confident79.7Confident64 Ų6467.5 Ų67.534%0.33538%0.377SS..THydrogen-bonded Turntrans-76.3-37.4-174.2-64.3175000111.5L474 I481 D494 T503 F505L474-L496 HydrophobicContact CD2-CD1 4.43Å; I481-L496 HydrophobicContact CG2-CD1 4.14Å; I481-L496 HydrophobicContact CG2-CD2 4.03Å; D494-L496 VanDerWaalsContact C-N 3.3Å; D494-L496 PolarHBondContact O-N 3.42Å; L496-T503 HydrophobicContact CD1-CG2 4.39Å; L496-F505 HydrophobicContact CD1-CE1 3.97Å; L496-F505 HydrophobicContact CD1-CZ 3.81Å
497T75.7Confident80.3Confident14 Ų1474.7 Ų74.79%0.08639%0.391CS..THydrogen-bonded Turntrans-116.3-17.6-171.860.90000114.2F445 N449 L472 D494 L499F445-T497 HydrophobicContact CB-CG2 3.97Å; F445-T497 HydrophobicContact CD2-CG2 4.44Å; F445-T497 HydrophobicContact CG-CG2 4.09Å; N449-T497 WeakPolarHBondContact ND2-CA 3.27Å; N449-T497 PolarHBondContact ND2-O 3.39Å; L472-T497 HydrophobicContact CD1-CG2 3.84Å; D494-T497 WeakPolarHBondContact CB-OG1 3.18Å; D494-T497 WeakPolarHBondContact OD2-CB 3.35Å; D494-T497 PolarHBondContact OD2-N 3.05Å; D494-T497 VanDerWaalsContact OD2-N 3.08Å; D494-T497 PolarHBondContact OD2-OG1 3.24Å; T497-L499 PolarHBondContact O-N 2.87Å
498G76.8Confident81Confident46 Ų4668.4 Ų68.447%0.47436%0.359SS..  trans76.90-174.100000114.3D494D494-G498 WeakPolarHBondContact O-CA 3.3Å; D494-G498 PolarHBondContact O-N 2.82Å
499L80.8Confident81.8Confident2 Ų272.6 Ų72.61%0.0138%0.378CS..  trans-83.6158.2-174.8-68.6167.5000112.4L452 T453 Y470 L472 T493 D494 T497 Q501L452-L499 HydrophobicContact CB-CD1 4.29Å; L452-L499 HydrophobicContact CB-CD2 3.94Å; L452-L499 HydrophobicContact CD1-CD1 3.94Å; T453-L499 WeakPolarHBondContact OG1-CD2 3.18Å; Y470-L499 HydrophobicContact CE2-CB 4.38Å; Y470-L499 HydrophobicContact CE2-CD1 3.93Å; L472-L499 HydrophobicContact CD1-CD1 3.65Å; T493-L499 CarbonylContact C-O 3.55Å; T493-L499 WeakPolarHBondContact CA-O 3.45Å; D494-L499 WeakPolarHBondContact CB-O 3.31Å; D494-L499 PolarHBondContact N-O 3.36Å; T497-L499 PolarHBondContact O-N 2.87Å; L499-Q501 VanDerWaalsContact C-N 3.31Å; L499-Q501 PolarHBondContact O-N 3.48Å
500K79.4Confident82.7Confident105 Ų10568.1 Ų68.146%0.45736%0.358SS..SBendtrans-65.7-35.6174.4-67.1-175.9-176.7176.40111.6E460E460-K500 IonicContact OE1-NZ 2.94Å; E460-K500 IonicContact OE2-NZ 3.64Å; E460-K500 PolarHBondContact OE2-NZ 2.87Å
501Q82.6Confident83.4Confident85 Ų8563.4 Ų63.440%0.39733%0.333SS..SBendtrans-79.2129.9175-67-62.5-27.900111.4Y470 L499Y470-Q501 HydrophobicContact CD1-CG 4.43Å; Y470-Q501 HydrophobicContact CD2-CB 4.14Å; Y470-Q501 HydrophobicContact CD2-CG 4.26Å; Y470-Q501 HydrophobicContact CE1-CG 3.95Å; Y470-Q501 HydrophobicContact CE2-CB 3.49Å; Y470-Q501 VanDerWaalsContact CE2-CB 3.49Å; Y470-Q501 HydrophobicContact CE2-CG 3.76Å; L499-Q501 VanDerWaalsContact C-N 3.31Å; L499-Q501 PolarHBondContact O-N 3.48Å
502K84.8Confident84.1Confident71 Ų7162.1 Ų62.131%0.30933%0.331SS..PPolyproline II helixtrans-78142-178-61.3-177.7-172.3169.90112F489 S504F489-K502 VanDerWaalsContact CD1-NZ 3.32Å; F489-K502 HydrophobicContact CD2-CD 3.67Å; F489-K502 HydrophobicContact CE1-CD 4.36Å; F489-K502 HydrophobicContact CE2-CD 3.31Å; F489-K502 HydrophobicContact CG-CD 4.34Å; F489-K502 HydrophobicContact CZ-CD 3.7Å; F489-K502 VanDerWaalsContact O-CE 3.27Å; F489-K502 WeakPolarHBondContact O-CE 3.44Å; F489-K502 PolarHBondContact O-NZ 3.15Å; K502-S504 PolarHBondContact O-N 3.11Å
503T86.4Confident85Confident11 Ų1158.9 Ų58.97%0.06730%0.301CS..PPolyproline II helixtrans-71.6127.7176.5-61.90000110.4L472 L474 D494 L496L472-T503 HydrophobicContact CB-CG2 4.38Å; L474-T503 HydrophobicContact CB-CG2 3.96Å; D494-T503 PolarHBondContact OD1-N 2.96Å; D494-T503 VanDerWaalsContact OD1-N 3.16Å; D494-T503 PolarHBondContact OD2-OG1 3.45Å; L496-T503 HydrophobicContact CD1-CG2 4.39Å
504S88.4Confident85.7Confident46 Ų4655.5 Ų55.532%0.32228%0.28SS..EExtended strand (participates in β ladder)trans-87.6137174.3-64.20000110.8L472 F473 L474 K502L472-S504 WeakPolarHBondContact O-CB 3.16Å; L472-S504 PolarHBondContact O-N 3.48Å; F473-S504 CarbonylContact C-O 3.55Å; F473-S504 VanDerWaalsContact CA-O 3.3Å; F473-S504 WeakPolarHBondContact CA-O 3.45Å; L474-S504 PolarHBondContact N-O 3.02Å; K502-S504 PolarHBondContact O-N 3.11Å
505F87.9Confident86.2Confident65 Ų6557.3 Ų57.329%0.28529%0.294SS..EExtended strand (participates in β ladder)trans-95.3131.9177.9-61.3-82.1000111L474 W477 I481 V482 A485 L496L474-F505 HydrophobicContact CB-CD1 4.31Å; L474-F505 HydrophobicContact CD2-CD1 4.21Å; L474-F505 HydrophobicContact CD2-CE1 3.92Å; W477-F505 HydrophobicContact CB-CD1 3.76Å; W477-F505 HydrophobicContact CB-CE1 4.35Å; W477-F505 HydrophobicContact CG-CB 4.33Å; W477-F505 HydrophobicContact CG-CD1 4.05Å; I481-F505 HydrophobicContact CG2-CE1 3.99Å; I481-F505 HydrophobicContact CG2-CZ 4.43Å; V482-F505 HydrophobicContact CG1-CD2 4.48Å; V482-F505 HydrophobicContact CG2-CB 4.29Å; V482-F505 HydrophobicContact CG2-CD1 3.66Å; V482-F505 HydrophobicContact CG2-CD2 4.17Å; V482-F505 HydrophobicContact CG2-CE1 3.95Å; V482-F505 HydrophobicContact CG2-CE2 4.45Å; V482-F505 HydrophobicContact CG2-CG 3.77Å; V482-F505 HydrophobicContact CG2-CZ 4.34Å; A485-F505 HydrophobicContact CB-CE2 3.66Å; A485-F505 HydrophobicContact CB-CZ 3.52Å; L496-F505 HydrophobicContact CD1-CE1 3.97Å; L496-F505 HydrophobicContact CD1-CZ 3.81Å
506G87.8Confident87Confident17 Ų1757 Ų5718%0.17530%0.296CS..SBendtrans100-159.5-178.400000113.8L474 T475L474-G506 PolarHBondContact O-N 3.27Å; T475-G506 WeakPolarHBondContact CG2-O 3.44Å
