G4VH72_SCHMA Loading...

Putative zinc finger protein

AlphaFold DB , UniProt , Accession G4VH72, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 297 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
1M32.9Very low64.6Low226 Ų226117.5 Ų117.5100%1.11361%0.613SS**  0108.60-68.1175.6-170.400105.3N3M1-N3 PolarHBondContact O-N 3.41Å
2D39.9Very low67.1Low158 Ų158108.3 Ų108.385%0.84556%0.564SS**  trans-66.7111.4170-172.314000106G4D2-G4 PolarHBondContact O-N 2.69Å
3N37.9Very low69.1Low147 Ų147105.1 Ų105.179%0.78655%0.547SS*.  trans-73.770.1171.5-77-23.7000106.5M1 V5M1-N3 PolarHBondContact O-N 3.41Å; N3-V5 PolarHBondContact O-N 3.44Å
4G44.4Very low70.9Confident51 Ų51106.4 Ų106.453%0.52655%0.549SS..  trans-59.4101.917700000107.8D2 F6D2-G4 PolarHBondContact O-N 2.69Å; G4-F6 VanDerWaalsContact C-N 3.31Å; G4-F6 PolarHBondContact O-N 3.25Å
5V54Low72.5Confident91 Ų91102.8 Ų102.855%0.55253%0.526SS*.  trans-61.3101.8166.9179.10000105.3N3 Y7N3-V5 PolarHBondContact O-N 3.44Å; V5-Y7 PolarHBondContact O-N 2.9Å
6F66.8Low74Confident173 Ų17396.5 Ų96.576%0.75949%0.494SS*.  trans-58.6130.8179.1-173.9-94.1000108.5G4 D8G4-F6 VanDerWaalsContact C-N 3.31Å; G4-F6 PolarHBondContact O-N 3.25Å; F6-D8 PolarHBondContact O-N 2.88Å; F6-D8 VanDerWaalsContact O-N 3.09Å
7Y77.9Confident75.3Confident65 Ų6594.2 Ų94.226%0.25548%0.48SS..  trans-63.9113.9175.8168.7-99.5000109.6V5 P9 N12 V36 I259V5-Y7 PolarHBondContact O-N 2.9Å; Y7-P9 HydrophobicContact CD1-CG 4.29Å; Y7-P9 HydrophobicContact CE1-CB 4.38Å; Y7-P9 HydrophobicContact CE1-CG 3.75Å; Y7-N12 HydrophobicContact CE2-CB 4.09Å; Y7-V36 HydrophobicContact CE2-CG1 3.91Å; Y7-V36 HydrophobicContact CE2-CG2 3.84Å; Y7-I259 VanDerWaalsContact CB-CG2 3.47Å; Y7-I259 HydrophobicContact CG-CG2 4.2Å
8D87Confident76.3Confident68 Ų6894.5 Ų94.536%0.36448%0.479SS..  trans-102.4112.6172.4178.97.2000110.1F6 K10 Q11 N12F6-D8 PolarHBondContact O-N 2.88Å; F6-D8 VanDerWaalsContact O-N 3.09Å; D8-K10 PolarHBondContact O-N 3.29Å; D8-K10 WeakPolarHBondContact OD1-CB 3.32Å; D8-K10 PolarHBondContact OD1-N 2.72Å; D8-Q11 HydrophobicContact CB-CB 3.87Å; D8-Q11 PolarHBondContact O-N 2.96Å; D8-Q11 PolarHBondContact OD2-N 3.09Å; D8-N12 PolarHBondContact O-N 3.29Å
