A0A077ZEE8_TRITR Loading...

Elongator complex protein 6

AlphaFold DB , UniProt , Accession A0A077ZEE8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 241 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
1M70.6Confident88.6Confident39 Ų3944.1 Ų44.119%0.19222%0.218CC..  0144.10-172.5-153.2-57.800107.5L13 L42M1-L13 HydrophobicContact CE-CD1 3.47Å; M1-L13 VanDerWaalsContact CE-CD1 3.47Å; M1-L13 HydrophobicContact CE-CD2 3.51Å; M1-L13 HydrophobicContact CE-CG 3.24Å; M1-L13 HydrophobicContact SD-CG 4.34Å; M1-L42 HydrophobicContact CE-CD1 3.94Å; M1-L42 HydrophobicContact CG-CD1 4.44Å; M1-L42 HydrophobicContact SD-CD1 4.11Å
2F83.9Confident89Confident4 Ų443.8 Ų43.82%0.01822%0.223CC..  trans-114.1105.3-171.1-47.2-46.3000108.5E4 L5 C6 F34 H38 F69 V228 F230F2-E4 VanDerWaalsContact C-N 3.34Å; F2-E4 PolarHBondContact O-N 2.76Å; F2-L5 HydrophobicContact CB-CB 3.79Å; F2-L5 HydrophobicContact CD2-CD2 3.98Å; F2-L5 PolarHBondContact O-N 2.69Å; F2-C6 PolarHBondContact O-N 3.34Å; F2-C6 PolarHBondContact O-SG 3.44Å; F2-F34 HydrophobicContact CE2-CD2 4.26Å; F2-H38 HydrophobicContact CD2-CB 3.71Å; F2-H38 AromaticContact CD2-CG 3.84Å; F2-H38 AromaticContact CD2-ND1 3.34Å; F2-H38 VanDerWaalsContact CD2-ND1 3.34Å; F2-H38 WeakPolarHBondContact CD2-ND1 3.48Å; F2-H38 HydrophobicContact CE2-CB 3.71Å; F2-H38 AromaticContact CG-ND1 3.72Å; F2-H38 PolarHBondContact N-ND1 2.57Å; F2-F69 AromaticContact CE1-CE1 3.63Å; F2-F69 HydrophobicContact CE1-CE1 3.63Å; F2-F69 HydrophobicContact CE1-CZ 4.41Å; F2-F69 AromaticContact CZ-CE1 3.53Å; F2-F69 HydrophobicContact CZ-CE1 3.53Å; F2-F69 AromaticContact CZ-CZ 3.95Å; F2-F69 HydrophobicContact CZ-CZ 3.95Å; F2-V228 HydrophobicContact CD1-CB 4.12Å; F2-V228 VanDerWaalsContact CD1-O 3.3Å; F2-V228 WeakPolarHBondContact CD1-O 3.42Å; F2-V228 HydrophobicContact CE1-CB 3.56Å; F2-V228 HydrophobicContact CE1-CG2 4.1Å; F2-V228 HydrophobicContact CE2-CB 4.11Å; F2-V228 HydrophobicContact CE2-CG2 4.44Å; F2-V228 HydrophobicContact CZ-CB 3.56Å; F2-V228 HydrophobicContact CZ-CG1 4.47Å; F2-V228 HydrophobicContact CZ-CG2 3.74Å; F2-F230 HydrophobicContact CB-CD2 3.88Å; F2-F230 HydrophobicContact CB-CE2 3.57Å; F2-F230 HydrophobicContact CD1-CE2 4.35Å; F2-F230 AromaticContact CD2-CE2 3.45Å; F2-F230 HydrophobicContact CD2-CE2 3.45Å; F2-F230 VanDerWaalsContact CD2-CE2 3.45Å; F2-F230 AromaticContact CD2-CZ 3.99Å; F2-F230 HydrophobicContact CD2-CZ 3.99Å; F2-F230 HydrophobicContact CE2-CE2 4.19Å; F2-F230 HydrophobicContact CE2-CZ 4.5Å; F2-F230 HydrophobicContact CG-CD2 4.27Å; F2-F230 AromaticContact CG-CE2 3.55Å; F2-F230 HydrophobicContact CG-CE2 3.55Å
3D85.2Confident89.3Confident98 Ų9845.7 Ų45.752%0.52423%0.234SC..Hα-helixtrans-67.8-36.4-170.1-66.7-22000111.9L5 C6 K7D3-L5 VanDerWaalsContact C-N 3.34Å; D3-C6 WeakPolarHBondContact O-CB 3.42Å; D3-C6 PolarHBondContact O-N 3.01Å; D3-K7 WeakPolarHBondContact O-CG 3.35Å; D3-K7 PolarHBondContact O-N 3.26Å
4E89.1Confident89.5Confident89 Ų8950.7 Ų50.742%0.41628%0.275SS..Hα-helixtrans-64.4-39.6174.4-68.174.7-157.300111.7F2 K7 A8 F230F2-E4 VanDerWaalsContact C-N 3.34Å; F2-E4 PolarHBondContact O-N 2.76Å; E4-K7 PolarHBondContact O-N 3.12Å; E4-A8 WeakPolarHBondContact O-CB 3.48Å; E4-A8 PolarHBondContact O-N 3.5Å; E4-F230 HydrophobicContact CB-CB 3.92Å
5L91.9Very high89.9Confident0 Ų055.7 Ų55.70%030%0.295CS..Hα-helixtrans-66.9-43.1175.2-174.563.5000111F2 D3 K7 A8 L9 L35 H38 L202 I204 L219 F230F2-L5 HydrophobicContact CB-CB 3.79Å; F2-L5 HydrophobicContact CD2-CD2 3.98Å; F2-L5 PolarHBondContact O-N 2.69Å; D3-L5 VanDerWaalsContact C-N 3.34Å; L5-K7 VanDerWaalsContact C-N 3.3Å; L5-K7 PolarHBondContact O-N 3.38Å; L5-A8 PolarHBondContact O-N 3.43Å; L5-L9 HydrophobicContact CD1-CD1 3.76Å; L5-L9 HydrophobicContact CD1-CG 3.98Å; L5-L9 HydrophobicContact CD2-CD1 4.33Å; L5-L9 HydrophobicContact CG-CD1 3.76Å; L5-L9 HydrophobicContact CG-CG 4.25Å; L5-L9 WeakPolarHBondContact O-CB 3.35Å; L5-L9 WeakPolarHBondContact O-CG 3.28Å; L5-L9 PolarHBondContact O-N 2.97Å; L5-L35 HydrophobicContact CD1-CD2 4.47Å; L5-L35 HydrophobicContact CD2-CD2 3.56Å; L5-H38 HydrophobicContact CD2-CB 4.3Å; L5-L202 HydrophobicContact CD1-CD2 3.6Å; L5-I204 HydrophobicContact CD1-CD1 4.45Å; L5-L219 HydrophobicContact CD1-CD1 4.27Å; L5-F230 HydrophobicContact CB-CD2 4.12Å; L5-F230 HydrophobicContact CB-CE2 4Å; L5-F230 HydrophobicContact CB-CZ 4.3Å; L5-F230 HydrophobicContact CD1-CE1 4.29Å; L5-F230 HydrophobicContact CD1-CZ 4.4Å; L5-F230 HydrophobicContact CD2-CE2 4.27Å; L5-F230 HydrophobicContact CD2-CZ 3.96Å; L5-F230 HydrophobicContact CG-CZ 4.45Å
6C92.4Very high90.3Very high7 Ų752.6 Ų52.65%0.04728%0.279CS..Hα-helixtrans-54-47.5173.9-79.50000111.4F2 D3 L9 D10 H11 H38F2-C6 PolarHBondContact O-N 3.34Å; F2-C6 PolarHBondContact O-SG 3.44Å; D3-C6 WeakPolarHBondContact O-CB 3.42Å; D3-C6 PolarHBondContact O-N 3.01Å; C6-L9 PolarHBondContact O-N 2.91Å; C6-D10 PolarHBondContact O-N 3.27Å; C6-H11 CarbonylContact C-O 3.51Å; C6-H11 VanDerWaalsContact CB-O 3.22Å; C6-H11 WeakPolarHBondContact CB-O 3.19Å; C6-H11 PolarHBondContact O-N 2.79Å; C6-H11 VanDerWaalsContact O-O 3.1Å; C6-H38 PolarHBondContact SG-CE1 3.06Å
7K91.1Very high90.6Very high151 Ų15149.8 Ų49.866%0.65726%0.264SS*.Hα-helixtrans-61.9-46.1175.8-70.9170.5-175.5171.20111.9D3 E4 L5 L9 D10D3-K7 WeakPolarHBondContact O-CG 3.35Å; D3-K7 PolarHBondContact O-N 3.26Å; E4-K7 PolarHBondContact O-N 3.12Å; L5-K7 VanDerWaalsContact C-N 3.3Å; L5-K7 PolarHBondContact O-N 3.38Å; K7-L9 VanDerWaalsContact C-N 3.27Å; K7-L9 PolarHBondContact O-N 3.01Å; K7-D10 PolarHBondContact O-N 3.43Å
8A91.3Very high90.8Very high10 Ų1048.6 Ų48.68%0.08326%0.26CS..Hα-helixtrans-65.8-31-178.800000113.1E4 L5 I204 R217 L219E4-A8 WeakPolarHBondContact O-CB 3.48Å; E4-A8 PolarHBondContact O-N 3.5Å; L5-A8 PolarHBondContact O-N 3.43Å; A8-I204 HydrophobicContact CB-CD1 3.81Å; A8-R217 PolarHBondContact O-NH1 3.22Å; A8-L219 HydrophobicContact CB-CD1 3.72Å; A8-L219 HydrophobicContact CB-CG 4.45Å
9L93Very high90.8Very high0 Ų048.4 Ų48.40%027%0.271CS..Hα-helixtrans-93.2-0.4178.8-62.1-178.9000114L5 C6 K7 H11 R20 F22 F39 L185 I204 R206L5-L9 HydrophobicContact CD1-CD1 3.76Å; L5-L9 HydrophobicContact CD1-CG 3.98Å; L5-L9 HydrophobicContact CD2-CD1 4.33Å; L5-L9 HydrophobicContact CG-CD1 3.76Å; L5-L9 HydrophobicContact CG-CG 4.25Å; L5-L9 WeakPolarHBondContact O-CB 3.35Å; L5-L9 WeakPolarHBondContact O-CG 3.28Å; L5-L9 PolarHBondContact O-N 2.97Å; C6-L9 PolarHBondContact O-N 2.91Å; K7-L9 VanDerWaalsContact C-N 3.27Å; K7-L9 PolarHBondContact O-N 3.01Å; L9-H11 VanDerWaalsContact CB-CE1 3.44Å; L9-H11 WeakPolarHBondContact CB-CE1 3.35Å; L9-H11 VanDerWaalsContact CD1-CE1 3.44Å; L9-H11 WeakPolarHBondContact CD1-CE1 3.41Å; L9-R20 PolarHBondContact O-NH1 2.98Å; L9-R20 PolarHBondContact O-NH2 3.46Å; L9-F22 HydrophobicContact CD1-CE1 4.32Å; L9-F22 HydrophobicContact CD2-CE1 4.36Å; L9-F39 HydrophobicContact CD1-CZ 4.06Å; L9-L185 HydrophobicContact CD1-CD1 4.33Å; L9-L185 HydrophobicContact CD2-CD2 3.69Å; L9-I204 HydrophobicContact CD2-CD1 3.91Å; L9-I204 HydrophobicContact CD2-CG1 4.37Å; L9-I204 HydrophobicContact CD2-CG2 3.67Å; L9-R206 VanDerWaalsContact C-NH2 3.33Å; L9-R206 PolarHBondContact O-NH2 3.44Å
10D92.4Very high90.9Very high78 Ų7848.1 Ų48.142%0.41727%0.265SS..THydrogen-bonded Turntrans56.545-179-52.1-63000113.3C6 K7 R206 R217C6-D10 PolarHBondContact O-N 3.27Å; K7-D10 PolarHBondContact O-N 3.43Å; D10-R206 IonicContact OD2-CZ 2.88Å; D10-R206 IonicContact OD2-NH1 2.75Å; D10-R206 PolarHBondContact OD2-NH1 2.92Å; D10-R206 IonicContact OD2-NH2 2.65Å; D10-R206 PolarHBondContact OD2-NH2 3.23Å; D10-R217 IonicContact OD1-NH1 3.94Å; D10-R217 IonicContact OD2-NH1 3.23Å
11H93.6Very high91.1Very high9 Ų946.4 Ų46.44%0.04226%0.256CS..  trans-137.7166.9174.362.8-130.9000112.6C6 L9 H15 P17 H38 F39C6-H11 CarbonylContact C-O 3.51Å; C6-H11 VanDerWaalsContact CB-O 3.22Å; C6-H11 WeakPolarHBondContact CB-O 3.19Å; C6-H11 PolarHBondContact O-N 2.79Å; C6-H11 VanDerWaalsContact O-O 3.1Å; L9-H11 VanDerWaalsContact CB-CE1 3.44Å; L9-H11 WeakPolarHBondContact CB-CE1 3.35Å; L9-H11 VanDerWaalsContact CD1-CE1 3.44Å; L9-H11 WeakPolarHBondContact CD1-CE1 3.41Å; H11-H15 CarbonylContact C-O 3.52Å; H11-H15 WeakPolarHBondContact CA-O 3.42Å; H11-H15 WeakPolarHBondContact CB-O 3.48Å; H11-P17 HydrophobicContact CB-CB 4.02Å; H11-P17 HydrophobicContact CB-CG 4.25Å; H11-H38 AromaticContact CE1-NE2 3.96Å; H11-H38 AromaticContact NE2-NE2 3.1Å; H11-H38 PolarHBondContact NE2-NE2 3.07Å; H11-F39 AromaticContact CE1-CE1 3.71Å
12S94Very high92.4Very high41 Ų4144.6 Ų44.629%0.28725%0.247SC..  trans-158.9177.5179.162.40000111.1S14 H15 L16S12-S14 PolarHBondContact O-N 3.47Å; S12-S14 PolarHBondContact OG-OG 2.83Å; S12-S14 VanDerWaalsContact OG-OG 3.07Å; S12-H15 PolarHBondContact N-O 3.37Å; S12-H15 CarbonylContact O-C 3.56Å; S12-H15 PolarHBondContact O-N 3Å; S12-H15 VanDerWaalsContact O-N 3.12Å; S12-H15 VanDerWaalsContact O-O 3.05Å; S12-H15 PolarHBondContact OG-N 3.09Å; S12-L16 PolarHBondContact O-N 3.3Å
13L93Very high93.1Very high68 Ų6844.4 Ų44.436%0.35625%0.246SC..SBendtrans-57.1-35.3172.7-80.9171.3000113.3M1 L42 R45 A46M1-L13 HydrophobicContact CE-CD1 3.47Å; M1-L13 VanDerWaalsContact CE-CD1 3.47Å; M1-L13 HydrophobicContact CE-CD2 3.51Å; M1-L13 HydrophobicContact CE-CG 3.24Å; M1-L13 HydrophobicContact SD-CG 4.34Å; L13-L42 HydrophobicContact CD2-CD1 3.97Å; L13-L42 HydrophobicContact CG-CD1 4.19Å; L13-R45 HydrophobicContact CD2-CB 3.7Å; L13-A46 HydrophobicContact CD2-CB 4.1Å
14S92.2Very high93.7Very high116 Ų11639.7 Ų39.781%0.81122%0.221SC*.SBendtrans-84-18.1178.846.70000113.1S12S12-S14 PolarHBondContact O-N 3.47Å; S12-S14 PolarHBondContact OG-OG 2.83Å; S12-S14 VanDerWaalsContact OG-OG 3.07Å
15H94.5Very high94.1Very high126 Ų12636.8 Ų36.858%0.58321%0.207SC*.SBendtrans-136.882.4-178.4-165.179.5000109.8H11 S12H11-H15 CarbonylContact C-O 3.52Å; H11-H15 WeakPolarHBondContact CA-O 3.42Å; H11-H15 WeakPolarHBondContact CB-O 3.48Å; S12-H15 PolarHBondContact N-O 3.37Å; S12-H15 CarbonylContact O-C 3.56Å; S12-H15 PolarHBondContact O-N 3Å; S12-H15 VanDerWaalsContact O-N 3.12Å; S12-H15 VanDerWaalsContact O-O 3.05Å; S12-H15 PolarHBondContact OG-N 3.09Å
16L96Very high94.3Very high6 Ų637.1 Ų37.13%0.03121%0.208CC..  trans-68.9148.5179-62.7175.5000110.7S12 C18 L42 F43 A46 R48 Q123S12-L16 PolarHBondContact O-N 3.3Å; L16-C18 PolarHBondContact O-N 3.21Å; L16-L42 HydrophobicContact CD2-CD1 4.14Å; L16-L42 HydrophobicContact CD2-CD2 4.06Å; L16-L42 HydrophobicContact CD2-CG 3.69Å; L16-F43 HydrophobicContact CB-CE1 4.3Å; L16-F43 HydrophobicContact CB-CE2 4.46Å; L16-F43 HydrophobicContact CB-CZ 3.97Å; L16-F43 HydrophobicContact CD1-CD1 3.97Å; L16-F43 HydrophobicContact CD1-CE1 3.84Å; L16-F43 HydrophobicContact CD1-CG 4.49Å; L16-F43 HydrophobicContact CD1-CZ 4.28Å; L16-F43 HydrophobicContact CD2-CD2 4.32Å; L16-F43 HydrophobicContact CD2-CE2 4.3Å; L16-F43 HydrophobicContact CD2-CZ 4.49Å; L16-F43 HydrophobicContact CG-CZ 4.49Å; L16-A46 HydrophobicContact CD1-CB 3.93Å; L16-A46 HydrophobicContact CD2-CB 4.02Å; L16-A46 HydrophobicContact CG-CB 4.38Å; L16-R48 HydrophobicContact CD1-CB 4.41Å; L16-R48 HydrophobicContact CD1-CG 3.46Å; L16-R48 VanDerWaalsContact CD1-CG 3.46Å; L16-Q123 HydrophobicContact CD1-CB 4.26Å
17P95.4Very high94.3Very high4 Ų437.3 Ų37.33%0.02621%0.21CC..  trans-79.447.2-176.535.6-37.7000112.3H11 R20 F22 F39 F43H11-P17 HydrophobicContact CB-CB 4.02Å; H11-P17 HydrophobicContact CB-CG 4.25Å; P17-R20 WeakPolarHBondContact O-CB 3.45Å; P17-R20 PolarHBondContact O-N 2.94Å; P17-F22 HydrophobicContact CB-CE2 3.79Å; P17-F22 HydrophobicContact CB-CZ 3.8Å; P17-F22 HydrophobicContact CG-CE2 4.07Å; P17-F22 HydrophobicContact CG-CZ 4.29Å; P17-F39 HydrophobicContact CG-CD1 4.47Å; P17-F39 HydrophobicContact CG-CE1 4.11Å; P17-F43 HydrophobicContact CG-CE2 4.21Å
18C94Very high94.1Very high28 Ų2834.4 Ų34.419%0.18921%0.214CC..THydrogen-bonded Turntrans-65147.6177.4-63.90000111.4L16 R20 N158L16-C18 PolarHBondContact O-N 3.21Å; C18-R20 VanDerWaalsContact C-N 3.26Å; C18-R20 PolarHBondContact O-N 3.2Å; C18-N158 WeakPolarHBondContact CB-O 3.31Å; C18-N158 PolarHBondContact SG-O 3.08Å
19G91.7Very high94Very high45 Ų4540.5 Ų40.546%0.46424%0.241SC..THydrogen-bonded Turntrans75.512.7-175.700000113.9P157 S159G19-P157 WeakPolarHBondContact CA-O 3.32Å; G19-P157 PolarHBondContact N-O 2.78Å; G19-P157 VanDerWaalsContact N-O 3.15Å; G19-S159 PolarHBondContact N-O 3.43Å
20R93.4Very high93.9Very high43 Ų4341.6 Ų41.616%0.16225%0.246CC..  trans-120.2146.6177.7-67.3170.463.5-173.6-5.3111.6L9 P17 C18 F22 L161 D182 D183L9-R20 PolarHBondContact O-NH1 2.98Å; L9-R20 PolarHBondContact O-NH2 3.46Å; P17-R20 WeakPolarHBondContact O-CB 3.45Å; P17-R20 PolarHBondContact O-N 2.94Å; C18-R20 VanDerWaalsContact C-N 3.26Å; C18-R20 PolarHBondContact O-N 3.2Å; R20-F22 HydrophobicContact CB-CD2 4.44Å; R20-F22 HydrophobicContact CB-CE2 3.76Å; R20-F22 HydrophobicContact CB-CZ 4.31Å; R20-L161 PolarHBondContact O-N 3.37Å; R20-L161 VanDerWaalsContact O-N 3.08Å; R20-D182 WeakPolarHBondContact CA-OD2 3.48Å; R20-D183 IonicContact CZ-OD1 2.91Å; R20-D183 IonicContact CZ-OD2 3.4Å; R20-D183 VanDerWaalsContact CZ-OD2 3.23Å; R20-D183 IonicContact NE-OD2 2.79Å; R20-D183 PolarHBondContact NE-OD2 3.46Å; R20-D183 IonicContact NH2-OD1 3.91Å; R20-D183 PolarHBondContact NH2-OD1 2.92Å; R20-D183 IonicContact NH2-OD2 3.1Å; R20-D183 PolarHBondContact NH2-OD2 2.93Å
21T95.2Very high93.9Very high13 Ų1341.4 Ų41.48%0.0825%0.245CC..EExtended strand (participates in β ladder)trans-111.9125.8172.4-57.40000110.6L161 M163 D182 D183T21-L161 CarbonylContact C-O 3.41Å; T21-L161 WeakPolarHBondContact CA-O 3.44Å; T21-L161 HydrophobicContact CG2-CB 3.98Å; T21-L161 HydrophobicContact CG2-CD2 3.8Å; T21-L161 HydrophobicContact CG2-CG 3.92Å; T21-M163 HydrophobicContact CG2-CE 3.65Å; T21-D182 PolarHBondContact N-OD2 2.8Å; T21-D182 PolarHBondContact O-N 3.01Å; T21-D183 PolarHBondContact O-N 2.8Å
22F97.3Very high93.9Very high0 Ų041 Ų410%024%0.243CC..EExtended strand (participates in β ladder)trans-108.9134.2177-63.4-99.5000110.5L9 P17 R20 F39 L161 V162 M163 D183 L185L9-F22 HydrophobicContact CD1-CE1 4.32Å; L9-F22 HydrophobicContact CD2-CE1 4.36Å; P17-F22 HydrophobicContact CB-CE2 3.79Å; P17-F22 HydrophobicContact CB-CZ 3.8Å; P17-F22 HydrophobicContact CG-CE2 4.07Å; P17-F22 HydrophobicContact CG-CZ 4.29Å; R20-F22 HydrophobicContact CB-CD2 4.44Å; R20-F22 HydrophobicContact CB-CE2 3.76Å; R20-F22 HydrophobicContact CB-CZ 4.31Å; F22-F39 HydrophobicContact CB-CZ 4.4Å; F22-F39 HydrophobicContact CD1-CE1 4.37Å; F22-F39 AromaticContact CD1-CZ 3.67Å; F22-F39 HydrophobicContact CD1-CZ 3.67Å; F22-F39 HydrophobicContact CD2-CE1 4.05Å; F22-F39 HydrophobicContact CD2-CZ 4.04Å; F22-F39 HydrophobicContact CE1-CE1 4.28Å; F22-F39 AromaticContact CE1-CZ 3.86Å; F22-F39 HydrophobicContact CE1-CZ 3.86Å; F22-F39 AromaticContact CE2-CE1 3.96Å; F22-F39 HydrophobicContact CE2-CE1 3.96Å; F22-F39 HydrophobicContact CE2-CZ 4.22Å; F22-F39 HydrophobicContact CG-CE1 4.26Å; F22-F39 HydrophobicContact CG-CE2 4.48Å; F22-F39 AromaticContact CG-CZ 3.77Å; F22-F39 HydrophobicContact CG-CZ 3.77Å; F22-F39 HydrophobicContact CZ-CE1 4.07Å; F22-F39 HydrophobicContact CZ-CZ 4.12Å; F22-L161 PolarHBondContact N-O 3.03Å; F22-V162 HydrophobicContact CB-CG1 4.4Å; F22-V162 HydrophobicContact CB-CG2 4.22Å; F22-V162 HydrophobicContact CD2-CG2 4.29Å; F22-V162 WeakPolarHBondContact O-CA 3.46Å; F22-M163 PolarHBondContact O-N 3.1Å; F22-D183 CarbonylContact C-O 3.6Å; F22-D183 WeakPolarHBondContact CA-O 3.34Å; F22-D183 HydrophobicContact CD1-CB 3.44Å; F22-D183 VanDerWaalsContact CD1-CB 3.44Å; F22-D183 HydrophobicContact CE1-CB 3.66Å; F22-D183 HydrophobicContact CG-CB 4.21Å; F22-L185 HydrophobicContact CD1-CD1 4.22Å; F22-L185 HydrophobicContact CD1-CG 4.48Å
23L97.7Very high94Very high0 Ų039 Ų390%023%0.23CC..EExtended strand (participates in β ladder)trans-110.9116.2167.5179.868.1000109.6R25 M163 T165 C177 L178 S181 D183 V184 L185L23-R25 HydrophobicContact CD2-CG 3.85Å; L23-R25 HydrophobicContact CG-CG 3.8Å; L23-M163 CarbonylContact C-O 3.11Å; L23-M163 WeakPolarHBondContact CA-O 3.5Å; L23-M163 HydrophobicContact CD1-CB 4.29Å; L23-T165 HydrophobicContact CD1-CG2 3.84Å; L23-T165 HydrophobicContact CG-CG2 4.46Å; L23-C177 HydrophobicContact CD1-CB 3.83Å; L23-C177 HydrophobicContact CD2-CB 3.56Å; L23-C177 HydrophobicContact CG-CB 4.33Å; L23-L178 HydrophobicContact CD2-CD2 4.11Å; L23-S181 VanDerWaalsContact CB-OG 3.29Å; L23-S181 WeakPolarHBondContact CB-OG 3.38Å; L23-D183 PolarHBondContact N-O 2.84Å; L23-V184 HydrophobicContact CB-CG1 4.39Å; L23-V184 HydrophobicContact CB-CG2 4.49Å; L23-V184 HydrophobicContact CD2-CG1 4.2Å; L23-V184 HydrophobicContact CG-CG1 4.47Å; L23-V184 CarbonylContact O-C 3.57Å; L23-V184 WeakPolarHBondContact O-CA 3.26Å; L23-L185 PolarHBondContact O-N 2.84Å
24I98.3Very high94Very high0 Ų036.5 Ų36.50%022%0.216CC..EExtended strand (participates in β ladder)trans-88127.7167.6-64.8155.1000107.7L35 L36 V162 M163 K164 T165 L185I24-L35 HydrophobicContact CD1-CB 3.54Å; I24-L35 HydrophobicContact CD1-CD1 4.4Å; I24-L35 HydrophobicContact CG1-CB 4.04Å; I24-L35 HydrophobicContact CG1-CD1 3.98Å; I24-L35 HydrophobicContact CG2-CD1 3.97Å; I24-L36 HydrophobicContact CD1-CD2 3.47Å; I24-L36 VanDerWaalsContact CD1-CD2 3.47Å; I24-L36 HydrophobicContact CD1-CG 4.11Å; I24-V162 HydrophobicContact CD1-CG1 3.61Å; I24-V162 HydrophobicContact CG1-CG1 4.45Å; I24-M163 PolarHBondContact N-O 2.83Å; I24-K164 HydrophobicContact CB-CB 4.1Å; I24-K164 HydrophobicContact CB-CG 4.33Å; I24-K164 HydrophobicContact CG2-CB 4.48Å; I24-K164 HydrophobicContact CG2-CG 4.18Å; I24-K164 CarbonylContact O-C 3.5Å; I24-K164 VanDerWaalsContact O-CA 3.32Å; I24-K164 WeakPolarHBondContact O-CA 3.45Å; I24-T165 PolarHBondContact O-N 3.17Å; I24-L185 WeakPolarHBondContact CA-O 3.38Å; I24-L185 HydrophobicContact CG1-CB 4.13Å; I24-L185 HydrophobicContact CG1-CD1 4.07Å
25R97.5Very high94.2Very high27 Ų2731 Ų3110%0.10218%0.177CC..EExtended strand (participates in β ladder)trans-120.6121.9171.1-54.4-165.6-55.8160.718.9108.3L23 T165 E174 V184 L185 D186 V187L23-R25 HydrophobicContact CD2-CG 3.85Å; L23-R25 HydrophobicContact CG-CG 3.8Å; R25-T165 WeakPolarHBondContact CA-O 3.24Å; R25-T165 HydrophobicContact CG-CG2 3.91Å; R25-E174 IonicContact CZ-OE1 2.77Å; R25-E174 IonicContact NH1-OE1 3.4Å; R25-E174 PolarHBondContact NH1-OE1 3.47Å; R25-V184 HydrophobicContact CG-CG1 4.19Å; R25-L185 PolarHBondContact N-O 2.83Å; R25-D186 WeakPolarHBondContact CB-OD1 3.29Å; R25-D186 IonicContact CZ-OD1 3.52Å; R25-D186 IonicContact NE-OD1 2.75Å; R25-D186 PolarHBondContact NE-OD1 2.78Å; R25-D186 IonicContact NH2-OD1 3.12Å; R25-D186 PolarHBondContact NH2-OD1 3.24Å; R25-D186 IonicContact NH2-OD2 3.81Å; R25-D186 CarbonylContact O-C 3.47Å; R25-D186 WeakPolarHBondContact O-CA 3.39Å; R25-V187 PolarHBondContact O-N 2.87Å
26D96Very high94.3Very high7 Ų725 Ų254%0.03715%0.15CC..EExtended strand (participates in β ladder)trans-121.1174.9177.569.9-32.6000110.4I30 D31 G32 K164 T165 C166 A167 V187D26-I30 WeakPolarHBondContact CB-O 3.21Å; D26-D31 WeakPolarHBondContact OD2-CA 3.33Å; D26-G32 PolarHBondContact OD2-N 2.82Å; D26-K164 VanDerWaalsContact CG-CE 3.45Å; D26-K164 WeakPolarHBondContact OD1-CE 2.89Å; D26-K164 IonicContact OD1-NZ 3.37Å; D26-K164 PolarHBondContact OD1-NZ 3.38Å; D26-K164 WeakPolarHBondContact OD2-CE 3.36Å; D26-K164 IonicContact OD2-NZ 3.49Å; D26-K164 PolarHBondContact OD2-NZ 3.46Å; D26-T165 PolarHBondContact N-O 2.81Å; D26-C166 CarbonylContact O-C 3.54Å; D26-C166 WeakPolarHBondContact O-CA 3.14Å; D26-A167 WeakPolarHBondContact O-CB 3.3Å; D26-A167 PolarHBondContact O-N 2.93Å; D26-V187 HydrophobicContact CB-CB 4.22Å