507R89.1Confident87.9Confident215 Ų21554 Ų5481%0.81128%0.28SS*.  trans-97.1144.5-175.7-63.4-177.2-174.7-176.83.6110.7T475 M509T475-R507 HydrophobicContact CG2-CG 4.26Å; R507-M509 PolarHBondContact O-N 3.28Å
508P91.7Very high88.6Confident10 Ų1054.4 Ų54.47%0.06529%0.285CS..  trans-58.5134.9173-19.828.9000111.7I438 F473 W510I438-P508 HydrophobicContact CD1-CG 3.78Å; I438-P508 HydrophobicContact CG1-CG 4.12Å; F473-P508 HydrophobicContact CB-CG 4.44Å; F473-P508 HydrophobicContact CD1-CB 4.34Å; F473-P508 HydrophobicContact CD1-CG 3.73Å; F473-P508 HydrophobicContact CD2-CG 3.73Å; F473-P508 HydrophobicContact CE1-CB 3.92Å; F473-P508 HydrophobicContact CE1-CG 3.81Å; F473-P508 HydrophobicContact CE2-CB 4.18Å; F473-P508 HydrophobicContact CE2-CG 3.81Å; F473-P508 HydrophobicContact CG-CG 3.69Å; F473-P508 HydrophobicContact CZ-CB 3.82Å; F473-P508 HydrophobicContact CZ-CG 3.84Å; P508-W510 VanDerWaalsContact C-N 3.33Å; P508-W510 HydrophobicContact CB-CD2 4Å; P508-W510 HydrophobicContact CB-CE3 4.14Å; P508-W510 HydrophobicContact CB-CH2 3.93Å; P508-W510 HydrophobicContact CB-CZ2 3.79Å; P508-W510 HydrophobicContact CB-CZ3 4.1Å; P508-W510 HydrophobicContact CG-CH2 3.89Å; P508-W510 HydrophobicContact CG-CZ2 3.65Å; P508-W510 PolarHBondContact O-N 3.33Å; P508-W510 VanDerWaalsContact O-N 3.07Å
509M92.8Very high89.2Confident128 Ų12857 Ų5763%0.63129%0.292SS*.  trans-81.181.3171.2-67.5-165.2-68.700109.7R507 D511 N512 E513R507-M509 PolarHBondContact O-N 3.28Å; M509-D511 VanDerWaalsContact C-N 3.25Å; M509-D511 PolarHBondContact O-N 3.3Å; M509-D511 VanDerWaalsContact O-N 3.15Å; M509-N512 HydrophobicContact CB-CB 4.32Å; M509-N512 WeakPolarHBondContact CE-ND2 3.39Å; M509-N512 PolarHBondContact O-N 3.08Å; M509-E513 PolarHBondContact O-N 3.14Å; M509-E513 VanDerWaalsContact O-N 3.16Å
510W93.8Very high89.7Confident25 Ų2560 Ų6010%0.09531%0.313CS..Hα-helixtrans-55.5-34.4-172.3-64.4119.4000114.6V401 Y436 I438 P508 N512 E513 F514 L536 L540V401-W510 HydrophobicContact CB-CH2 4.48Å; V401-W510 HydrophobicContact CG1-CH2 3.68Å; V401-W510 HydrophobicContact CG1-CZ2 4.01Å; V401-W510 HydrophobicContact CG2-CH2 3.9Å; V401-W510 HydrophobicContact CG2-CZ3 4.23Å; Y436-W510 HydrophobicContact CD1-CH2 4.24Å; Y436-W510 HydrophobicContact CD1-CZ3 4Å; Y436-W510 HydrophobicContact CD2-CZ3 4.21Å; Y436-W510 HydrophobicContact CE1-CZ3 4.32Å; Y436-W510 HydrophobicContact CE2-CZ3 4.47Å; Y436-W510 HydrophobicContact CG-CH2 4.05Å; Y436-W510 AromaticContact CG-CZ3 3.97Å; Y436-W510 HydrophobicContact CG-CZ3 3.97Å; I438-W510 HydrophobicContact CD1-CH2 4.24Å; I438-W510 HydrophobicContact CD1-CZ2 3.74Å; P508-W510 VanDerWaalsContact C-N 3.33Å; P508-W510 HydrophobicContact CB-CD2 4Å; P508-W510 HydrophobicContact CB-CE3 4.14Å; P508-W510 HydrophobicContact CB-CH2 3.93Å; P508-W510 HydrophobicContact CB-CZ2 3.79Å; P508-W510 HydrophobicContact CB-CZ3 4.1Å; P508-W510 HydrophobicContact CG-CH2 3.89Å; P508-W510 HydrophobicContact CG-CZ2 3.65Å; P508-W510 PolarHBondContact O-N 3.33Å; P508-W510 VanDerWaalsContact O-N 3.07Å; W510-N512 VanDerWaalsContact C-N 3.34Å; W510-N512 PolarHBondContact O-N 3.2Å; W510-E513 PolarHBondContact O-N 2.77Å; W510-F514 HydrophobicContact CB-CD2 4.43Å; W510-F514 HydrophobicContact CE3-CD2 4.45Å; W510-F514 HydrophobicContact CE3-CE2 4.09Å; W510-F514 WeakPolarHBondContact O-CB 3.2Å; W510-F514 WeakPolarHBondContact O-CD2 3.22Å; W510-F514 PolarHBondContact O-N 2.98Å; W510-L536 HydrophobicContact CZ2-CD1 3.76Å; W510-L540 HydrophobicContact CD2-CD2 3.41Å; W510-L540 VanDerWaalsContact CD2-CD2 3.41Å; W510-L540 HydrophobicContact CE3-CD2 3.57Å; W510-L540 HydrophobicContact CG-CD2 3.93Å; W510-L540 HydrophobicContact CH2-CD2 4.05Å; W510-L540 HydrophobicContact CZ2-CD2 3.9Å; W510-L540 HydrophobicContact CZ3-CD2 3.89Å
511D92.5Very high90.1Very high61 Ų6156.8 Ų56.833%0.32630%0.299SS..Hα-helixtrans-60.3-43.4175.9-79.7-75.1000112.2M509 S515 R546 Y547M509-D511 VanDerWaalsContact C-N 3.25Å; M509-D511 PolarHBondContact O-N 3.3Å; M509-D511 VanDerWaalsContact O-N 3.15Å; D511-S515 WeakPolarHBondContact O-CB 3.31Å; D511-S515 PolarHBondContact O-N 3Å; D511-R546 IonicContact OD1-CZ 2.89Å; D511-R546 IonicContact OD1-NH1 3.85Å; D511-R546 PolarHBondContact OD1-NH1 3.39Å; D511-R546 IonicContact OD2-NH1 3.66Å; D511-Y547 HydrophobicContact CB-CE2 4.46Å; D511-Y547 WeakPolarHBondContact CB-OH 3.45Å; D511-Y547 PolarHBondContact O-OH 3.39Å; D511-Y547 WeakPolarHBondContact OD1-CE2 3.39Å; D511-Y547 PolarHBondContact OD1-OH 3.23Å
512N93.2Very high90.2Very high86 Ų8656.8 Ų56.846%0.4631%0.307SS..Hα-helixtrans-69.9-42.7179.1-67.83.1000111.3M509 W510 S515 T516M509-N512 HydrophobicContact CB-CB 4.32Å; M509-N512 WeakPolarHBondContact CE-ND2 3.39Å; M509-N512 PolarHBondContact O-N 3.08Å; W510-N512 VanDerWaalsContact C-N 3.34Å; W510-N512 PolarHBondContact O-N 3.2Å; N512-S515 PolarHBondContact O-N 3.47Å; N512-T516 WeakPolarHBondContact O-CB 3.37Å; N512-T516 PolarHBondContact O-N 3.46Å; N512-T516 PolarHBondContact O-OG1 3.09Å
513E93Very high90.2Very high20 Ų2060.5 Ų60.59%0.09332%0.323CS..Hα-helixtrans-62.2-48.8178.3-62.2-58.8139.500111.2Y436 R471 M509 W510 S515 T516 I517Y436-E513 HydrophobicContact CE1-CG 3.97Å; Y436-E513 WeakPolarHBondContact CE1-OE2 3.46Å; Y436-E513 PolarHBondContact OH-OE2 3.24Å; R471-E513 IonicContact CZ-OE1 2.66Å; R471-E513 IonicContact CZ-OE2 3.42Å; R471-E513 IonicContact NE-OE2 3.9Å; R471-E513 IonicContact NH1-OE1 3.17Å; R471-E513 PolarHBondContact NH1-OE1 2.91Å; R471-E513 IonicContact NH1-OE2 3.82Å; R471-E513 PolarHBondContact NH1-OE2 2.7Å; R471-E513 IonicContact NH2-OE2 3.21Å; M509-E513 PolarHBondContact O-N 3.14Å; M509-E513 VanDerWaalsContact O-N 3.16Å; W510-E513 PolarHBondContact O-N 2.77Å; E513-S515 PolarHBondContact O-N 3.49Å; E513-T516 PolarHBondContact O-N 3.09Å; E513-I517 VanDerWaalsContact O-CG1 3.27Å; E513-I517 WeakPolarHBondContact O-CG1 3.48Å; E513-I517 PolarHBondContact O-N 2.98Å