9P88Confident77.3Confident69 Ų6989.6 Ų89.645%0.44845%0.454SS..Hα-helixtrans-54.5-35.6174.7-24.331.9000113.9Y7 N12 I13Y7-P9 HydrophobicContact CD1-CG 4.29Å; Y7-P9 HydrophobicContact CE1-CB 4.38Å; Y7-P9 HydrophobicContact CE1-CG 3.75Å; P9-N12 PolarHBondContact O-N 3.48Å; P9-I13 WeakPolarHBondContact O-CG1 3.37Å; P9-I13 PolarHBondContact O-N 2.99Å
10K90.7Very high78.3Confident154 Ų15485.4 Ų85.467%0.6743%0.433SS*.Hα-helixtrans-69-48.7-179.8-68.1-178.2180177.60110.9D8 N12 I13 E14D8-K10 PolarHBondContact O-N 3.29Å; D8-K10 WeakPolarHBondContact OD1-CB 3.32Å; D8-K10 PolarHBondContact OD1-N 2.72Å; K10-N12 VanDerWaalsContact C-N 3.25Å; K10-N12 PolarHBondContact O-N 2.88Å; K10-I13 PolarHBondContact O-N 3.45Å; K10-I13 VanDerWaalsContact O-N 3.13Å; K10-E14 PolarHBondContact O-N 3.3Å
11Q91.8Very high79.1Confident91 Ų9187.7 Ų87.743%0.42544%0.44SS..Hα-helixtrans-59.3-37.8174.7-168.5-177.639.800111.8D8 E14 R15D8-Q11 HydrophobicContact CB-CB 3.87Å; D8-Q11 PolarHBondContact O-N 2.96Å; D8-Q11 PolarHBondContact OD2-N 3.09Å; Q11-E14 PolarHBondContact O-N 3.28Å; Q11-R15 VanDerWaalsContact O-CG 3.25Å; Q11-R15 WeakPolarHBondContact O-CG 3.27Å; Q11-R15 PolarHBondContact O-N 2.99Å
12N93.7Very high82Confident6 Ų678.8 Ų78.83%0.03240%0.396CS..Hα-helixtrans-60.3-49.6174179.269.8000111.2Y7 D8 P9 K10 E14 R15 I16 R35 V36 L37Y7-N12 HydrophobicContact CE2-CB 4.09Å; D8-N12 PolarHBondContact O-N 3.29Å; P9-N12 PolarHBondContact O-N 3.48Å; K10-N12 VanDerWaalsContact C-N 3.25Å; K10-N12 PolarHBondContact O-N 2.88Å; N12-E14 VanDerWaalsContact C-N 3.33Å; N12-E14 PolarHBondContact O-N 3.47Å; N12-R15 PolarHBondContact O-N 3.49Å; N12-I16 WeakPolarHBondContact O-CG1 3.3Å; N12-I16 PolarHBondContact O-N 2.97Å; N12-R35 PolarHBondContact ND2-O 2.78Å; N12-V36 WeakPolarHBondContact OD1-CA 3.44Å; N12-L37 PolarHBondContact OD1-N 2.87Å
13I94Very high84.7Confident67 Ų6772 Ų7234%0.34436%0.359SS..Hα-helixtrans-57.7-45.5177.8-70.5165.9000111.3P9 K10 R15 I16 F17P9-I13 WeakPolarHBondContact O-CG1 3.37Å; P9-I13 PolarHBondContact O-N 2.99Å; K10-I13 PolarHBondContact O-N 3.45Å; K10-I13 VanDerWaalsContact O-N 3.13Å; I13-R15 VanDerWaalsContact C-N 3.34Å; I13-R15 PolarHBondContact O-N 3.18Å; I13-I16 PolarHBondContact O-N 3.39Å; I13-F17 HydrophobicContact CG2-CD2 3.79Å; I13-F17 HydrophobicContact CG2-CE2 3.28Å; I13-F17 HydrophobicContact CG2-CZ 3.9Å; I13-F17 WeakPolarHBondContact O-CD2 3.35Å; I13-F17 PolarHBondContact O-N 2.99Å