27C92.3Very high94.3Very high12 Ų1225.9 Ų25.98%0.08115%0.153CC..BIsolated β-bridgetrans-123.2173.8-177.965.40000110.3E29 I30 E168C27-E29 WeakPolarHBondContact CB-OE2 3.36Å; C27-E29 PolarHBondContact O-N 2.92Å; C27-E29 PolarHBondContact SG-OE2 3.21Å; C27-I30 PolarHBondContact N-O 3.5Å; C27-I30 CarbonylContact O-C 3.57Å; C27-I30 PolarHBondContact O-N 3.36Å; C27-E168 VanDerWaalsContact CB-OE1 3.32Å; C27-E168 WeakPolarHBondContact CB-OE1 3.45Å
28A87.8Confident94.3Very high90 Ų9025.7 Ų25.774%0.74415%0.151SC*.THydrogen-bonded Turntrans-59.3-31.6-179.700000113
29E89.3Confident94.4Very high138 Ų13824.3 Ų24.365%0.64514%0.142SC*.THydrogen-bonded Turntrans-79.4-29.7-177-59.180.5-176.800113.3C27 P189C27-E29 WeakPolarHBondContact CB-OE2 3.36Å; C27-E29 PolarHBondContact O-N 2.92Å; C27-E29 PolarHBondContact SG-OE2 3.21Å; E29-P189 HydrophobicContact CB-CG 4.16Å
30I91Very high94.7Very high23 Ų2322.2 Ų22.212%0.11812%0.12CC..BIsolated β-bridgetrans-139.7113.7-171.6-53.6-164.1000110.5D26 C27 V187 P189 N199 C200 L223D26-I30 WeakPolarHBondContact CB-O 3.21Å; C27-I30 PolarHBondContact N-O 3.5Å; C27-I30 CarbonylContact O-C 3.57Å; C27-I30 PolarHBondContact O-N 3.36Å; I30-V187 HydrophobicContact CB-CG1 4.33Å; I30-V187 HydrophobicContact CG2-CG1 3.61Å; I30-P189 HydrophobicContact CD1-CB 4.1Å; I30-P189 HydrophobicContact CD1-CG 4.21Å; I30-P189 HydrophobicContact CG1-CG 4.34Å; I30-N199 VanDerWaalsContact CD1-O 3.23Å; I30-N199 WeakPolarHBondContact CD1-O 3.33Å; I30-C200 HydrophobicContact CD1-CB 3.43Å; I30-C200 VanDerWaalsContact CD1-CB 3.43Å; I30-C200 HydrophobicContact CG2-CB 3.84Å; I30-L223 HydrophobicContact CG2-CD1 4.33Å
31D91.7Very high94.8Very high73 Ų7320.1 Ų20.139%0.3911%0.113SC..  trans-75.2128.9176.7179.613.5000112.4D26 C33 F34 K164D26-D31 WeakPolarHBondContact OD2-CA 3.33Å; D31-C33 WeakPolarHBondContact OD1-CB 3.38Å; D31-C33 PolarHBondContact OD1-N 2.88Å; D31-C33 PolarHBondContact OD1-SG 3.33Å; D31-C33 WeakPolarHBondContact OD2-CB 3.5Å; D31-C33 PolarHBondContact OD2-SG 2.88Å; D31-C33 VanDerWaalsContact OD2-SG 3.33Å; D31-F34 WeakPolarHBondContact O-CD1 3.34Å; D31-F34 WeakPolarHBondContact O-CE1 3.42Å; D31-K164 WeakPolarHBondContact OD1-CE 3.34Å; D31-K164 IonicContact OD1-NZ 3.47Å
32G94.5Very high94.8Very high0 Ų019.5 Ų19.50%011%0.109CC..THydrogen-bonded Turntrans-82.31.6176.700000115.5D26 F34 L35D26-G32 PolarHBondContact OD2-N 2.82Å; G32-F34 PolarHBondContact O-N 3.43Å; G32-L35 WeakPolarHBondContact O-CB 3.22Å; G32-L35 PolarHBondContact O-N 3.29Å
33C94.7Very high94.8Very high1 Ų119.5 Ų19.51%0.00711%0.109CC..Hα-helixtrans-57.6-24.2-175.7-76.40000114.7D31 L35 L36 Y37 N57D31-C33 WeakPolarHBondContact OD1-CB 3.38Å; D31-C33 PolarHBondContact OD1-N 2.88Å; D31-C33 PolarHBondContact OD1-SG 3.33Å; D31-C33 WeakPolarHBondContact OD2-CB 3.5Å; D31-C33 PolarHBondContact OD2-SG 2.88Å; D31-C33 VanDerWaalsContact OD2-SG 3.33Å; C33-L35 PolarHBondContact O-N 2.9Å; C33-L36 WeakPolarHBondContact O-CA 3.43Å; C33-L36 WeakPolarHBondContact O-CB 3.39Å; C33-L36 PolarHBondContact O-N 3.18Å; C33-Y37 HydrophobicContact CB-CE1 4.19Å; C33-Y37 HydrophobicContact CB-CE2 4.17Å; C33-Y37 WeakPolarHBondContact CB-OH 3.48Å; C33-Y37 WeakPolarHBondContact O-CD1 3.42Å; C33-Y37 WeakPolarHBondContact O-CD2 3.17Å; C33-Y37 PolarHBondContact O-N 3.42Å; C33-N57 PolarHBondContact SG-ND2 2.88Å; C33-N57 VanDerWaalsContact SG-ND2 3.36Å
34F93.4Very high94.7Very high15 Ų1522 Ų227%0.06612%0.119CC..Hα-helixtrans-59-28.9174.467.8-86.9000113F2 D31 G32 Y37 H38 V187 L223 V228 F230F2-F34 HydrophobicContact CE2-CD2 4.26Å; D31-F34 WeakPolarHBondContact O-CD1 3.34Å; D31-F34 WeakPolarHBondContact O-CE1 3.42Å; G32-F34 PolarHBondContact O-N 3.43Å; F34-Y37 HydrophobicContact CB-CD2 4.45Å; F34-Y37 PolarHBondContact O-N 2.91Å; F34-H38 PolarHBondContact O-N 3.1Å; F34-V187 HydrophobicContact CE1-CG1 4.08Å; F34-V187 HydrophobicContact CE1-CG2 4.3Å; F34-V187 HydrophobicContact CZ-CG1 4.24Å; F34-V187 HydrophobicContact CZ-CG2 4.09Å; F34-L223 HydrophobicContact CD1-CD2 3.87Å; F34-L223 HydrophobicContact CD2-CD2 4.19Å; F34-L223 HydrophobicContact CE1-CD2 4Å; F34-L223 HydrophobicContact CE2-CD2 4.29Å; F34-L223 HydrophobicContact CG-CD2 3.98Å; F34-L223 HydrophobicContact CZ-CD2 4.22Å; F34-V228 HydrophobicContact CB-CG2 4.09Å; F34-V228 HydrophobicContact CD2-CG1 4.06Å; F34-V228 HydrophobicContact CD2-CG2 4.27Å; F34-V228 HydrophobicContact CE2-CG1 4.31Å; F34-V228 HydrophobicContact CG-CG2 4.36Å; F34-F230 HydrophobicContact CD2-CZ 4.12Å; F34-F230 AromaticContact CE2-CE1 3.99Å; F34-F230 HydrophobicContact CE2-CE1 3.99Å; F34-F230 AromaticContact CE2-CZ 3.65Å; F34-F230 HydrophobicContact CE2-CZ 3.65Å
35L96.2Very high94.5Very high0 Ų028.5 Ų28.50%014%0.143CC..Hα-helixtrans-71.3-37.8173.6-62.6174.8000111.3L5 I24 G32 C33 Y37 H38 F39 L185 V187 L202 F230L5-L35 HydrophobicContact CD1-CD2 4.47Å; L5-L35 HydrophobicContact CD2-CD2 3.56Å; I24-L35 HydrophobicContact CD1-CB 3.54Å; I24-L35 HydrophobicContact CD1-CD1 4.4Å; I24-L35 HydrophobicContact CG1-CB 4.04Å; I24-L35 HydrophobicContact CG1-CD1 3.98Å; I24-L35 HydrophobicContact CG2-CD1 3.97Å; G32-L35 WeakPolarHBondContact O-CB 3.22Å; G32-L35 PolarHBondContact O-N 3.29Å; C33-L35 PolarHBondContact O-N 2.9Å; L35-Y37 VanDerWaalsContact C-N 3.32Å; L35-Y37 PolarHBondContact O-N 3.46Å; L35-H38 VanDerWaalsContact O-CB 3.3Å; L35-H38 WeakPolarHBondContact O-CB 3.47Å; L35-H38 PolarHBondContact O-N 2.79Å; L35-F39 WeakPolarHBondContact O-CD2 3.49Å; L35-F39 PolarHBondContact O-N 3.12Å; L35-L185 HydrophobicContact CD1-CB 4.07Å; L35-L185 HydrophobicContact CD1-CD1 4.18Å; L35-V187 HydrophobicContact CD1-CG2 3.59Å; L35-L202 HydrophobicContact CD1-CD1 4.06Å; L35-L202 HydrophobicContact CD2-CD2 4.23Å; L35-F230 HydrophobicContact CD2-CZ 4.2Å
36L97.1Very high94.4Very high0 Ų027.9 Ų27.90%014%0.144CC..Hα-helixtrans-59.9-45.4172.1-58-179.2000110.5I24 C33 H38 F39 I40 V127 D129 V162 K164I24-L36 HydrophobicContact CD1-CD2 3.47Å; I24-L36 VanDerWaalsContact CD1-CD2 3.47Å; I24-L36 HydrophobicContact CD1-CG 4.11Å; C33-L36 WeakPolarHBondContact O-CA 3.43Å; C33-L36 WeakPolarHBondContact O-CB 3.39Å; C33-L36 PolarHBondContact O-N 3.18Å; L36-H38 PolarHBondContact O-N 3.35Å; L36-F39 PolarHBondContact O-N 3.18Å; L36-I40 VanDerWaalsContact O-CG1 3.27Å; L36-I40 WeakPolarHBondContact O-CG1 3.26Å; L36-I40 PolarHBondContact O-N 3.15Å; L36-V127 HydrophobicContact CD2-CG1 3.85Å; L36-D129 HydrophobicContact CD1-CB 3.87Å; L36-V162 HydrophobicContact CD2-CG1 3.69Å; L36-K164 HydrophobicContact CD1-CB 4.36Å; L36-K164 HydrophobicContact CD1-CD 3.86Å; L36-K164 HydrophobicContact CD2-CB 4.26Å; L36-K164 HydrophobicContact CG-CD 4.38Å
37Y95.7Very high94.3Very high24 Ų2432.9 Ų32.99%0.09418%0.175CC..Hα-helixtrans-61.1-35.4177.6-49.5-28.7000112.2C33 F34 L35 S41 H61 Y62 A65 L66 F69C33-Y37 HydrophobicContact CB-CE1 4.19Å; C33-Y37 HydrophobicContact CB-CE2 4.17Å; C33-Y37 WeakPolarHBondContact CB-OH 3.48Å; C33-Y37 WeakPolarHBondContact O-CD1 3.42Å; C33-Y37 WeakPolarHBondContact O-CD2 3.17Å; C33-Y37 PolarHBondContact O-N 3.42Å; F34-Y37 HydrophobicContact CB-CD2 4.45Å; F34-Y37 PolarHBondContact O-N 2.91Å; L35-Y37 VanDerWaalsContact C-N 3.32Å; L35-Y37 PolarHBondContact O-N 3.46Å; Y37-S41 WeakPolarHBondContact O-CB 3.18Å; Y37-S41 PolarHBondContact O-N 3.43Å; Y37-H61 PolarHBondContact OH-NE2 2.92Å; Y37-Y62 HydrophobicContact CD1-CD1 4.24Å; Y37-Y62 HydrophobicContact CD1-CE1 4.18Å; Y37-Y62 AromaticContact CE1-CD1 3.86Å; Y37-Y62 HydrophobicContact CE1-CD1 3.86Å; Y37-Y62 AromaticContact CE1-CE1 3.73Å; Y37-Y62 HydrophobicContact CE1-CE1 3.73Å; Y37-A65 HydrophobicContact CD1-CB 4.38Å; Y37-A65 HydrophobicContact CD2-CB 4.37Å; Y37-A65 HydrophobicContact CE1-CB 3.84Å; Y37-A65 HydrophobicContact CE2-CB 3.86Å; Y37-L66 HydrophobicContact CD1-CD2 3.98Å; Y37-L66 HydrophobicContact CD1-CG 4.46Å; Y37-L66 HydrophobicContact CG-CD2 4.25Å; Y37-F69 AromaticContact CD2-CE2 3.74Å; Y37-F69 HydrophobicContact CD2-CE2 3.74Å; Y37-F69 HydrophobicContact CD2-CZ 4.27Å; Y37-F69 HydrophobicContact CG-CE2 4.04Å
38H95Very high94.5Very high0 Ų036.3 Ų36.30%019%0.186CC..Hα-helixtrans-58.5-54.7173.5174.692.7000111.7F2 L5 C6 H11 F34 L35 L36 S41 L42F2-H38 HydrophobicContact CD2-CB 3.71Å; F2-H38 AromaticContact CD2-CG 3.84Å; F2-H38 AromaticContact CD2-ND1 3.34Å; F2-H38 VanDerWaalsContact CD2-ND1 3.34Å; F2-H38 WeakPolarHBondContact CD2-ND1 3.48Å; F2-H38 HydrophobicContact CE2-CB 3.71Å; F2-H38 AromaticContact CG-ND1 3.72Å; F2-H38 PolarHBondContact N-ND1 2.57Å; L5-H38 HydrophobicContact CD2-CB 4.3Å; C6-H38 PolarHBondContact SG-CE1 3.06Å; H11-H38 AromaticContact CE1-NE2 3.96Å; H11-H38 AromaticContact NE2-NE2 3.1Å; H11-H38 PolarHBondContact NE2-NE2 3.07Å; F34-H38 PolarHBondContact O-N 3.1Å; L35-H38 VanDerWaalsContact O-CB 3.3Å; L35-H38 WeakPolarHBondContact O-CB 3.47Å; L35-H38 PolarHBondContact O-N 2.79Å; L36-H38 PolarHBondContact O-N 3.35Å; H38-S41 PolarHBondContact O-N 3.29Å; H38-L42 VanDerWaalsContact O-CB 3.28Å; H38-L42 WeakPolarHBondContact O-CB 3.2Å; H38-L42 PolarHBondContact O-N 2.93Å
39F97.1Very high94.8Very high0 Ų035.3 Ų35.30%017%0.165CC..Hα-helixtrans-63.8-43.9-178.2-75.2-77.6000111.8L9 H11 P17 F22 L35 L36 S41 L42 F43 L125 V162 L185L9-F39 HydrophobicContact CD1-CZ 4.06Å; H11-F39 AromaticContact CE1-CE1 3.71Å; P17-F39 HydrophobicContact CG-CD1 4.47Å; P17-F39 HydrophobicContact CG-CE1 4.11Å; F22-F39 HydrophobicContact CB-CZ 4.4Å; F22-F39 HydrophobicContact CD1-CE1 4.37Å; F22-F39 AromaticContact CD1-CZ 3.67Å; F22-F39 HydrophobicContact CD1-CZ 3.67Å; F22-F39 HydrophobicContact CD2-CE1 4.05Å; F22-F39 HydrophobicContact CD2-CZ 4.04Å; F22-F39 HydrophobicContact CE1-CE1 4.28Å; F22-F39 AromaticContact CE1-CZ 3.86Å; F22-F39 HydrophobicContact CE1-CZ 3.86Å; F22-F39 AromaticContact CE2-CE1 3.96Å; F22-F39 HydrophobicContact CE2-CE1 3.96Å; F22-F39 HydrophobicContact CE2-CZ 4.22Å; F22-F39 HydrophobicContact CG-CE1 4.26Å; F22-F39 HydrophobicContact CG-CE2 4.48Å; F22-F39 AromaticContact CG-CZ 3.77Å; F22-F39 HydrophobicContact CG-CZ 3.77Å; F22-F39 HydrophobicContact CZ-CE1 4.07Å; F22-F39 HydrophobicContact CZ-CZ 4.12Å; L35-F39 WeakPolarHBondContact O-CD2 3.49Å; L35-F39 PolarHBondContact O-N 3.12Å; L36-F39 PolarHBondContact O-N 3.18Å; F39-S41 PolarHBondContact O-N 3.09Å; F39-L42 WeakPolarHBondContact O-CB 3.36Å; F39-L42 PolarHBondContact O-N 3.27Å; F39-F43 WeakPolarHBondContact O-CD2 3.36Å; F39-F43 PolarHBondContact O-N 3.26Å; F39-L125 HydrophobicContact CB-CD1 4.39Å; F39-L125 HydrophobicContact CB-CD2 3.94Å; F39-L125 WeakPolarHBondContact O-CD2 3.28Å; F39-V162 HydrophobicContact CB-CG2 4.08Å; F39-V162 HydrophobicContact CD1-CG2 3.84Å; F39-V162 HydrophobicContact CD2-CB 4.49Å; F39-V162 HydrophobicContact CD2-CG1 3.94Å; F39-V162 HydrophobicContact CD2-CG2 3.78Å; F39-V162 HydrophobicContact CE1-CG2 4.17Å; F39-V162 HydrophobicContact CE2-CG1 4.25Å; F39-V162 HydrophobicContact CE2-CG2 4.13Å; F39-V162 HydrophobicContact CG-CG2 3.64Å; F39-V162 HydrophobicContact CZ-CG2 4.32Å; F39-L185 HydrophobicContact CE2-CD1 4.1Å; F39-L185 HydrophobicContact CZ-CD1 4.4Å
40I97.2Very high95.2Very high0 Ų028.8 Ų28.80%013%0.134CC..Hα-helixtrans-60.4-48.7177.6-63.3163.8000110.3L36 L42 F43 Y44 V50 L52 Y62 L66 I82 L125 V127L36-I40 VanDerWaalsContact O-CG1 3.27Å; L36-I40 WeakPolarHBondContact O-CG1 3.26Å; L36-I40 PolarHBondContact O-N 3.15Å; I40-L42 VanDerWaalsContact C-N 3.32Å; I40-L42 PolarHBondContact O-N 3.09Å; I40-F43 PolarHBondContact O-N 3.04Å; I40-Y44 WeakPolarHBondContact O-CB 3.28Å; I40-Y44 PolarHBondContact O-N 2.74Å; I40-V50 HydrophobicContact CG1-CG1 4.35Å; I40-V50 HydrophobicContact CG2-CG1 4.46Å; I40-L52 HydrophobicContact CD1-CD1 4.02Å; I40-L52 HydrophobicContact CD1-CD2 4.33Å; I40-Y62 HydrophobicContact CD1-CD1 4.3Å; I40-Y62 HydrophobicContact CD1-CE1 4.18Å; I40-L66 HydrophobicContact CB-CD2 4.05Å; I40-L66 HydrophobicContact CD1-CD1 4.33Å; I40-L66 HydrophobicContact CD1-CD2 4.36Å; I40-L66 HydrophobicContact CG2-CD1 3.78Å; I40-L66 HydrophobicContact CG2-CD2 3.89Å; I40-I82 HydrophobicContact CG2-CD1 4.37Å; I40-L125 HydrophobicContact CG1-CD2 4.34Å; I40-V127 HydrophobicContact CD1-CG2 4.44Å; I40-V127 HydrophobicContact CG1-CG2 3.89Å
41S95.1Very high95.4Very high0 Ų027.8 Ų27.80%013%0.129CC..Hα-helixtrans-61.9-39.5177.8-178.90000112.1Y37 H38 F39 R45Y37-S41 WeakPolarHBondContact O-CB 3.18Å; Y37-S41 PolarHBondContact O-N 3.43Å; H38-S41 PolarHBondContact O-N 3.29Å; F39-S41 PolarHBondContact O-N 3.09Å; S41-R45 VanDerWaalsContact O-CB 3.26Å; S41-R45 WeakPolarHBondContact O-CB 3.15Å; S41-R45 WeakPolarHBondContact O-CG 3.33Å; S41-R45 PolarHBondContact O-N 2.86Å
42L95.9Very high95.7Very high0 Ų024.4 Ų24.40%011%0.111CC..Hα-helixtrans-60.8-53.1178.417866.4000111.3M1 L13 L16 H38 F39 I40 A46M1-L42 HydrophobicContact CE-CD1 3.94Å; M1-L42 HydrophobicContact CG-CD1 4.44Å; M1-L42 HydrophobicContact SD-CD1 4.11Å; L13-L42 HydrophobicContact CD2-CD1 3.97Å; L13-L42 HydrophobicContact CG-CD1 4.19Å; L16-L42 HydrophobicContact CD2-CD1 4.14Å; L16-L42 HydrophobicContact CD2-CD2 4.06Å; L16-L42 HydrophobicContact CD2-CG 3.69Å; H38-L42 VanDerWaalsContact O-CB 3.28Å; H38-L42 WeakPolarHBondContact O-CB 3.2Å; H38-L42 PolarHBondContact O-N 2.93Å; F39-L42 WeakPolarHBondContact O-CB 3.36Å; F39-L42 PolarHBondContact O-N 3.27Å; I40-L42 VanDerWaalsContact C-N 3.32Å; I40-L42 PolarHBondContact O-N 3.09Å; L42-A46 WeakPolarHBondContact O-CB 3.39Å; L42-A46 PolarHBondContact O-N 2.92Å; L42-A46 VanDerWaalsContact O-N 3.08Å
43F96.4Very high95.9Very high0 Ų024.4 Ų24.40%011%0.111CC..Hα-helixtrans-68.4-40.9-179.8-85.3-103.5000112.3L16 P17 F39 I40 R45 A46 T47 R48 V50 S124 L125 C160L16-F43 HydrophobicContact CB-CE1 4.3Å; L16-F43 HydrophobicContact CB-CE2 4.46Å; L16-F43 HydrophobicContact CB-CZ 3.97Å; L16-F43 HydrophobicContact CD1-CD1 3.97Å; L16-F43 HydrophobicContact CD1-CE1 3.84Å; L16-F43 HydrophobicContact CD1-CG 4.49Å; L16-F43 HydrophobicContact CD1-CZ 4.28Å; L16-F43 HydrophobicContact CD2-CD2 4.32Å; L16-F43 HydrophobicContact CD2-CE2 4.3Å; L16-F43 HydrophobicContact CD2-CZ 4.49Å; L16-F43 HydrophobicContact CG-CZ 4.49Å; P17-F43 HydrophobicContact CG-CE2 4.21Å; F39-F43 WeakPolarHBondContact O-CD2 3.36Å; F39-F43 PolarHBondContact O-N 3.26Å; I40-F43 PolarHBondContact O-N 3.04Å; F43-R45 PolarHBondContact O-N 3.47Å; F43-A46 CarbonylContact O-C 3.59Å; F43-A46 PolarHBondContact O-N 3.43Å; F43-T47 PolarHBondContact O-N 2.77Å; F43-R48 HydrophobicContact CB-CB 4.24Å; F43-R48 HydrophobicContact CD1-CB 3.73Å; F43-R48 HydrophobicContact CD1-CG 4.26Å; F43-R48 HydrophobicContact CG-CB 4.44Å; F43-R48 WeakPolarHBondContact O-CB 3.5Å; F43-R48 PolarHBondContact O-N 2.99Å; F43-V50 HydrophobicContact CB-CG2 3.76Å; F43-S124 WeakPolarHBondContact CE1-O 3.27Å; F43-L125 HydrophobicContact CB-CB 4.05Å; F43-L125 HydrophobicContact CB-CD2 4.14Å; F43-L125 HydrophobicContact CD1-CB 3.6Å; F43-L125 HydrophobicContact CD2-CB 3.81Å; F43-L125 HydrophobicContact CD2-CD1 4.31Å; F43-L125 HydrophobicContact CD2-CD2 3.85Å; F43-L125 HydrophobicContact CD2-CG 4.21Å; F43-L125 HydrophobicContact CE1-CB 3.94Å; F43-L125 HydrophobicContact CE2-CB 4.11Å; F43-L125 HydrophobicContact CE2-CD1 4.18Å; F43-L125 HydrophobicContact CG-CB 3.53Å; F43-L125 HydrophobicContact CG-CD2 4.08Å; F43-L125 HydrophobicContact CG-CG 4.35Å; F43-L125 HydrophobicContact CZ-CB 4.19Å; F43-C160 HydrophobicContact CE1-CB 4.43Å; F43-C160 HydrophobicContact CE2-CB 3.99Å; F43-C160 HydrophobicContact CZ-CB 3.52Å
44Y95.9Very high96.1Very high53 Ų5324.4 Ų24.421%0.20811%0.111CC..Hα-helixtrans-59.1-47.5176.3178.2-98.6000111.9I40 A46 T47 V71 A76 T81 I82I40-Y44 WeakPolarHBondContact O-CB 3.28Å; I40-Y44 PolarHBondContact O-N 2.74Å; Y44-A46 VanDerWaalsContact C-N 3.26Å; Y44-A46 PolarHBondContact O-N 3.26Å; Y44-T47 WeakPolarHBondContact O-CA 3.48Å; Y44-T47 PolarHBondContact O-N 2.81Å; Y44-V71 HydrophobicContact CD1-CB 4.12Å; Y44-V71 HydrophobicContact CD1-CG1 3.97Å; Y44-V71 HydrophobicContact CD1-CG2 3.66Å; Y44-V71 HydrophobicContact CD2-CG1 4.07Å; Y44-V71 HydrophobicContact CE1-CB 4.27Å; Y44-V71 HydrophobicContact CE1-CG1 4.15Å; Y44-V71 HydrophobicContact CE1-CG2 4.23Å; Y44-V71 HydrophobicContact CE2-CG1 4.28Å; Y44-V71 HydrophobicContact CG-CB 4.49Å; Y44-V71 HydrophobicContact CG-CG1 3.9Å; Y44-V71 HydrophobicContact CG-CG2 4.08Å; Y44-A76 HydrophobicContact CD2-CB 4.13Å; Y44-A76 HydrophobicContact CE2-CB 3.51Å; Y44-T81 HydrophobicContact CD2-CG2 3.87Å; Y44-T81 HydrophobicContact CE2-CG2 4.22Å; Y44-I82 HydrophobicContact CD2-CD1 4.41Å
45R94.9Very high96.2Very high136 Ų13624.3 Ų24.351%0.51311%0.111SC..Hα-helixtrans-67.9-26.6178.8-71.8178.971.8-178.82.5113L13 S41 F43 T47L13-R45 HydrophobicContact CD2-CB 3.7Å; S41-R45 VanDerWaalsContact O-CB 3.26Å; S41-R45 WeakPolarHBondContact O-CB 3.15Å; S41-R45 WeakPolarHBondContact O-CG 3.33Å; S41-R45 PolarHBondContact O-N 2.86Å; F43-R45 PolarHBondContact O-N 3.47Å; R45-T47 PolarHBondContact O-N 2.96Å
46A95Very high96.2Very high14 Ų1428.8 Ų28.812%0.11613%0.132CC..THydrogen-bonded Turntrans-81.311.4170.500000113L13 L16 L42 F43 Y44 R48L13-A46 HydrophobicContact CD2-CB 4.1Å; L16-A46 HydrophobicContact CD1-CB 3.93Å; L16-A46 HydrophobicContact CD2-CB 4.02Å; L16-A46 HydrophobicContact CG-CB 4.38Å; L42-A46 WeakPolarHBondContact O-CB 3.39Å; L42-A46 PolarHBondContact O-N 2.92Å; L42-A46 VanDerWaalsContact O-N 3.08Å; F43-A46 CarbonylContact O-C 3.59Å; F43-A46 PolarHBondContact O-N 3.43Å; Y44-A46 VanDerWaalsContact C-N 3.26Å; Y44-A46 PolarHBondContact O-N 3.26Å; A46-R48 HydrophobicContact CB-CG 4.12Å; A46-R48 WeakPolarHBondContact O-CG 3.4Å; A46-R48 PolarHBondContact O-N 2.87Å; A46-R48 PolarHBondContact O-NH1 2.81Å
47T94.7Very high96.1Very high112 Ų11229.9 Ų29.969%0.68714%0.138SC*.THydrogen-bonded Turntrans50.941.5-177.772.50000112.2F43 Y44 R45F43-T47 PolarHBondContact O-N 2.77Å; Y44-T47 WeakPolarHBondContact O-CA 3.48Å; Y44-T47 PolarHBondContact O-N 2.81Å; R45-T47 PolarHBondContact O-N 2.96Å
48R95.1Very high96.1Very high84 Ų8432.2 Ų32.232%0.31716%0.155SC..  trans-107.6153.6176.3-62.3-48.9179.1-112.63.6110.4L16 F43 A46 T81 Q123L16-R48 HydrophobicContact CD1-CB 4.41Å; L16-R48 HydrophobicContact CD1-CG 3.46Å; L16-R48 VanDerWaalsContact CD1-CG 3.46Å; F43-R48 HydrophobicContact CB-CB 4.24Å; F43-R48 HydrophobicContact CD1-CB 3.73Å; F43-R48 HydrophobicContact CD1-CG 4.26Å; F43-R48 HydrophobicContact CG-CB 4.44Å; F43-R48 WeakPolarHBondContact O-CB 3.5Å; F43-R48 PolarHBondContact O-N 2.99Å; A46-R48 HydrophobicContact CB-CG 4.12Å; A46-R48 WeakPolarHBondContact O-CG 3.4Å; A46-R48 PolarHBondContact O-N 2.87Å; A46-R48 PolarHBondContact O-NH1 2.81Å; R48-T81 WeakPolarHBondContact O-CG2 3.41Å; R48-Q123 WeakPolarHBondContact CB-O 3.36Å; R48-Q123 WeakPolarHBondContact CD-O 3.49Å; R48-Q123 HydrophobicContact CG-CB 4.11Å
49K94.8Very high96.2Very high69 Ų6933.3 Ų33.330%0.316%0.162SC..EExtended strand (participates in β ladder)trans-77143.6-179-64.2178.4-175152.60110.7T81 F117 E122 S124 L125K49-T81 CarbonylContact C-O 3.47Å; K49-T81 VanDerWaalsContact CA-O 3.24Å; K49-T81 WeakPolarHBondContact CA-O 3.38Å; K49-F117 HydrophobicContact CB-CD1 4.4Å; K49-F117 HydrophobicContact CB-CE1 3.53Å; K49-F117 HydrophobicContact CB-CZ 4.19Å; K49-F117 HydrophobicContact CD-CD1 4.14Å; K49-F117 HydrophobicContact CD-CE1 3.4Å; K49-F117 HydrophobicContact CD-CZ 4.33Å; K49-F117 HydrophobicContact CG-CE1 4.08Å; K49-E122 WeakPolarHBondContact CE-OE2 3.3Å; K49-E122 IonicContact NZ-OE1 3.83Å; K49-E122 IonicContact NZ-OE2 2.73Å; K49-E122 PolarHBondContact NZ-OE2 3.45Å; K49-S124 VanDerWaalsContact O-CA 3.28Å; K49-S124 WeakPolarHBondContact O-CA 3.41Å; K49-S124 WeakPolarHBondContact O-CB 3.33Å; K49-L125 PolarHBondContact O-N 3.16Å