514F93.2Very high90.2Very high1 Ų160.8 Ų60.80%0.00433%0.326CS..Hα-helixtrans-66.3-38.4179.3-86.4-108.1000112.4W510 T516 I517 A518 V528 L540 C543 C544 Y547 F557W510-F514 HydrophobicContact CB-CD2 4.43Å; W510-F514 HydrophobicContact CE3-CD2 4.45Å; W510-F514 HydrophobicContact CE3-CE2 4.09Å; W510-F514 WeakPolarHBondContact O-CB 3.2Å; W510-F514 WeakPolarHBondContact O-CD2 3.22Å; W510-F514 PolarHBondContact O-N 2.98Å; F514-T516 VanDerWaalsContact C-N 3.33Å; F514-I517 PolarHBondContact O-N 3.47Å; F514-A518 WeakPolarHBondContact O-CB 3.11Å; F514-A518 PolarHBondContact O-N 3.29Å; F514-V528 HydrophobicContact CE1-CG2 3.99Å; F514-V528 HydrophobicContact CZ-CG1 4.11Å; F514-V528 HydrophobicContact CZ-CG2 4.01Å; F514-L540 HydrophobicContact CE2-CD2 3.8Å; F514-L540 HydrophobicContact CZ-CD2 4.15Å; F514-C543 HydrophobicContact CD1-CB 4.03Å; F514-C543 HydrophobicContact CD2-CB 3.97Å; F514-C543 HydrophobicContact CE1-CB 4.14Å; F514-C543 HydrophobicContact CE2-CB 4.08Å; F514-C543 HydrophobicContact CG-CB 3.93Å; F514-C543 HydrophobicContact CZ-CB 4.16Å; F514-C544 HydrophobicContact CE1-CB 4.44Å; F514-C544 VanDerWaalsContact CE1-SG 3.53Å; F514-Y547 HydrophobicContact CB-CD2 3.51Å; F514-Y547 HydrophobicContact CB-CE2 3.95Å; F514-Y547 HydrophobicContact CB-CG 3.92Å; F514-Y547 HydrophobicContact CD1-CD2 4.4Å; F514-Y547 HydrophobicContact CG-CD2 4.25Å; F514-F557 AromaticContact CD1-CD1 3.84Å; F514-F557 HydrophobicContact CD1-CD1 3.84Å; F514-F557 HydrophobicContact CD1-CD2 4.39Å; F514-F557 AromaticContact CD1-CE1 3.7Å; F514-F557 HydrophobicContact CD1-CE1 3.7Å; F514-F557 HydrophobicContact CD1-CE2 4.25Å; F514-F557 HydrophobicContact CD1-CG 4.18Å; F514-F557 AromaticContact CD1-CZ 3.92Å; F514-F557 HydrophobicContact CD1-CZ 3.92Å; F514-F557 AromaticContact CE1-CD1 3.69Å; F514-F557 HydrophobicContact CE1-CD1 3.69Å; F514-F557 AromaticContact CE1-CE1 3.93Å; F514-F557 HydrophobicContact CE1-CE1 3.93Å; F514-F557 HydrophobicContact CE1-CG 4.15Å
515S91.7Very high90.1Very high52 Ų5260.4 Ų60.436%0.36432%0.321SS..Hα-helixtrans-61.4-42.5173.9-1750000111.7D511 N512 E513 A518 T519D511-S515 WeakPolarHBondContact O-CB 3.31Å; D511-S515 PolarHBondContact O-N 3Å; N512-S515 PolarHBondContact O-N 3.47Å; E513-S515 PolarHBondContact O-N 3.49Å; S515-A518 PolarHBondContact O-N 3.19Å; S515-T519 WeakPolarHBondContact O-CG2 3.15Å; S515-T519 PolarHBondContact O-N 3.16Å; S515-T519 PolarHBondContact O-OG1 3.27Å
516T92.2Very high90.3Very high72 Ų7257.3 Ų57.344%0.44231%0.307SS..Hα-helixtrans-66.6-43.5178.1-54.90000111.5N512 E513 F514 A518 T519 S520N512-T516 WeakPolarHBondContact O-CB 3.37Å; N512-T516 PolarHBondContact O-N 3.46Å; N512-T516 PolarHBondContact O-OG1 3.09Å; E513-T516 PolarHBondContact O-N 3.09Å; F514-T516 VanDerWaalsContact C-N 3.33Å; T516-A518 VanDerWaalsContact C-N 3.33Å; T516-A518 PolarHBondContact O-N 3.15Å; T516-T519 WeakPolarHBondContact CA-OG1 3.46Å; T516-T519 PolarHBondContact O-N 3.2Å; T516-T519 PolarHBondContact O-OG1 2.97Å; T516-S520 VanDerWaalsContact O-CB 3.29Å; T516-S520 WeakPolarHBondContact O-CB 3.48Å; T516-S520 PolarHBondContact O-N 3.01Å; T516-S520 PolarHBondContact O-OG 3.45Å
517I92.4Very high90.4Very high2 Ų256.5 Ų56.51%0.0130%0.299CS..Hα-helixtrans-65-40.8176.9-66.2164.2000110.4V399 Y434 E513 F514 T519 S520 H521 V526 F557V399-I517 HydrophobicContact CG2-CD1 3.87Å; Y434-I517 HydrophobicContact CD1-CD1 4.49Å; Y434-I517 HydrophobicContact CD1-CG1 4.4Å; Y434-I517 HydrophobicContact CD2-CD1 4.26Å; Y434-I517 HydrophobicContact CD2-CG1 4.23Å; Y434-I517 HydrophobicContact CE1-CG1 4.25Å; Y434-I517 HydrophobicContact CE2-CG1 4.08Å; Y434-I517 HydrophobicContact CE2-CG2 4.38Å; Y434-I517 HydrophobicContact CG-CD1 4.2Å; Y434-I517 HydrophobicContact CG-CG1 4.39Å; E513-I517 VanDerWaalsContact O-CG1 3.27Å; E513-I517 WeakPolarHBondContact O-CG1 3.48Å; E513-I517 PolarHBondContact O-N 2.98Å; F514-I517 PolarHBondContact O-N 3.47Å; I517-T519 VanDerWaalsContact C-N 3.33Å; I517-T519 PolarHBondContact O-N 2.68Å; I517-S520 PolarHBondContact O-N 3.38Å; I517-H521 PolarHBondContact O-N 2.95Å; I517-H521 VanDerWaalsContact O-N 3.09Å; I517-V526 HydrophobicContact CG2-CG1 4.39Å; I517-V526 HydrophobicContact CG2-CG2 4.28Å; I517-F557 HydrophobicContact CB-CE1 4.42Å; I517-F557 HydrophobicContact CB-CZ 4.3Å; I517-F557 HydrophobicContact CG2-CE1 3.85Å; I517-F557 HydrophobicContact CG2-CZ 3.98Å
518A89.6Confident90.6Very high22 Ų2246.2 Ų46.218%0.18226%0.26CS..Hα-helixtrans-63.4-37.7179.100000113.4F514 S515 T516 V555 F557F514-A518 WeakPolarHBondContact O-CB 3.11Å; F514-A518 PolarHBondContact O-N 3.29Å; S515-A518 PolarHBondContact O-N 3.19Å; T516-A518 VanDerWaalsContact C-N 3.33Å; T516-A518 PolarHBondContact O-N 3.15Å; A518-V555 HydrophobicContact CB-CG1 3.53Å; A518-F557 HydrophobicContact CB-CE2 4.07Å; A518-F557 HydrophobicContact CB-CZ 4.19Å
519T90.3Very high90.7Very high102 Ų10245.8 Ų45.863%0.62626%0.257SS*.Hα-helixtrans-77.9-35.3177.746.20000112.3S515 T516 I517S515-T519 WeakPolarHBondContact O-CG2 3.15Å; S515-T519 PolarHBondContact O-N 3.16Å; S515-T519 PolarHBondContact O-OG1 3.27Å; T516-T519 WeakPolarHBondContact CA-OG1 3.46Å; T516-T519 PolarHBondContact O-N 3.2Å; T516-T519 PolarHBondContact O-OG1 2.97Å; I517-T519 VanDerWaalsContact C-N 3.33Å; I517-T519 PolarHBondContact O-N 2.68Å