14E94Very high87.4Confident123 Ų12368.1 Ų68.158%0.57535%0.354SS*.Hα-helixtrans-58.6-44.3177.1-71.9175.4-178.600112.2K10 Q11 N12 I16 F17 E18K10-E14 PolarHBondContact O-N 3.3Å; Q11-E14 PolarHBondContact O-N 3.28Å; N12-E14 VanDerWaalsContact C-N 3.33Å; N12-E14 PolarHBondContact O-N 3.47Å; E14-I16 VanDerWaalsContact C-N 3.34Å; E14-I16 PolarHBondContact O-N 3.11Å; E14-F17 WeakPolarHBondContact O-CB 3.37Å; E14-F17 PolarHBondContact O-N 3.42Å; E14-E18 PolarHBondContact O-N 3.02Å; E14-E18 VanDerWaalsContact O-N 3.09Å
15R94.9Very high89.8Confident53 Ų5367.2 Ų67.220%0.234%0.336CS..Hα-helixtrans-63.5-39.1176.4-68.8169.563.9-126.6-0.5112.1Q11 N12 I13 F17 E18 V19 L37 P262Q11-R15 VanDerWaalsContact O-CG 3.25Å; Q11-R15 WeakPolarHBondContact O-CG 3.27Å; Q11-R15 PolarHBondContact O-N 2.99Å; N12-R15 PolarHBondContact O-N 3.49Å; I13-R15 VanDerWaalsContact C-N 3.34Å; I13-R15 PolarHBondContact O-N 3.18Å; R15-F17 VanDerWaalsContact C-N 3.32Å; R15-F17 PolarHBondContact O-N 3.2Å; R15-E18 PolarHBondContact O-N 3.4Å; R15-V19 WeakPolarHBondContact O-CG2 3.46Å; R15-V19 PolarHBondContact O-N 3.44Å; R15-L37 HydrophobicContact CB-CD2 3.94Å; R15-L37 PolarHBondContact NH1-O 3.01Å; R15-L37 PolarHBondContact NH2-O 3.39Å; R15-P262 VanDerWaalsContact NH1-CB 3.25Å
16I96.2Very high91.7Very high2 Ų267.2 Ų67.21%0.0134%0.337CS..Hα-helixtrans-62.6-40.8174.6-62.5-176.4000110.8N12 I13 E14 E18 V19 E20 L30 V31 R35 L37 F59N12-I16 WeakPolarHBondContact O-CG1 3.3Å; N12-I16 PolarHBondContact O-N 2.97Å; I13-I16 PolarHBondContact O-N 3.39Å; E14-I16 VanDerWaalsContact C-N 3.34Å; E14-I16 PolarHBondContact O-N 3.11Å; I16-E18 VanDerWaalsContact C-N 3.29Å; I16-E18 PolarHBondContact O-N 3.45Å; I16-V19 WeakPolarHBondContact O-CB 3.29Å; I16-V19 PolarHBondContact O-N 3.17Å; I16-V19 VanDerWaalsContact O-N 3.11Å; I16-E20 PolarHBondContact O-N 3.05Å; I16-L30 HydrophobicContact CG2-CB 3.66Å; I16-V31 HydrophobicContact CB-CG2 4.38Å; I16-V31 HydrophobicContact CG2-CG2 3.81Å; I16-R35 HydrophobicContact CD1-CG 4.43Å; I16-L37 HydrophobicContact CG1-CB 4.15Å; I16-F59 HydrophobicContact CD1-CD1 4.4Å; I16-F59 HydrophobicContact CD1-CE1 4.13Å; I16-F59 HydrophobicContact CG1-CE1 3.87Å; I16-F59 HydrophobicContact CG2-CE1 4.24Å