50V96.7Very high96.1Very high0 Ų043 Ų430%020%0.199CC..EExtended strand (participates in β ladder)trans-127.2127.1179.8-178.90000108.7I40 F43 T81 I82 V83 L125 V127I40-V50 HydrophobicContact CG1-CG1 4.35Å; I40-V50 HydrophobicContact CG2-CG1 4.46Å; F43-V50 HydrophobicContact CB-CG2 3.76Å; V50-T81 PolarHBondContact N-O 3.48Å; V50-I82 HydrophobicContact CB-CG1 4.18Å; V50-I82 CarbonylContact O-C 3.59Å; V50-I82 VanDerWaalsContact O-CA 3.27Å; V50-I82 WeakPolarHBondContact O-CA 3.31Å; V50-V83 PolarHBondContact O-N 2.67Å; V50-L125 CarbonylContact C-O 3.49Å; V50-L125 WeakPolarHBondContact CA-O 3.33Å; V50-L125 HydrophobicContact CG1-CB 4.37Å; V50-L125 HydrophobicContact CG1-CD2 3.96Å; V50-L125 HydrophobicContact CG1-CG 4.26Å; V50-L125 HydrophobicContact CG2-CB 4.26Å; V50-L125 HydrophobicContact CG2-CD2 4.26Å; V50-V127 HydrophobicContact CG1-CG2 4.41Å
51V97.1Very high96Very high3 Ų346.4 Ų46.42%0.01821%0.214CC..EExtended strand (participates in β ladder)trans-100.1119.7165.9-176.70000107.5V83 V85 L110 A113 T114 F117 L125 L126 V127V51-V83 CarbonylContact C-O 3.52Å; V51-V83 WeakPolarHBondContact CA-O 3.41Å; V51-V83 HydrophobicContact CG2-CB 4.39Å; V51-V85 HydrophobicContact CG1-CG2 4.21Å; V51-L110 HydrophobicContact CG1-CD1 4.36Å; V51-A113 HydrophobicContact CG1-CB 4.23Å; V51-T114 HydrophobicContact CB-CG2 4.39Å; V51-T114 HydrophobicContact CG1-CG2 4.08Å; V51-T114 HydrophobicContact CG2-CG2 3.97Å; V51-F117 HydrophobicContact CG2-CD2 3.96Å; V51-F117 HydrophobicContact CG2-CE2 3.16Å; V51-F117 HydrophobicContact CG2-CZ 3.7Å; V51-L125 PolarHBondContact N-O 2.85Å; V51-L126 HydrophobicContact CB-CD1 3.76Å; V51-L126 HydrophobicContact CG1-CD1 3.69Å; V51-L126 WeakPolarHBondContact O-CA 3.08Å; V51-V127 PolarHBondContact O-N 2.86Å
52L98Very high96.1Very high1 Ų146.4 Ų46.41%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-113.1111.8-179.7175.661.3000109.5I40 Y62 I82 V83 L84 V85 V127I40-L52 HydrophobicContact CD1-CD1 4.02Å; I40-L52 HydrophobicContact CD1-CD2 4.33Å; L52-Y62 HydrophobicContact CD1-CE1 4.23Å; L52-Y62 HydrophobicContact CD1-CE2 4.23Å; L52-Y62 HydrophobicContact CD2-CD1 3.93Å; L52-Y62 HydrophobicContact CD2-CD2 3.76Å; L52-Y62 HydrophobicContact CD2-CE1 4.27Å; L52-Y62 HydrophobicContact CD2-CE2 4.1Å; L52-Y62 HydrophobicContact CD2-CG 3.67Å; L52-Y62 HydrophobicContact CG-CE2 4.44Å; L52-I82 HydrophobicContact CB-CG2 4.49Å; L52-V83 PolarHBondContact N-O 3.21Å; L52-L84 HydrophobicContact CB-CD2 4.17Å; L52-L84 HydrophobicContact CD2-CD2 4.03Å; L52-L84 HydrophobicContact CG-CD2 4.36Å; L52-V85 PolarHBondContact O-N 3.5Å; L52-V127 HydrophobicContact CD1-CB 3.75Å; L52-V127 HydrophobicContact CD1-CG1 3.66Å
53V98.1Very high96.1Very high0 Ų047 Ų470%022%0.219CC..EExtended strand (participates in β ladder)trans-90.6103.1173.7-1670000108.5I55 V85 L106 L110 L126 V127 V128 D129 F147V53-I55 HydrophobicContact CG1-CD1 4.18Å; V53-I55 HydrophobicContact CG1-CG1 3.97Å; V53-I55 PolarHBondContact O-N 3.13Å; V53-V85 CarbonylContact C-O 3.59Å; V53-V85 WeakPolarHBondContact CA-O 3.04Å; V53-V85 HydrophobicContact CB-CB 4.36Å; V53-V85 HydrophobicContact CG1-CB 4.14Å; V53-V85 HydrophobicContact CG1-CG1 4.03Å; V53-V85 HydrophobicContact CG2-CB 4.13Å; V53-V85 HydrophobicContact CG2-CG2 4.46Å; V53-L106 HydrophobicContact CG1-CD1 4.27Å; V53-L110 HydrophobicContact CG2-CD1 3.88Å; V53-L126 HydrophobicContact CG2-CD1 3.88Å; V53-V127 WeakPolarHBondContact CB-O 3.43Å; V53-V127 WeakPolarHBondContact CG2-O 3.47Å; V53-V127 PolarHBondContact N-O 2.83Å; V53-V128 HydrophobicContact CB-CG2 4.48Å; V53-V128 HydrophobicContact CG2-CG2 4.3Å; V53-D129 PolarHBondContact O-N 3.41Å; V53-F147 HydrophobicContact CG1-CZ 4.45Å
54C97.9Very high96.1Very high1 Ų151 Ų511%0.00724%0.243CC..EExtended strand (participates in β ladder)trans-8896.3-178.7-68.10000109.6N57 V85 F87C54-N57 VanDerWaalsContact CB-O 3.23Å; C54-N57 WeakPolarHBondContact CB-O 3.44Å; C54-V85 PolarHBondContact N-O 3.06Å; C54-F87 WeakPolarHBondContact O-CB 3.48Å; C54-F87 PolarHBondContact O-N 2.87Å
55I97.1Very high95.9Very high14 Ų1449 Ų497%0.07224%0.237CC..SBendtrans-101.8-55.8179.8-55.7158.4000110.2V53 F87 V128 D129 C130 T133 L134V53-I55 HydrophobicContact CG1-CD1 4.18Å; V53-I55 HydrophobicContact CG1-CG1 3.97Å; V53-I55 PolarHBondContact O-N 3.13Å; I55-F87 HydrophobicContact CB-CB 4.37Å; I55-F87 HydrophobicContact CG1-CB 4.41Å; I55-F87 HydrophobicContact CG2-CB 4.42Å; I55-F87 HydrophobicContact CG2-CD1 4.05Å; I55-F87 HydrophobicContact CG2-CG 4.17Å; I55-V128 HydrophobicContact CD1-CG1 3.59Å; I55-D129 VanDerWaalsContact CA-OD1 3.3Å; I55-D129 WeakPolarHBondContact CA-OD1 3.25Å; I55-D129 WeakPolarHBondContact CB-OD1 3.31Å; I55-D129 VanDerWaalsContact N-CG 3.35Å; I55-D129 PolarHBondContact N-OD1 3.22Å; I55-D129 PolarHBondContact N-OD2 3.21Å; I55-C130 WeakPolarHBondContact CD1-O 3.38Å; I55-T133 HydrophobicContact CG2-CG2 3.92Å; I55-L134 HydrophobicContact CD1-CD1 3.62Å; I55-L134 HydrophobicContact CD1-CD2 4.29Å; I55-L134 HydrophobicContact CD1-CG 3.86Å; I55-L134 HydrophobicContact CG1-CD1 4.47Å; I55-L134 HydrophobicContact CG1-CD2 4.33Å; I55-L134 HydrophobicContact CG1-CG 4.42Å; I55-L134 HydrophobicContact CG2-CD2 3.5Å; I55-L134 VanDerWaalsContact CG2-CD2 3.5Å; I55-L134 HydrophobicContact CG2-CG 3.83Å
56Q95.5Very high95.9Very high93 Ų9342.6 Ų42.644%0.43521%0.213SC..SBendtrans-88.2-44.1-178.9177.7177.9-12.200111.2D129 C130Q56-D129 PolarHBondContact N-OD1 3.31Å; Q56-D129 VanDerWaalsContact N-OD1 3.09Å; Q56-D129 PolarHBondContact N-OD2 2.94Å; Q56-C130 HydrophobicContact CB-CB 3.46Å; Q56-C130 VanDerWaalsContact CB-CB 3.46Å; Q56-C130 HydrophobicContact CG-CB 4.44Å; Q56-C130 PolarHBondContact OE1-SG 3.44Å
57N95.3Very high95.9Very high24 Ų2444.8 Ų44.813%0.12823%0.231CC..SBendtrans-101.9136.9-176.5-71.6-51.6000110.9C33 C54 H61 Y62 D129C33-N57 PolarHBondContact SG-ND2 2.88Å; C33-N57 VanDerWaalsContact SG-ND2 3.36Å; C54-N57 VanDerWaalsContact CB-O 3.23Å; C54-N57 WeakPolarHBondContact CB-O 3.44Å; N57-H61 HydrophobicContact CB-CB 4.27Å; N57-Y62 HydrophobicContact CB-CD2 4.17Å; N57-Y62 HydrophobicContact CB-CE2 3.54Å; N57-D129 PolarHBondContact N-OD2 3.29Å
58T95.4Very high95.6Very high72 Ų7246.5 Ų46.544%0.44223%0.225SC..  trans-71157.5178.163.80000111.8R60 H61 Y62T58-R60 PolarHBondContact O-N 3.45Å; T58-H61 WeakPolarHBondContact O-CB 3.5Å; T58-H61 PolarHBondContact O-N 3.2Å; T58-H61 PolarHBondContact OG1-N 2.93Å; T58-Y62 WeakPolarHBondContact O-CD2 3.22Å; T58-Y62 PolarHBondContact O-N 3.49Å
59P96.2Very high95.3Very high23 Ų2344 Ų4415%0.14922%0.217CC..Hα-helixtrans-51.5-38.4170.2-28.735.9000113.2H61 Y62 S63 M73 L84 D86P59-H61 PolarHBondContact O-N 2.89Å; P59-Y62 PolarHBondContact O-N 3.41Å; P59-S63 PolarHBondContact O-N 3.36Å; P59-M73 HydrophobicContact CB-CE 3.6Å; P59-M73 WeakPolarHBondContact O-CE 3.27Å; P59-L84 HydrophobicContact CB-CD1 3.94Å; P59-L84 HydrophobicContact CG-CD1 4.26Å; P59-D86 HydrophobicContact CG-CB 4.27Å
60R95.7Very high95.2Very high205 Ų20543.5 Ų43.577%0.77423%0.231SC*.Hα-helixtrans-62.7-39.4177.3-175.7175.4179.5154.70.5112.8T58 Y62 S63 V64T58-R60 PolarHBondContact O-N 3.45Å; R60-Y62 VanDerWaalsContact C-N 3.34Å; R60-S63 PolarHBondContact O-N 3.04Å; R60-V64 PolarHBondContact O-N 3.31Å
61H95.6Very high95.1Very high70 Ų7043.5 Ų43.532%0.32423%0.231SC..Hα-helixtrans-58.7-48.1174.2175.188.8000110.8Y37 N57 T58 P59 S63 V64 A65Y37-H61 PolarHBondContact OH-NE2 2.92Å; N57-H61 HydrophobicContact CB-CB 4.27Å; T58-H61 WeakPolarHBondContact O-CB 3.5Å; T58-H61 PolarHBondContact O-N 3.2Å; T58-H61 PolarHBondContact OG1-N 2.93Å; P59-H61 PolarHBondContact O-N 2.89Å; H61-S63 PolarHBondContact O-N 3.43Å; H61-V64 PolarHBondContact O-N 2.94Å; H61-A65 WeakPolarHBondContact O-CB 3.37Å; H61-A65 PolarHBondContact O-N 2.82Å
62Y96.7Very high95Very high0 Ų047.7 Ų47.70%025%0.25CS..Hα-helixtrans-61.3-40.9176.4-78.6-72.6000112.9Y37 I40 L52 N57 T58 P59 R60 V64 A65 L66 D129Y37-Y62 HydrophobicContact CD1-CD1 4.24Å; Y37-Y62 HydrophobicContact CD1-CE1 4.18Å; Y37-Y62 AromaticContact CE1-CD1 3.86Å; Y37-Y62 HydrophobicContact CE1-CD1 3.86Å; Y37-Y62 AromaticContact CE1-CE1 3.73Å; Y37-Y62 HydrophobicContact CE1-CE1 3.73Å; I40-Y62 HydrophobicContact CD1-CD1 4.3Å; I40-Y62 HydrophobicContact CD1-CE1 4.18Å; L52-Y62 HydrophobicContact CD1-CE1 4.23Å; L52-Y62 HydrophobicContact CD1-CE2 4.23Å; L52-Y62 HydrophobicContact CD2-CD1 3.93Å; L52-Y62 HydrophobicContact CD2-CD2 3.76Å; L52-Y62 HydrophobicContact CD2-CE1 4.27Å; L52-Y62 HydrophobicContact CD2-CE2 4.1Å; L52-Y62 HydrophobicContact CD2-CG 3.67Å; L52-Y62 HydrophobicContact CG-CE2 4.44Å; N57-Y62 HydrophobicContact CB-CD2 4.17Å; N57-Y62 HydrophobicContact CB-CE2 3.54Å; T58-Y62 WeakPolarHBondContact O-CD2 3.22Å; T58-Y62 PolarHBondContact O-N 3.49Å; P59-Y62 PolarHBondContact O-N 3.41Å; R60-Y62 VanDerWaalsContact C-N 3.34Å; Y62-V64 VanDerWaalsContact C-N 3.35Å; Y62-V64 PolarHBondContact O-N 2.97Å; Y62-A65 PolarHBondContact O-N 2.86Å; Y62-L66 HydrophobicContact CD1-CD1 4.2Å; Y62-L66 HydrophobicContact CD1-CG 4.47Å; Y62-L66 WeakPolarHBondContact O-CB 3.48Å; Y62-L66 WeakPolarHBondContact O-CG 3.48Å; Y62-L66 PolarHBondContact O-N 3.3Å; Y62-D129 WeakPolarHBondContact OH-CB 3.35Å; Y62-D129 PolarHBondContact OH-OD2 3.34Å; Y62-D129 VanDerWaalsContact OH-OD2 3.13Å
63S96.1Very high94.9Very high14 Ų1448.2 Ų48.210%0.09825%0.253CS..Hα-helixtrans-56-49.4176.5177.50000111.7P59 R60 H61 A67 E74P59-S63 PolarHBondContact O-N 3.36Å; R60-S63 PolarHBondContact O-N 3.04Å; H61-S63 PolarHBondContact O-N 3.43Å; S63-A67 VanDerWaalsContact O-CB 3.31Å; S63-A67 WeakPolarHBondContact O-CB 3.49Å; S63-A67 PolarHBondContact O-N 3.42Å; S63-E74 WeakPolarHBondContact CB-OE1 3.35Å; S63-E74 VanDerWaalsContact OG-CD 3.32Å; S63-E74 PolarHBondContact OG-OE1 3.08Å; S63-E74 PolarHBondContact OG-OE2 3.11Å
64V95.2Very high94.8Very high84 Ų8453.2 Ų53.251%0.50928%0.276SS..Hα-helixtrans-66-43.3179.9176.10000112R60 H61 Y62R60-V64 PolarHBondContact O-N 3.31Å; H61-V64 PolarHBondContact O-N 2.94Å; Y62-V64 VanDerWaalsContact C-N 3.35Å; Y62-V64 PolarHBondContact O-N 2.97Å
65A93.5Very high94.7Very high11 Ų1160.6 Ų60.69%0.09130%0.304CS..Hα-helixtrans-68.1-46.4-17900000111.9Y37 H61 Y62 R68 F69Y37-A65 HydrophobicContact CD1-CB 4.38Å; Y37-A65 HydrophobicContact CD2-CB 4.37Å; Y37-A65 HydrophobicContact CE1-CB 3.84Å; Y37-A65 HydrophobicContact CE2-CB 3.86Å; H61-A65 WeakPolarHBondContact O-CB 3.37Å; H61-A65 PolarHBondContact O-N 2.82Å; Y62-A65 PolarHBondContact O-N 2.86Å; A65-R68 WeakPolarHBondContact O-CB 3.32Å; A65-R68 PolarHBondContact O-N 3.19Å; A65-F69 VanDerWaalsContact O-CD2 3.31Å; A65-F69 WeakPolarHBondContact O-CD2 3.43Å
66L94.8Very high94.7Very high0 Ų060 Ų600%030%0.3CS..Hα-helixtrans-73.9-26-175.6-69.6174.5000113.2Y37 I40 Y62 R68 F69 G70 V71Y37-L66 HydrophobicContact CD1-CD2 3.98Å; Y37-L66 HydrophobicContact CD1-CG 4.46Å; Y37-L66 HydrophobicContact CG-CD2 4.25Å; I40-L66 HydrophobicContact CB-CD2 4.05Å; I40-L66 HydrophobicContact CD1-CD1 4.33Å; I40-L66 HydrophobicContact CD1-CD2 4.36Å; I40-L66 HydrophobicContact CG2-CD1 3.78Å; I40-L66 HydrophobicContact CG2-CD2 3.89Å; Y62-L66 HydrophobicContact CD1-CD1 4.2Å; Y62-L66 HydrophobicContact CD1-CG 4.47Å; Y62-L66 WeakPolarHBondContact O-CB 3.48Å; Y62-L66 WeakPolarHBondContact O-CG 3.48Å; Y62-L66 PolarHBondContact O-N 3.3Å; L66-R68 PolarHBondContact O-N 3.35Å; L66-F69 CarbonylContact O-C 3.58Å; L66-F69 WeakPolarHBondContact O-CA 3.12Å; L66-F69 WeakPolarHBondContact O-CB 3.3Å; L66-F69 PolarHBondContact O-N 3.31Å; L66-G70 PolarHBondContact O-N 3.43Å; L66-V71 CarbonylContact C-O 3.51Å; L66-V71 HydrophobicContact CB-CB 3.96Å; L66-V71 HydrophobicContact CB-CG1 4.26Å; L66-V71 PolarHBondContact O-N 3.25Å; L66-V71 VanDerWaalsContact O-N 3.13Å
67A94.1Very high94.8Very high60 Ų6058.1 Ų58.150%0.49630%0.296SS..Hα-helixtrans-55.8-34.5172.200000112.1S63 F69 G70 V71S63-A67 VanDerWaalsContact O-CB 3.31Å; S63-A67 WeakPolarHBondContact O-CB 3.49Å; S63-A67 PolarHBondContact O-N 3.42Å; A67-F69 PolarHBondContact O-N 3.17Å; A67-G70 PolarHBondContact O-N 3.05Å; A67-V71 WeakPolarHBondContact CA-O 3.28Å; A67-V71 PolarHBondContact N-O 3.36Å
68R89.5Confident94.8Very high148 Ų14864.9 Ų64.956%0.55833%0.326SS*.THydrogen-bonded Turntrans-64.4-21.7175.7-54.7-178.8-174-176.43.8112.9A65 L66 E225A65-R68 WeakPolarHBondContact O-CB 3.32Å; A65-R68 PolarHBondContact O-N 3.19Å; L66-R68 PolarHBondContact O-N 3.35Å; R68-E225 WeakPolarHBondContact CD-O 3.16Å; R68-E225 PolarHBondContact NH1-O 3.37Å
69F88.6Confident94.8Very high33 Ų3366.1 Ų66.115%0.14533%0.33CS..THydrogen-bonded Turntrans-100.812.5177.6-59.7-81.8000112.9F2 Y37 A65 L66 A67 V71F2-F69 AromaticContact CE1-CE1 3.63Å; F2-F69 HydrophobicContact CE1-CE1 3.63Å; F2-F69 HydrophobicContact CE1-CZ 4.41Å; F2-F69 AromaticContact CZ-CE1 3.53Å; F2-F69 HydrophobicContact CZ-CE1 3.53Å; F2-F69 AromaticContact CZ-CZ 3.95Å; F2-F69 HydrophobicContact CZ-CZ 3.95Å; Y37-F69 AromaticContact CD2-CE2 3.74Å; Y37-F69 HydrophobicContact CD2-CE2 3.74Å; Y37-F69 HydrophobicContact CD2-CZ 4.27Å; Y37-F69 HydrophobicContact CG-CE2 4.04Å; A65-F69 VanDerWaalsContact O-CD2 3.31Å; A65-F69 WeakPolarHBondContact O-CD2 3.43Å; L66-F69 CarbonylContact O-C 3.58Å; L66-F69 WeakPolarHBondContact O-CA 3.12Å; L66-F69 WeakPolarHBondContact O-CB 3.3Å; L66-F69 PolarHBondContact O-N 3.31Å; A67-F69 PolarHBondContact O-N 3.17Å; F69-V71 VanDerWaalsContact C-N 3.3Å; F69-V71 PolarHBondContact O-N 3.44Å
70G91.7Very high94.7Very high58 Ų5866.6 Ų66.660%0.59834%0.34SS*.THydrogen-bonded Turntrans75.716.1179.400000114.2L66 A67L66-G70 PolarHBondContact O-N 3.43Å; A67-G70 PolarHBondContact O-N 3.05Å
71V95Very high94.6Very high0 Ų058.2 Ų58.20%031%0.311CS..  trans-99.8113.6178-179.60000108.3Y44 L66 A67 F69 M73 I82Y44-V71 HydrophobicContact CD1-CB 4.12Å; Y44-V71 HydrophobicContact CD1-CG1 3.97Å; Y44-V71 HydrophobicContact CD1-CG2 3.66Å; Y44-V71 HydrophobicContact CD2-CG1 4.07Å; Y44-V71 HydrophobicContact CE1-CB 4.27Å; Y44-V71 HydrophobicContact CE1-CG1 4.15Å; Y44-V71 HydrophobicContact CE1-CG2 4.23Å; Y44-V71 HydrophobicContact CE2-CG1 4.28Å; Y44-V71 HydrophobicContact CG-CB 4.49Å; Y44-V71 HydrophobicContact CG-CG1 3.9Å; Y44-V71 HydrophobicContact CG-CG2 4.08Å; L66-V71 CarbonylContact C-O 3.51Å; L66-V71 HydrophobicContact CB-CB 3.96Å; L66-V71 HydrophobicContact CB-CG1 4.26Å; L66-V71 PolarHBondContact O-N 3.25Å; L66-V71 VanDerWaalsContact O-N 3.13Å; A67-V71 WeakPolarHBondContact CA-O 3.28Å; A67-V71 PolarHBondContact N-O 3.36Å; F69-V71 VanDerWaalsContact C-N 3.3Å; F69-V71 PolarHBondContact O-N 3.44Å; V71-M73 PolarHBondContact O-N 3.39Å; V71-I82 HydrophobicContact CG1-CD1 4.07Å
72Q95.5Very high94.7Very high91 Ų9155 Ų5543%0.42530%0.296SS..  trans-88.999.5174.1-64.4-173.228.600108.9E74 R75 A76Q72-E74 PolarHBondContact O-N 3.08Å; Q72-R75 HydrophobicContact CB-CB 4.31Å; Q72-R75 HydrophobicContact CB-CG 4.45Å; Q72-R75 PolarHBondContact O-N 2.99Å; Q72-R75 VanDerWaalsContact OE1-NH1 3.09Å; Q72-A76 WeakPolarHBondContact O-CB 3.43Å; Q72-A76 PolarHBondContact O-N 3.47Å
73M95.8Very high94.7Very high11 Ų1156.9 Ų56.95%0.05431%0.308CS..Hα-helixtrans-65.8-41.5-167.1-164.8-82.6-110.100112.1P59 V71 R75 A76 V77 L84P59-M73 HydrophobicContact CB-CE 3.6Å; P59-M73 WeakPolarHBondContact O-CE 3.27Å; V71-M73 PolarHBondContact O-N 3.39Å; M73-R75 PolarHBondContact O-N 3.31Å; M73-A76 CarbonylContact O-C 3.6Å; M73-A76 WeakPolarHBondContact O-CB 3.34Å; M73-A76 PolarHBondContact O-N 2.89Å; M73-A76 VanDerWaalsContact O-N 3.12Å; M73-V77 WeakPolarHBondContact O-CG2 3.44Å; M73-V77 PolarHBondContact O-N 3.49Å; M73-V77 HydrophobicContact SD-CG2 3.43Å; M73-V77 WeakPolarHBondContact SD-CG2 3.31Å; M73-L84 HydrophobicContact CE-CD1 3.78Å; M73-L84 HydrophobicContact CE-CD2 4.08Å; M73-L84 HydrophobicContact SD-CD1 4.05Å; M73-L84 HydrophobicContact SD-CD2 4.44Å
74E95.2Very high94.8Very high106 Ų10658.8 Ų58.850%0.49532%0.316SS..Hα-helixtrans-58.1-50.5179.3-63.574.5-16300111.1S63 Q72 A76 V77 E78S63-E74 WeakPolarHBondContact CB-OE1 3.35Å; S63-E74 VanDerWaalsContact OG-CD 3.32Å; S63-E74 PolarHBondContact OG-OE1 3.08Å; S63-E74 PolarHBondContact OG-OE2 3.11Å; Q72-E74 PolarHBondContact O-N 3.08Å; E74-A76 VanDerWaalsContact C-N 3.3Å; E74-A76 PolarHBondContact O-N 2.84Å; E74-V77 PolarHBondContact O-N 2.78Å; E74-E78 WeakPolarHBondContact O-CG 3.21Å; E74-E78 PolarHBondContact O-N 3.49Å
75R96.3Very high94.9Very high156 Ų15655 Ų5559%0.58929%0.294SS*.Hα-helixtrans-62.9-37.8176.9-66.9-172.2-177.8170.6-0.1112.4Q72 M73 V77 N79Q72-R75 HydrophobicContact CB-CB 4.31Å; Q72-R75 HydrophobicContact CB-CG 4.45Å; Q72-R75 PolarHBondContact O-N 2.99Å; Q72-R75 VanDerWaalsContact OE1-NH1 3.09Å; M73-R75 PolarHBondContact O-N 3.31Å; R75-V77 VanDerWaalsContact C-N 3.28Å; R75-V77 PolarHBondContact O-N 3.5Å; R75-N79 WeakPolarHBondContact O-CB 3.43Å; R75-N79 PolarHBondContact O-N 3.44Å; R75-N79 PolarHBondContact O-ND2 2.85Å; R75-N79 PolarHBondContact O-OD1 3.28Å
76A96.9Very high95Very high0 Ų056.4 Ų56.40%030%0.299CS..Hα-helixtrans-68.4-29.3178.800000112.4Y44 Q72 M73 E74 N79 G80 T81 I82Y44-A76 HydrophobicContact CD2-CB 4.13Å; Y44-A76 HydrophobicContact CE2-CB 3.51Å; Q72-A76 WeakPolarHBondContact O-CB 3.43Å; Q72-A76 PolarHBondContact O-N 3.47Å; M73-A76 CarbonylContact O-C 3.6Å; M73-A76 WeakPolarHBondContact O-CB 3.34Å; M73-A76 PolarHBondContact O-N 2.89Å; M73-A76 VanDerWaalsContact O-N 3.12Å; E74-A76 VanDerWaalsContact C-N 3.3Å; E74-A76 PolarHBondContact O-N 2.84Å; A76-N79 VanDerWaalsContact C-OD1 3.3Å; A76-N79 WeakPolarHBondContact CA-OD1 3.46Å; A76-N79 PolarHBondContact O-OD1 3.17Å; A76-G80 PolarHBondContact O-N 3.38Å; A76-T81 PolarHBondContact O-N 2.93Å; A76-I82 HydrophobicContact CB-CB 4.12Å; A76-I82 HydrophobicContact CB-CD1 3.67Å; A76-I82 HydrophobicContact CB-CG1 3.73Å; A76-I82 PolarHBondContact O-N 3.18Å
77V97Very high95Very high55 Ų5557 Ų5733%0.33330%0.302SS..Hα-helixtrans-78.1-46.5173.6172.80000110.8M73 E74 R75 N79 G80 I82 L84M73-V77 WeakPolarHBondContact O-CG2 3.44Å; M73-V77 PolarHBondContact O-N 3.49Å; M73-V77 HydrophobicContact SD-CG2 3.43Å; M73-V77 WeakPolarHBondContact SD-CG2 3.31Å; E74-V77 PolarHBondContact O-N 2.78Å; R75-V77 VanDerWaalsContact C-N 3.28Å; R75-V77 PolarHBondContact O-N 3.5Å; V77-N79 PolarHBondContact O-N 3.49Å; V77-G80 PolarHBondContact O-N 3.35Å; V77-I82 WeakPolarHBondContact CA-O 3.5Å; V77-I82 HydrophobicContact CG2-CB 4.18Å; V77-I82 HydrophobicContact CG2-CG2 4.18Å; V77-L84 HydrophobicContact CG2-CD1 3.77Å; V77-L84 HydrophobicContact CG2-CG 3.89Å
78E96.1Very high95Very high165 Ų16557.1 Ų57.177%0.77130%0.299SS*.Hα-helixtrans-56.4-38.6178.2-75.1172.4-179.900112.5E74 G80E74-E78 WeakPolarHBondContact O-CG 3.21Å; E74-E78 PolarHBondContact O-N 3.49Å; E78-G80 VanDerWaalsContact C-N 3.35Å
79N94.9Very high95.1Very high99 Ų9952.4 Ų52.453%0.52929%0.289SS..THydrogen-bonded Turntrans-88.92.3178.475.49.7000114.2R75 A76 V77 T81R75-N79 WeakPolarHBondContact O-CB 3.43Å; R75-N79 PolarHBondContact O-N 3.44Å; R75-N79 PolarHBondContact O-ND2 2.85Å; R75-N79 PolarHBondContact O-OD1 3.28Å; A76-N79 VanDerWaalsContact C-OD1 3.3Å; A76-N79 WeakPolarHBondContact CA-OD1 3.46Å; A76-N79 PolarHBondContact O-OD1 3.17Å; V77-N79 PolarHBondContact O-N 3.49Å; N79-T81 VanDerWaalsContact C-N 3.28Å; N79-T81 PolarHBondContact ND2-OG1 3.39Å; N79-T81 PolarHBondContact O-N 2.88Å; N79-T81 WeakPolarHBondContact OD1-CB 3.4Å; N79-T81 PolarHBondContact OD1-N 3.44Å; N79-T81 PolarHBondContact OD1-OG1 2.91Å
80G94.1Very high95.3Very high33 Ų3351.1 Ų51.134%0.3428%0.284SS..THydrogen-bonded Turntrans71.911.8178.400000115.6A76 V77 E78A76-G80 PolarHBondContact O-N 3.38Å; V77-G80 PolarHBondContact O-N 3.35Å; E78-G80 VanDerWaalsContact C-N 3.35Å