520S90.4Very high90.6Very high64 Ų6439.7 Ų39.745%0.44823%0.227SC..Hα-helixtrans-72.5-29.7-179.7-58.50000113.5T516 I517 P522T516-S520 VanDerWaalsContact O-CB 3.29Å; T516-S520 WeakPolarHBondContact O-CB 3.48Å; T516-S520 PolarHBondContact O-N 3.01Å; T516-S520 PolarHBondContact O-OG 3.45Å; I517-S520 PolarHBondContact O-N 3.38Å; S520-P522 VanDerWaalsContact C-CD 3.44Å; S520-P522 WeakPolarHBondContact O-CD 3.48Å
521H89.4Confident90.5Very high37 Ų3738.9 Ų38.917%0.17123%0.226CC..SBendtrans-125.565-174.8-58.5-77.1000111.9V397 Y434 I517 K523 S524V397-H521 HydrophobicContact CG2-CB 4.24Å; Y434-H521 AromaticContact CE2-NE2 3.59Å; Y434-H521 AromaticContact CZ-NE2 3.68Å; Y434-H521 PolarHBondContact OH-NE2 2.97Å; I517-H521 PolarHBondContact O-N 2.95Å; I517-H521 VanDerWaalsContact O-N 3.09Å; H521-K523 PolarHBondContact O-N 2.91Å; H521-S524 PolarHBondContact O-N 2.86Å
522P82.9Confident90.3Very high86 Ų8637.1 Ų37.156%0.55822%0.222SC*.THydrogen-bonded Turntrans-63.3137.7176.628.9-33.7000109.7S520 S524S520-P522 VanDerWaalsContact C-CD 3.44Å; S520-P522 WeakPolarHBondContact O-CD 3.48Å; P522-S524 PolarHBondContact O-N 3.08Å
523K85.1Confident90Very high148 Ų14836.2 Ų36.264%0.64322%0.22SC*.THydrogen-bonded Turntrans71.7-2.5-178.6-48.4177.3179.91740116.6H521 R553H521-K523 PolarHBondContact O-N 2.91Å; K523-R553 VanDerWaalsContact CG-O 3.22Å; K523-R553 WeakPolarHBondContact CG-O 3.34Å
524S85.9Confident89.7Confident18 Ų1838.5 Ų38.513%0.12623%0.231CC..  trans-83.3152.8178.2-72.60000112.8E396 H521 P522 V555 Q556E396-S524 WeakPolarHBondContact OE2-CB 3.47Å; E396-S524 PolarHBondContact OE2-OG 3.05Å; H521-S524 PolarHBondContact O-N 2.86Å; P522-S524 PolarHBondContact O-N 3.08Å; S524-V555 WeakPolarHBondContact O-CG2 3.36Å; S524-Q556 PolarHBondContact O-N 3.07Å; S524-Q556 VanDerWaalsContact O-N 3.17Å
525V87.5Confident89.4Confident37 Ų3743.4 Ų43.422%0.22426%0.261CS..EExtended strand (participates in β ladder)trans-95.7112.4172.3174.40000108.7Y395 Y558Y395-V525 HydrophobicContact CD1-CG1 3.8Å; Y395-V525 HydrophobicContact CE1-CG1 4.02Å; V525-Y558 HydrophobicContact CG1-CD2 3.56Å; V525-Y558 HydrophobicContact CG1-CE2 3.43Å; V525-Y558 VanDerWaalsContact CG1-CE2 3.43Å
526V91.1Very high89.4Confident0 Ų042 Ų420%025%0.25CC..EExtended strand (participates in β ladder)trans-100.7121.5-175.6-173.40000110.2V397 V399 I517 V528 V555 Q556 F557 Y558V397-V526 HydrophobicContact CB-CG1 4.33Å; V397-V526 HydrophobicContact CB-CG2 4.09Å; V397-V526 HydrophobicContact CG1-CG1 4.15Å; V397-V526 HydrophobicContact CG1-CG2 4.37Å; V397-V526 VanDerWaalsContact O-CA 3.32Å; V397-V526 WeakPolarHBondContact O-CA 3.25Å; V399-V526 HydrophobicContact CG2-CG1 3.7Å; I517-V526 HydrophobicContact CG2-CG1 4.39Å; I517-V526 HydrophobicContact CG2-CG2 4.28Å; V526-V528 HydrophobicContact CG1-CG2 4.41Å; V526-V555 HydrophobicContact CG2-CG2 3.45Å; V526-V555 VanDerWaalsContact CG2-CG2 3.45Å; V526-Q556 PolarHBondContact N-O 3.22Å; V526-F557 HydrophobicContact CB-CD1 3.67Å; V526-F557 HydrophobicContact CB-CE1 3.88Å; V526-F557 HydrophobicContact CB-CG 4.42Å; V526-F557 HydrophobicContact CG1-CD1 3.73Å; V526-F557 HydrophobicContact CG1-CE1 3.76Å; V526-F557 HydrophobicContact CG2-CD1 4.26Å; V526-F557 HydrophobicContact CG2-CE1 4.04Å; V526-F557 WeakPolarHBondContact O-CA 3.29Å; V526-Y558 PolarHBondContact O-N 3.3Å
527G91.3Very high89.3Confident0 Ų038.6 Ų38.60%023%0.229CC..EExtended strand (participates in β ladder)trans-92121.2172.400000110.5V397 A398 V399 F529V397-G527 PolarHBondContact O-N 3.01Å; A398-G527 CarbonylContact C-O 3.58Å; A398-G527 WeakPolarHBondContact CA-O 3.4Å; V399-G527 PolarHBondContact N-O 2.74Å; G527-F529 WeakPolarHBondContact O-CD2 3.33Å
528V93.1Very high89.2Confident0 Ų045.3 Ų45.30%026%0.258CS..EExtended strand (participates in β ladder)trans-105.8112.6177.3-176.10000108.7V399 F514 V526 F557 Y558 F559 N560V399-V528 HydrophobicContact CB-CB 4.42Å; V399-V528 HydrophobicContact CB-CG1 4.31Å; V399-V528 HydrophobicContact CB-CG2 4.13Å; V399-V528 HydrophobicContact CG1-CG1 4.28Å; V399-V528 HydrophobicContact CG2-CG2 4.37Å; V399-V528 CarbonylContact O-C 3.55Å; V399-V528 WeakPolarHBondContact O-CA 3.44Å; F514-V528 HydrophobicContact CE1-CG2 3.99Å; F514-V528 HydrophobicContact CZ-CG1 4.11Å; F514-V528 HydrophobicContact CZ-CG2 4.01Å; V526-V528 HydrophobicContact CG1-CG2 4.41Å; V528-F557 HydrophobicContact CG2-CD1 3.86Å; V528-Y558 PolarHBondContact N-O 3.39Å; V528-F559 HydrophobicContact CB-CD2 4.38Å; V528-F559 HydrophobicContact CG1-CD2 4.11Å; V528-N560 PolarHBondContact O-N 2.73Å
529F92.8Very high89.3Confident0 Ų047 Ų470%027%0.269CS..EExtended strand (participates in β ladder)trans-109.8122.6-177-59.9-92.9000109.5A388 V392 Y395 A398 V399 L400 V401 F410 G527 N560A388-F529 WeakPolarHBondContact O-CE1 3.29Å; V392-F529 HydrophobicContact CB-CE2 4.27Å; V392-F529 HydrophobicContact CB-CZ 4.21Å; V392-F529 HydrophobicContact CG2-CD1 3.86Å; V392-F529 HydrophobicContact CG2-CD2 3.73Å; V392-F529 HydrophobicContact CG2-CE1 3.72Å; V392-F529 HydrophobicContact CG2-CE2 3.58Å; V392-F529 HydrophobicContact CG2-CG 3.86Å; V392-F529 HydrophobicContact CG2-CZ 3.57Å; Y395-F529 AromaticContact CD2-CE2 4Å; Y395-F529 HydrophobicContact CD2-CE2 4Å; Y395-F529 AromaticContact CD2-CZ 3.66Å; Y395-F529 HydrophobicContact CD2-CZ 3.66Å; Y395-F529 HydrophobicContact CE2-CE1 4.48Å; Y395-F529 HydrophobicContact CE2-CE2 4.23Å; Y395-F529 AromaticContact CE2-CZ 3.54Å; Y395-F529 HydrophobicContact CE2-CZ 3.54Å; A398-F529 HydrophobicContact CB-CE2 4.44Å; V399-F529 PolarHBondContact O-N 3.21Å; L400-F529 HydrophobicContact CD2-CB 4.06Å; L400-F529 HydrophobicContact CD2-CD2 3.9Å; L400-F529 HydrophobicContact CD2-CG 4.24Å; V401-F529 PolarHBondContact N-O 3.39Å; F410-F529 HydrophobicContact CE1-CB 3.86Å; F410-F529 HydrophobicContact CZ-CB 4.13Å; G527-F529 WeakPolarHBondContact O-CD2 3.33Å; F529-N560 WeakPolarHBondContact CA-O 3.44Å; F529-N560 HydrophobicContact CD1-CB 3.65Å; F529-N560 HydrophobicContact CE1-CB 3.84Å; F529-N560 VanDerWaalsContact CE1-ND2 3.33Å; F529-N560 WeakPolarHBondContact CE1-ND2 3.05Å; F529-N560 HydrophobicContact CG-CB 4.39Å