17F95.6Very high92.9Very high57 Ų5763.4 Ų63.425%0.2533%0.333CS..Hα-helixtrans-61.6-35.8175.1-72.8-46.6000112.9I13 E14 R15 V19 E20 K21 N28 V31I13-F17 HydrophobicContact CG2-CD2 3.79Å; I13-F17 HydrophobicContact CG2-CE2 3.28Å; I13-F17 HydrophobicContact CG2-CZ 3.9Å; I13-F17 WeakPolarHBondContact O-CD2 3.35Å; I13-F17 PolarHBondContact O-N 2.99Å; E14-F17 WeakPolarHBondContact O-CB 3.37Å; E14-F17 PolarHBondContact O-N 3.42Å; R15-F17 VanDerWaalsContact C-N 3.32Å; R15-F17 PolarHBondContact O-N 3.2Å; F17-V19 VanDerWaalsContact C-N 3.34Å; F17-E20 VanDerWaalsContact CD1-OE2 3.29Å; F17-E20 WeakPolarHBondContact CD1-OE2 3.44Å; F17-E20 WeakPolarHBondContact O-CB 3.38Å; F17-E20 PolarHBondContact O-N 3.34Å; F17-K21 WeakPolarHBondContact O-CG 3.29Å; F17-K21 PolarHBondContact O-N 3.25Å; F17-N28 VanDerWaalsContact CE1-OD1 3.3Å; F17-N28 WeakPolarHBondContact CE1-OD1 3.36Å; F17-N28 VanDerWaalsContact CZ-OD1 3.27Å; F17-N28 WeakPolarHBondContact CZ-OD1 3.47Å; F17-V31 HydrophobicContact CD1-CG2 4.23Å; F17-V31 HydrophobicContact CE1-CG2 3.77Å; F17-V31 HydrophobicContact CZ-CG2 4.13Å
18E94.4Very high93.5Very high100 Ų10064.8 Ų64.847%0.46734%0.344SS..Hα-helixtrans-63.9-39.4173.3-65.3-52.2132.800111.8E14 R15 I16 E20 K21 L22E14-E18 PolarHBondContact O-N 3.02Å; E14-E18 VanDerWaalsContact O-N 3.09Å; R15-E18 PolarHBondContact O-N 3.4Å; I16-E18 VanDerWaalsContact C-N 3.29Å; I16-E18 PolarHBondContact O-N 3.45Å; E18-E20 PolarHBondContact O-N 3.43Å; E18-K21 PolarHBondContact O-N 2.89Å; E18-K21 IonicContact OE1-NZ 2.69Å; E18-K21 PolarHBondContact OE1-NZ 3.21Å; E18-K21 IonicContact OE2-NZ 3.82Å; E18-L22 WeakPolarHBondContact O-CG 3.5Å; E18-L22 PolarHBondContact O-N 3.23Å
19V95.6Very high93.8Very high2 Ų264 Ų641%0.01234%0.337CS..Hα-helixtrans-61.7-43.2172.8-174.30000111.4R15 I16 F17 K21 L22 F23 L30 L37 F57 F59R15-V19 WeakPolarHBondContact O-CG2 3.46Å; R15-V19 PolarHBondContact O-N 3.44Å; I16-V19 WeakPolarHBondContact O-CB 3.29Å; I16-V19 PolarHBondContact O-N 3.17Å; I16-V19 VanDerWaalsContact O-N 3.11Å; F17-V19 VanDerWaalsContact C-N 3.34Å; V19-K21 VanDerWaalsContact C-N 3.34Å; V19-K21 PolarHBondContact O-N 3.32Å; V19-L22 PolarHBondContact O-N 2.98Å; V19-F23 HydrophobicContact CG1-CD2 3.98Å; V19-F23 HydrophobicContact CG1-CE2 4.03Å; V19-F23 WeakPolarHBondContact O-CD2 3.42Å; V19-F23 PolarHBondContact O-N 3.13Å; V19-L30 HydrophobicContact CB-CD1 4.4Å; V19-L30 HydrophobicContact CG1-CD1 4Å; V19-L37 HydrophobicContact CG2-CD1 4.48Å; V19-L37 HydrophobicContact CG2-CD2 3.83Å; V19-F57 HydrophobicContact CB-CD1 4.2Å; V19-F57 HydrophobicContact