81T95.1Very high95.3Very high29 Ų2951.9 Ų51.918%0.17827%0.274CS..SBendtrans-69.7-38.5173-53.90000110.8Y44 R48 K49 V50 A76 N79Y44-T81 HydrophobicContact CD2-CG2 3.87Å; Y44-T81 HydrophobicContact CE2-CG2 4.22Å; R48-T81 WeakPolarHBondContact O-CG2 3.41Å; K49-T81 CarbonylContact C-O 3.47Å; K49-T81 VanDerWaalsContact CA-O 3.24Å; K49-T81 WeakPolarHBondContact CA-O 3.38Å; V50-T81 PolarHBondContact N-O 3.48Å; A76-T81 PolarHBondContact O-N 2.93Å; N79-T81 VanDerWaalsContact C-N 3.28Å; N79-T81 PolarHBondContact ND2-OG1 3.39Å; N79-T81 PolarHBondContact O-N 2.88Å; N79-T81 WeakPolarHBondContact OD1-CB 3.4Å; N79-T81 PolarHBondContact OD1-N 3.44Å; N79-T81 PolarHBondContact OD1-OG1 2.91Å
82I97.3Very high95.2Very high2 Ų256.4 Ų56.41%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-111.3124.8172.7-62.2-178.4000108.4I40 Y44 V50 L52 V71 A76 V77 L84I40-I82 HydrophobicContact CG2-CD1 4.37Å; Y44-I82 HydrophobicContact CD2-CD1 4.41Å; V50-I82 HydrophobicContact CB-CG1 4.18Å; V50-I82 CarbonylContact O-C 3.59Å; V50-I82 VanDerWaalsContact O-CA 3.27Å; V50-I82 WeakPolarHBondContact O-CA 3.31Å; L52-I82 HydrophobicContact CB-CG2 4.49Å; V71-I82 HydrophobicContact CG1-CD1 4.07Å; A76-I82 HydrophobicContact CB-CB 4.12Å; A76-I82 HydrophobicContact CB-CD1 3.67Å; A76-I82 HydrophobicContact CB-CG1 3.73Å; A76-I82 PolarHBondContact O-N 3.18Å; V77-I82 WeakPolarHBondContact CA-O 3.5Å; V77-I82 HydrophobicContact CG2-CB 4.18Å; V77-I82 HydrophobicContact CG2-CG2 4.18Å; I82-L84 HydrophobicContact CG2-CD2 4.03Å; I82-L84 HydrophobicContact CG2-CG 4.5Å
83V96.6Very high94.9Very high40 Ų4058.2 Ų58.224%0.24231%0.312CS..EExtended strand (participates in β ladder)trans-107.7125172.4179.40000108V50 V51 L52 A113 F117V50-V83 PolarHBondContact O-N 2.67Å; V51-V83 CarbonylContact C-O 3.52Å; V51-V83 WeakPolarHBondContact CA-O 3.41Å; V51-V83 HydrophobicContact CG2-CB 4.39Å; L52-V83 PolarHBondContact N-O 3.21Å; V83-A113 HydrophobicContact CG1-CB 3.68Å; V83-F117 HydrophobicContact CG2-CZ 4.32Å
84L97.1Very high94.6Very high53 Ų5361.2 Ų61.228%0.27732%0.323SS..EExtended strand (participates in β ladder)trans-96135.7-178.6-62.2172.8000111L52 P59 M73 V77 I82L52-L84 HydrophobicContact CB-CD2 4.17Å; L52-L84 HydrophobicContact CD2-CD2 4.03Å; L52-L84 HydrophobicContact CG-CD2 4.36Å; P59-L84 HydrophobicContact CB-CD1 3.94Å; P59-L84 HydrophobicContact CG-CD1 4.26Å; M73-L84 HydrophobicContact CE-CD1 3.78Å; M73-L84 HydrophobicContact CE-CD2 4.08Å; M73-L84 HydrophobicContact SD-CD1 4.05Å; M73-L84 HydrophobicContact SD-CD2 4.44Å; V77-L84 HydrophobicContact CG2-CD1 3.77Å; V77-L84 HydrophobicContact CG2-CG 3.89Å; I82-L84 HydrophobicContact CG2-CD2 4.03Å; I82-L84 HydrophobicContact CG2-CG 4.5Å
85V97.1Very high94.2Very high6 Ų661.5 Ų61.54%0.03633%0.327CS..EExtended strand (participates in β ladder)trans-116.4103163.8179.40000106.7V51 L52 V53 C54 L106 E109 A113V51-V85 HydrophobicContact CG1-CG2 4.21Å; L52-V85 PolarHBondContact O-N 3.5Å; V53-V85 CarbonylContact C-O 3.59Å; V53-V85 WeakPolarHBondContact CA-O 3.04Å; V53-V85 HydrophobicContact CB-CB 4.36Å; V53-V85 HydrophobicContact CG1-CB 4.14Å; V53-V85 HydrophobicContact CG1-CG1 4.03Å; V53-V85 HydrophobicContact CG2-CB 4.13Å; V53-V85 HydrophobicContact CG2-CG2 4.46Å; C54-V85 PolarHBondContact N-O 3.06Å; V85-L106 HydrophobicContact CG1-CD1 3.68Å; V85-E109 HydrophobicContact CG1-CB 3.97Å; V85-A113 HydrophobicContact CG2-CB 3.46Å; V85-A113 VanDerWaalsContact CG2-CB 3.46Å
86D95.6Very high93.6Very high39 Ų3956.9 Ų56.921%0.20933%0.328CS..EExtended strand (participates in β ladder)trans-96.9114.5-173.6-173.8-7.3000111.1P59 S88 S89 T90P59-D86 HydrophobicContact CG-CB 4.27Å; D86-S88 VanDerWaalsContact C-N 3.26Å; D86-S88 PolarHBondContact O-N 3.19Å; D86-S88 WeakPolarHBondContact OD1-CB 3.32Å; D86-S88 PolarHBondContact OD1-N 2.63Å; D86-S88 PolarHBondContact OD1-OG 3.15Å; D86-S88 PolarHBondContact OD2-OG 2.97Å; D86-S88 VanDerWaalsContact OD2-OG 3.05Å; D86-S89 WeakPolarHBondContact O-CB 3.46Å; D86-S89 PolarHBondContact O-N 2.98Å; D86-T90 PolarHBondContact O-N 3.06Å; D86-T90 VanDerWaalsContact O-N 3.08Å; D86-T90 PolarHBondContact O-OG1 3.31Å; D86-T90 VanDerWaalsContact O-OG1 3.08Å
87F95.8Very high92.9Very high14 Ų1461.6 Ų61.66%0.06135%0.351CS..Hα-helixtrans-63.8-32.8177.7-176.1-116.9000112.1C54 I55 S89 T90 L91 L102 L106 L134 L137C54-F87 WeakPolarHBondContact O-CB 3.48Å; C54-F87 PolarHBondContact O-N 2.87Å; I55-F87 HydrophobicContact CB-CB 4.37Å; I55-F87 HydrophobicContact CG1-CB 4.41Å; I55-F87 HydrophobicContact CG2-CB 4.42Å; I55-F87 HydrophobicContact CG2-CD1 4.05Å; I55-F87 HydrophobicContact CG2-CG 4.17Å; F87-S89 VanDerWaalsContact C-N 3.31Å; F87-S89 PolarHBondContact O-N 2.73Å; F87-T90 CarbonylContact O-C 3.59Å; F87-T90 WeakPolarHBondContact O-CB 3.4Å; F87-T90 PolarHBondContact O-N 3.24Å; F87-T90 VanDerWaalsContact O-N 3.11Å; F87-L91 VanDerWaalsContact O-CB 3.31Å; F87-L91 WeakPolarHBondContact O-CB 3.45Å; F87-L91 PolarHBondContact O-N 2.86Å; F87-L102 HydrophobicContact CE2-CD1 4.12Å; F87-L102 HydrophobicContact CE2-CD2 3.99Å; F87-L102 HydrophobicContact CE2-CG 3.92Å; F87-L102 HydrophobicContact CZ-CD2 3.74Å; F87-L102 HydrophobicContact CZ-CG 4.2Å; F87-L106 HydrophobicContact CD2-CD1 4.26Å; F87-L106 HydrophobicContact CD2-CD2 3.94Å; F87-L106 HydrophobicContact CE2-CD2 4.38Å; F87-L134 HydrophobicContact CD2-CD2 4.25Å; F87-L134 HydrophobicContact CE2-CD2 3.93Å; F87-L134 HydrophobicContact CZ-CD2 4.14Å; F87-L137 HydrophobicContact CE1-CD2 4.45Å; F87-L137 HydrophobicContact CE2-CD1 4.21Å; F87-L137 HydrophobicContact CZ-CD1 3.74Å; F87-L137 HydrophobicContact CZ-CD2 3.98Å; F87-L137 HydrophobicContact CZ-CG 4.47Å
88S93Very high92.5Very high62 Ų6266 Ų6643%0.43437%0.367SS..Hα-helixtrans-66-36177.472.70000112D86 T90 L91 S92D86-S88 VanDerWaalsContact C-N 3.26Å; D86-S88 PolarHBondContact O-N 3.19Å; D86-S88 WeakPolarHBondContact OD1-CB 3.32Å; D86-S88 PolarHBondContact OD1-N 2.63Å; D86-S88 PolarHBondContact OD1-OG 3.15Å; D86-S88 PolarHBondContact OD2-OG 2.97Å; D86-S88 VanDerWaalsContact OD2-OG 3.05Å; S88-T90 VanDerWaalsContact C-N 3.35Å; S88-L91 PolarHBondContact O-N 3.05Å; S88-S92 WeakPolarHBondContact O-CB 3.45Å; S88-S92 PolarHBondContact O-N 3.26Å; S88-S92 PolarHBondContact O-OG 3.47Å
89S93.2Very high92.2Very high48 Ų4860 Ų6034%0.33634%0.343SS..Hα-helixtrans-68.4-34.6171.5-172.20000112.1D86 F87 S92 K93D86-S89 WeakPolarHBondContact O-CB 3.46Å; D86-S89 PolarHBondContact O-N 2.98Å; F87-S89 VanDerWaalsContact C-N 3.31Å; F87-S89 PolarHBondContact O-N 2.73Å; S89-S92 PolarHBondContact O-OG 2.82Å; S89-K93 WeakPolarHBondContact O-CG 3.39Å
90T92.6Very high92.1Very high6 Ų655.9 Ų55.94%0.03732%0.323CS..Hα-helixtrans-70-41.1175.7-53.20000110.9D86 F87 S88 K93 W94 L102 N105 L106D86-T90 PolarHBondContact O-N 3.06Å; D86-T90 VanDerWaalsContact O-N 3.08Å; D86-T90 PolarHBondContact O-OG1 3.31Å; D86-T90 VanDerWaalsContact O-OG1 3.08Å; F87-T90 CarbonylContact O-C 3.59Å; F87-T90 WeakPolarHBondContact O-CB 3.4Å; F87-T90 PolarHBondContact O-N 3.24Å; F87-T90 VanDerWaalsContact O-N 3.11Å; S88-T90 VanDerWaalsContact C-N 3.35Å; T90-K93 PolarHBondContact O-N 3.48Å; T90-W94 PolarHBondContact O-N 2.69Å; T90-L102 HydrophobicContact CG2-CD1 3.95Å; T90-N105 HydrophobicContact CG2-CB 3.88Å; T90-L106 HydrophobicContact CG2-CB 4.26Å
91L92Very high92Very high74 Ų7457.5 Ų57.539%0.38732%0.32SS..Hα-helixtrans-66.7-38.1177.5-173.668.2000112F87 S88 K93 W94 L102F87-L91 VanDerWaalsContact O-CB 3.31Å; F87-L91 WeakPolarHBondContact O-CB 3.45Å; F87-L91 PolarHBondContact O-N 2.86Å; S88-L91 PolarHBondContact O-N 3.05Å; L91-K93 PolarHBondContact O-N 2.97Å; L91-W94 HydrophobicContact CD1-CD2 4.49Å; L91-W94 HydrophobicContact CD1-CE3 3.62Å; L91-W94 HydrophobicContact CD1-CZ3 4.08Å; L91-W94 VanDerWaalsContact O-CB 3.29Å; L91-W94 WeakPolarHBondContact O-CB 3.45Å; L91-W94 PolarHBondContact O-N 2.89Å; L91-L102 HydrophobicContact CD1-CD1 4.31Å; L91-L102 HydrophobicContact CD1-CD2 3.71Å
92S91.8Very high91.9Very high96 Ų9656.1 Ų56.167%0.67131%0.312SS*.Hα-helixtrans-67.6-23.6178.868.20000113.6S88 S89S88-S92 WeakPolarHBondContact O-CB 3.45Å; S88-S92 PolarHBondContact O-N 3.26Å; S88-S92 PolarHBondContact O-OG 3.47Å; S89-S92 PolarHBondContact O-OG 2.82Å
93K89.3Confident91.8Very high128 Ų12856.1 Ų56.156%0.55731%0.312SS*.THydrogen-bonded Turntrans-86.9-9.4173.3-61.3170.3-166.7171.30112.7S89 T90 L91 N95 E109S89-K93 WeakPolarHBondContact O-CG 3.39Å; T90-K93 PolarHBondContact O-N 3.48Å; L91-K93 PolarHBondContact O-N 2.97Å; K93-N95 PolarHBondContact O-N 3.24Å; K93-E109 IonicContact NZ-OE1 3.07Å; K93-E109 PolarHBondContact NZ-OE1 2.98Å
94W89.5Confident91.6Very high75 Ų7558.5 Ų58.528%0.28432%0.32SS..  trans-78.8121.8-178.4-177.255000110.3T90 L91 G96 Q97 L102T90-W94 PolarHBondContact O-N 2.69Å; L91-W94 HydrophobicContact CD1-CD2 4.49Å; L91-W94 HydrophobicContact CD1-CE3 3.62Å; L91-W94 HydrophobicContact CD1-CZ3 4.08Å; L91-W94 VanDerWaalsContact O-CB 3.29Å; L91-W94 WeakPolarHBondContact O-CB 3.45Å; L91-W94 PolarHBondContact O-N 2.89Å; W94-G96 PolarHBondContact O-N 2.88Å; W94-Q97 VanDerWaalsContact CE2-O 3.23Å; W94-Q97 WeakPolarHBondContact CZ2-O 3.23Å; W94-Q97 PolarHBondContact NE1-O 3.22Å; W94-L102 HydrophobicContact CB-CD1 3.91Å; W94-L102 HydrophobicContact CD2-CB 4.29Å; W94-L102 HydrophobicContact CD2-CD1 4.37Å; W94-L102 HydrophobicContact CD2-CD2 4.16Å; W94-L102 HydrophobicContact CE3-CD2 4.18Å; W94-L102 HydrophobicContact CG-CB 4.27Å; W94-L102 HydrophobicContact CG-CD1 3.99Å; W94-L102 HydrophobicContact CZ2-CB 4.48Å; W94-L102 HydrophobicContact CZ3-CD2 4.41Å
95N87.5Confident91.5Very high111 Ų11157.8 Ų57.859%0.59432%0.317SS*.  trans-84.718.9-176.761.2-6.9000113.6K93 Q97K93-N95 PolarHBondContact O-N 3.24Å; N95-Q97 VanDerWaalsContact C-N 3.29Å; N95-Q97 VanDerWaalsContact ND2-CD 3.34Å; N95-Q97 PolarHBondContact ND2-NE2 2.74Å; N95-Q97 PolarHBondContact O-N 3.38Å; N95-Q97 VanDerWaalsContact OD1-CB 3.29Å; N95-Q97 WeakPolarHBondContact OD1-CB 3.17Å; N95-Q97 WeakPolarHBondContact OD1-CG 3.44Å; N95-Q97 PolarHBondContact OD1-N 2.84Å; N95-Q97 PolarHBondContact OD1-OE1 3.38Å
96G82.1Confident91.4Very high59 Ų5957.5 Ų57.561%0.60832%0.315SS*.SBendtrans72.718.4-176.900000114.6W94W94-G96 PolarHBondContact O-N 2.88Å
97Q83.8Confident91.4Very high100 Ų10056.6 Ų56.647%0.46731%0.311SS..  trans-59.8-178.3167.1-85.6173.2-7.200112W94 N95 K101W94-Q97 VanDerWaalsContact CE2-O 3.23Å; W94-Q97 WeakPolarHBondContact CZ2-O 3.23Å; W94-Q97 PolarHBondContact NE1-O 3.22Å; N95-Q97 VanDerWaalsContact C-N 3.29Å; N95-Q97 VanDerWaalsContact ND2-CD 3.34Å; N95-Q97 PolarHBondContact ND2-NE2 2.74Å; N95-Q97 PolarHBondContact O-N 3.38Å; N95-Q97 VanDerWaalsContact OD1-CB 3.29Å; N95-Q97 WeakPolarHBondContact OD1-CB 3.17Å; N95-Q97 WeakPolarHBondContact OD1-CG 3.44Å; N95-Q97 PolarHBondContact OD1-N 2.84Å; N95-Q97 PolarHBondContact OD1-OE1 3.38Å; Q97-K101 HydrophobicContact CB-CB 4.39Å
98E88.6Confident91.4Very high147 Ų14760.4 Ų60.469%0.68733%0.329SS*.  trans-56142.2177.3-64.8-175.617100112.2A100 K101E98-A100 PolarHBondContact O-N 3.37Å; E98-K101 WeakPolarHBondContact O-CB 3.49Å; E98-K101 PolarHBondContact O-N 3.32Å
99P89.6Confident91.5Very high40 Ų4059.7 Ų59.726%0.2632%0.319SS..Hα-helixtrans-55.3-25.6178-27.434.5000114.4K101 L102 L103 L137P99-K101 VanDerWaalsContact C-N 3.29Å; P99-K101 PolarHBondContact O-N 3.44Å; P99-L102 WeakPolarHBondContact O-CB 3.48Å; P99-L102 PolarHBondContact O-N 2.9Å; P99-L103 PolarHBondContact O-N 3.31Å; P99-L137 VanDerWaalsContact CB-O 3.25Å; P99-L137 WeakPolarHBondContact CB-O 3.3Å; P99-L137 WeakPolarHBondContact CG-O 3.48Å
100A91.6Very high91.6Very high12 Ų1257.4 Ų57.410%0.09930%0.303CS..Hα-helixtrans-57.3-42.5172.800000111.8E98 L102 L103 E104 P140E98-A100 PolarHBondContact O-N 3.37Å; A100-L102 VanDerWaalsContact C-N 3.29Å; A100-L102 PolarHBondContact O-N 3.05Å; A100-L103 PolarHBondContact O-N 2.96Å; A100-E104 WeakPolarHBondContact O-CG 3.49Å; A100-E104 PolarHBondContact O-N 2.71Å; A100-P140 HydrophobicContact CB-CG 4.47Å
101K92.4Very high91.7Very high66 Ų6659 Ų5929%0.28731%0.314SS..Hα-helixtrans-66.4-33.1179.5-166.672.8-151.9161.50112.2Q97 E98 P99 L103 E104 N105Q97-K101 HydrophobicContact CB-CB 4.39Å; E98-K101 WeakPolarHBondContact O-CB 3.49Å; E98-K101 PolarHBondContact O-N 3.32Å; P99-K101 VanDerWaalsContact C-N 3.29Å; P99-K101 PolarHBondContact O-N 3.44Å; K101-L103 VanDerWaalsContact C-N 3.34Å; K101-E104 WeakPolarHBondContact CD-OE2 3.33Å; K101-E104 WeakPolarHBondContact CE-OE2 3.31Å; K101-E104 IonicContact NZ-OE2 2.71Å; K101-E104 PolarHBondContact NZ-OE2 3.02Å; K101-E104 PolarHBondContact O-N 3.25Å; K101-N105 WeakPolarHBondContact CE-OD1 3.36Å; K101-N105 WeakPolarHBondContact O-CB 3.44Å; K101-N105 PolarHBondContact O-N 2.65Å; K101-N105 PolarHBondContact O-OD1 2.77Å
102L93.7Very high91.8Very high1 Ų161.9 Ų61.91%0.00532%0.32CS..Hα-helixtrans-62.6-42.5174.7179.560.4000111.4F87 T90 L91 W94 P99 A100 N105 L106 L137F87-L102 HydrophobicContact CE2-CD1 4.12Å; F87-L102 HydrophobicContact CE2-CD2 3.99Å; F87-L102 HydrophobicContact CE2-CG 3.92Å; F87-L102 HydrophobicContact CZ-CD2 3.74Å; F87-L102 HydrophobicContact CZ-CG 4.2Å; T90-L102 HydrophobicContact CG2-CD1 3.95Å; L91-L102 HydrophobicContact CD1-CD1 4.31Å; L91-L102 HydrophobicContact CD1-CD2 3.71Å; W94-L102 HydrophobicContact CB-CD1 3.91Å; W94-L102 HydrophobicContact CD2-CB 4.29Å; W94-L102 HydrophobicContact CD2-CD1 4.37Å; W94-L102 HydrophobicContact CD2-CD2 4.16Å; W94-L102 HydrophobicContact CE3-CD2 4.18Å; W94-L102 HydrophobicContact CG-CB 4.27Å; W94-L102 HydrophobicContact CG-CD1 3.99Å; W94-L102 HydrophobicContact CZ2-CB 4.48Å; W94-L102 HydrophobicContact CZ3-CD2 4.41Å; P99-L102 WeakPolarHBondContact O-CB 3.48Å; P99-L102 PolarHBondContact O-N 2.9Å; A100-L102 VanDerWaalsContact C-N 3.29Å; A100-L102 PolarHBondContact O-N 3.05Å; L102-N105 PolarHBondContact O-N 2.86Å; L102-L106 PolarHBondContact O-N 3.46Å; L102-L137 HydrophobicContact CD2-CD1 4.19Å; L102-L137 HydrophobicContact CD2-CD2 4.28Å
103L94.3Very high91.9Very high1 Ų158 Ų581%0.00529%0.294CS..Hα-helixtrans-68.5-36.9174.3-74.7-179.1000112.9P99 A100 K101 L106 T107 L134 L137 S139 L144P99-L103 PolarHBondContact O-N 3.31Å; A100-L103 PolarHBondContact O-N 2.96Å; K101-L103 VanDerWaalsContact C-N 3.34Å; L103-L106 PolarHBondContact O-N 3.38Å; L103-T107 WeakPolarHBondContact O-CB 3.29Å; L103-T107 PolarHBondContact O-N 3.36Å; L103-T107 PolarHBondContact O-OG1 3.26Å; L103-L134 HydrophobicContact CD2-CB 4.2Å; L103-L134 HydrophobicContact CD2-CD1 3.97Å; L103-L134 HydrophobicContact CD2-CD2 3.95Å; L103-L134 HydrophobicContact CD2-CG 4.26Å; L103-L137 HydrophobicContact CD2-CD1 4.11Å; L103-L137 HydrophobicContact CG-CD1 4.41Å; L103-S139 WeakPolarHBondContact CD1-OG 3.34Å; L103-L144 HydrophobicContact CD1-CB 4.29Å
104E93.7Very high92Very high90 Ų9052 Ų5242%0.42127%0.268SS..Hα-helixtrans-60.1-47.5172.6-72.2175.9-165.600111.1A100 K101 L106 T107 E108A100-E104 WeakPolarHBondContact O-CG 3.49Å; A100-E104 PolarHBondContact O-N 2.71Å; K101-E104 WeakPolarHBondContact CD-OE2 3.33Å; K101-E104 WeakPolarHBondContact CE-OE2 3.31Å; K101-E104 IonicContact NZ-OE2 2.71Å; K101-E104 PolarHBondContact NZ-OE2 3.02Å; K101-E104 PolarHBondContact O-N 3.25Å; E104-L106 VanDerWaalsContact C-N 3.31Å; E104-L106 PolarHBondContact O-N 3.35Å; E104-T107 CarbonylContact O-C 3.53Å; E104-T107 WeakPolarHBondContact O-CA 3.42Å; E104-T107 WeakPolarHBondContact O-CB 3.04Å; E104-T107 PolarHBondContact O-N 2.94Å; E104-E108 WeakPolarHBondContact O-CG 3.37Å; E104-E108 PolarHBondContact O-N 3.32Å
105N94.4Very high92Very high39 Ų3952.4 Ų52.421%0.20928%0.281CS..Hα-helixtrans-60-42.3177.7-67-10.1000111.5T90 K101 L102 T107 E108 E109T90-N105 HydrophobicContact CG2-CB 3.88Å; K101-N105 WeakPolarHBondContact CE-OD1 3.36Å; K101-N105 WeakPolarHBondContact O-CB 3.44Å; K101-N105 PolarHBondContact O-N 2.65Å; K101-N105 PolarHBondContact O-OD1 2.77Å; L102-N105 PolarHBondContact O-N 2.86Å; N105-T107 VanDerWaalsContact C-N 3.31Å; N105-T107 PolarHBondContact O-N 3.04Å; N105-E108 PolarHBondContact O-N 3.23Å; N105-E109 WeakPolarHBondContact O-CG 3.39Å; N105-E109 PolarHBondContact O-N 3.46Å
106L95.9Very high91.8Very high0 Ų051.5 Ų51.50%028%0.281CS..Hα-helixtrans-63.5-38.5175.1-176.563.6000111.7V53 V85 F87 T90 L102 L103 E104 E109 L110 L134 F147V53-L106 HydrophobicContact CG1-CD1 4.27Å; V85-L106 HydrophobicContact CG1-CD1 3.68Å; F87-L106 HydrophobicContact CD2-CD1 4.26Å; F87-L106 HydrophobicContact CD2-CD2 3.94Å; F87-L106 HydrophobicContact CE2-CD2 4.38Å; T90-L106 HydrophobicContact CG2-CB 4.26Å; L102-L106 PolarHBondContact O-N 3.46Å; L103-L106 PolarHBondContact O-N 3.38Å; E104-L106 VanDerWaalsContact C-N 3.31Å; E104-L106 PolarHBondContact O-N 3.35Å; L106-E109 PolarHBondContact O-N 3.39Å; L106-L110 WeakPolarHBondContact O-CB 3.36Å; L106-L110 PolarHBondContact O-N 2.98Å; L106-L134 HydrophobicContact CD2-CD1 3.98Å; L106-L134 HydrophobicContact CD2-CD2 3.96Å; L106-F147 HydrophobicContact CD2-CD2 4.37Å; L106-F147 HydrophobicContact CD2-CE2 3.77Å; L106-F147 HydrophobicContact CD2-CZ 3.95Å; L106-F147 HydrophobicContact CG-CD2 4.44Å; L106-F147 HydrophobicContact CG-CE2 3.8Å; L106-F147 HydrophobicContact CG-CZ 4.38Å
107T95.4Very high91.6Very high20 Ų2049.8 Ų49.812%0.12326%0.257CS..Hα-helixtrans-65.4-38.4176.4-54.50000111.6L103 E104 N105 S111 F147 T150L103-T107 WeakPolarHBondContact O-CB 3.29Å; L103-T107 PolarHBondContact O-N 3.36Å; L103-T107 PolarHBondContact O-OG1 3.26Å; E104-T107 CarbonylContact O-C 3.53Å; E104-T107 WeakPolarHBondContact O-CA 3.42Å; E104-T107 WeakPolarHBondContact O-CB 3.04Å; E104-T107 PolarHBondContact O-N 2.94Å; N105-T107 VanDerWaalsContact C-N 3.31Å; N105-T107 PolarHBondContact O-N 3.04Å; T107-S111 WeakPolarHBondContact O-CB 3.4Å; T107-S111 PolarHBondContact O-N 3.18Å; T107-S111 PolarHBondContact O-OG 2.97Å; T107-F147 WeakPolarHBondContact OG1-CD2 3.29Å; T107-T150 HydrophobicContact CG2-CG2 3.76Å
108E94.6Very high91.2Very high94 Ų9451 Ų5144%0.43926%0.26SS..Hα-helixtrans-66.5-45174.2-72.3179.1-165.300111.9E104 N105 L110 S111 R112E104-E108 WeakPolarHBondContact O-CG 3.37Å; E104-E108 PolarHBondContact O-N 3.32Å; N105-E108 PolarHBondContact O-N 3.23Å; E108-L110 VanDerWaalsContact C-N 3.34Å; E108-L110 PolarHBondContact O-N 2.98Å; E108-S111 PolarHBondContact O-N 2.9Å; E108-R112 WeakPolarHBondContact O-CG 3.44Å; E108-R112 PolarHBondContact O-N 3.39Å
109E95.1Very high90.4Very high46 Ų4648 Ų4822%0.21527%0.269CS..Hα-helixtrans-61.2-43.2175.3-69.4-69.3-178.600111.3V85 K93 N105 L106 S111 R112 A113V85-E109 HydrophobicContact CG1-CB 3.97Å; K93-E109 IonicContact NZ-OE1 3.07Å; K93-E109 PolarHBondContact NZ-OE1 2.98Å; N105-E109 WeakPolarHBondContact O-CG 3.39Å; N105-E109 PolarHBondContact O-N 3.46Å; L106-E109 PolarHBondContact O-N 3.39Å; E109-S111 VanDerWaalsContact C-N 3.34Å; E109-S111 PolarHBondContact O-N 3.35Å; E109-R112 PolarHBondContact O-N 2.86Å; E109-R112 IonicContact OE1-CZ 2.76Å; E109-R112 IonicContact OE1-NH2 3.94Å; E109-R112 PolarHBondContact OE1-NH2 2.83Å; E109-R112 IonicContact OE2-CZ 3.62Å; E109-R112 IonicContact OE2-NE 2.91Å; E109-R112 PolarHBondContact OE2-NE 3.4Å; E109-R112 VanDerWaalsContact OE2-NE 3.1Å; E109-R112 IonicContact OE2-NH2 2.65Å; E109-R112 PolarHBondContact OE2-NH2 3.39Å; E109-A113 WeakPolarHBondContact O-CB 3.42Å; E109-A113 PolarHBondContact O-N 2.98Å