530L92.3Very high89.4Confident0 Ų042.2 Ų42.20%024%0.239CC..EExtended strand (participates in β ladder)trans-116.9127.8176.7171.169.4000110.5V401 L536 A537 L540 F559 N560 K561 E562V401-L530 HydrophobicContact CB-CD1 4Å; V401-L530 HydrophobicContact CG1-CD1 3.86Å; V401-L530 WeakPolarHBondContact O-CA 3.2Å; V401-L530 WeakPolarHBondContact O-CD1 3.26Å; L530-L536 HydrophobicContact CD1-CD2 3.63Å; L530-L536 HydrophobicContact CD1-CG 3.94Å; L530-L536 HydrophobicContact CD2-CB 4.45Å; L530-L536 HydrophobicContact CD2-CG 4.26Å; L530-A537 HydrophobicContact CD2-CB 3.43Å; L530-A537 VanDerWaalsContact CD2-CB 3.43Å; L530-A537 VanDerWaalsContact CD2-N 3.33Å; L530-L540 HydrophobicContact CB-CD1 4.04Å; L530-L540 HydrophobicContact CD1-CD1 3.96Å; L530-L540 HydrophobicContact CD2-CD1 4.11Å; L530-L540 HydrophobicContact CG-CD1 4.25Å; L530-F559 HydrophobicContact CB-CE2 3.98Å; L530-F559 HydrophobicContact CB-CZ 4.14Å; L530-F559 HydrophobicContact CD2-CE2 4.43Å; L530-F559 HydrophobicContact CD2-CZ 4.08Å; L530-N560 PolarHBondContact N-O 2.67Å; L530-K561 HydrophobicContact CD2-CG 4.31Å; L530-E562 PolarHBondContact O-N 2.99Å
531C90.2Very high89.4Confident9 Ų943.7 Ų43.76%0.06124%0.235CC..EExtended strand (participates in β ladder)trans-118.6102.6161.3-177.70000108.9V401 A403 G406 P409 F410 E562V401-C531 PolarHBondContact O-N 2.79Å; A403-C531 PolarHBondContact N-O 3.09Å; G406-C531 WeakPolarHBondContact CA-SG 3.4Å; G406-C531 WeakPolarHBondContact O-CB 3.32Å; G406-C531 PolarHBondContact O-SG 2.99Å; P409-C531 HydrophobicContact CG-CB 3.86Å; F410-C531 HydrophobicContact CE2-CB 3.93Å; F410-C531 HydrophobicContact CZ-CB 4.16Å; C531-E562 HydrophobicContact CB-CB 3.9Å; C531-E562 HydrophobicContact CB-CG 4.08Å
532G88.8Confident89.4Confident24 Ų2449.4 Ų49.425%0.24726%0.259CS..SBendtrans169.6-171.1-17000000115.2
533P87.8Confident89.8Confident66 Ų6645.7 Ų45.743%0.42924%0.235SC..  trans-67.6151-169.926.7-34.2000113.2T535 L536 A537P533-T535 PolarHBondContact O-N 3.45Å; P533-L536 HydrophobicContact CG-CB 4.02Å; P533-L536 WeakPolarHBondContact O-CB 3.38Å; P533-L536 PolarHBondContact O-N 3.49Å; P533-L536 VanDerWaalsContact O-N 3.09Å; P533-A537 PolarHBondContact O-N 2.94Å; P533-A537 VanDerWaalsContact O-N 3.08Å
534Q85Confident90Very high69 Ų6938.7 Ų38.732%0.32221%0.205SC..Hα-helixtrans-61.9-29.5-177.2-17064.211.500113.4A537 K538Q534-A537 WeakPolarHBondContact O-CB 3.49Å; Q534-A537 PolarHBondContact O-N 3.2Å; Q534-K538 WeakPolarHBondContact O-CG 3.41Å; Q534-K538 PolarHBondContact O-N 2.89Å
535T88.8Confident90Very high104 Ų10440.3 Ų40.364%0.63821%0.21SC*.Hα-helixtrans-62.8-44.9175.147.90000111.3P533 A537 K538 S539P533-T535 PolarHBondContact O-N 3.45Å; T535-A537 VanDerWaalsContact C-N 3.34Å; T535-K538 PolarHBondContact O-N 2.64Å; T535-S539 PolarHBondContact O-N 2.97Å; T535-S539 PolarHBondContact O-OG 3.3Å
536L90.9Very high90Very high22 Ų2246.5 Ų46.512%0.11523%0.23CC..Hα-helixtrans-65.4-39174.3-179.556.4000111.4V401 A403 I438 W510 L530 P533 K538 S539 L540V401-L536 HydrophobicContact CG1-CD2 4.1Å; A403-L536 HydrophobicContact CB-CD2 4.35Å; I438-L536 HydrophobicContact CD1-CD2 3.9Å; W510-L536 HydrophobicContact CZ2-CD1 3.76Å; L530-L536 HydrophobicContact CD1-CD2 3.63Å; L530-L536 HydrophobicContact CD1-CG 3.94Å; L530-L536 HydrophobicContact CD2-CB 4.45Å; L530-L536 HydrophobicContact CD2-CG 4.26Å; P533-L536 HydrophobicContact CG-CB 4.02Å; P533-L536 WeakPolarHBondContact O-CB 3.38Å; P533-L536 PolarHBondContact O-N 3.49Å; P533-L536 VanDerWaalsContact O-N 3.09Å; L536-K538 VanDerWaalsContact C-N 3.32Å; L536-K538 PolarHBondContact O-N 3.38Å; L536-S539 PolarHBondContact O-N 2.87Å; L536-L540 HydrophobicContact CD1-CD1 4.31Å; L536-L540 HydrophobicContact CD1-CG 4.11Å; L536-L540 HydrophobicContact CG-CD1 4.19Å; L536-L540 HydrophobicContact CG-CG 4.41Å; L536-L540 PolarHBondContact O-N 3.26Å
537A90.1Very high89.7Confident0 Ų049 Ų490%024%0.239CC..Hα-helixtrans-58-42.7175.300000112.7L530 P533 Q534 T535 R541 F559 K561L530-A537 HydrophobicContact CD2-CB 3.43Å; L530-A537 VanDerWaalsContact CD2-CB 3.43Å; L530-A537 VanDerWaalsContact CD2-N 3.33Å; P533-A537 PolarHBondContact O-N 2.94Å; P533-A537 VanDerWaalsContact O-N 3.08Å; Q534-A537 WeakPolarHBondContact O-CB 3.49Å; Q534-A537 PolarHBondContact O-N 3.2Å; T535-A537 VanDerWaalsContact C-N 3.34Å; A537-R541 WeakPolarHBondContact O-CB 3.38Å; A537-R541 PolarHBondContact O-N 3.42Å; A537-F559 HydrophobicContact CB-CE1 4.44Å; A537-F559 HydrophobicContact CB-CZ 3.97Å; A537-K561 HydrophobicContact CB-CD 3.86Å; A537-K561 HydrophobicContact CB-CG 4.21Å
538K89.6Confident89.4Confident143 Ų14349.4 Ų49.462%0.62224%0.242SC*.Hα-helixtrans-61.9-44176.2-71.7178.5-178.6-1770111.5Q534 T535 L536 K542Q534-K538 WeakPolarHBondContact O-CG 3.41Å; Q534-K538 PolarHBondContact O-N 2.89Å; T535-K538 PolarHBondContact O-N 2.64Å; L536-K538 VanDerWaalsContact C-N 3.32Å; L536-K538 PolarHBondContact O-N 3.38Å; K538-K542 WeakPolarHBondContact O-CB 3.39Å; K538-K542 PolarHBondContact O-N 2.71Å