CB-CE1 4.21Å; V19-F57 HydrophobicContact CG1-CB 4.48Å; V19-F57 HydrophobicContact CG1-CD1 3.72Å; V19-F57 HydrophobicContact CG1-CD2 4.12Å; V19-F57 HydrophobicContact CG1-CE1 3.85Å; V19-F57 HydrophobicContact CG1-CE2 4.3Å; V19-F57 HydrophobicContact CG1-CG 3.84Å; V19-F57 HydrophobicContact CG1-CZ 4.17Å; V19-F57 HydrophobicContact CG2-CD1 3.4Å; V19-F57 HydrophobicContact CG2-CE1 3.57Å; V19-F57 HydrophobicContact CG2-CG 4.26Å; V19-F59 HydrophobicContact CB-CZ 4.41Å; V19-F59 HydrophobicContact CG1-CZ 4.15Å; V19-F59 HydrophobicContact CG2-CZ 4.33Å
20E96.6Very high94.1Very high4 Ų460.9 Ų60.92%0.01932%0.317CS..Hα-helixtrans-59-44.6176.3-70.8179.5172.500111.9I16 F17 E18 L22 F23 G24 F25 S27 N28 K29 L30I16-E20 PolarHBondContact O-N 3.05Å; F17-E20 VanDerWaalsContact CD1-OE2 3.29Å; F17-E20 WeakPolarHBondContact CD1-OE2 3.44Å; F17-E20 WeakPolarHBondContact O-CB 3.38Å; F17-E20 PolarHBondContact O-N 3.34Å; E18-E20 PolarHBondContact O-N 3.43Å; E20-L22 PolarHBondContact O-N 2.96Å; E20-F23 PolarHBondContact O-N 3.49Å; E20-G24 PolarHBondContact O-N 3.09Å; E20-F25 HydrophobicContact CB-CB 4.09Å; E20-F25 HydrophobicContact CG-CB 4.3Å; E20-F25 PolarHBondContact O-N 3.45Å; E20-S27 VanDerWaalsContact OE2-CA 3.32Å; E20-S27 WeakPolarHBondContact OE2-CA 3.32Å; E20-N28 VanDerWaalsContact OE1-C 3.28Å; E20-N28 WeakPolarHBondContact OE1-CA 3.25Å; E20-N28 PolarHBondContact OE1-N 2.83Å; E20-N28 PolarHBondContact OE2-N 2.98Å; E20-K29 PolarHBondContact OE1-N 3.22Å; E20-L30 HydrophobicContact CG-CB 4.04Å; E20-L30 HydrophobicContact CG-CD1 3.93Å; E20-L30 HydrophobicContact CG-CG 3.88Å; E20-L30 PolarHBondContact OE1-N 3.31Å
21K94.9Very high94.1Very high135 Ų13555.3 Ų55.359%0.58730%0.296SS*.Hα-helixtrans-60.8-43.6176.3-71.2172.1-171.6168.70111.9F17 E18 V19 F23 G24F17-K21 WeakPolarHBondContact O-CG 3.29Å; F17-K21 PolarHBondContact O-N 3.25Å; E18-K21 PolarHBondContact O-N 2.89Å; E18-K21 IonicContact OE1-NZ 2.69Å; E18-K21 PolarHBondContact OE1-NZ 3.21Å; E18-K21 IonicContact OE2-NZ 3.82Å; V19-K21 VanDerWaalsContact C-N 3.34Å; V19-K21 PolarHBondContact O-N 3.32Å; K21-F23 VanDerWaalsContact C-N 3.27Å; K21-F23 PolarHBondContact O-N 3.02Å; K21-G24 PolarHBondContact O-N 3.35Å; K21-G24 VanDerWaalsContact O-N 3.09Å