110L95.7Very high90Very high0 Ų047.8 Ų47.80%027%0.269CS..Hα-helixtrans-58.5-46.1173.1174.265.5000111.4V51 V53 L106 E108 R112 A113 T114 L126 F147 T150 C151V51-L110 HydrophobicContact CG1-CD1 4.36Å; V53-L110 HydrophobicContact CG2-CD1 3.88Å; L106-L110 WeakPolarHBondContact O-CB 3.36Å; L106-L110 PolarHBondContact O-N 2.98Å; E108-L110 VanDerWaalsContact C-N 3.34Å; E108-L110 PolarHBondContact O-N 2.98Å; L110-R112 VanDerWaalsContact C-N 3.32Å; L110-R112 PolarHBondContact O-N 2.7Å; L110-A113 PolarHBondContact O-N 2.87Å; L110-T114 HydrophobicContact CD1-CG2 3.76Å; L110-T114 HydrophobicContact CG-CG2 4.43Å; L110-T114 WeakPolarHBondContact O-CB 3.44Å; L110-T114 VanDerWaalsContact O-CG2 3.28Å; L110-T114 WeakPolarHBondContact O-CG2 3.4Å; L110-T114 PolarHBondContact O-N 3.08Å; L110-T114 PolarHBondContact O-OG1 3.22Å; L110-L126 HydrophobicContact CD1-CD1 3.68Å; L110-L126 HydrophobicContact CD1-CD2 4.18Å; L110-F147 HydrophobicContact CD2-CE2 4.07Å; L110-T150 HydrophobicContact CD2-CG2 4.39Å; L110-C151 HydrophobicContact CD2-CB 4.48Å; L110-C151 WeakPolarHBondContact CD2-SG 3.23Å
111S94.3Very high89.6Confident39 Ų3954 Ų5427%0.27330%0.301SS..Hα-helixtrans-63.3-38.1179.8-64.10000111.9T107 E108 E109 T114 C115T107-S111 WeakPolarHBondContact O-CB 3.4Å; T107-S111 PolarHBondContact O-N 3.18Å; T107-S111 PolarHBondContact O-OG 2.97Å; E108-S111 PolarHBondContact O-N 2.9Å; E109-S111 VanDerWaalsContact C-N 3.34Å; E109-S111 PolarHBondContact O-N 3.35Å; S111-T114 PolarHBondContact O-N 3.46Å; S111-T114 PolarHBondContact O-OG1 3.26Å; S111-C115 WeakPolarHBondContact O-CB 3.47Å; S111-C115 PolarHBondContact O-N 3.1Å
112R94.1Very high89.5Confident136 Ų13655.5 Ų55.551%0.51331%0.308SS..Hα-helixtrans-65.5-50.1173.4-75.9-167.2-75.1-101.611.5111.8E108 E109 L110 T114 C115E108-R112 WeakPolarHBondContact O-CG 3.44Å; E108-R112 PolarHBondContact O-N 3.39Å; E109-R112 PolarHBondContact O-N 2.86Å; E109-R112 IonicContact OE1-CZ 2.76Å; E109-R112 IonicContact OE1-NH2 3.94Å; E109-R112 PolarHBondContact OE1-NH2 2.83Å; E109-R112 IonicContact OE2-CZ 3.62Å; E109-R112 IonicContact OE2-NE 2.91Å; E109-R112 PolarHBondContact OE2-NE 3.4Å; E109-R112 VanDerWaalsContact OE2-NE 3.1Å; E109-R112 IonicContact OE2-NH2 2.65Å; E109-R112 PolarHBondContact OE2-NH2 3.39Å; L110-R112 VanDerWaalsContact C-N 3.32Å; L110-R112 PolarHBondContact O-N 2.7Å; R112-T114 PolarHBondContact O-N 2.96Å; R112-C115 PolarHBondContact O-N 2.8Å
113A94Very high89.6Confident15 Ų1558.2 Ų58.212%0.12432%0.321CS..Hα-helixtrans-57.9-33.817900000111.6V51 V83 V85 E109 L110 F117V51-A113 HydrophobicContact CG1-CB 4.23Å; V83-A113 HydrophobicContact CG1-CB 3.68Å; V85-A113 HydrophobicContact CG2-CB 3.46Å; V85-A113 VanDerWaalsContact CG2-CB 3.46Å; E109-A113 WeakPolarHBondContact O-CB 3.42Å; E109-A113 PolarHBondContact O-N 2.98Å; L110-A113 PolarHBondContact O-N 2.87Å; A113-F117 WeakPolarHBondContact O-CE2 3.24Å
114T92.2Very high89.6Confident2 Ų258.5 Ų58.51%0.01232%0.323CS..Hα-helixtrans-98.4-12.2-173.858.10000115.6V51 L110 S111 R112 P116 F117 K118 T154V51-T114 HydrophobicContact CB-CG2 4.39Å; V51-T114 HydrophobicContact CG1-CG2 4.08Å; V51-T114 HydrophobicContact CG2-CG2 3.97Å; L110-T114 HydrophobicContact CD1-CG2 3.76Å; L110-T114 HydrophobicContact CG-CG2 4.43Å; L110-T114 WeakPolarHBondContact O-CB 3.44Å; L110-T114 VanDerWaalsContact O-CG2 3.28Å; L110-T114 WeakPolarHBondContact O-CG2 3.4Å; L110-T114 PolarHBondContact O-N 3.08Å; L110-T114 PolarHBondContact O-OG1 3.22Å; S111-T114 PolarHBondContact O-N 3.46Å; S111-T114 PolarHBondContact O-OG1 3.26Å; R112-T114 PolarHBondContact O-N 2.96Å; T114-P116 VanDerWaalsContact C-N 3.29Å; T114-F117 VanDerWaalsContact CA-CD2 3.44Å; T114-F117 HydrophobicContact CG2-CD2 4.33Å; T114-F117 VanDerWaalsContact O-CD2 3.3Å; T114-F117 WeakPolarHBondContact O-CD2 3.47Å; T114-F117 PolarHBondContact O-N 2.86Å; T114-K118 PolarHBondContact O-N 3.02Å; T114-T154 HydrophobicContact CG2-CG2 3.49Å; T114-T154 VanDerWaalsContact CG2-CG2 3.49Å; T114-T154 WeakPolarHBondContact OG1-CG2 3.46Å
115C89.1Confident89.8Confident82 Ų8254.3 Ų54.355%0.55430%0.304SS*.G310 helixtrans-49-43.3178.1-170.80000113.3S111 R112 F117 K118S111-C115 WeakPolarHBondContact O-CB 3.47Å; S111-C115 PolarHBondContact O-N 3.1Å; R112-C115 PolarHBondContact O-N 2.8Å; C115-F117 PolarHBondContact O-N 3.27Å; C115-F117 VanDerWaalsContact O-N 3.1Å; C115-K118 PolarHBondContact O-N 3.47Å
116P83.5Confident89.9Confident93 Ų9352.7 Ų52.760%0.60430%0.295SS*.G310 helixtrans-63.9-16.6178.7-22.135000114.8T114T114-P116 VanDerWaalsContact C-N 3.29Å
117F76.9Confident90Very high23 Ų2352.7 Ų52.710%0.10130%0.295CS..G310 helixtrans-95.1-17.8179.4-44.7-68.9000113.1K49 V51 V83 A113 T114 C115 G119 S120K49-F117 HydrophobicContact CB-CD1 4.4Å; K49-F117 HydrophobicContact CB-CE1 3.53Å; K49-F117 HydrophobicContact CB-CZ 4.19Å; K49-F117 HydrophobicContact CD-CD1 4.14Å; K49-F117 HydrophobicContact CD-CE1 3.4Å; K49-F117 HydrophobicContact CD-CZ 4.33Å; K49-F117 HydrophobicContact CG-CE1 4.08Å; V51-F117 HydrophobicContact CG2-CD2 3.96Å; V51-F117 HydrophobicContact CG2-CE2 3.16Å; V51-F117 HydrophobicContact CG2-CZ 3.7Å; V83-F117 HydrophobicContact CG2-CZ 4.32Å; A113-F117 WeakPolarHBondContact O-CE2 3.24Å; T114-F117 VanDerWaalsContact CA-CD2 3.44Å; T114-F117 HydrophobicContact CG2-CD2 4.33Å; T114-F117 VanDerWaalsContact O-CD2 3.3Å; T114-F117 WeakPolarHBondContact O-CD2 3.47Å; T114-F117 PolarHBondContact O-N 2.86Å; C115-F117 PolarHBondContact O-N 3.27Å; C115-F117 VanDerWaalsContact O-N 3.1Å; F117-G119 PolarHBondContact O-N 3.49Å; F117-G119 VanDerWaalsContact O-N 3.09Å; F117-S120 WeakPolarHBondContact O-CB 3.32Å; F117-S120 PolarHBondContact O-N 2.74Å
118K76.3Confident90.2Very high124 Ų12451.8 Ų51.854%0.53929%0.289SS..THydrogen-bonded Turntrans-64.8115.7-177.7-73.6-172.3176.8179.80109.5T114 C115 S120T114-K118 PolarHBondContact O-N 3.02Å; C115-K118 PolarHBondContact O-N 3.47Å; K118-S120 VanDerWaalsContact C-N 3.31Å
119G72.3Confident90.3Very high84 Ų8447.3 Ų47.387%0.86627%0.268SS*.THydrogen-bonded Turntrans82.41.6-177.600000114.9F117F117-G119 PolarHBondContact O-N 3.49Å; F117-G119 VanDerWaalsContact O-N 3.09Å
120S80.1Confident90.3Very high36 Ų3645.2 Ų45.225%0.25226%0.259SS..  trans-73.1141.8172-176.20000110.9F117 K118 E122 N158F117-S120 WeakPolarHBondContact O-CB 3.32Å; F117-S120 PolarHBondContact O-N 2.74Å; K118-S120 VanDerWaalsContact C-N 3.31Å; S120-E122 VanDerWaalsContact OG-CB 3.28Å; S120-E122 WeakPolarHBondContact OG-CB 3.3Å; S120-E122 WeakPolarHBondContact OG-CG 3.34Å; S120-E122 PolarHBondContact OG-N 3.37Å; S120-N158 PolarHBondContact O-ND2 3.18Å
121N84.6Confident90.4Very high144 Ų14445.2 Ų45.277%0.7726%0.259SS*.  trans-81.4-1.5167.1-95.6-1.5000112.9N158N121-N158 PolarHBondContact OD1-ND2 3.05Å
122E90Very high90.4Very high97 Ų9747 Ų4745%0.45326%0.26SS..SBendtrans-70.3133.4175.5-65.7-179.1164.600110.8K49 S120K49-E122 WeakPolarHBondContact CE-OE2 3.3Å; K49-E122 IonicContact NZ-OE1 3.83Å; K49-E122 IonicContact NZ-OE2 2.73Å; K49-E122 PolarHBondContact NZ-OE2 3.45Å; S120-E122 VanDerWaalsContact OG-CB 3.28Å; S120-E122 WeakPolarHBondContact OG-CB 3.3Å; S120-E122 WeakPolarHBondContact OG-CG 3.34Å; S120-E122 PolarHBondContact OG-N 3.37Å
123Q94.3Very high90.3Very high58 Ų5842.6 Ų42.627%0.27125%0.249SC..  trans-69.4137.9172.3-64.5173-51.800110.5L16 R48 N158L16-Q123 HydrophobicContact CD1-CB 4.26Å; R48-Q123 WeakPolarHBondContact CB-O 3.36Å; R48-Q123 WeakPolarHBondContact CD-O 3.49Å; R48-Q123 HydrophobicContact CG-CB 4.11Å; Q123-N158 WeakPolarHBondContact CA-O 3.2Å
124S95.2Very high90.3Very high7 Ų741.9 Ų41.95%0.04924%0.243CC..EExtended strand (participates in β ladder)trans-146.5165-178.664.90000113F43 K49 N158 S159 C160F43-S124 WeakPolarHBondContact CE1-O 3.27Å; K49-S124 VanDerWaalsContact O-CA 3.28Å; K49-S124 WeakPolarHBondContact O-CA 3.41Å; K49-S124 WeakPolarHBondContact O-CB 3.33Å; S124-N158 PolarHBondContact N-O 3.26Å; S124-S159 CarbonylContact O-C 3.58Å; S124-S159 VanDerWaalsContact O-CA 3.22Å; S124-S159 WeakPolarHBondContact O-CA 3.3Å; S124-S159 PolarHBondContact OG-OG 3.4Å; S124-C160 PolarHBondContact O-N 2.85Å
125L97.1Very high90.4Very high2 Ų244.6 Ų44.61%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-122132176.8172.567.2000109.6F39 I40 F43 K49 V50 V51 V127 C160 V162F39-L125 HydrophobicContact CB-CD1 4.39Å; F39-L125 HydrophobicContact CB-CD2 3.94Å; F39-L125 WeakPolarHBondContact O-CD2 3.28Å; I40-L125 HydrophobicContact CG1-CD2 4.34Å; F43-L125 HydrophobicContact CB-CB 4.05Å; F43-L125 HydrophobicContact CB-CD2 4.14Å; F43-L125 HydrophobicContact CD1-CB 3.6Å; F43-L125 HydrophobicContact CD2-CB 3.81Å; F43-L125 HydrophobicContact CD2-CD1 4.31Å; F43-L125 HydrophobicContact CD2-CD2 3.85Å; F43-L125 HydrophobicContact CD2-CG 4.21Å; F43-L125 HydrophobicContact CE1-CB 3.94Å; F43-L125 HydrophobicContact CE2-CB 4.11Å; F43-L125 HydrophobicContact CE2-CD1 4.18Å; F43-L125 HydrophobicContact CG-CB 3.53Å; F43-L125 HydrophobicContact CG-CD2 4.08Å; F43-L125 HydrophobicContact CG-CG 4.35Å; F43-L125 HydrophobicContact CZ-CB 4.19Å; K49-L125 PolarHBondContact O-N 3.16Å; V50-L125 CarbonylContact C-O 3.49Å; V50-L125 WeakPolarHBondContact CA-O 3.33Å; V50-L125 HydrophobicContact CG1-CB 4.37Å; V50-L125 HydrophobicContact CG1-CD2 3.96Å; V50-L125 HydrophobicContact CG1-CG 4.26Å; V50-L125 HydrophobicContact CG2-CB 4.26Å; V50-L125 HydrophobicContact CG2-CD2 4.26Å; V51-L125 PolarHBondContact N-O 2.85Å; L125-V127 HydrophobicContact CD1-CG2 4.07Å; L125-V127 HydrophobicContact CD2-CG2 3.6Å; L125-V127 HydrophobicContact CG-CG2 3.63Å; L125-C160 WeakPolarHBondContact CA-O 3.5Å; L125-C160 HydrophobicContact CD1-CB 3.99Å; L125-V162 HydrophobicContact CD1-CB 4.43Å; L125-V162 HydrophobicContact CD1-CG2 3.69Å
126L97.7Very high90.5Very high5 Ų545.4 Ų45.43%0.02625%0.251CS..EExtended strand (participates in β ladder)trans-107.4124.3163.6175.257.9000108.7V51 V53 L110 V128 C151 V155 C160 L161 V162V51-L126 HydrophobicContact CB-CD1 3.76Å; V51-L126 HydrophobicContact CG1-CD1 3.69Å; V51-L126 WeakPolarHBondContact O-CA 3.08Å; V53-L126 HydrophobicContact CG2-CD1 3.88Å; L110-L126 HydrophobicContact CD1-CD1 3.68Å; L110-L126 HydrophobicContact CD1-CD2 4.18Å; L126-V128 HydrophobicContact CG-CG2 4.5Å; L126-C151 HydrophobicContact CD2-CB 3.96Å; L126-V155 HydrophobicContact CB-CG2 3.65Å; L126-V155 HydrophobicContact CD2-CG2 3.75Å; L126-V155 HydrophobicContact CG-CG2 4.29Å; L126-C160 PolarHBondContact N-O 2.72Å; L126-L161 HydrophobicContact CB-CD1 4.05Å; L126-L161 HydrophobicContact CD2-CD1 3.87Å; L126-L161 HydrophobicContact CG-CD1 3.76Å; L126-L161 WeakPolarHBondContact O-CA 3.5Å; L126-V162 PolarHBondContact O-N 3.47Å
127V98.4Very high90.7Very high0 Ų042.9 Ų42.90%023%0.232CC..EExtended strand (participates in β ladder)trans-113.4128.1175.8-177.30000109.8L36 I40 V50 V51 L52 V53 L125 V162L36-V127 HydrophobicContact CD2-CG1 3.85Å; I40-V127 HydrophobicContact CD1-CG2 4.44Å; I40-V127 HydrophobicContact CG1-CG2 3.89Å; V50-V127 HydrophobicContact CG1-CG2 4.41Å; V51-V127 PolarHBondContact O-N 2.86Å; L52-V127 HydrophobicContact CD1-CB 3.75Å; L52-V127 HydrophobicContact CD1-CG1 3.66Å; V53-V127 WeakPolarHBondContact CB-O 3.43Å; V53-V127 WeakPolarHBondContact CG2-O 3.47Å; V53-V127 PolarHBondContact N-O 2.83Å; L125-V127 HydrophobicContact CD1-CG2 4.07Å; L125-V127 HydrophobicContact CD2-CG2 3.6Å; L125-V127 HydrophobicContact CG-CG2 3.63Å; V127-V162 CarbonylContact C-O 3.39Å; V127-V162 WeakPolarHBondContact CA-O 3.39Å
128V98.2Very high91Very high0 Ų048.6 Ų48.60%026%0.263CS..EExtended strand (participates in β ladder)trans-117.5107.7170.8-176.10000108.2V53 I55 L126 L131 F147 C151 L161 V162 M163 K164V53-V128 HydrophobicContact CB-CG2 4.48Å; V53-V128 HydrophobicContact CG2-CG2 4.3Å; I55-V128 HydrophobicContact CD1-CG1 3.59Å; L126-V128 HydrophobicContact CG-CG2 4.5Å; V128-L131 HydrophobicContact CG1-CD2 3.75Å; V128-L131 HydrophobicContact CG1-CG 4.29Å; V128-F147 HydrophobicContact CG1-CE1 4Å; V128-F147 HydrophobicContact CG1-CZ 4.3Å; V128-C151 HydrophobicContact CG2-CB 4.46Å; V128-L161 HydrophobicContact CG2-CD1 4.38Å; V128-V162 PolarHBondContact N-O 2.88Å; V128-M163 HydrophobicContact CB-CG 4.15Å; V128-M163 HydrophobicContact CG2-CG 4.36Å; V128-M163 CarbonylContact O-C 3.57Å; V128-M163 WeakPolarHBondContact O-CA 3.36Å; V128-K164 PolarHBondContact O-N 2.95Å
129D97.5Very high91.5Very high0 Ų043.4 Ų43.40%024%0.243CC..  trans-78.1-23.8-163.577.9-16.5000116L36 V53 I55 Q56 N57 Y62 K164L36-D129 HydrophobicContact CD1-CB 3.87Å; V53-D129 PolarHBondContact O-N 3.41Å; I55-D129 VanDerWaalsContact CA-OD1 3.3Å; I55-D129 WeakPolarHBondContact CA-OD1 3.25Å; I55-D129 WeakPolarHBondContact CB-OD1 3.31Å; I55-D129 VanDerWaalsContact N-CG 3.35Å; I55-D129 PolarHBondContact N-OD1 3.22Å; I55-D129 PolarHBondContact N-OD2 3.21Å; Q56-D129 PolarHBondContact N-OD1 3.31Å; Q56-D129 VanDerWaalsContact N-OD1 3.09Å; Q56-D129 PolarHBondContact N-OD2 2.94Å; N57-D129 PolarHBondContact N-OD2 3.29Å; Y62-D129 WeakPolarHBondContact OH-CB 3.35Å; Y62-D129 PolarHBondContact OH-OD2 3.34Å; Y62-D129 VanDerWaalsContact OH-OD2 3.13Å; D129-K164 VanDerWaalsContact O-CB 3.25Å; D129-K164 WeakPolarHBondContact O-CB 3.34Å; D129-K164 VanDerWaalsContact O-CD 3.31Å; D129-K164 WeakPolarHBondContact O-CD 3.44Å; D129-K164 WeakPolarHBondContact O-CG 3.49Å
130C95.9Very high92.4Very high2 Ų242.4 Ų42.41%0.01422%0.221CC..  trans-161.3102.8175.9-166.10000113.6I55 Q56 Y132 T133 K164I55-C130 WeakPolarHBondContact CD1-O 3.38Å; Q56-C130 HydrophobicContact CB-CB 3.46Å; Q56-C130 VanDerWaalsContact CB-CB 3.46Å; Q56-C130 HydrophobicContact CG-CB 4.44Å; Q56-C130 PolarHBondContact OE1-SG 3.44Å; C130-Y132 VanDerWaalsContact C-N 3.31Å; C130-T133 PolarHBondContact SG-N 3.46Å; C130-T133 VanDerWaalsContact SG-N 3.44Å; C130-T133 PolarHBondContact SG-OG1 2.97Å; C130-T133 VanDerWaalsContact SG-OG1 3.37Å; C130-K164 CarbonylContact C-O 3.58Å; C130-K164 WeakPolarHBondContact CA-O 3.22Å
131L96.1Very high92.8Very high0 Ų045.1 Ų45.10%024%0.237CC..Hα-helixtrans-72-26.9169.9-64.8176.6000112.4V128 T133 L134 H135 F147 I148 M163 K164 L173 C177V128-L131 HydrophobicContact CG1-CD2 3.75Å; V128-L131 HydrophobicContact CG1-CG 4.29Å; L131-T133 VanDerWaalsContact C-N 3.33Å; L131-T133 PolarHBondContact O-N 3.46Å; L131-L134 HydrophobicContact CD2-CD1 4.46Å; L131-L134 PolarHBondContact O-N 3.05Å; L131-H135 PolarHBondContact O-N 2.88Å; L131-F147 HydrophobicContact CD2-CD1 4.26Å; L131-F147 HydrophobicContact CD2-CE1 3.98Å; L131-I148 HydrophobicContact CD1-CD1 4.09Å; L131-I148 HydrophobicContact CD1-CG1 4.15Å; L131-I148 HydrophobicContact CD2-CD1 4.37Å; L131-I148 HydrophobicContact CD2-CG1 3.89Å; L131-M163 HydrophobicContact CD1-CB 4.09Å; L131-M163 HydrophobicContact CD1-CG 4.5Å; L131-M163 HydrophobicContact CD1-SD 4.09Å; L131-K164 PolarHBondContact N-O 2.84Å; L131-L173 HydrophobicContact CB-CD2 4.38Å; L131-C177 VanDerWaalsContact CD1-SG 3.58Å
132Y94.3Very high93.2Very high76 Ų7641.9 Ų41.930%0.29823%0.226SC..Hα-helixtrans-62-40.7179.7-177.8-97.9000111.7C130 H135 H136 C166 C169C130-Y132 VanDerWaalsContact C-N 3.31Å; Y132-H135 WeakPolarHBondContact O-CB 3.44Å; Y132-H135 PolarHBondContact O-N 3.06Å; Y132-H136 AromaticContact CD1-CE1 3.97Å; Y132-H136 AromaticContact CD1-ND1 3.87Å; Y132-H136 AromaticContact CD2-CE1 3.81Å; Y132-H136 AromaticContact CE1-CE1 3.45Å; Y132-H136 VanDerWaalsContact CE1-CE1 3.45Å; Y132-H136 WeakPolarHBondContact CE1-CE1 2.91Å; Y132-H136 AromaticContact CE1-ND1 3.71Å; Y132-H136 AromaticContact CE2-CE1 3.31Å; Y132-H136 WeakPolarHBondContact CE2-CE1 3.16Å; Y132-H136 AromaticContact CZ-CE1 3.08Å; Y132-H136 AromaticContact CZ-ND1 3.82Å; Y132-H136 AromaticContact CZ-NE2 3.78Å; Y132-H136 PolarHBondContact O-N 3.26Å; Y132-H136 PolarHBondContact O-ND1 2.99Å; Y132-H136 PolarHBondContact OH-CE1 2.79Å; Y132-C166 HydrophobicContact CD1-CB 4.27Å; Y132-C166 HydrophobicContact CD2-CB 3.48Å; Y132-C166 VanDerWaalsContact CD2-CB 3.48Å; Y132-C166 HydrophobicContact CE2-CB 3.86Å; Y132-C166 HydrophobicContact CG-CB 3.7Å; Y132-C169 HydrophobicContact CD2-CB 3.79Å; Y132-C169 HydrophobicContact CE2-CB 4.29Å
133T93.5Very high93.3Very high45 Ų4538.2 Ų38.228%0.27621%0.211SC..Hα-helixtrans-62.5-43.3174.7-58.40000111.8I55 C130 L131 H135 H136I55-T133 HydrophobicContact CG2-CG2 3.92Å; C130-T133 PolarHBondContact SG-N 3.46Å; C130-T133 VanDerWaalsContact SG-N 3.44Å; C130-T133 PolarHBondContact SG-OG1 2.97Å; C130-T133 VanDerWaalsContact SG-OG1 3.37Å; L131-T133 VanDerWaalsContact C-N 3.33Å; L131-T133 PolarHBondContact O-N 3.46Å; T133-H135 VanDerWaalsContact C-N 3.31Å; T133-H135 PolarHBondContact O-N 2.98Å; T133-H136 PolarHBondContact O-N 3.03Å
134L94.1Very high93.3Very high0 Ų035.8 Ų35.80%020%0.2CC..Hα-helixtrans-64.7-36.5177.1-63.3-174.5000112.3I55 F87 L103 L106 L131 H136 L137 L144 F147I55-L134 HydrophobicContact CD1-CD1 3.62Å; I55-L134 HydrophobicContact CD1-CD2 4.29Å; I55-L134 HydrophobicContact CD1-CG 3.86Å; I55-L134 HydrophobicContact CG1-CD1 4.47Å; I55-L134 HydrophobicContact CG1-CD2 4.33Å; I55-L134 HydrophobicContact CG1-CG 4.42Å; I55-L134 HydrophobicContact CG2-CD2 3.5Å; I55-L134 VanDerWaalsContact CG2-CD2 3.5Å; I55-L134 HydrophobicContact CG2-CG 3.83Å; F87-L134 HydrophobicContact CD2-CD2 4.25Å; F87-L134 HydrophobicContact CE2-CD2 3.93Å; F87-L134 HydrophobicContact CZ-CD2 4.14Å; L103-L134 HydrophobicContact CD2-CB 4.2Å; L103-L134 HydrophobicContact CD2-CD1 3.97Å; L103-L134 HydrophobicContact CD2-CD2 3.95Å; L103-L134 HydrophobicContact CD2-CG 4.26Å; L106-L134 HydrophobicContact CD2-CD1 3.98Å; L106-L134 HydrophobicContact CD2-CD2 3.96Å; L131-L134 HydrophobicContact CD2-CD1 4.46Å; L131-L134 PolarHBondContact O-N 3.05Å; L134-H136 PolarHBondContact O-N 3.19Å; L134-L137 HydrophobicContact CB-CD1 4.41Å; L134-L137 HydrophobicContact CD2-CD1 3.79Å; L134-L137 VanDerWaalsContact O-CB 3.31Å; L134-L137 WeakPolarHBondContact O-CB 3.37Å; L134-L137 WeakPolarHBondContact O-CG 3.43Å; L134-L137 PolarHBondContact O-N 2.98Å; L134-L137 VanDerWaalsContact O-N 3.14Å; L134-L144 HydrophobicContact CB-CD1 3.85Å; L134-L144 HydrophobicContact CD1-CD1 4.22Å; L134-F147 HydrophobicContact CD1-CD1 3.74Å; L134-F147 HydrophobicContact CD1-CE1 3.49Å; L134-F147 VanDerWaalsContact CD1-CE1 3.49Å; L134-F147 HydrophobicContact CD1-CG 4.49Å; L134-F147 HydrophobicContact CD1-CZ 4.08Å
135H92.9Very high93.3Very high59 Ų5937 Ų3727%0.27321%0.208SC..Hα-helixtrans-61-33.1176.8-175.448.1000112.8L131 Y132 T133 L137 L144 S170 L173L131-H135 PolarHBondContact O-N 2.88Å; Y132-H135 WeakPolarHBondContact O-CB 3.44Å; Y132-H135 PolarHBondContact O-N 3.06Å; T133-H135 VanDerWaalsContact C-N 3.31Å; T133-H135 PolarHBondContact O-N 2.98Å; H135-L137 VanDerWaalsContact C-N 3.26Å; H135-L137 PolarHBondContact O-N 2.97Å; H135-L144 HydrophobicContact CB-CD2 3.89Å; H135-S170 PolarHBondContact CE1-OG 2.65Å; H135-S170 VanDerWaalsContact NE2-CB 3.26Å; H135-S170 WeakPolarHBondContact NE2-CB 3.37Å; H135-S170 PolarHBondContact NE2-OG 3.05Å; H135-L173 HydrophobicContact CB-CD2 3.87Å
136H91.3Very high93.2Very high99 Ų9940.8 Ų40.846%0.45823%0.231SC..THydrogen-bonded Turntrans-79.9-0.4178.7-74.178.1000114.4Y132 T133 L134 N138Y132-H136 AromaticContact CD1-CE1 3.97Å; Y132-H136 AromaticContact CD1-ND1 3.87Å; Y132-H136 AromaticContact CD2-CE1 3.81Å; Y132-H136 AromaticContact CE1-CE1 3.45Å; Y132-H136 VanDerWaalsContact CE1-CE1 3.45Å; Y132-H136 WeakPolarHBondContact CE1-CE1 2.91Å; Y132-H136 AromaticContact CE1-ND1 3.71Å; Y132-H136 AromaticContact CE2-CE1 3.31Å; Y132-H136 WeakPolarHBondContact CE2-CE1 3.16Å; Y132-H136 AromaticContact CZ-CE1 3.08Å; Y132-H136 AromaticContact CZ-ND1 3.82Å; Y132-H136 AromaticContact CZ-NE2 3.78Å; Y132-H136 PolarHBondContact O-N 3.26Å; Y132-H136 PolarHBondContact O-ND1 2.99Å; Y132-H136 PolarHBondContact OH-CE1 2.79Å; T133-H136 PolarHBondContact O-N 3.03Å; L134-H136 PolarHBondContact O-N 3.19Å; H136-N138 PolarHBondContact O-N 3.27Å