539S91.8Very high88.6Confident59 Ų5950.8 Ų50.841%0.41325%0.252SS..Hα-helixtrans-64.7-48.9179.3-60.50000112.6T535 L536 R541 K542 C543T535-S539 PolarHBondContact O-N 2.97Å; T535-S539 PolarHBondContact O-OG 3.3Å; L536-S539 PolarHBondContact O-N 2.87Å; S539-R541 VanDerWaalsContact C-N 3.35Å; S539-R541 PolarHBondContact O-N 3.32Å; S539-K542 WeakPolarHBondContact O-CB 3.47Å; S539-K542 PolarHBondContact O-N 3.09Å; S539-C543 PolarHBondContact O-N 2.75Å; S539-C543 PolarHBondContact O-SG 3.28Å
540L92.8Very high87.4Confident0 Ų055 Ų550%027%0.274CS..Hα-helixtrans-63.6-41.2178.1-71.7179.7000111.8V401 W510 F514 L530 L536 K542 C543 C544 F559V401-L540 HydrophobicContact CB-CD1 4.06Å; V401-L540 HydrophobicContact CG1-CD1 4.09Å; V401-L540 HydrophobicContact CG2-CD1 3.94Å; W510-L540 HydrophobicContact CD2-CD2 3.41Å; W510-L540 VanDerWaalsContact CD2-CD2 3.41Å; W510-L540 HydrophobicContact CE3-CD2 3.57Å; W510-L540 HydrophobicContact CG-CD2 3.93Å; W510-L540 HydrophobicContact CH2-CD2 4.05Å; W510-L540 HydrophobicContact CZ2-CD2 3.9Å; W510-L540 HydrophobicContact CZ3-CD2 3.89Å; F514-L540 HydrophobicContact CE2-CD2 3.8Å; F514-L540 HydrophobicContact CZ-CD2 4.15Å; L530-L540 HydrophobicContact CB-CD1 4.04Å; L530-L540 HydrophobicContact CD1-CD1 3.96Å; L530-L540 HydrophobicContact CD2-CD1 4.11Å; L530-L540 HydrophobicContact CG-CD1 4.25Å; L536-L540 HydrophobicContact CD1-CD1 4.31Å; L536-L540 HydrophobicContact CD1-CG 4.11Å; L536-L540 HydrophobicContact CG-CD1 4.19Å; L536-L540 HydrophobicContact CG-CG 4.41Å; L536-L540 PolarHBondContact O-N 3.26Å; L540-K542 VanDerWaalsContact C-N 3.34Å; L540-K542 PolarHBondContact O-N 2.9Å; L540-C543 PolarHBondContact O-N 2.77Å; L540-C544 PolarHBondContact O-N 3.22Å; L540-C544 PolarHBondContact O-SG 3.41Å; L540-F559 HydrophobicContact CB-CD2 4.12Å; L540-F559 HydrophobicContact CB-CE2 3.62Å; L540-F559 HydrophobicContact CB-CZ 4.44Å; L540-F559 HydrophobicContact CD1-CE2 4.25Å
541R90.1Very high86.5Confident95 Ų9557.8 Ų57.836%0.35829%0.289SS..Hα-helixtrans-60.7-43.2175.6-172.4-179.3-63.5-179.7-6111.5A537 S539 C543 C544 H545 F559A537-R541 WeakPolarHBondContact O-CB 3.38Å; A537-R541 PolarHBondContact O-N 3.42Å; S539-R541 VanDerWaalsContact C-N 3.35Å; S539-R541 PolarHBondContact O-N 3.32Å; R541-C543 VanDerWaalsContact C-N 3.33Å; R541-C543 PolarHBondContact O-N 3.07Å; R541-C544 PolarHBondContact O-N 3.26Å; R541-H545 PolarHBondContact O-CD2 2.72Å; R541-H545 PolarHBondContact O-N 2.96Å; R541-F559 HydrophobicContact CB-CD1 4Å; R541-F559 HydrophobicContact CB-CE1 4.16Å; R541-F559 HydrophobicContact CB-CG 4.28Å; R541-F559 HydrophobicContact CG-CD1 4.16Å
542K90.1Very high85.4Confident157 Ų15762.2 Ų62.268%0.68332%0.318SS*.Hα-helixtrans-59.3-43.9174.8-174.1-178.2178.4-175.90111.4K538 S539 L540 H545 R546K538-K542 WeakPolarHBondContact O-CB 3.39Å; K538-K542 PolarHBondContact O-N 2.71Å; S539-K542 WeakPolarHBondContact O-CB 3.47Å; S539-K542 PolarHBondContact O-N 3.09Å; L540-K542 VanDerWaalsContact C-N 3.34Å; L540-K542 PolarHBondContact O-N 2.9Å; K542-H545 PolarHBondContact O-N 2.83Å; K542-R546 WeakPolarHBondContact O-CB 3.43Å; K542-R546 PolarHBondContact O-N 3.17Å
543C90.6Very high84.6Confident9 Ų970 Ų706%0.06134%0.339CS..Hα-helixtrans-64.2-46.8177-61.70000111.5F514 S539 L540 R541 H545 R546 Y547F514-C543 HydrophobicContact CD1-CB 4.03Å; F514-C543 HydrophobicContact CD2-CB 3.97Å; F514-C543 HydrophobicContact CE1-CB 4.14Å; F514-C543 HydrophobicContact CE2-CB 4.08Å; F514-C543 HydrophobicContact CG-CB 3.93Å; F514-C543 HydrophobicContact CZ-CB 4.16Å; S539-C543 PolarHBondContact O-N 2.75Å; S539-C543 PolarHBondContact O-SG 3.28Å; L540-C543 PolarHBondContact O-N 2.77Å; R541-C543 VanDerWaalsContact C-N 3.33Å; R541-C543 PolarHBondContact O-N 3.07Å; C543-H545 VanDerWaalsContact C-N 3.27Å; C543-H545 PolarHBondContact O-N 3.02Å; C543-R546 PolarHBondContact O-N 2.9Å; C543-R546 VanDerWaalsContact O-N 3.08Å; C543-Y547 HydrophobicContact CB-CD2 4.37Å; C543-Y547 VanDerWaalsContact O-CD2 3.28Å; C543-Y547 WeakPolarHBondContact O-CD2 3.34Å; C543-Y547 PolarHBondContact O-N 3.43Å
544C89.4Confident84.1Confident1 Ų172.6 Ų72.61%0.00734%0.344CS..Hα-helixtrans-54.4-44.4175.8-65.50000111.5F514 L540 R541 S548 F557 F559F514-C544 HydrophobicContact CE1-CB 4.44Å; F514-C544 VanDerWaalsContact CE1-SG 3.53Å; L540-C544 PolarHBondContact O-N 3.22Å; L540-C544 PolarHBondContact O-SG 3.41Å; R541-C544 PolarHBondContact O-N 3.26Å; C544-S548 WeakPolarHBondContact O-CB 3.44Å; C544-S548 PolarHBondContact O-N 2.63Å; C544-F557 HydrophobicContact CB-CB 3.97Å; C544-F559 HydrophobicContact CB-CB 4.24Å
545H85.7Confident84.2Confident52 Ų5269.6 Ų69.624%0.24133%0.331CS..Hα-helixtrans-67.5-36.7178.1-74.2-56.7000113.9N3 H8 R541 K542 C543N3-H545 PolarHBondContact ND2-O 3.31Å; H8-H545 AromaticContact CE1-CE1 3.68Å; R541-H545 PolarHBondContact O-CD2 2.72Å; R541-H545 PolarHBondContact O-N 2.96Å; K542-H545 PolarHBondContact O-N 2.83Å; C543-H545 VanDerWaalsContact C-N 3.27Å; C543-H545 PolarHBondContact O-N 3.02Å
546R87.1Confident84.1Confident166 Ų16666.4 Ų66.463%0.62631%0.309SS*.Hα-helixtrans-70.4-43.7-178.8-175.5-179.9-176.6176.64.8112.1D511 K542 C543D511-R546 IonicContact OD1-CZ 2.89Å; D511-R546 IonicContact OD1-NH1 3.85Å; D511-R546 PolarHBondContact OD1-NH1 3.39Å; D511-R546 IonicContact OD2-NH1 3.66Å; K542-R546 WeakPolarHBondContact O-CB 3.43Å; K542-R546 PolarHBondContact O-N 3.17Å; C543-R546 PolarHBondContact O-N 2.9Å; C543-R546 VanDerWaalsContact O-N 3.08Å