22L95Very high94Very high38 Ų3853.5 Ų53.520%0.19929%0.291CS..Hα-helixtrans-58.3-39.5178.8-72.6173000112E18 V19 E20 F57 L75E18-L22 WeakPolarHBondContact O-CG 3.5Å; E18-L22 PolarHBondContact O-N 3.23Å; V19-L22 PolarHBondContact O-N 2.98Å; E20-L22 PolarHBondContact O-N 2.96Å; L22-F57 HydrophobicContact CD1-CE1 4.06Å; L22-F57 HydrophobicContact CD1-CZ 3.75Å; L22-L75 HydrophobicContact CB-CD1 4.06Å; L22-L75 HydrophobicContact CB-CG 4.18Å; L22-L75 HydrophobicContact CD1-CD1 4.42Å; L22-L75 PolarHBondContact O-N 3.2Å
23F95.6Very high93.5Very high16 Ų1658.6 Ų58.67%0.0733%0.327CS..Hα-helixtrans-87.1-8.4177.6-77.3-74.2000114.6V19 E20 K21 F25 F57 I64 L75 P78V19-F23 HydrophobicContact CG1-CD2 3.98Å; V19-F23 HydrophobicContact CG1-CE2 4.03Å; V19-F23 WeakPolarHBondContact O-CD2 3.42Å; V19-F23 PolarHBondContact O-N 3.13Å; E20-F23 PolarHBondContact O-N 3.49Å; K21-F23 VanDerWaalsContact C-N 3.27Å; K21-F23 PolarHBondContact O-N 3.02Å; F23-F25 VanDerWaalsContact C-N 3.32Å; F23-F25 HydrophobicContact CB-CD1 3.9Å; F23-F25 HydrophobicContact CB-CD2 3.64Å; F23-F25 HydrophobicContact CB-CE1 3.73Å; F23-F25 HydrophobicContact CB-CE2 3.45Å; F23-F25 VanDerWaalsContact CB-CE2 3.45Å; F23-F25 HydrophobicContact CB-CG 3.87Å; F23-F25 HydrophobicContact CB-CZ 3.5Å; F23-F25 HydrophobicContact CD1-CZ 4.18Å; F23-F25 HydrophobicContact CD2-CD2 4.5Å; F23-F25 AromaticContact CD2-CE2 3.87Å; F23-F25 HydrophobicContact CD2-CE2 3.87Å; F23-F25 HydrophobicContact CD2-CZ 4.31Å; F23-F25 HydrophobicContact CG-CD2 4.35Å; F23-F25 HydrophobicContact CG-CE1 4.41Å; F23-F25 AromaticContact CG-CE2 3.73Å; F23-F25 HydrophobicContact CG-CE2 3.73Å; F23-F25 AromaticContact CG-CZ 3.77Å; F23-F25 HydrophobicContact CG-CZ 3.77Å; F23-F57 AromaticContact CE2-CD2 3.86Å; F23-F57 HydrophobicContact CE2-CD2 3.86Å; F23-F57 AromaticContact CE2-CE2 3.62Å; F23-F57 HydrophobicContact CE2-CE2 3.62Å; F23-F57 HydrophobicContact CE2-CZ 4.43Å; F23-F57 HydrophobicContact CZ-CD2 4.33Å; F23-F57 HydrophobicContact CZ-CE2 4.06Å; F23-I64 HydrophobicContact CE2-CG2 3.82Å; F23-I64 HydrophobicContact CZ-CG2 3.85Å; F23-L75 HydrophobicContact CD1-CB 3.61Å; F23-L75 HydrophobicContact CD2-CB 4.49Å; F23-L75 HydrophobicContact CD2-CD1 4.23Å; F23-L75 HydrophobicContact CE1-CB 3.53Å; F23-L75 HydrophobicContact CE1-CD1 4.11Å; F23-L75 HydrophobicContact CE1-CG 4.49Å; F23-L75 HydrophobicContact CE2-CB 4.41Å; F23-L75 HydrophobicContact CE2-CD1 3.69Å; F23-L75 HydrophobicContact CG-CB 4.12Å; F23-L75 HydrophobicContact CZ-CB 3.96Å; F23-L75 HydrophobicContact CZ-CD1 3.63Å; F23-L75 HydrophobicContact CZ-CG 4.46Å; F23-P78 HydrophobicContact CD1-CB 3.7Å; F23-P78 HydrophobicContact CD1-CG 4.38Å; F23-P78 HydrophobicContact CE1-CB 3.69Å; F23-P78 HydrophobicContact CG-CB 4.48Å; F23-P78 HydrophobicContact CZ-CB 4.5Å