137L89Confident93.1Very high40 Ų4040.5 Ų40.521%0.20923%0.23CC..THydrogen-bonded Turntrans-70.5-5.7172.9-62.2173.8000113.1F87 P99 L102 L103 L134 H135 S139F87-L137 HydrophobicContact CE1-CD2 4.45Å; F87-L137 HydrophobicContact CE2-CD1 4.21Å; F87-L137 HydrophobicContact CZ-CD1 3.74Å; F87-L137 HydrophobicContact CZ-CD2 3.98Å; F87-L137 HydrophobicContact CZ-CG 4.47Å; P99-L137 VanDerWaalsContact CB-O 3.25Å; P99-L137 WeakPolarHBondContact CB-O 3.3Å; P99-L137 WeakPolarHBondContact CG-O 3.48Å; L102-L137 HydrophobicContact CD2-CD1 4.19Å; L102-L137 HydrophobicContact CD2-CD2 4.28Å; L103-L137 HydrophobicContact CD2-CD1 4.11Å; L103-L137 HydrophobicContact CG-CD1 4.41Å; L134-L137 HydrophobicContact CB-CD1 4.41Å; L134-L137 HydrophobicContact CD2-CD1 3.79Å; L134-L137 VanDerWaalsContact O-CB 3.31Å; L134-L137 WeakPolarHBondContact O-CB 3.37Å; L134-L137 WeakPolarHBondContact O-CG 3.43Å; L134-L137 PolarHBondContact O-N 2.98Å; L134-L137 VanDerWaalsContact O-N 3.14Å; H135-L137 VanDerWaalsContact C-N 3.26Å; H135-L137 PolarHBondContact O-N 2.97Å; L137-S139 PolarHBondContact O-N 2.95Å
138N82.9Confident93Very high142 Ų14240.5 Ų40.576%0.75923%0.23SC*.  trans57.428.6-175-61.6-39.6000113.6H136H136-N138 PolarHBondContact O-N 3.27Å
139S87.2Confident92.8Very high16 Ų1643.8 Ų43.811%0.11225%0.247CC..  trans-71.8153.9169.662.30000111.1L103 L137L103-S139 WeakPolarHBondContact CD1-OG 3.34Å; L137-S139 PolarHBondContact O-N 2.95Å
140P89.6Confident92.6Very high62 Ų6245.1 Ų45.140%0.40326%0.256SS..  trans-51.9137.2170.2-24.233.6000111.2A100 S142 S143A100-P140 HydrophobicContact CB-CG 4.47Å; P140-S142 PolarHBondContact O-N 3.13Å; P140-S143 WeakPolarHBondContact O-CB 3.16Å; P140-S143 PolarHBondContact O-N 3.36Å
141P89.5Confident92.6Very high93 Ų9345.1 Ų45.160%0.60426%0.255SS*.Hα-helixtrans-53.5-33.4-179.1-29.135.2000113.8S143 L144 C145P141-S143 VanDerWaalsContact C-N 3.26Å; P141-S143 PolarHBondContact O-N 3.06Å; P141-L144 PolarHBondContact O-N 3.33Å; P141-C145 PolarHBondContact O-N 3.31Å; P141-C145 PolarHBondContact O-SG 3.18Å
142S92Very high92.4Very high76 Ų7646.7 Ų46.753%0.53127%0.265SS..Hα-helixtrans-58.2-34.8174.852.60000113.3P140 C145 T146P140-S142 PolarHBondContact O-N 3.13Å; S142-C145 WeakPolarHBondContact O-CB 3.43Å; S142-C145 PolarHBondContact O-N 2.97Å; S142-T146 WeakPolarHBondContact O-CB 3.45Å; S142-T146 PolarHBondContact O-N 3.3Å; S142-T146 PolarHBondContact O-OG1 3.42Å
143S93.5Very high92.1Very high20 Ų2050.1 Ų50.114%0.1428%0.283CS..Hα-helixtrans-68.3-44.9-180-56.60000110.9P140 P141 T146 F147P140-S143 WeakPolarHBondContact O-CB 3.16Å; P140-S143 PolarHBondContact O-N 3.36Å; P141-S143 VanDerWaalsContact C-N 3.26Å; P141-S143 PolarHBondContact O-N 3.06Å; S143-T146 PolarHBondContact O-N 3.38Å; S143-F147 PolarHBondContact O-N 3.05Å
144L94.2Very high91.6Very high7 Ų748.6 Ų48.64%0.03727%0.274CS..Hα-helixtrans-66.7-40175.9-176.958.1000111.5L103 L134 H135 P141 T146 F147 I148 L173L103-L144 HydrophobicContact CD1-CB 4.29Å; L134-L144 HydrophobicContact CB-CD1 3.85Å; L134-L144 HydrophobicContact CD1-CD1 4.22Å; H135-L144 HydrophobicContact CB-CD2 3.89Å; P141-L144 PolarHBondContact O-N 3.33Å; L144-T146 VanDerWaalsContact C-N 3.33Å; L144-T146 PolarHBondContact O-N 2.91Å; L144-F147 HydrophobicContact CD1-CD1 4.38Å; L144-F147 PolarHBondContact O-N 3.23Å; L144-I148 HydrophobicContact CD1-CD1 4.24Å; L144-I148 HydrophobicContact CD1-CG1 4.34Å; L144-I148 HydrophobicContact CG-CD1 3.97Å; L144-I148 VanDerWaalsContact O-CG1 3.31Å; L144-I148 WeakPolarHBondContact O-CG1 3.33Å; L144-I148 PolarHBondContact O-N 3.22Å; L144-L173 HydrophobicContact CD2-CD1 3.79Å; L144-L173 HydrophobicContact CD2-CD2 4.49Å; L144-L173 HydrophobicContact CG-CD1 4.39Å
145C94Very high90.8Very high33 Ų3349.6 Ų49.622%0.22328%0.28CS..Hα-helixtrans-56.1-47.4171.8-68.90000111.6P141 S142 F147 I148 L149 I176P141-C145 PolarHBondContact O-N 3.31Å; P141-C145 PolarHBondContact O-SG 3.18Å; S142-C145 WeakPolarHBondContact O-CB 3.43Å; S142-C145 PolarHBondContact O-N 2.97Å; C145-F147 VanDerWaalsContact C-N 3.34Å; C145-F147 PolarHBondContact O-N 3.09Å; C145-I148 PolarHBondContact O-N 2.85Å; C145-L149 WeakPolarHBondContact O-CB 3.45Å; C145-L149 VanDerWaalsContact O-CG 3.24Å; C145-L149 WeakPolarHBondContact O-CG 3.34Å; C145-L149 PolarHBondContact O-N 3.05Å; C145-I176 WeakPolarHBondContact SG-CD1 2.9Å
146T94.7Very high90.2Very high81 Ų8148.3 Ų48.350%0.49728%0.283SS..Hα-helixtrans-61-42.4178.7-63.10000111.6S142 S143 L144 T150S142-T146 WeakPolarHBondContact O-CB 3.45Å; S142-T146 PolarHBondContact O-N 3.3Å; S142-T146 PolarHBondContact O-OG1 3.42Å; S143-T146 PolarHBondContact O-N 3.38Å; L144-T146 VanDerWaalsContact C-N 3.33Å; L144-T146 PolarHBondContact O-N 2.91Å; T146-T150 WeakPolarHBondContact O-CB 3.37Å; T146-T150 PolarHBondContact O-N 2.94Å; T146-T150 PolarHBondContact O-OG1 3.06Å
147F96.2Very high90Very high0 Ų048.7 Ų48.70%029%0.294CS..Hα-helixtrans-60.5-50.1174.7174.6-100.9000112V53 L106 T107 L110 V128 L131 L134 S143 L144 C145 L149 T150 C151V53-F147 HydrophobicContact CG1-CZ 4.45Å; L106-F147 HydrophobicContact CD2-CD2 4.37Å; L106-F147 HydrophobicContact CD2-CE2 3.77Å; L106-F147 HydrophobicContact CD2-CZ 3.95Å; L106-F147 HydrophobicContact CG-CD2 4.44Å; L106-F147 HydrophobicContact CG-CE2 3.8Å; L106-F147 HydrophobicContact CG-CZ 4.38Å; T107-F147 WeakPolarHBondContact OG1-CD2 3.29Å; L110-F147 HydrophobicContact CD2-CE2 4.07Å; V128-F147 HydrophobicContact CG1-CE1 4Å; V128-F147 HydrophobicContact CG1-CZ 4.3Å; L131-F147 HydrophobicContact CD2-CD1 4.26Å; L131-F147 HydrophobicContact CD2-CE1 3.98Å; L134-F147 HydrophobicContact CD1-CD1 3.74Å; L134-F147 HydrophobicContact CD1-CE1 3.49Å; L134-F147 VanDerWaalsContact CD1-CE1 3.49Å; L134-F147 HydrophobicContact CD1-CG 4.49Å; L134-F147 HydrophobicContact CD1-CZ 4.08Å; S143-F147 PolarHBondContact O-N 3.05Å; L144-F147 HydrophobicContact CD1-CD1 4.38Å; L144-F147 PolarHBondContact O-N 3.23Å; C145-F147 VanDerWaalsContact C-N 3.34Å; C145-F147 PolarHBondContact O-N 3.09Å; F147-L149 PolarHBondContact O-N 3.47Å; F147-T150 WeakPolarHBondContact O-CB 3.29Å; F147-T150 PolarHBondContact O-N 3.36Å; F147-T150 VanDerWaalsContact O-N 3.16Å; F147-C151 PolarHBondContact O-N 2.79Å; F147-C151 PolarHBondContact O-SG 3.04Å
148I95.7Very high90.1Very high0 Ų049 Ų490%030%0.296CS..Hα-helixtrans-62.1-45.6179.8-64.6166.6000110.7L131 L144 C145 T150 C151 V152 M163 L173 I176 L180L131-I148 HydrophobicContact CD1-CD1 4.09Å; L131-I148 HydrophobicContact CD1-CG1 4.15Å; L131-I148 HydrophobicContact CD2-CD1 4.37Å; L131-I148 HydrophobicContact CD2-CG1 3.89Å; L144-I148 HydrophobicContact CD1-CD1 4.24Å; L144-I148 HydrophobicContact CD1-CG1 4.34Å; L144-I148 HydrophobicContact CG-CD1 3.97Å; L144-I148 VanDerWaalsContact O-CG1 3.31Å; L144-I148 WeakPolarHBondContact O-CG1 3.33Å; L144-I148 PolarHBondContact O-N 3.22Å; C145-I148 PolarHBondContact O-N 2.85Å; I148-T150 VanDerWaalsContact C-N 3.28Å; I148-T150 PolarHBondContact O-N 3.4Å; I148-C151 WeakPolarHBondContact O-CB 3.31Å; I148-C151 PolarHBondContact O-N 2.85Å; I148-C151 VanDerWaalsContact O-N 3.15Å; I148-V152 WeakPolarHBondContact O-CG2 3.32Å; I148-V152 PolarHBondContact O-N 2.75Å; I148-M163 HydrophobicContact CG2-SD 4.08Å; I148-L173 HydrophobicContact CD1-CD1 3.67Å; I148-I176 HydrophobicContact CD1-CG2 4.43Å; I148-L180 HydrophobicContact CG2-CD1 3.54Å
149L94.6Very high90.6Very high68 Ų6842.7 Ų42.736%0.35626%0.263SS..Hα-helixtrans-62.5-37.8176.6-71.6172.5000111.2C145 F147 C151 V152 H153 L180C145-L149 WeakPolarHBondContact O-CB 3.45Å; C145-L149 VanDerWaalsContact O-CG 3.24Å; C145-L149 WeakPolarHBondContact O-CG 3.34Å; C145-L149 PolarHBondContact O-N 3.05Å; F147-L149 PolarHBondContact O-N 3.47Å; L149-C151 VanDerWaalsContact C-N 3.33Å; L149-C151 PolarHBondContact O-N 2.67Å; L149-V152 PolarHBondContact O-N 2.84Å; L149-H153 PolarHBondContact O-N 3.14Å; L149-H153 PolarHBondContact O-ND1 2.77Å; L149-L180 HydrophobicContact CD2-CD1 4.08Å; L149-L180 HydrophobicContact CD2-CD2 4.11Å
150T94.4Very high91Very high29 Ų2942 Ų4218%0.17826%0.258CS..Hα-helixtrans-62.4-42.1174.9-590000110.8T107 L110 T146 F147 I148 V152 H153 T154T107-T150 HydrophobicContact CG2-CG2 3.76Å; L110-T150 HydrophobicContact CD2-CG2 4.39Å; T146-T150 WeakPolarHBondContact O-CB 3.37Å; T146-T150 PolarHBondContact O-N 2.94Å; T146-T150 PolarHBondContact O-OG1 3.06Å; F147-T150 WeakPolarHBondContact O-CB 3.29Å; F147-T150 PolarHBondContact O-N 3.36Å; F147-T150 VanDerWaalsContact O-N 3.16Å; I148-T150 VanDerWaalsContact C-N 3.28Å; I148-T150 PolarHBondContact O-N 3.4Å; T150-V152 PolarHBondContact O-N 2.66Å; T150-H153 PolarHBondContact O-N 3.47Å; T150-T154 WeakPolarHBondContact O-CB 3.39Å; T150-T154 PolarHBondContact O-N 3.3Å; T150-T154 PolarHBondContact O-OG1 3.05Å
151C94.9Very high91.3Very high1 Ų139 Ų391%0.00724%0.239CC..Hα-helixtrans-57.3-48.8173.8-61.50000111.3L110 L126 V128 F147 I148 L149 T154 V155 L161L110-C151 HydrophobicContact CD2-CB 4.48Å; L110-C151 WeakPolarHBondContact CD2-SG 3.23Å; L126-C151 HydrophobicContact CD2-CB 3.96Å; V128-C151 HydrophobicContact CG2-CB 4.46Å; F147-C151 PolarHBondContact O-N 2.79Å; F147-C151 PolarHBondContact O-SG 3.04Å; I148-C151 WeakPolarHBondContact O-CB 3.31Å; I148-C151 PolarHBondContact O-N 2.85Å; I148-C151 VanDerWaalsContact O-N 3.15Å; L149-C151 VanDerWaalsContact C-N 3.33Å; L149-C151 PolarHBondContact O-N 2.67Å; C151-T154 PolarHBondContact O-N 2.73Å; C151-V155 WeakPolarHBondContact O-CG2 3.38Å; C151-V155 PolarHBondContact O-N 3.46Å; C151-L161 HydrophobicContact CB-CD1 4.25Å; C151-L161 HydrophobicContact CB-CD2 4.2Å
152V91.9Very high91.8Very high34 Ų3434.6 Ų34.621%0.20621%0.21CC..Hα-helixtrans-62-48.6179.3176.10000111.8I148 L149 T150 T154 V155 L161 L180I148-V152 WeakPolarHBondContact O-CG2 3.32Å; I148-V152 PolarHBondContact O-N 2.75Å; L149-V152 PolarHBondContact O-N 2.84Å; T150-V152 PolarHBondContact O-N 2.66Å; V152-T154 VanDerWaalsContact C-N 3.26Å; V152-T154 PolarHBondContact O-N 3.44Å; V152-V155 PolarHBondContact O-N 2.86Å; V152-L161 HydrophobicContact CB-CD2 4.36Å; V152-L161 HydrophobicContact CG2-CD2 3.68Å; V152-L180 HydrophobicContact CG2-CB 4.28Å; V152-L180 HydrophobicContact CG2-CD1 4.21Å
153H88.6Confident92Very high147 Ų14731 Ų3168%0.68119%0.185SC*.Hα-helixtrans-69.1-26.2-178.6-72.591.2000113.3L149 T150 V155L149-H153 PolarHBondContact O-N 3.14Å; L149-H153 PolarHBondContact O-ND1 2.77Å; T150-H153 PolarHBondContact O-N 3.47Å; H153-V155 VanDerWaalsContact C-N 3.27Å
154T83.2Confident92.2Very high14 Ų1430.2 Ų30.29%0.08618%0.179CC..Hα-helixtrans-71.9-27.8176.3-63.30000111.6T114 T150 C151 V152 G156T114-T154 HydrophobicContact CG2-CG2 3.49Å; T114-T154 VanDerWaalsContact CG2-CG2 3.49Å; T114-T154 WeakPolarHBondContact OG1-CG2 3.46Å; T150-T154 WeakPolarHBondContact O-CB 3.39Å; T150-T154 PolarHBondContact O-N 3.3Å; T150-T154 PolarHBondContact O-OG1 3.05Å; C151-T154 PolarHBondContact O-N 2.73Å; V152-T154 VanDerWaalsContact C-N 3.26Å; V152-T154 PolarHBondContact O-N 3.44Å; T154-G156 PolarHBondContact O-N 2.96Å
155V77.2Confident92.4Very high21 Ų2130 Ų3013%0.12718%0.178CC..SBendtrans-85.197.1177.7175.50000107.9L126 C151 V152 H153 S159 L161L126-V155 HydrophobicContact CB-CG2 3.65Å; L126-V155 HydrophobicContact CD2-CG2 3.75Å; L126-V155 HydrophobicContact CG-CG2 4.29Å; C151-V155 WeakPolarHBondContact O-CG2 3.38Å; C151-V155 PolarHBondContact O-N 3.46Å; V152-V155 PolarHBondContact O-N 2.86Å; H153-V155 VanDerWaalsContact C-N 3.27Å; V155-S159 VanDerWaalsContact CG1-C 3.43Å; V155-S159 VanDerWaalsContact CG1-O 3.3Å; V155-S159 WeakPolarHBondContact CG1-O 3.49Å; V155-L161 HydrophobicContact CB-CB 4.26Å; V155-L161 HydrophobicContact CG1-CB 4Å; V155-L161 HydrophobicContact CG2-CB 3.92Å; V155-L161 HydrophobicContact CG2-CD1 4.32Å
156G79Confident92.4Very high32 Ų3229.3 Ų29.333%0.3317%0.173SC..  trans-70.3-177.5173.500000112.8T154 N158 S159T154-G156 PolarHBondContact O-N 2.96Å; G156-N158 PolarHBondContact O-N 2.95Å; G156-N158 VanDerWaalsContact O-N 3.09Å; G156-S159 PolarHBondContact O-N 3.13Å
157P87Confident92.2Very high107 Ų10727.3 Ų27.370%0.69517%0.165SC*.THydrogen-bonded Turntrans-61.5-21.8-179.225.3-34.7000113.8G19 S159G19-P157 WeakPolarHBondContact CA-O 3.32Å; G19-P157 PolarHBondContact N-O 2.78Å; G19-P157 VanDerWaalsContact N-O 3.15Å; P157-S159 VanDerWaalsContact C-N 3.35Å
158N91.5Very high91.9Very high47 Ų4732.1 Ų32.125%0.25119%0.187SC..THydrogen-bonded Turntrans-90.20.1177.4-61.4-40.1000112.9C18 S120 N121 Q123 S124 G156C18-N158 WeakPolarHBondContact CB-O 3.31Å; C18-N158 PolarHBondContact SG-O 3.08Å; S120-N158 PolarHBondContact O-ND2 3.18Å; N121-N158 PolarHBondContact OD1-ND2 3.05Å; Q123-N158 WeakPolarHBondContact CA-O 3.2Å; S124-N158 PolarHBondContact N-O 3.26Å; G156-N158 PolarHBondContact O-N 2.95Å; G156-N158 VanDerWaalsContact O-N 3.09Å
159S93.2Very high91.6Very high9 Ų932.7 Ų32.76%0.06319%0.191CC..EExtended strand (participates in β ladder)trans-113.2151.5-174.9-58.30000111.1G19 S124 V155 G156 P157G19-S159 PolarHBondContact N-O 3.43Å; S124-S159 CarbonylContact O-C 3.58Å; S124-S159 VanDerWaalsContact O-CA 3.22Å; S124-S159 WeakPolarHBondContact O-CA 3.3Å; S124-S159 PolarHBondContact OG-OG 3.4Å; V155-S159 VanDerWaalsContact CG1-C 3.43Å; V155-S159 VanDerWaalsContact CG1-O 3.3Å; V155-S159 WeakPolarHBondContact CG1-O 3.49Å; G156-S159 PolarHBondContact O-N 3.13Å; P157-S159 VanDerWaalsContact C-N 3.35Å
160C95.6Very high91.4Very high0 Ų031.2 Ų31.20%019%0.187CC..EExtended strand (participates in β ladder)trans-106.5138.1169.8179.40000109F43 S124 L125 L126F43-C160 HydrophobicContact CE1-CB 4.43Å; F43-C160 HydrophobicContact CE2-CB 3.99Å; F43-C160 HydrophobicContact CZ-CB 3.52Å; S124-C160 PolarHBondContact O-N 2.85Å; L125-C160 WeakPolarHBondContact CA-O 3.5Å; L125-C160 HydrophobicContact CD1-CB 3.99Å; L126-C160 PolarHBondContact N-O 2.72Å
161L97Very high91.2Very high0 Ų034.8 Ų34.80%021%0.208CC..EExtended strand (participates in β ladder)trans-106.9130.1170.6179.852.2000109.2R20 T21 F22 L126 V128 C151 V152 V155 M163R20-L161 PolarHBondContact O-N 3.37Å; R20-L161 VanDerWaalsContact O-N 3.08Å; T21-L161 CarbonylContact C-O 3.41Å; T21-L161 WeakPolarHBondContact CA-O 3.44Å; T21-L161 HydrophobicContact CG2-CB 3.98Å; T21-L161 HydrophobicContact CG2-CD2 3.8Å; T21-L161 HydrophobicContact CG2-CG 3.92Å; F22-L161 PolarHBondContact N-O 3.03Å; L126-L161 HydrophobicContact CB-CD1 4.05Å; L126-L161 HydrophobicContact CD2-CD1 3.87Å; L126-L161 HydrophobicContact CG-CD1 3.76Å; L126-L161 WeakPolarHBondContact O-CA 3.5Å; V128-L161 HydrophobicContact CG2-CD1 4.38Å; C151-L161 HydrophobicContact CB-CD1 4.25Å; C151-L161 HydrophobicContact CB-CD2 4.2Å; V152-L161 HydrophobicContact CB-CD2 4.36Å; V152-L161 HydrophobicContact CG2-CD2 3.68Å; V155-L161 HydrophobicContact CB-CB 4.26Å; V155-L161 HydrophobicContact CG1-CB 4Å; V155-L161 HydrophobicContact CG2-CB 3.92Å; V155-L161 HydrophobicContact CG2-CD1 4.32Å; L161-M163 HydrophobicContact CD1-CG 3.85Å; L161-M163 HydrophobicContact CD1-SD 4.47Å; L161-M163 HydrophobicContact CD2-CE 4.07Å; L161-M163 HydrophobicContact CD2-CG 4.2Å; L161-M163 HydrophobicContact CD2-SD 3.87Å; L161-M163 HydrophobicContact CG-CE 4.44Å; L161-M163 HydrophobicContact CG-CG 3.88Å; L161-M163 HydrophobicContact CG-SD 4.23Å
162V98.3Very high91Very high0 Ų039.9 Ų39.90%024%0.236CC..EExtended strand (participates in β ladder)trans-125.4118.4170.6-176.60000108.5F22 I24 L36 F39 L125 L126 V127 V128F22-V162 HydrophobicContact CB-CG1 4.4Å; F22-V162 HydrophobicContact CB-CG2 4.22Å; F22-V162 HydrophobicContact CD2-CG2 4.29Å; F22-V162 WeakPolarHBondContact O-CA 3.46Å; I24-V162 HydrophobicContact CD1-CG1 3.61Å; I24-V162 HydrophobicContact CG1-CG1 4.45Å; L36-V162 HydrophobicContact CD2-CG1 3.69Å; F39-V162 HydrophobicContact CB-CG2 4.08Å; F39-V162 HydrophobicContact CD1-CG2 3.84Å; F39-V162 HydrophobicContact CD2-CB 4.49Å; F39-V162 HydrophobicContact CD2-CG1 3.94Å; F39-V162 HydrophobicContact CD2-CG2 3.78Å; F39-V162 HydrophobicContact CE1-CG2 4.17Å; F39-V162 HydrophobicContact CE2-CG1 4.25Å; F39-V162 HydrophobicContact CE2-CG2 4.13Å; F39-V162 HydrophobicContact CG-CG2 3.64Å; F39-V162 HydrophobicContact CZ-CG2 4.32Å; L125-V162 HydrophobicContact CD1-CB 4.43Å; L125-V162 HydrophobicContact CD1-CG2 3.69Å; L126-V162 PolarHBondContact O-N 3.47Å; V127-V162 CarbonylContact C-O 3.39Å; V127-V162 WeakPolarHBondContact CA-O 3.39Å; V128-V162 PolarHBondContact N-O 2.88Å
163M98Very high91Very high1 Ų138.6 Ų38.61%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-116145.1177.1-60.2178.2-65.700109.3T21 F22 L23 I24 V128 L131 I148 L161T21-M163 HydrophobicContact CG2-CE 3.65Å; F22-M163 PolarHBondContact O-N 3.1Å; L23-M163 CarbonylContact C-O 3.11Å; L23-M163 WeakPolarHBondContact CA-O 3.5Å; L23-M163 HydrophobicContact CD1-CB 4.29Å; I24-M163 PolarHBondContact N-O 2.83Å; V128-M163 HydrophobicContact CB-CG 4.15Å; V128-M163 HydrophobicContact CG2-CG 4.36Å; V128-M163 CarbonylContact O-C 3.57Å; V128-M163 WeakPolarHBondContact O-CA 3.36Å; L131-M163 HydrophobicContact CD1-CB 4.09Å; L131-M163 HydrophobicContact CD1-CG 4.5Å; L131-M163 HydrophobicContact CD1-SD 4.09Å; I148-M163 HydrophobicContact CG2-SD 4.08Å; L161-M163 HydrophobicContact CD1-CG 3.85Å; L161-M163 HydrophobicContact CD1-SD 4.47Å; L161-M163 HydrophobicContact CD2-CE 4.07Å; L161-M163 HydrophobicContact CD2-CG 4.2Å; L161-M163 HydrophobicContact CD2-SD 3.87Å; L161-M163 HydrophobicContact CG-CE 4.44Å; L161-M163 HydrophobicContact CG-CG 3.88Å; L161-M163 HydrophobicContact CG-SD 4.23Å
164K97.9Very high91.2Very high4 Ų434.2 Ų34.22%0.01721%0.208CC..EExtended strand (participates in β ladder)trans-120.5143.3172.5170.9-177-176.6-56.20111I24 D26 D31 L36 V128 D129 C130 L131I24-K164 HydrophobicContact CB-CB 4.1Å; I24-K164 HydrophobicContact CB-CG 4.33Å; I24-K164 HydrophobicContact CG2-CB 4.48Å; I24-K164 HydrophobicContact CG2-CG 4.18Å; I24-K164 CarbonylContact O-C 3.5Å; I24-K164 VanDerWaalsContact O-CA 3.32Å; I24-K164 WeakPolarHBondContact O-CA 3.45Å; D26-K164 VanDerWaalsContact CG-CE 3.45Å; D26-K164 WeakPolarHBondContact OD1-CE 2.89Å; D26-K164 IonicContact OD1-NZ 3.37Å; D26-K164 PolarHBondContact OD1-NZ 3.38Å; D26-K164 WeakPolarHBondContact OD2-CE 3.36Å; D26-K164 IonicContact OD2-NZ 3.49Å; D26-K164 PolarHBondContact OD2-NZ 3.46Å; D31-K164 WeakPolarHBondContact OD1-CE 3.34Å; D31-K164 IonicContact OD1-NZ 3.47Å; L36-K164 HydrophobicContact CD1-CB 4.36Å; L36-K164 HydrophobicContact CD1-CD 3.86Å; L36-K164 HydrophobicContact CD2-CB 4.26Å; L36-K164 HydrophobicContact CG-CD 4.38Å; V128-K164 PolarHBondContact O-N 2.95Å; D129-K164 VanDerWaalsContact O-CB 3.25Å; D129-K164 WeakPolarHBondContact O-CB 3.34Å; D129-K164 VanDerWaalsContact O-CD 3.31Å; D129-K164 WeakPolarHBondContact O-CD 3.44Å; D129-K164 WeakPolarHBondContact O-CG 3.49Å; C130-K164 CarbonylContact C-O 3.58Å; C130-K164 WeakPolarHBondContact CA-O 3.22Å; L131-K164 PolarHBondContact N-O 2.84Å
165T96.7Very high91.6Very high1 Ų136.3 Ų36.31%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-147169.6172.8-170.20000109.6L23 I24 R25 D26L23-T165 HydrophobicContact CD1-CG2 3.84Å; L23-T165 HydrophobicContact CG-CG2 4.46Å; I24-T165 PolarHBondContact O-N 3.17Å; R25-T165 WeakPolarHBondContact CA-O 3.24Å; R25-T165 HydrophobicContact CG-CG2 3.91Å; D26-T165 PolarHBondContact N-O 2.81Å
166C94.5Very high92.4Very high20 Ų2037.5 Ų37.514%0.13523%0.231CC..EExtended strand (participates in β ladder)trans-82.3145.4170.7-138.50000110.4D26 Y132 E168 C169D26-C166 CarbonylContact O-C 3.54Å; D26-C166 WeakPolarHBondContact O-CA 3.14Å; Y132-C166 HydrophobicContact CD1-CB 4.27Å; Y132-C166 HydrophobicContact CD2-CB 3.48Å; Y132-C166 VanDerWaalsContact CD2-CB 3.48Å; Y132-C166 HydrophobicContact CE2-CB 3.86Å; Y132-C166 HydrophobicContact CG-CB 3.7Å; C166-E168 PolarHBondContact O-N 2.96Å; C166-E168 PolarHBondContact SG-OE2 2.87Å; C166-C169 VanDerWaalsContact O-CB 3.27Å; C166-C169 WeakPolarHBondContact O-CB 3.36Å; C166-C169 PolarHBondContact O-N 3.32Å; C166-C169 PolarHBondContact O-SG 3.32Å