547Y86.8Confident84Confident52 Ų5265.4 Ų65.420%0.20430%0.303CS..Hα-helixtrans-96.9-10.6-173.4-66-79000114.1D511 F514 C543D511-Y547 HydrophobicContact CB-CE2 4.46Å; D511-Y547 WeakPolarHBondContact CB-OH 3.45Å; D511-Y547 PolarHBondContact O-OH 3.39Å; D511-Y547 WeakPolarHBondContact OD1-CE2 3.39Å; D511-Y547 PolarHBondContact OD1-OH 3.23Å; F514-Y547 HydrophobicContact CB-CD2 3.51Å; F514-Y547 HydrophobicContact CB-CE2 3.95Å; F514-Y547 HydrophobicContact CB-CG 3.92Å; F514-Y547 HydrophobicContact CD1-CD2 4.4Å; F514-Y547 HydrophobicContact CG-CD2 4.25Å; C543-Y547 HydrophobicContact CB-CD2 4.37Å; C543-Y547 VanDerWaalsContact O-CD2 3.28Å; C543-Y547 WeakPolarHBondContact O-CD2 3.34Å; C543-Y547 PolarHBondContact O-N 3.43Å
548S84.6Confident83.8Confident9 Ų967.6 Ų67.66%0.06331%0.312CS..  trans-70.8150.8169-167.80000110.3N3 C544 F557N3-S548 VanDerWaalsContact CG-O 3.27Å; N3-S548 PolarHBondContact ND2-O 2.95Å; C544-S548 WeakPolarHBondContact O-CB 3.44Å; C544-S548 PolarHBondContact O-N 2.63Å; S548-F557 PolarHBondContact OG-N 2.69Å
549S76.1Confident83.7Confident30 Ų3061.8 Ų61.821%0.2129%0.287CS..  trans-129.9147.9175.6-164.70000111.6N3 D551 V555N3-S549 WeakPolarHBondContact OD1-CA 3.5Å; S549-D551 VanDerWaalsContact C-N 3.27Å; S549-D551 PolarHBondContact OG-N 3.06Å; S549-V555 PolarHBondContact N-O 3.13Å
550L68Low83.5Confident87 Ų8759.7 Ų59.746%0.45527%0.271SS..SBendtrans-70.4-24.2169.9-78.5-174.4000113.2G2 N3 V6 P552G2-L550 WeakPolarHBondContact O-CD2 3.35Å; N3-L550 PolarHBondContact OD1-N 2.97Å; V6-L550 HydrophobicContact CB-CD2 4.3Å; V6-L550 HydrophobicContact CG2-CD2 3.19Å; L550-P552 WeakPolarHBondContact O-CD 3.28Å
551D71.9Confident82.9Confident60 Ų6061.7 Ų61.732%0.32128%0.279SS..SBendtrans-71.3118.5-179.9-177.3-6.2000109S549 R553 K554S549-D551 VanDerWaalsContact C-N 3.27Å; S549-D551 PolarHBondContact OG-N 3.06Å; D551-R553 PolarHBondContact O-N 3.09Å; D551-R553 VanDerWaalsContact OD1-CB 3.28Å; D551-R553 WeakPolarHBondContact OD1-CB 3.31Å; D551-R553 WeakPolarHBondContact OD1-CG 3.35Å; D551-R553 PolarHBondContact OD1-N 2.76Å; D551-K554 HydrophobicContact CB-CB 4.46Å; D551-K554 HydrophobicContact CB-CD 4.32Å; D551-K554 HydrophobicContact CB-CG 4.32Å; D551-K554 PolarHBondContact O-N 3.37Å
552P68.1Low82.2Confident101 Ų10157.7 Ų57.766%0.65627%0.265SS*.THydrogen-bonded Turntrans-62.2-10.6177.825.4-33.6000113.3L550 K554L550-P552 WeakPolarHBondContact O-CD 3.28Å; P552-K554 VanDerWaalsContact C-N 3.29Å
553R71.1Confident80.9Confident187 Ų18755.2 Ų55.271%0.70626%0.259SS*.THydrogen-bonded Turntrans-80.8-8.6172.5-59.3176.9179.5-171.80.8113.4K523 D551K523-R553 VanDerWaalsContact CG-O 3.22Å; K523-R553 WeakPolarHBondContact CG-O 3.34Å; D551-R553 PolarHBondContact O-N 3.09Å; D551-R553 VanDerWaalsContact OD1-CB 3.28Å; D551-R553 WeakPolarHBondContact OD1-CB 3.31Å; D551-R553 WeakPolarHBondContact OD1-CG 3.35Å; D551-R553 PolarHBondContact OD1-N 2.76Å
554K78.8Confident79.2Confident122 Ų12260.1 Ų60.153%0.5328%0.279SS..SBendtrans-115.5165.2-178.2-68-176.5-177.4-178.50110.6D551 P552D551-K554 HydrophobicContact CB-CB 4.46Å; D551-K554 HydrophobicContact CB-CD 4.32Å; D551-K554 HydrophobicContact CB-CG 4.32Å; D551-K554 PolarHBondContact O-N 3.37Å; P552-K554 VanDerWaalsContact C-N 3.29Å
555V85.6Confident78.7Confident6 Ų663.1 Ų63.14%0.03629%0.293CS..  trans-64.7145.8-178.870.40000111.5A518 S524 V526 S549 F557A518-V555 HydrophobicContact CB-CG1 3.53Å; S524-V555 WeakPolarHBondContact O-CG2 3.36Å; V526-V555 HydrophobicContact CG2-CG2 3.45Å; V526-V555 VanDerWaalsContact CG2-CG2 3.45Å; S549-V555 PolarHBondContact N-O 3.13Å; V555-F557 HydrophobicContact CB-CE2 4.37Å; V555-F557 HydrophobicContact CG1-CD2 4.07Å; V555-F557 HydrophobicContact CG1-CE2 3.46Å; V555-F557 VanDerWaalsContact CG1-CE2 3.46Å; V555-F557 HydrophobicContact CG1-CZ 4.22Å; V555-F557 HydrophobicContact CG2-CD2 4.38Å; V555-F557 HydrophobicContact CG2-CE2 3.95Å; V555-F557 HydrophobicContact CG2-CZ 4.1Å
556Q87Confident78.4Confident37 Ų3763.6 Ų63.617%0.17330%0.296CS..EExtended strand (participates in β ladder)trans-120.3123.7172.2-65.5-177.3-3.800110.3S524 V526 Y558S524-Q556 PolarHBondContact O-N 3.07Å; S524-Q556 VanDerWaalsContact O-N 3.17Å; V526-Q556 PolarHBondContact N-O 3.22Å; Q556-Y558 HydrophobicContact CB-CD2 4.45Å; Q556-Y558 HydrophobicContact CB-CE2 3.7Å; Q556-Y558 PolarHBondContact OE1-OH 3.46Å
557F88.8Confident77.9Confident0 Ų057.9 Ų57.90%028%0.277CS..EExtended strand (participates in β ladder)trans-100.1130176-67.6-87.6000111.3N7 F514 I517 A518 V526 V528 C544 S548 V555N7-F557 PolarHBondContact ND2-O 3.12Å; F514-F557 AromaticContact CD1-CD1 3.84Å; F514-F557 HydrophobicContact CD1-CD1 3.84Å; F514-F557 HydrophobicContact CD1-CD2 4.39Å; F514-F557 AromaticContact CD1-CE1 3.7Å; F514-F557 HydrophobicContact CD1-CE1 3.7Å; F514-F557 HydrophobicContact CD1-CE2 4.25Å; F514-F557 HydrophobicContact CD1-CG 4.18Å; F514-F557 AromaticContact CD1-CZ 3.92Å; F514-F557 HydrophobicContact CD1-CZ 3.92Å; F514-F557 AromaticContact CE1-CD1 3.69Å; F514-F557 HydrophobicContact CE1-CD1 3.69Å; F514-F557 AromaticContact CE1-CE1 3.93Å; F514-F557 HydrophobicContact CE1-CE1 3.93Å; F514-F557 HydrophobicContact CE1-CG 4.15Å; I517-F557 HydrophobicContact CB-CE1 4.42Å; I517-F557 HydrophobicContact CB-CZ 4.3Å; I517-F557 HydrophobicContact CG2-CE1 3.85Å; I517-F557 HydrophobicContact CG2-CZ 3.98Å; A518-F557 HydrophobicContact CB-CE2 4.07Å; A518-F557 HydrophobicContact CB-CZ 4.19Å; V526-F557 HydrophobicContact CB-CD1 3.67Å; V526-F557 HydrophobicContact CB-CE1 3.88Å; V526-F557 HydrophobicContact CB-CG 4.42Å; V526-F557 HydrophobicContact CG1-CD1 3.73Å; V526-F557 HydrophobicContact CG1-CE1 3.76Å; V526-F557 HydrophobicContact CG2-CD1 4.26Å; V526-F557 HydrophobicContact CG2-CE1 4.04Å; V526-F557 WeakPolarHBondContact O-CA 3.29Å; V528-F557 HydrophobicContact CG2-CD1 3.86Å; C544-F557 HydrophobicContact CB-CB 3.97Å; S548-F557 PolarHBondContact OG-N 2.69Å; V555-F557 HydrophobicContact CB-CE2 4.37Å; V555-F557 HydrophobicContact CG1-CD2 4.07Å; V555-F557 HydrophobicContact CG1-CE2 3.46Å; V555-F557 VanDerWaalsContact CG1-CE2 3.46Å; V555-F557 HydrophobicContact CG1-CZ 4.22Å; V555-F557 HydrophobicContact CG2-CD2 4.38Å; V555-F557 HydrophobicContact CG2-CE2 3.95Å; V555-F557 HydrophobicContact CG2-CZ 4.1Å