24G93.9Very high93.2Very high65 Ų6561.8 Ų61.867%0.6735%0.345SS*.THydrogen-bonded Turntrans67.932-172.900000112.9E20 K21E20-G24 PolarHBondContact O-N 3.09Å; K21-G24 PolarHBondContact O-N 3.35Å; K21-G24 VanDerWaalsContact O-N 3.09Å
25F95.8Very high93.2Very high33 Ų3356.5 Ų56.515%0.14532%0.32CS..PPolyproline II helixtrans-75.5149.9175.2-65.6-28.3000111.6E20 F23 K29 L30 P78 F80E20-F25 HydrophobicContact CB-CB 4.09Å; E20-F25 HydrophobicContact CG-CB 4.3Å; E20-F25 PolarHBondContact O-N 3.45Å; F23-F25 VanDerWaalsContact C-N 3.32Å; F23-F25 HydrophobicContact CB-CD1 3.9Å; F23-F25 HydrophobicContact CB-CD2 3.64Å; F23-F25 HydrophobicContact CB-CE1 3.73Å; F23-F25 HydrophobicContact CB-CE2 3.45Å; F23-F25 VanDerWaalsContact CB-CE2 3.45Å; F23-F25 HydrophobicContact CB-CG 3.87Å; F23-F25 HydrophobicContact CB-CZ 3.5Å; F23-F25 HydrophobicContact CD1-CZ 4.18Å; F23-F25 HydrophobicContact CD2-CD2 4.5Å; F23-F25 AromaticContact CD2-CE2 3.87Å; F23-F25 HydrophobicContact CD2-CE2 3.87Å; F23-F25 HydrophobicContact CD2-CZ 4.31Å; F23-F25 HydrophobicContact CG-CD2 4.35Å; F23-F25 HydrophobicContact CG-CE1 4.41Å; F23-F25 AromaticContact CG-CE2 3.73Å; F23-F25 HydrophobicContact CG-CE2 3.73Å; F23-F25 AromaticContact CG-CZ 3.77Å; F23-F25 HydrophobicContact CG-CZ 3.77Å; F25-K29 HydrophobicContact CB-CB 4.13Å; F25-K29 HydrophobicContact CB-CD 3.6Å; F25-K29 HydrophobicContact CD1-CD 3.65Å; F25-K29 HydrophobicContact CD2-CD 3.79Å; F25-K29 HydrophobicContact CE1-CD 4.22Å; F25-K29 HydrophobicContact CE2-CD 4.36Å; F25-K29 HydrophobicContact CG-CD 3.41Å; F25-K29 VanDerWaalsContact CG-CD 3.41Å; F25-L30 HydrophobicContact CD2-CD1 3.96Å; F25-L30 HydrophobicContact CD2-CD2 4.38Å; F25-L30 HydrophobicContact CD2-CG 4.08Å; F25-L30 HydrophobicContact CE2-CD1 4.08Å; F25-L30 HydrophobicContact CE2-CD2 4.28Å; F25-L30 HydrophobicContact CE2-CG 4.37Å; F25-P78 HydrophobicContact CE1-CB 4.23Å; F25-P78 HydrophobicContact CE1-CG 3.89Å; F25-P78 HydrophobicContact CZ-CB 3.64Å; F25-P78 HydrophobicContact CZ-CG 3.83Å; F25-F80 HydrophobicContact CE2-CZ 4.09Å; F25-F80 HydrophobicContact CZ-CE2 4.29Å; F25-F80 AromaticContact CZ-CZ 3.78Å; F25-F80 HydrophobicContact CZ-CZ 3.78Å