167A90.9Very high93.1Very high39 Ų3936 Ų3632%0.32222%0.216SC..THydrogen-bonded Turntrans-63.6-30.4173.700000111.5D26 C169D26-A167 WeakPolarHBondContact O-CB 3.3Å; D26-A167 PolarHBondContact O-N 2.93Å; A167-C169 PolarHBondContact O-N 3.06Å
168E89.5Confident93.4Very high101 Ų10132.8 Ų32.847%0.47219%0.192SC..THydrogen-bonded Turntrans-83.615.7177.4-55.381.2-175.600113.4C27 C166C27-E168 VanDerWaalsContact CB-OE1 3.32Å; C27-E168 WeakPolarHBondContact CB-OE1 3.45Å; C166-E168 PolarHBondContact O-N 2.96Å; C166-E168 PolarHBondContact SG-OE2 2.87Å
169C89.2Confident93.4Very high11 Ų1139.7 Ų39.77%0.07422%0.215CC..SBendtrans-68.2166.1176.973.80000112.8Y132 C166 A167 L173Y132-C169 HydrophobicContact CD2-CB 3.79Å; Y132-C169 HydrophobicContact CE2-CB 4.29Å; C166-C169 VanDerWaalsContact O-CB 3.27Å; C166-C169 WeakPolarHBondContact O-CB 3.36Å; C166-C169 PolarHBondContact O-N 3.32Å; C166-C169 PolarHBondContact O-SG 3.32Å; A167-C169 PolarHBondContact O-N 3.06Å; C169-L173 HydrophobicContact CB-CD2 4.06Å
170S90.7Very high93.3Very high38 Ų3840.6 Ų40.627%0.26622%0.219SC..  trans-61.4146.6177.966.30000111.8H135 N172 L173 E174H135-S170 PolarHBondContact CE1-OG 2.65Å; H135-S170 VanDerWaalsContact NE2-CB 3.26Å; H135-S170 WeakPolarHBondContact NE2-CB 3.37Å; H135-S170 PolarHBondContact NE2-OG 3.05Å; S170-N172 PolarHBondContact O-N 3.37Å; S170-N172 VanDerWaalsContact O-N 3.11Å; S170-L173 PolarHBondContact O-N 3.22Å; S170-E174 PolarHBondContact O-N 2.95Å
171T91Very high93.2Very high103 Ų10340.6 Ų40.663%0.63222%0.219SC*.Hα-helixtrans-54-34.6179.552.10000112.9A175T171-A175 VanDerWaalsContact O-CB 3.26Å; T171-A175 WeakPolarHBondContact O-CB 3.31Å; T171-A175 PolarHBondContact O-N 3.43Å
172N90.1Very high93Very high109 Ų10942.4 Ų42.458%0.58323%0.228SC*.Hα-helixtrans-66.4-48.2177.2-70.5-26.7000111.9S170 E174 A175 I176S170-N172 PolarHBondContact O-N 3.37Å; S170-N172 VanDerWaalsContact O-N 3.11Å; N172-E174 VanDerWaalsContact C-N 3.35Å; N172-A175 PolarHBondContact O-N 3.44Å; N172-I176 WeakPolarHBondContact O-CD1 3.25Å; N172-I176 WeakPolarHBondContact O-CG1 3.39Å; N172-I176 PolarHBondContact O-N 3.32Å
173L92Very high92.8Very high6 Ų642.4 Ų42.43%0.03123%0.229CC..Hα-helixtrans-63.8-45.3177.7-179.760.4000110.4L131 H135 L144 I148 C169 S170 A175 I176 C177L131-L173 HydrophobicContact CB-CD2 4.38Å; H135-L173 HydrophobicContact CB-CD2 3.87Å; L144-L173 HydrophobicContact CD2-CD1 3.79Å; L144-L173 HydrophobicContact CD2-CD2 4.49Å; L144-L173 HydrophobicContact CG-CD1 4.39Å; I148-L173 HydrophobicContact CD1-CD1 3.67Å; C169-L173 HydrophobicContact CB-CD2 4.06Å; S170-L173 PolarHBondContact O-N 3.22Å; L173-A175 PolarHBondContact O-N 3.44Å; L173-I176 PolarHBondContact O-N 3.14Å; L173-C177 WeakPolarHBondContact O-CB 3.2Å; L173-C177 PolarHBondContact O-N 3.23Å; L173-C177 PolarHBondContact O-SG 2.91Å
174E92.8Very high92.8Very high56 Ų5642.4 Ų42.426%0.26223%0.228SC..Hα-helixtrans-55.4-51.1177.4-170.3-173.7-174.600111.1R25 S170 N172 I176 C177 L178R25-E174 IonicContact CZ-OE1 2.77Å; R25-E174 IonicContact NH1-OE1 3.4Å; R25-E174 PolarHBondContact NH1-OE1 3.47Å; S170-E174 PolarHBondContact O-N 2.95Å; N172-E174 VanDerWaalsContact C-N 3.35Å; E174-I176 VanDerWaalsContact C-N 3.34Å; E174-I176 PolarHBondContact O-N 3.3Å; E174-C177 PolarHBondContact O-N 2.95Å; E174-L178 HydrophobicContact CG-CD1 3.82Å; E174-L178 HydrophobicContact CG-CG 4.24Å; E174-L178 WeakPolarHBondContact O-CB 3.23Å; E174-L178 VanDerWaalsContact O-CG 3.26Å; E174-L178 WeakPolarHBondContact O-CG 3.34Å; E174-L178 PolarHBondContact O-N 2.88Å
175A92.2Very high92.7Very high58 Ų5842.2 Ų42.248%0.47923%0.228SC..Hα-helixtrans-59.8-42.2-178.800000112.7T171 N172 L173 R179T171-A175 VanDerWaalsContact O-CB 3.26Å; T171-A175 WeakPolarHBondContact O-CB 3.31Å; T171-A175 PolarHBondContact O-N 3.43Å; N172-A175 PolarHBondContact O-N 3.44Å; L173-A175 PolarHBondContact O-N 3.44Å; A175-R179 VanDerWaalsContact O-CB 3.29Å; A175-R179 WeakPolarHBondContact O-CB 3.35Å; A175-R179 PolarHBondContact O-N 3.36Å
176I92.6Very high92.7Very high46 Ų4643 Ų4324%0.23623%0.232CC..Hα-helixtrans-65.3-49.5177.9-67.5157.7000110.4C145 I148 N172 L173 E174 L178 R179 L180C145-I176 WeakPolarHBondContact SG-CD1 2.9Å; I148-I176 HydrophobicContact CD1-CG2 4.43Å; N172-I176 WeakPolarHBondContact O-CD1 3.25Å; N172-I176 WeakPolarHBondContact O-CG1 3.39Å; N172-I176 PolarHBondContact O-N 3.32Å; L173-I176 PolarHBondContact O-N 3.14Å; E174-I176 VanDerWaalsContact C-N 3.34Å; E174-I176 PolarHBondContact O-N 3.3Å; I176-L178 PolarHBondContact O-N 3.4Å; I176-R179 PolarHBondContact O-N 3.12Å; I176-L180 HydrophobicContact CG2-CD1 3.72Å; I176-L180 HydrophobicContact CG2-CG 4.49Å; I176-L180 VanDerWaalsContact O-CG 3.31Å; I176-L180 WeakPolarHBondContact O-CG 3.42Å; I176-L180 PolarHBondContact O-N 2.77Å
177C94.3Very high92.8Very high0 Ų042.3 Ų42.30%023%0.227CC..Hα-helixtrans-61.8-44.9-179-69.60000111.6L23 L131 L173 E174 R179 L180 S181L23-C177 HydrophobicContact CD1-CB 3.83Å; L23-C177 HydrophobicContact CD2-CB 3.56Å; L23-C177 HydrophobicContact CG-CB 4.33Å; L131-C177 VanDerWaalsContact CD1-SG 3.58Å; L173-C177 WeakPolarHBondContact O-CB 3.2Å; L173-C177 PolarHBondContact O-N 3.23Å; L173-C177 PolarHBondContact O-SG 2.91Å; E174-C177 PolarHBondContact O-N 2.95Å; C177-R179 VanDerWaalsContact C-N 3.34Å; C177-R179 PolarHBondContact O-N 3.05Å; C177-L180 PolarHBondContact O-N 2.85Å; C177-S181 WeakPolarHBondContact O-CB 3.41Å; C177-S181 PolarHBondContact O-N 2.8Å; C177-S181 VanDerWaalsContact O-N 3.14Å; C177-S181 PolarHBondContact O-OG 3.33Å
178L92.8Very high92.9Very high39 Ų3941.7 Ų41.720%0.20422%0.222CC..Hα-helixtrans-62.4-40.1176.3-70.2176.8000111.9L23 E174 I176 L180 S181 V184L23-L178 HydrophobicContact CD2-CD2 4.11Å; E174-L178 HydrophobicContact CG-CD1 3.82Å; E174-L178 HydrophobicContact CG-CG 4.24Å; E174-L178 WeakPolarHBondContact O-CB 3.23Å; E174-L178 VanDerWaalsContact O-CG 3.26Å; E174-L178 WeakPolarHBondContact O-CG 3.34Å; E174-L178 PolarHBondContact O-N 2.88Å; I176-L178 PolarHBondContact O-N 3.4Å; L178-L180 VanDerWaalsContact C-N 3.31Å; L178-L180 PolarHBondContact O-N 2.9Å; L178-S181 PolarHBondContact O-N 2.82Å; L178-V184 HydrophobicContact CD2-CB 4.44Å; L178-V184 HydrophobicContact CD2-CG1 4.04Å; L178-V184 HydrophobicContact CD2-CG2 3.66Å
179R91.3Very high92.9Very high193 Ų19339.3 Ų39.373%0.72822%0.215SC*.Hα-helixtrans-66.7-33.2178.8-169.6170.881.2142.72112.6A175 I176 C177 R207A175-R179 VanDerWaalsContact O-CB 3.29Å; A175-R179 WeakPolarHBondContact O-CB 3.35Å; A175-R179 PolarHBondContact O-N 3.36Å; I176-R179 PolarHBondContact O-N 3.12Å; C177-R179 VanDerWaalsContact C-N 3.34Å; C177-R179 PolarHBondContact O-N 3.05Å; R179-R207 PolarHBondContact O-NH1 3.08Å
180L91.8Very high92.8Very high28 Ų2840.2 Ų40.215%0.14722%0.219CC..Hα-helixtrans-87.4-12.6-177.2-64.9173.6000113.4I148 L149 V152 I176 C177 L178I148-L180 HydrophobicContact CG2-CD1 3.54Å; L149-L180 HydrophobicContact CD2-CD1 4.08Å; L149-L180 HydrophobicContact CD2-CD2 4.11Å; V152-L180 HydrophobicContact CG2-CB 4.28Å; V152-L180 HydrophobicContact CG2-CD1 4.21Å; I176-L180 HydrophobicContact CG2-CD1 3.72Å; I176-L180 HydrophobicContact CG2-CG 4.49Å; I176-L180 VanDerWaalsContact O-CG 3.31Å; I176-L180 WeakPolarHBondContact O-CG 3.42Å; I176-L180 PolarHBondContact O-N 2.77Å; C177-L180 PolarHBondContact O-N 2.85Å; L178-L180 VanDerWaalsContact C-N 3.31Å; L178-L180 PolarHBondContact O-N 2.9Å
181S93.4Very high92.3Very high0 Ų045.4 Ų45.40%024%0.239CC..  trans-98139.4-173.9-540000112.7L23 C177 L178 R207L23-S181 VanDerWaalsContact CB-OG 3.29Å; L23-S181 WeakPolarHBondContact CB-OG 3.38Å; C177-S181 WeakPolarHBondContact O-CB 3.41Å; C177-S181 PolarHBondContact O-N 2.8Å; C177-S181 VanDerWaalsContact O-N 3.14Å; C177-S181 PolarHBondContact O-OG 3.33Å; L178-S181 PolarHBondContact O-N 2.82Å; S181-R207 PolarHBondContact O-NH1 3.35Å
182D92.9Very high91.3Very high37 Ų3746.7 Ų46.720%0.19825%0.247CC..SBendtrans-83.4-34.9171.4-59.4-60000110.8R20 T21 R207R20-D182 WeakPolarHBondContact CA-OD2 3.48Å; T21-D182 PolarHBondContact N-OD2 2.8Å; T21-D182 PolarHBondContact O-N 3.01Å; D182-R207 WeakPolarHBondContact O-CB 3.08Å; D182-R207 PolarHBondContact O-N 2.82Å; D182-R207 IonicContact OD1-CZ 2.85Å; D182-R207 IonicContact OD1-NE 3.83Å; D182-R207 IonicContact OD1-NH2 3.68Å; D182-R207 PolarHBondContact OD1-NH2 2.91Å
183D95.3Very high89.9Confident1 Ų144.1 Ų44.11%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-129136.9179.8-67.2-101.9000110.6R20 T21 F22 L23 R205 R206R20-D183 IonicContact CZ-OD1 2.91Å; R20-D183 IonicContact CZ-OD2 3.4Å; R20-D183 VanDerWaalsContact CZ-OD2 3.23Å; R20-D183 IonicContact NE-OD2 2.79Å; R20-D183 PolarHBondContact NE-OD2 3.46Å; R20-D183 IonicContact NH2-OD1 3.91Å; R20-D183 PolarHBondContact NH2-OD1 2.92Å; R20-D183 IonicContact NH2-OD2 3.1Å; R20-D183 PolarHBondContact NH2-OD2 2.93Å; T21-D183 PolarHBondContact O-N 2.8Å; F22-D183 CarbonylContact C-O 3.6Å; F22-D183 WeakPolarHBondContact CA-O 3.34Å; F22-D183 HydrophobicContact CD1-CB 3.44Å; F22-D183 VanDerWaalsContact CD1-CB 3.44Å; F22-D183 HydrophobicContact CE1-CB 3.66Å; F22-D183 HydrophobicContact CG-CB 4.21Å; L23-D183 PolarHBondContact N-O 2.84Å; D183-R205 CarbonylContact C-O 3.57Å; D183-R205 WeakPolarHBondContact CA-O 3.49Å; D183-R206 IonicContact OD1-CZ 2.7Å; D183-R206 IonicContact OD1-NE 2.98Å; D183-R206 PolarHBondContact OD1-NE 2.96Å; D183-R206 IonicContact OD1-NH2 3.31Å; D183-R206 PolarHBondContact OD1-NH2 3.19Å; D183-R206 IonicContact OD2-NE 2.83Å
184V96.2Very high88.3Confident0 Ų049.7 Ų49.70%029%0.286CS..EExtended strand (participates in β ladder)trans-120.2126.9174.8-169.30000108.9L23 R25 L178 I204 R205 F214L23-V184 HydrophobicContact CB-CG1 4.39Å; L23-V184 HydrophobicContact CB-CG2 4.49Å; L23-V184 HydrophobicContact CD2-CG1 4.2Å; L23-V184 HydrophobicContact CG-CG1 4.47Å; L23-V184 CarbonylContact O-C 3.57Å; L23-V184 WeakPolarHBondContact O-CA 3.26Å; R25-V184 HydrophobicContact CG-CG1 4.19Å; L178-V184 HydrophobicContact CD2-CB 4.44Å; L178-V184 HydrophobicContact CD2-CG1 4.04Å; L178-V184 HydrophobicContact CD2-CG2 3.66Å; V184-I204 WeakPolarHBondContact O-CA 3.4Å; V184-R205 HydrophobicContact CB-CB 4.26Å; V184-R205 VanDerWaalsContact CG1-NH2 3.28Å; V184-R205 PolarHBondContact N-O 3.44Å; V184-R205 PolarHBondContact O-N 3.18Å; V184-F214 HydrophobicContact CG2-CE1 4.19Å
185L97.1Very high86.5Confident0 Ų048.6 Ų48.60%029%0.29CS..EExtended strand (participates in β ladder)trans-113.992.8-175.7-56.8-171.8000108L9 F22 L23 I24 R25 L35 F39 L202 I204L9-L185 HydrophobicContact CD1-CD1 4.33Å; L9-L185 HydrophobicContact CD2-CD2 3.69Å; F22-L185 HydrophobicContact CD1-CD1 4.22Å; F22-L185 HydrophobicContact CD1-CG 4.48Å; L23-L185 PolarHBondContact O-N 2.84Å; I24-L185 WeakPolarHBondContact CA-O 3.38Å; I24-L185 HydrophobicContact CG1-CB 4.13Å; I24-L185 HydrophobicContact CG1-CD1 4.07Å; R25-L185 PolarHBondContact N-O 2.83Å; L35-L185 HydrophobicContact CD1-CB 4.07Å; L35-L185 HydrophobicContact CD1-CD1 4.18Å; F39-L185 HydrophobicContact CE2-CD1 4.1Å; F39-L185 HydrophobicContact CZ-CD1 4.4Å; L185-L202 HydrophobicContact CB-CD1 3.92Å; L185-I204 HydrophobicContact CD2-CB 4.26Å; L185-I204 HydrophobicContact CD2-CG1 3.97Å; L185-I204 HydrophobicContact CD2-CG2 3.87Å
186D96.1Very high84.9Confident19 Ų1951.4 Ų51.410%0.10230%0.297CS..EExtended strand (participates in β ladder)trans-87.6108.8179.6-64.2-56.8000110.4R25 L202 N203 R205R25-D186 WeakPolarHBondContact CB-OD1 3.29Å; R25-D186 IonicContact CZ-OD1 3.52Å; R25-D186 IonicContact NE-OD1 2.75Å; R25-D186 PolarHBondContact NE-OD1 2.78Å; R25-D186 IonicContact NH2-OD1 3.12Å; R25-D186 PolarHBondContact NH2-OD1 3.24Å; R25-D186 IonicContact NH2-OD2 3.81Å; R25-D186 CarbonylContact O-C 3.47Å; R25-D186 WeakPolarHBondContact O-CA 3.39Å; D186-L202 CarbonylContact O-C 3.54Å; D186-L202 WeakPolarHBondContact O-CA 3.45Å; D186-N203 HydrophobicContact CB-CB 4.15Å; D186-N203 PolarHBondContact N-O 3.32Å; D186-N203 PolarHBondContact O-N 2.94Å; D186-R205 IonicContact OD1-NH2 3.81Å; D186-R205 PolarHBondContact OD1-NH2 3.22Å; D186-R205 IonicContact OD2-CZ 2.61Å; D186-R205 IonicContact OD2-NE 3.51Å; D186-R205 PolarHBondContact OD2-NE 3.47Å; D186-R205 IonicContact OD2-NH2 2.89Å; D186-R205 PolarHBondContact OD2-NH2 3.02Å
187V95.8Very high83.9Confident5 Ų555 Ų553%0.0332%0.316CS..EExtended strand (participates in β ladder)trans-88.8122.2172-174.70000107.9R25 D26 I30 F34 L35 C200 L202R25-V187 PolarHBondContact O-N 2.87Å; D26-V187 HydrophobicContact CB-CB 4.22Å; I30-V187 HydrophobicContact CB-CG1 4.33Å; I30-V187 HydrophobicContact CG2-CG1 3.61Å; F34-V187 HydrophobicContact CE1-CG1 4.08Å; F34-V187 HydrophobicContact CE1-CG2 4.3Å; F34-V187 HydrophobicContact CZ-CG1 4.24Å; F34-V187 HydrophobicContact CZ-CG2 4.09Å; L35-V187 HydrophobicContact CD1-CG2 3.59Å; V187-C200 HydrophobicContact CG1-CB 4.37Å; V187-L202 HydrophobicContact CG2-CD1 4.1Å
188A93.1Very high82.9Confident25 Ų2556 Ų5621%0.20732%0.321CS..EExtended strand (participates in β ladder)trans-138.6158.6-178.800000111.3C200 Q201A188-C200 WeakPolarHBondContact O-CA 3.41Å; A188-C200 VanDerWaalsContact O-CB 3.31Å; A188-C200 WeakPolarHBondContact O-CB 3.32Å; A188-Q201 HydrophobicContact CB-CG 4.01Å; A188-Q201 PolarHBondContact N-O 3.29Å; A188-Q201 WeakPolarHBondContact O-CG 3.34Å; A188-Q201 PolarHBondContact O-N 2.89Å
189P90.2Very high82.4Confident52 Ų5257.5 Ų57.534%0.33833%0.33SS..EExtended strand (participates in β ladder)trans-60.4158.4168.3-16.331000111.1E29 I30 Q201E29-P189 HydrophobicContact CB-CG 4.16Å; I30-P189 HydrophobicContact CD1-CB 4.1Å; I30-P189 HydrophobicContact CD1-CG 4.21Å; I30-P189 HydrophobicContact CG1-CG 4.34Å; P189-Q201 WeakPolarHBondContact O-CG 3.31Å; P189-Q201 PolarHBondContact O-NE2 2.96Å
190L87.7Confident82.4Confident30 Ų3048.3 Ų48.316%0.15730%0.295CS..  trans-66.1138.7170.1-60.8173.5000109.7T192 G193 L198 Q201 L220L190-T192 PolarHBondContact O-N 3.48Å; L190-G193 WeakPolarHBondContact CB-O 3.37Å; L190-L198 HydrophobicContact CD1-CB 3.6Å; L190-L198 WeakPolarHBondContact CD1-O 3.42Å; L190-Q201 HydrophobicContact CD2-CB 4.23Å; L190-L220 HydrophobicContact CD2-CD2 3.85Å
191E79.5Confident82.5Confident147 Ų14747.7 Ų47.769%0.68729%0.291SS*.THydrogen-bonded Turntrans-64.9-28.7179.5-70.9163.8-14400112.6Q201 K218E191-Q201 PolarHBondContact OE1-NE2 3.37Å; E191-K218 IonicContact OE1-NZ 3.61Å; E191-K218 PolarHBondContact OE1-NZ 3.33Å
192T70.5Confident82.6Confident130 Ų13047.7 Ų47.780%0.79829%0.291SS*.THydrogen-bonded Turntrans-118.965.3-174.959.40000111.4L190L190-T192 PolarHBondContact O-N 3.48Å
193G60.3Low82.7Confident55 Ų5548 Ų4857%0.56729%0.293SS*.  trans57.4-171.7174.600000115.1L190L190-G193 WeakPolarHBondContact CB-O 3.37Å
194S57.5Low82.7Confident122 Ų12248.2 Ų48.285%0.85329%0.294SS*.  trans-84.7118.8174.849.40000110.4
195G55.6Low82.6Confident34 Ų3450.7 Ų50.735%0.35130%0.304SS..  trans-121.8129.5176.300000111.3D197 L198G195-D197 PolarHBondContact O-N 2.94Å; G195-L198 WeakPolarHBondContact O-CB 3.48Å; G195-L198 PolarHBondContact O-N 2.79Å
196N59.5Low82.3Confident116 Ų11653 Ų5362%0.6231%0.312SS*.THydrogen-bonded Turntrans34.765.4167.3-66.6-12.3000115.2L198N196-L198 PolarHBondContact O-N 2.83Å
197D70.7Confident82Confident121 Ų12155.9 Ų55.965%0.64732%0.322SS*.THydrogen-bonded Turntrans64.51.4178-56.6-32.9000116.5G195 N199 C222G195-D197 PolarHBondContact O-N 2.94Å; D197-N199 PolarHBondContact O-OD1 2.71Å; D197-N199 VanDerWaalsContact O-OD1 3.08Å; D197-C222 PolarHBondContact O-SG 3.27Å
198L73.3Confident81.2Confident21 Ų2159.5 Ų59.511%0.1134%0.338CS..  trans-76.2130.2171-63.5174.8000109.8L190 G195 N196 L220 C222 F231 V236L190-L198 HydrophobicContact CD1-CB 3.6Å; L190-L198 WeakPolarHBondContact CD1-O 3.42Å; G195-L198 WeakPolarHBondContact O-CB 3.48Å; G195-L198 PolarHBondContact O-N 2.79Å; N196-L198 PolarHBondContact O-N 2.83Å; L198-L220 HydrophobicContact CD1-CB 4.33Å; L198-L220 HydrophobicContact CD1-CD1 3.99Å; L198-L220 HydrophobicContact CD2-CB 4.05Å; L198-C222 HydrophobicContact CD2-CB 4.43Å; L198-F231 HydrophobicContact CD2-CD2 3.99Å; L198-F231 HydrophobicContact CD2-CE2 4.31Å; L198-V236 HydrophobicContact CD1-CG1 3.85Å; L198-V236 HydrophobicContact CD1-CG2 3.95Å; L198-V236 HydrophobicContact CD2-CG1 4.33Å; L198-V236 HydrophobicContact CG-CG1 4.21Å
199N83.3Confident80Confident72 Ų7267.5 Ų67.539%0.38537%0.368SS..  trans-104.9-38.3-176.7-57.597.7000111.6I30 D197 A221 L223I30-N199 VanDerWaalsContact CD1-O 3.23Å; I30-N199 WeakPolarHBondContact CD1-O 3.33Å; D197-N199 PolarHBondContact O-OD1 2.71Å; D197-N199 VanDerWaalsContact O-OD1 3.08Å; N199-A221 PolarHBondContact N-O 3.37Å; N199-L223 HydrophobicContact CB-CB 4.06Å; N199-L223 HydrophobicContact CB-CD1 3.98Å; N199-L223 HydrophobicContact CB-CG 3.95Å; N199-L223 WeakPolarHBondContact OD1-CA 3.26Å; N199-L223 PolarHBondContact OD1-N 3.22Å; N199-L223 PolarHBondContact OD1-O 2.65Å
200C91.4Very high78.8Confident0 Ų073 Ų730%040%0.395CS..EExtended strand (participates in β ladder)trans-150.8169.8-174.867.90000113.1I30 V187 A188 A221I30-C200 HydrophobicContact CD1-CB 3.43Å; I30-C200 VanDerWaalsContact CD1-CB 3.43Å; I30-C200 HydrophobicContact CG2-CB 3.84Å; V187-C200 HydrophobicContact CG1-CB 4.37Å; A188-C200 WeakPolarHBondContact O-CA 3.41Å; A188-C200 VanDerWaalsContact O-CB 3.31Å; A188-C200 WeakPolarHBondContact O-CB 3.32Å; C200-A221 PolarHBondContact N-O 3.21Å; C200-A221 PolarHBondContact O-N 3.22Å
201Q92.9Very high77.7Confident14 Ų1477.4 Ų77.47%0.06541%0.413CS..EExtended strand (participates in β ladder)trans-113.2147.7166.662.2-173.715.100110A188 P189 L190 E191 L219 L220A188-Q201 HydrophobicContact CB-CG 4.01Å; A188-Q201 PolarHBondContact N-O 3.29Å; A188-Q201 WeakPolarHBondContact O-CG 3.34Å; A188-Q201 PolarHBondContact O-N 2.89Å; P189-Q201 WeakPolarHBondContact O-CG 3.31Å; P189-Q201 PolarHBondContact O-NE2 2.96Å; L190-Q201 HydrophobicContact CD2-CB 4.23Å; E191-Q201 PolarHBondContact OE1-NE2 3.37Å; Q201-L219 CarbonylContact C-O 3.55Å; Q201-L219 WeakPolarHBondContact CA-O 3.5Å; Q201-L220 HydrophobicContact CB-CD2 4.13Å
202L94.7Very high76.8Confident0 Ų078.7 Ų78.70%042%0.424CS..EExtended strand (participates in β ladder)trans-117.9113.9174.1172.963.5000108.6L5 L35 L185 D186 V187 I204 K218 L219 F230L5-L202 HydrophobicContact CD1-CD2 3.6Å; L35-L202 HydrophobicContact CD1-CD1 4.06Å; L35-L202 HydrophobicContact CD2-CD2 4.23Å; L185-L202 HydrophobicContact CB-CD1 3.92Å; D186-L202 CarbonylContact O-C 3.54Å; D186-L202 WeakPolarHBondContact O-CA 3.45Å; V187-L202 HydrophobicContact CG2-CD1 4.1Å; L202-I204 HydrophobicContact CD2-CD1 4.2Å; L202-I204 HydrophobicContact CD2-CG1 4.09Å; L202-I204 HydrophobicContact CG-CD1 4.5Å; L202-I204 HydrophobicContact CG-CG1 3.92Å; L202-K218 WeakPolarHBondContact O-CA 3.41Å; L202-L219 HydrophobicContact CB-CB 4.34Å; L202-L219 HydrophobicContact CD2-CD1 4.4Å; L202-L219 PolarHBondContact N-O 3.3Å; L202-L219 PolarHBondContact O-N 2.82Å; L202-F230 HydrophobicContact CD2-CD1 4.32Å; L202-F230 HydrophobicContact CD2-CE1 3.79Å
203N95Very high76.8Confident45 Ų4578.1 Ų78.124%0.24142%0.415CS..EExtended strand (participates in β ladder)trans-95.3120170.3-52-70000108.9D186 K218D186-N203 HydrophobicContact CB-CB 4.15Å; D186-N203 PolarHBondContact N-O 3.32Å; D186-N203 PolarHBondContact O-N 2.94Å; N203-K218 WeakPolarHBondContact OD1-CG 3.34Å