558Y86.2Confident77.4Confident47 Ų4758.3 Ų58.318%0.18428%0.282CS..EExtended strand (participates in β ladder)trans-116.1116.8175.9-68.1-92.8000109.6N7 Y395 V525 V526 V528 Q556N7-Y558 VanDerWaalsContact OD1-CD1 3.3Å; N7-Y558 WeakPolarHBondContact OD1-CD1 3.41Å; N7-Y558 WeakPolarHBondContact OD1-CE1 3.38Å; Y395-Y558 HydrophobicContact CE1-CD2 4.14Å; Y395-Y558 HydrophobicContact CE1-CG 4.15Å; V525-Y558 HydrophobicContact CG1-CD2 3.56Å; V525-Y558 HydrophobicContact CG1-CE2 3.43Å; V525-Y558 VanDerWaalsContact CG1-CE2 3.43Å; V526-Y558 PolarHBondContact O-N 3.3Å; V528-Y558 PolarHBondContact N-O 3.39Å; Q556-Y558 HydrophobicContact CB-CD2 4.45Å; Q556-Y558 HydrophobicContact CB-CE2 3.7Å; Q556-Y558 PolarHBondContact OE1-OH 3.46Å
559F87.8Confident76.9Confident21 Ų2161.4 Ų61.49%0.09230%0.295CS..EExtended strand (participates in β ladder)trans-90.7124.9-179.7-177.2-105.8000111.5V528 L530 A537 L540 R541 C544 K561V528-F559 HydrophobicContact CB-CD2 4.38Å; V528-F559 HydrophobicContact CG1-CD2 4.11Å; L530-F559 HydrophobicContact CB-CE2 3.98Å; L530-F559 HydrophobicContact CB-CZ 4.14Å; L530-F559 HydrophobicContact CD2-CE2 4.43Å; L530-F559 HydrophobicContact CD2-CZ 4.08Å; A537-F559 HydrophobicContact CB-CE1 4.44Å; A537-F559 HydrophobicContact CB-CZ 3.97Å; L540-F559 HydrophobicContact CB-CD2 4.12Å; L540-F559 HydrophobicContact CB-CE2 3.62Å; L540-F559 HydrophobicContact CB-CZ 4.44Å; L540-F559 HydrophobicContact CD1-CE2 4.25Å; R541-F559 HydrophobicContact CB-CD1 4Å; R541-F559 HydrophobicContact CB-CE1 4.16Å; R541-F559 HydrophobicContact CB-CG 4.28Å; R541-F559 HydrophobicContact CG-CD1 4.16Å; C544-F559 HydrophobicContact CB-CB 4.24Å; F559-K561 HydrophobicContact CE1-CB 3.79Å; F559-K561 HydrophobicContact CE1-CG 4.46Å; F559-K561 HydrophobicContact CZ-CB 3.98Å; F559-K561 HydrophobicContact CZ-CG 4.31Å
560N86.3Confident77Confident14 Ų1463.5 Ų63.58%0.07530%0.301CS..EExtended strand (participates in β ladder)trans-123.4127.6176.7-57.7-51.9000108.2A388 Y395 V528 F529 L530A388-N560 HydrophobicContact CB-CB 4.22Å; Y395-N560 PolarHBondContact OH-ND2 3.44Å; V528-N560 PolarHBondContact O-N 2.73Å; F529-N560 WeakPolarHBondContact CA-O 3.44Å; F529-N560 HydrophobicContact CD1-CB 3.65Å; F529-N560 HydrophobicContact CE1-CB 3.84Å; F529-N560 VanDerWaalsContact CE1-ND2 3.33Å; F529-N560 WeakPolarHBondContact CE1-ND2 3.05Å; F529-N560 HydrophobicContact CG-CB 4.39Å; L530-N560 PolarHBondContact N-O 2.67Å
561K82.1Confident77.6Confident43 Ų4361.8 Ų61.819%0.18729%0.29CS..EExtended strand (participates in β ladder)trans-118.4123.8-179.7-166.6-151.4165.8-153.10109.4L530 A537 F559 N563L530-K561 HydrophobicContact CD2-CG 4.31Å; A537-K561 HydrophobicContact CB-CD 3.86Å; A537-K561 HydrophobicContact CB-CG 4.21Å; F559-K561 HydrophobicContact CE1-CB 3.79Å; F559-K561 HydrophobicContact CE1-CG 4.46Å; F559-K561 HydrophobicContact CZ-CB 3.98Å; F559-K561 HydrophobicContact CZ-CG 4.31Å; K561-N563 PolarHBondContact NZ-OD1 3.34Å
562E74.5Confident78.1Confident10 Ų1061.9 Ų61.95%0.04729%0.288CS..  trans-71.2139166.8-61.9-54.7147.100110.5T387 A388 S389 L530 C531 F564T387-E562 WeakPolarHBondContact CB-OE2 3.32Å; A388-E562 PolarHBondContact N-OE1 2.96Å; S389-E562 WeakPolarHBondContact CA-OE1 3.42Å; S389-E562 VanDerWaalsContact CB-OE1 3.24Å; S389-E562 WeakPolarHBondContact CB-OE1 3.45Å; S389-E562 PolarHBondContact N-OE1 3.27Å; S389-E562 PolarHBondContact OG-OE1 3.08Å; L530-E562 PolarHBondContact O-N 2.99Å; C531-E562 HydrophobicContact CB-CB 3.9Å; C531-E562 HydrophobicContact CB-CG 4.08Å; E562-F564 HydrophobicContact CB-CD2 3.95Å; E562-F564 HydrophobicContact CB-CE2 3.57Å; E562-F564 HydrophobicContact CB-CZ 4.35Å; E562-F564 HydrophobicContact CG-CE2 3.91Å; E562-F564 HydrophobicContact CG-CZ 4.49Å
563N62.4Low78.9Confident106 Ų10658.7 Ų58.757%0.56726%0.257SS*.  trans-122.589.7174.5-60.8-61.7000107.7K561K561-N563 PolarHBondContact NZ-OD1 3.34Å
564F56.1Low79.6Confident111 Ų11147 Ų4749%0.48722%0.216SC..  trans-104.70166-54.2-66.6000108.9Y324 T341 T387 P409 E562Y324-F564 HydrophobicContact CD1-CD1 4.39Å; Y324-F564 AromaticContact CD1-CE1 3.63Å; Y324-F564 HydrophobicContact CD1-CE1 3.63Å; Y324-F564 HydrophobicContact CD2-CD1 4.5Å; Y324-F564 HydrophobicContact CD2-CE1 4.45Å; Y324-F564 HydrophobicContact CE1-CE1 4.34Å; Y324-F564 HydrophobicContact CG-CD1 4.14Å; Y324-F564 AromaticContact CG-CE1 3.68Å; Y324-F564 HydrophobicContact CG-CE1 3.68Å; T341-F564 HydrophobicContact CG2-CE2 4.44Å; T341-F564 HydrophobicContact CG2-CZ 4.23Å; T341-F564 WeakPolarHBondContact OG1-CE2 3.09Å; T387-F564 HydrophobicContact CG2-CE1 3.87Å; T387-F564 HydrophobicContact CG2-CZ 3.76Å; P409-F564 HydrophobicContact CG-CE2 4.28Å; E562-F564 HydrophobicContact CB-CD2 3.95Å; E562-F564 HydrophobicContact CB-CE2 3.57Å; E562-F564 HydrophobicContact CB-CZ 4.35Å; E562-F564 HydrophobicContact CG-CE2 3.91Å; E562-F564 HydrophobicContact CG-CZ 4.49Å

Retrieved 564 of 564 residues in 189.8 ms (Link to these results)

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