204I95.3Very high77.5Confident4 Ų478.4 Ų78.42%0.02140%0.401CS..EExtended strand (participates in β ladder)trans-102.8120.9-179.6-55.8173.5000106.9L5 A8 L9 V184 L185 L202 N216 R217 L219L5-I204 HydrophobicContact CD1-CD1 4.45Å; A8-I204 HydrophobicContact CB-CD1 3.81Å; L9-I204 HydrophobicContact CD2-CD1 3.91Å; L9-I204 HydrophobicContact CD2-CG1 4.37Å; L9-I204 HydrophobicContact CD2-CG2 3.67Å; V184-I204 WeakPolarHBondContact O-CA 3.4Å; L185-I204 HydrophobicContact CD2-CB 4.26Å; L185-I204 HydrophobicContact CD2-CG1 3.97Å; L185-I204 HydrophobicContact CD2-CG2 3.87Å; L202-I204 HydrophobicContact CD2-CD1 4.2Å; L202-I204 HydrophobicContact CD2-CG1 4.09Å; L202-I204 HydrophobicContact CG-CD1 4.5Å; L202-I204 HydrophobicContact CG-CG1 3.92Å; I204-N216 CarbonylContact O-C 3.58Å; I204-N216 WeakPolarHBondContact O-CA 3.39Å; I204-R217 HydrophobicContact CB-CB 4.28Å; I204-R217 PolarHBondContact N-O 3.03Å; I204-R217 PolarHBondContact O-N 3.26Å; I204-L219 HydrophobicContact CD1-CD1 3.87Å; I204-L219 HydrophobicContact CD1-CG 4.27Å
205R94.1Very high78.6Confident52 Ų5276.2 Ų76.220%0.19638%0.377CS..EExtended strand (participates in β ladder)trans-116.9117176.5-59.3-171.1-79.4152.70.4108.4D183 V184 D186 F214 E215 N216D183-R205 CarbonylContact C-O 3.57Å; D183-R205 WeakPolarHBondContact CA-O 3.49Å; V184-R205 HydrophobicContact CB-CB 4.26Å; V184-R205 VanDerWaalsContact CG1-NH2 3.28Å; V184-R205 PolarHBondContact N-O 3.44Å; V184-R205 PolarHBondContact O-N 3.18Å; D186-R205 IonicContact OD1-NH2 3.81Å; D186-R205 PolarHBondContact OD1-NH2 3.22Å; D186-R205 IonicContact OD2-CZ 2.61Å; D186-R205 IonicContact OD2-NE 3.51Å; D186-R205 PolarHBondContact OD2-NE 3.47Å; D186-R205 IonicContact OD2-NH2 2.89Å; D186-R205 PolarHBondContact OD2-NH2 3.02Å; R205-F214 VanDerWaalsContact C-CD1 3.48Å; R205-F214 HydrophobicContact CB-CB 3.87Å; R205-F214 HydrophobicContact CB-CD1 3.59Å; R205-F214 HydrophobicContact CB-CE1 4.37Å; R205-F214 HydrophobicContact CB-CG 3.91Å; R205-E215 CarbonylContact C-O 3.57Å; R205-E215 WeakPolarHBondContact CA-O 3.31Å; R205-N216 WeakPolarHBondContact CG-OD1 3.45Å
206R92.3Very high80.2Confident50 Ų5080.1 Ų80.119%0.18939%0.39CS..EExtended strand (participates in β ladder)trans-108.4124.4174.7-178.1171-62.1155.815.4112.4L9 D10 D183 Q208 F214 E215L9-R206 VanDerWaalsContact C-NH2 3.33Å; L9-R206 PolarHBondContact O-NH2 3.44Å; D10-R206 IonicContact OD2-CZ 2.88Å; D10-R206 IonicContact OD2-NH1 2.75Å; D10-R206 PolarHBondContact OD2-NH1 2.92Å; D10-R206 IonicContact OD2-NH2 2.65Å; D10-R206 PolarHBondContact OD2-NH2 3.23Å; D183-R206 IonicContact OD1-CZ 2.7Å; D183-R206 IonicContact OD1-NE 2.98Å; D183-R206 PolarHBondContact OD1-NE 2.96Å; D183-R206 IonicContact OD1-NH2 3.31Å; D183-R206 PolarHBondContact OD1-NH2 3.19Å; D183-R206 IonicContact OD2-NE 2.83Å; R206-Q208 PolarHBondContact O-N 3.06Å; R206-F214 CarbonylContact O-C 3.57Å; R206-F214 WeakPolarHBondContact O-CA 3.27Å; R206-E215 PolarHBondContact N-O 3.24Å; R206-E215 PolarHBondContact O-N 3.41Å
207R88.9Confident81.6Confident78 Ų7879 Ų7929%0.29438%0.377SS..EExtended strand (participates in β ladder)trans-67.8124.1174.2-175.8172.562.9-159.93.9109.5R179 S181 D182 F214R179-R207 PolarHBondContact O-NH1 3.08Å; S181-R207 PolarHBondContact O-NH1 3.35Å; D182-R207 WeakPolarHBondContact O-CB 3.08Å; D182-R207 PolarHBondContact O-N 2.82Å; D182-R207 IonicContact OD1-CZ 2.85Å; D182-R207 IonicContact OD1-NE 3.83Å; D182-R207 IonicContact OD1-NH2 3.68Å; D182-R207 PolarHBondContact OD1-NH2 2.91Å; R207-F214 HydrophobicContact CB-CD1 4.17Å; R207-F214 HydrophobicContact CB-CE1 3.72Å; R207-F214 HydrophobicContact CB-CZ 4.15Å; R207-F214 VanDerWaalsContact N-CD1 3.26Å
208Q79.8Confident82.6Confident81 Ų8176.5 Ų76.538%0.37936%0.36SS..PPolyproline II helixtrans-76.8129.5170-68.8-169.1-14.500109R206 D210 K211 L213R206-Q208 PolarHBondContact O-N 3.06Å; Q208-D210 PolarHBondContact O-N 2.88Å; Q208-K211 HydrophobicContact CB-CB 4.24Å; Q208-K211 PolarHBondContact O-N 2.71Å; Q208-K211 VanDerWaalsContact O-O 3.08Å; Q208-L213 PolarHBondContact N-O 3.47Å
209K67.7Low83.5Confident193 Ų19375.6 Ų75.684%0.83936%0.356SS*.THydrogen-bonded Turntrans-51119.7170.2-69.9-178.7177.1-179.70106.8
210D65.2Low83.9Confident169 Ų16973.3 Ų73.390%0.90434%0.344SS*.THydrogen-bonded Turntrans83.94.6-179.2-42.1-38.5000117.9Q208Q208-D210 PolarHBondContact O-N 2.88Å
211K63.3Low83.9Confident121 Ų12173.3 Ų73.353%0.52634%0.344SS..  trans-130141.2172.3-59.9-177.9-174.9172.30111.5Q208 L213Q208-K211 HydrophobicContact CB-CB 4.24Å; Q208-K211 PolarHBondContact O-N 2.71Å; Q208-K211 VanDerWaalsContact O-O 3.08Å; K211-L213 HydrophobicContact CB-CB 4.23Å; K211-L213 PolarHBondContact O-N 3.24Å; K211-L213 VanDerWaalsContact O-N 3.12Å
212L62.4Low83.6Confident174 Ų17472.9 Ų72.991%0.91134%0.342SS*.SBendtrans-72.47.7167.2-66.5171.6000112.5
213L69.1Low83.1Confident119 Ų11975.3 Ų75.362%0.62335%0.354SS*.PPolyproline II helixtrans-97137.7-180-66.3170000109.4Q208 K211Q208-L213 PolarHBondContact N-O 3.47Å; K211-L213 HydrophobicContact CB-CB 4.23Å; K211-L213 PolarHBondContact O-N 3.24Å; K211-L213 VanDerWaalsContact O-N 3.12Å
214F75.5Confident82.4Confident61 Ų6176.7 Ų76.727%0.26836%0.36SS..EExtended strand (participates in β ladder)trans-98.2136.2173.6-71.8-96.3000110V184 R205 R206 R207V184-F214 HydrophobicContact CG2-CE1 4.19Å; R205-F214 VanDerWaalsContact C-CD1 3.48Å; R205-F214 HydrophobicContact CB-CB 3.87Å; R205-F214 HydrophobicContact CB-CD1 3.59Å; R205-F214 HydrophobicContact CB-CE1 4.37Å; R205-F214 HydrophobicContact CB-CG 3.91Å; R206-F214 CarbonylContact O-C 3.57Å; R206-F214 WeakPolarHBondContact O-CA 3.27Å; R207-F214 HydrophobicContact CB-CD1 4.17Å; R207-F214 HydrophobicContact CB-CE1 3.72Å; R207-F214 HydrophobicContact CB-CZ 4.15Å; R207-F214 VanDerWaalsContact N-CD1 3.26Å
215E81.3Confident81.2Confident76 Ų7684.2 Ų84.236%0.35540%0.395SS..EExtended strand (participates in β ladder)trans-71.8127.6158.4-176.2-174.7156.900107.7R205 R206 R217R205-E215 CarbonylContact C-O 3.57Å; R205-E215 WeakPolarHBondContact CA-O 3.31Å; R206-E215 PolarHBondContact N-O 3.24Å; R206-E215 PolarHBondContact O-N 3.41Å; E215-R217 IonicContact OE1-CZ 3.36Å; E215-R217 VanDerWaalsContact OE1-CZ 3.31Å; E215-R217 IonicContact OE1-NE 2.67Å; E215-R217 PolarHBondContact OE1-NE 3.3Å; E215-R217 IonicContact OE1-NH2 2.71Å; E215-R217 PolarHBondContact OE1-NH2 2.99Å
216N87.8Confident80Confident115 Ų11591.8 Ų91.862%0.61542%0.423SS*.EExtended strand (participates in β ladder)trans-107127.9-177.8-63.5-28.2000109.9I204 R205I204-N216 CarbonylContact O-C 3.58Å; I204-N216 WeakPolarHBondContact O-CA 3.39Å; R205-N216 WeakPolarHBondContact CG-OD1 3.45Å
217R90.8Very high79.3Confident92 Ų9293.2 Ų93.235%0.34743%0.434SS..EExtended strand (participates in β ladder)trans-124.8145.6168.1-62-178.5-176.7179.1-2.6108.8A8 D10 I204 E215A8-R217 PolarHBondContact O-NH1 3.22Å; D10-R217 IonicContact OD1-NH1 3.94Å; D10-R217 IonicContact OD2-NH1 3.23Å; I204-R217 HydrophobicContact CB-CB 4.28Å; I204-R217 PolarHBondContact N-O 3.03Å; I204-R217 PolarHBondContact O-N 3.26Å; E215-R217 IonicContact OE1-CZ 3.36Å; E215-R217 VanDerWaalsContact OE1-CZ 3.31Å; E215-R217 IonicContact OE1-NE 2.67Å; E215-R217 PolarHBondContact OE1-NE 3.3Å; E215-R217 IonicContact OE1-NH2 2.71Å; E215-R217 PolarHBondContact OE1-NH2 2.99Å
218K91.7Very high79.2Confident69 Ų6990 Ų9030%0.342%0.423SS..EExtended strand (participates in β ladder)trans-118134176.6-171.2170.2-169.1174.80108.6E191 L202 N203 P233E191-K218 IonicContact OE1-NZ 3.61Å; E191-K218 PolarHBondContact OE1-NZ 3.33Å; L202-K218 WeakPolarHBondContact O-CA 3.41Å; N203-K218 WeakPolarHBondContact OD1-CG 3.34Å; K218-P233 HydrophobicContact CB-CG 4.13Å; K218-P233 HydrophobicContact CG-CG 4.21Å; K218-P233 WeakPolarHBondContact O-CD 3.44Å
219L92.2Very high79.5Confident3 Ų391.9 Ų91.92%0.01643%0.427CS..EExtended strand (participates in β ladder)trans-122.7150.7169.4-63.4178.7000109.1L5 A8 Q201 L202 I204 F230 F231 N232L5-L219 HydrophobicContact CD1-CD1 4.27Å; A8-L219 HydrophobicContact CB-CD1 3.72Å; A8-L219 HydrophobicContact CB-CG 4.45Å; Q201-L219 CarbonylContact C-O 3.55Å; Q201-L219 WeakPolarHBondContact CA-O 3.5Å; L202-L219 HydrophobicContact CB-CB 4.34Å; L202-L219 HydrophobicContact CD2-CD1 4.4Å; L202-L219 PolarHBondContact N-O 3.3Å; L202-L219 PolarHBondContact O-N 2.82Å; I204-L219 HydrophobicContact CD1-CD1 3.87Å; I204-L219 HydrophobicContact CD1-CG 4.27Å; L219-F230 HydrophobicContact CB-CD1 4.23Å; L219-F230 HydrophobicContact CD1-CB 4.21Å; L219-F230 HydrophobicContact CD1-CD1 3.99Å; L219-F230 HydrophobicContact CD1-CG 4.36Å; L219-F231 CarbonylContact C-O 3.47Å; L219-F231 WeakPolarHBondContact CA-O 3.32Å; L219-N232 VanDerWaalsContact CD2-OD1 3.23Å; L219-N232 WeakPolarHBondContact CD2-OD1 3.48Å
220L91.2Very high80.5Confident24 Ų2483 Ų8313%0.12639%0.388CS..EExtended strand (participates in β ladder)trans-101.4142.3167.4-57.9173.4000107.8L190 L198 Q201 F230 F231 V236L190-L220 HydrophobicContact CD2-CD2 3.85Å; L198-L220 HydrophobicContact CD1-CB 4.33Å; L198-L220 HydrophobicContact CD1-CD1 3.99Å; L198-L220 HydrophobicContact CD2-CB 4.05Å; Q201-L220 HydrophobicContact CB-CD2 4.13Å; L220-F230 CarbonylContact O-C 3.57Å; L220-F230 VanDerWaalsContact O-CA 3.23Å; L220-F230 WeakPolarHBondContact O-CA 3.42Å; L220-F231 HydrophobicContact CB-CB 4.44Å; L220-F231 PolarHBondContact N-O 3.3Å; L220-F231 PolarHBondContact O-N 3.09Å; L220-V236 HydrophobicContact CD1-CG2 3.46Å; L220-V236 VanDerWaalsContact CD1-CG2 3.46Å
221A89.9Confident81.6Confident0 Ų076.8 Ų76.80%035%0.354CS..EExtended strand (participates in β ladder)trans-128.4135.7-177.600000112N199 C200 V228 R229 F230N199-A221 PolarHBondContact N-O 3.37Å; C200-A221 PolarHBondContact N-O 3.21Å; C200-A221 PolarHBondContact O-N 3.22Å; A221-V228 HydrophobicContact CB-CG1 4.5Å; A221-R229 WeakPolarHBondContact CA-O 3.23Å; A221-F230 HydrophobicContact CB-CD1 3.87Å; A221-F230 HydrophobicContact CB-CE1 3.93Å
222C88.2Confident82.6Confident5 Ų575.3 Ų75.33%0.03435%0.351CS..EExtended strand (participates in β ladder)trans-107.9112.5172.2176.80000107.9D197 L198 H224 V228 R229 F231D197-C222 PolarHBondContact O-SG 3.27Å; L198-C222 HydrophobicContact CD2-CB 4.43Å; C222-H224 VanDerWaalsContact SG-CD2 3.54Å; C222-H224 PolarHBondContact SG-CE1 2.75Å; C222-H224 PolarHBondContact SG-NE2 2.75Å; C222-V228 WeakPolarHBondContact O-CA 3.34Å; C222-R229 HydrophobicContact CB-CB 4.49Å; C222-R229 PolarHBondContact N-O 2.93Å; C222-R229 PolarHBondContact O-N 2.61Å; C222-F231 HydrophobicContact CB-CE2 4Å
223L84.1Confident83.5Confident50 Ų5070.3 Ų70.326%0.26233%0.329SS..EExtended strand (participates in β ladder)trans-96.899.1-178.9-56.4176000108.7I30 F34 N199 V228I30-L223 HydrophobicContact CG2-CD1 4.33Å; F34-L223 HydrophobicContact CD1-CD2 3.87Å; F34-L223 HydrophobicContact CD2-CD2 4.19Å; F34-L223 HydrophobicContact CE1-CD2 4Å; F34-L223 HydrophobicContact CE2-CD2 4.29Å; F34-L223 HydrophobicContact CG-CD2 3.98Å; F34-L223 HydrophobicContact CZ-CD2 4.22Å; N199-L223 HydrophobicContact CB-CB 4.06Å; N199-L223 HydrophobicContact CB-CD1 3.98Å; N199-L223 HydrophobicContact CB-CG 3.95Å; N199-L223 WeakPolarHBondContact OD1-CA 3.26Å; N199-L223 PolarHBondContact OD1-N 3.22Å; N199-L223 PolarHBondContact OD1-O 2.65Å; L223-V228 HydrophobicContact CD2-CB 4.27Å; L223-V228 HydrophobicContact CD2-CG1 3.64Å; L223-V228 HydrophobicContact CD2-CG2 3.67Å
224H79.5Confident83.9Confident75 Ų7567.1 Ų67.135%0.34733%0.325SS..EExtended strand (participates in β ladder)trans-99.6160.4167.4-59.7-69.3000110.6C222 R226 N227 R229C222-H224 VanDerWaalsContact SG-CD2 3.54Å; C222-H224 PolarHBondContact SG-CE1 2.75Å; C222-H224 PolarHBondContact SG-NE2 2.75Å; H224-R226 PolarHBondContact O-N 2.87Å; H224-N227 WeakPolarHBondContact CA-O 3.44Å; H224-N227 WeakPolarHBondContact CB-O 3.47Å; H224-N227 PolarHBondContact N-O 3.42Å; H224-N227 PolarHBondContact O-N 3.4Å; H224-N227 VanDerWaalsContact O-O 3.1Å; H224-R229 PolarHBondContact NE2-NH2 3.11Å
225E69.7Low83.9Confident162 Ų16269.8 Ų69.876%0.75734%0.342SS*.THydrogen-bonded Turntrans-52.7-31.8-178.9-64.6-171.8159.200114.3R68R68-E225 WeakPolarHBondContact CD-O 3.16Å; R68-E225 PolarHBondContact NH1-O 3.37Å
226R69.7Low83.2Confident211 Ų21167 Ų6780%0.79633%0.33SS*.THydrogen-bonded Turntrans-113.6-10.5-175.9-63.5-173.5-177.3-173.80.5114.5H224H224-R226 PolarHBondContact O-N 2.87Å
227N78.1Confident81.9Confident79 Ų7966 Ų6642%0.42233%0.33SS..EExtended strand (participates in β ladder)trans-154.5145.1-175-158.47.2000111.5H224H224-N227 WeakPolarHBondContact CA-O 3.44Å; H224-N227 WeakPolarHBondContact CB-O 3.47Å; H224-N227 PolarHBondContact N-O 3.42Å; H224-N227 PolarHBondContact O-N 3.4Å; H224-N227 VanDerWaalsContact O-O 3.1Å
228V85.2Confident80.3Confident11 Ų1165.1 Ų65.17%0.06735%0.348CS..EExtended strand (participates in β ladder)trans-113.7126.8168.9-179.30000107.8F2 F34 A221 C222 L223 F230F2-V228 HydrophobicContact CD1-CB 4.12Å; F2-V228 VanDerWaalsContact CD1-O 3.3Å; F2-V228 WeakPolarHBondContact CD1-O 3.42Å; F2-V228 HydrophobicContact CE1-CB 3.56Å; F2-V228 HydrophobicContact CE1-CG2 4.1Å; F2-V228 HydrophobicContact CE2-CB 4.11Å; F2-V228 HydrophobicContact CE2-CG2 4.44Å; F2-V228 HydrophobicContact CZ-CB 3.56Å; F2-V228 HydrophobicContact CZ-CG1 4.47Å; F2-V228 HydrophobicContact CZ-CG2 3.74Å; F34-V228 HydrophobicContact CB-CG2 4.09Å; F34-V228 HydrophobicContact CD2-CG1 4.06Å; F34-V228 HydrophobicContact CD2-CG2 4.27Å; F34-V228 HydrophobicContact CE2-CG1 4.31Å; F34-V228 HydrophobicContact CG-CG2 4.36Å; A221-V228 HydrophobicContact CB-CG1 4.5Å; C222-V228 WeakPolarHBondContact O-CA 3.34Å; L223-V228 HydrophobicContact CD2-CB 4.27Å; L223-V228 HydrophobicContact CD2-CG1 3.64Å; L223-V228 HydrophobicContact CD2-CG2 3.67Å; V228-F230 HydrophobicContact CB-CE2 4.34Å; V228-F230 HydrophobicContact CG1-CD2 4.21Å; V228-F230 HydrophobicContact CG1-CE1 4.49Å; V228-F230 HydrophobicContact CG1-CE2 3.54Å; V228-F230 HydrophobicContact CG1-CZ 3.74Å
229R87.5Confident78.2Confident121 Ų12165.8 Ų65.846%0.45736%0.358SS..EExtended strand (participates in β ladder)trans-114.2137.6176.3-71.2-174.4-86.1-171.7-4.1109.5A221 C222 H224 F231A221-R229 WeakPolarHBondContact CA-O 3.23Å; C222-R229 HydrophobicContact CB-CB 4.49Å; C222-R229 PolarHBondContact N-O 2.93Å; C222-R229 PolarHBondContact O-N 2.61Å; H224-R229 PolarHBondContact NE2-NH2 3.11Å; R229-F231 HydrophobicContact CB-CE2 3.85Å; R229-F231 HydrophobicContact CB-CZ 3.86Å
230F89.3Confident75.4Confident6 Ų670.3 Ų70.33%0.02640%0.396CS..EExtended strand (participates in β ladder)trans-112.7148.4176.8-60.5-99.8000110.4F2 E4 L5 F34 L35 L202 L219 L220 A221 V228F2-F230 HydrophobicContact CB-CD2 3.88Å; F2-F230 HydrophobicContact CB-CE2 3.57Å; F2-F230 HydrophobicContact CD1-CE2 4.35Å; F2-F230 AromaticContact CD2-CE2 3.45Å; F2-F230 HydrophobicContact CD2-CE2 3.45Å; F2-F230 VanDerWaalsContact CD2-CE2 3.45Å; F2-F230 AromaticContact CD2-CZ 3.99Å; F2-F230 HydrophobicContact CD2-CZ 3.99Å; F2-F230 HydrophobicContact CE2-CE2 4.19Å; F2-F230 HydrophobicContact CE2-CZ 4.5Å; F2-F230 HydrophobicContact CG-CD2 4.27Å; F2-F230 AromaticContact CG-CE2 3.55Å; F2-F230 HydrophobicContact CG-CE2 3.55Å; E4-F230 HydrophobicContact CB-CB 3.92Å; L5-F230 HydrophobicContact CB-CD2 4.12Å; L5-F230 HydrophobicContact CB-CE2 4Å; L5-F230 HydrophobicContact CB-CZ 4.3Å; L5-F230 HydrophobicContact CD1-CE1 4.29Å; L5-F230 HydrophobicContact CD1-CZ 4.4Å; L5-F230 HydrophobicContact CD2-CE2 4.27Å; L5-F230 HydrophobicContact CD2-CZ 3.96Å; L5-F230 HydrophobicContact CG-CZ 4.45Å; F34-F230 HydrophobicContact CD2-CZ 4.12Å; F34-F230 AromaticContact CE2-CE1 3.99Å; F34-F230 HydrophobicContact CE2-CE1 3.99Å; F34-F230 AromaticContact CE2-CZ 3.65Å; F34-F230 HydrophobicContact CE2-CZ 3.65Å; L35-F230 HydrophobicContact CD2-CZ 4.2Å; L202-F230 HydrophobicContact CD2-CD1 4.32Å; L202-F230 HydrophobicContact CD2-CE1 3.79Å; L219-F230 HydrophobicContact CB-CD1 4.23Å; L219-F230 HydrophobicContact CD1-CB 4.21Å; L219-F230 HydrophobicContact CD1-CD1 3.99Å; L219-F230 HydrophobicContact CD1-CG 4.36Å; L220-F230 CarbonylContact O-C 3.57Å; L220-F230 VanDerWaalsContact O-CA 3.23Å; L220-F230 WeakPolarHBondContact O-CA 3.42Å; A221-F230 HydrophobicContact CB-CD1 3.87Å; A221-F230 HydrophobicContact CB-CE1 3.93Å; V228-F230 HydrophobicContact CB-CE2 4.34Å; V228-F230 HydrophobicContact CG1-CD2 4.21Å; V228-F230 HydrophobicContact CG1-CE1 4.49Å; V228-F230 HydrophobicContact CG1-CE2 3.54Å; V228-F230 HydrophobicContact CG1-CZ 3.74Å
231F87.7Confident73Confident39 Ų3979.1 Ų79.117%0.17144%0.441CS..EExtended strand (participates in β ladder)trans-135.4141.3-179.5-54.5-85.7000109.5L198 L219 L220 C222 R229 V236 P237L198-F231 HydrophobicContact CD2-CD2 3.99Å; L198-F231 HydrophobicContact CD2-CE2 4.31Å; L219-F231 CarbonylContact C-O 3.47Å; L219-F231 WeakPolarHBondContact CA-O 3.32Å; L220-F231 HydrophobicContact CB-CB 4.44Å; L220-F231 PolarHBondContact N-O 3.3Å; L220-F231 PolarHBondContact O-N 3.09Å; C222-F231 HydrophobicContact CB-CE2 4Å; R229-F231 HydrophobicContact CB-CE2 3.85Å; R229-F231 HydrophobicContact CB-CZ 3.86Å; F231-V236 HydrophobicContact CB-CG2 4.47Å; F231-P237 HydrophobicContact CD1-CG 4.3Å; F231-P237 VanDerWaalsContact CE1-CD 3.45Å; F231-P237 HydrophobicContact CE1-CG 3.71Å; F231-P237 HydrophobicContact CZ-CG 4.37Å
232N84.7Confident72.1Confident89 Ų8983.1 Ų83.148%0.47646%0.463SS..  trans-69.6144.8164-68.6-45.5000108.9L219 G234 L235L219-N232 VanDerWaalsContact CD2-OD1 3.23Å; L219-N232 WeakPolarHBondContact CD2-OD1 3.48Å; N232-G234 PolarHBondContact O-N 2.78Å; N232-L235 HydrophobicContact CB-CD1 4.06Å; N232-L235 HydrophobicContact CB-CG 4.45Å; N232-L235 PolarHBondContact O-N 3.14Å
233P81.3Confident71.3Confident70 Ų7087.2 Ų87.246%0.45549%0.486SS..THydrogen-bonded Turntrans-49.7133170.4-27.134.1000111K218 L235K218-P233 HydrophobicContact CB-CG 4.13Å; K218-P233 HydrophobicContact CG-CG 4.21Å; K218-P233 WeakPolarHBondContact O-CD 3.44Å; P233-L235 VanDerWaalsContact C-N 3.34Å
234G76.6Confident70.6Confident51 Ų5189.3 Ų89.353%0.52650%0.498SS..THydrogen-bonded Turntrans85.2-7.9-176.900000115.9N232N232-G234 PolarHBondContact O-N 2.78Å
235L75.5Confident70Confident118 Ų11890.1 Ų90.162%0.61851%0.507SS*.  trans-108.422.6175.8-62.8-179000113N232 P233 P237N232-L235 HydrophobicContact CB-CD1 4.06Å; N232-L235 HydrophobicContact CB-CG 4.45Å; N232-L235 PolarHBondContact O-N 3.14Å; P233-L235 VanDerWaalsContact C-N 3.34Å; L235-P237 WeakPolarHBondContact O-CD 3.26Å
236V67.3Low70.1Confident18 Ų1885.6 Ų85.611%0.10949%0.492CS..  trans-73.5122.3179.4-173.70000108.9L198 L220 F231 G238 V239L198-V236 HydrophobicContact CD1-CG1 3.85Å; L198-V236 HydrophobicContact CD1-CG2 3.95Å; L198-V236 HydrophobicContact CD2-CG1 4.33Å; L198-V236 HydrophobicContact CG-CG1 4.21Å; L220-V236 HydrophobicContact CD1-CG2 3.46Å; L220-V236 VanDerWaalsContact CD1-CG2 3.46Å; F231-V236 HydrophobicContact CB-CG2 4.47Å; V236-G238 PolarHBondContact O-N 2.89Å; V236-V239 HydrophobicContact CB-CB 4.4Å; V236-V239 HydrophobicContact CB-CG2 4.05Å; V236-V239 HydrophobicContact CG1-CG2 3.98Å; V236-V239 PolarHBondContact O-N 3.34Å
237P60Low70.1Confident94 Ų9477.3 Ų77.361%0.6147%0.471SS*.THydrogen-bonded Turntrans-57.5125.2177.1-20.831.1000110.6F231 L235F231-P237 HydrophobicContact CD1-CG 4.3Å; F231-P237 VanDerWaalsContact CE1-CD 3.45Å; F231-P237 HydrophobicContact CE1-CG 3.71Å; F231-P237 HydrophobicContact CZ-CG 4.37Å; L235-P237 WeakPolarHBondContact O-CD 3.26Å
238G56.4Low69.5Low72 Ų7277.1 Ų77.174%0.74248%0.475SS*.THydrogen-bonded Turntrans88.93.3175.900000116.1V236V236-G238 PolarHBondContact O-N 2.89Å
239V48.2Very low68.3Low83 Ų8382.2 Ų82.250%0.50351%0.506SS..  trans-102.395.9166.6-1740000107.7V236V236-V239 HydrophobicContact CB-CB 4.4Å; V236-V239 HydrophobicContact CB-CG2 4.05Å; V236-V239 HydrophobicContact CG1-CG2 3.98Å; V236-V239 PolarHBondContact O-N 3.34Å
240A34.2Very low66.7Low98 Ų9879 Ų7981%0.8151%0.51SS*.  trans-70.6128.6167.800000108.4
241I39.3Very low64.7Low210 Ų21085.6 Ų85.6100%1.07755%0.554SS**  trans-76.70173.1-40.8174.5000108.8

Retrieved 241 of 241 residues in 76.8 ms (Link to these results)

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