26P94.1Very high93.2Very high90 Ų9055 Ų5558%0.58432%0.316SS*.PPolyproline II helixtrans-59.8148.9166.226.8-34.2000110.1K29P26-K29 HydrophobicContact CG-CB 4.26Å; P26-K29 VanDerWaalsContact O-CB 3.29Å; P26-K29 WeakPolarHBondContact O-CB 3.49Å; P26-K29 PolarHBondContact O-N 2.91Å
27S90.9Very high93.2Very high94 Ų9454.9 Ų54.966%0.65732%0.316SS*.THydrogen-bonded Turntrans-57.1140.1179-56.80000111.9E20 K29E20-S27 VanDerWaalsContact OE2-CA 3.32Å; E20-S27 WeakPolarHBondContact OE2-CA 3.32Å; S27-K29 PolarHBondContact O-N 3.12Å
28N90.8Very high93.2Very high94 Ų9452.2 Ų52.250%0.50330%0.304SS..THydrogen-bonded Turntrans68.913.1-178.8-49.3-65000114.9F17 E20 L30 V31F17-N28 VanDerWaalsContact CE1-OD1 3.3Å; F17-N28 WeakPolarHBondContact CE1-OD1 3.36Å; F17-N28 VanDerWaalsContact CZ-OD1 3.27Å; F17-N28 WeakPolarHBondContact CZ-OD1 3.47Å; E20-N28 VanDerWaalsContact OE1-C 3.28Å; E20-N28 WeakPolarHBondContact OE1-CA 3.25Å; E20-N28 PolarHBondContact OE1-N 2.83Å; E20-N28 PolarHBondContact OE2-N 2.98Å; N28-L30 VanDerWaalsContact C-N 3.29Å; N28-L30 PolarHBondContact O-N 3.27Å; N28-V31 HydrophobicContact CB-CB 4.41Å
29K92.9Very high93.2Very high50 Ų5047.4 Ų47.422%0.21728%0.282CS..SBendtrans-60.9-39.7174-173-170.3-178.272.40112.1E20 F25 P26 S27E20-K29 PolarHBondContact OE1-N 3.22Å; F25-K29 HydrophobicContact CB-CB 4.13Å; F25-K29 HydrophobicContact CB-CD 3.6Å; F25-K29 HydrophobicContact CD1-CD 3.65Å; F25-K29 HydrophobicContact CD2-CD 3.79Å; F25-K29 HydrophobicContact CE1-CD 4.22Å; F25-K29 HydrophobicContact CE2-CD 4.36Å; F25-K29 HydrophobicContact CG-CD 3.41Å; F25-K29 VanDerWaalsContact CG-CD 3.41Å; P26-K29 HydrophobicContact CG-CB 4.26Å; P26-K29 VanDerWaalsContact O-CB 3.29Å; P26-K29 WeakPolarHBondContact O-CB 3.49Å; P26-K29 PolarHBondContact O-N 2.91Å; S27-K29 PolarHBondContact O-N 3.12Å
30L94.2Very high93.3Very high4 Ų449.1 Ų49.12%0.02129%0.29CS..SBendtrans-100.3-19.6-176.1-60.9-176.5000112.4I16 V19 E20 F25 N28 T32 R35 F59 I64 F80I16-L30 HydrophobicContact CG2-CB 3.66Å; V19-L30 HydrophobicContact CB-CD1 4.4Å; V19-L30 HydrophobicContact CG1-CD1 4Å; E20-L30 HydrophobicContact CG-CB 4.04Å; E20-L30 HydrophobicContact CG-CD1 3.93Å; E20-L30 HydrophobicContact CG-CG 3.88Å; E20-L30 PolarHBondContact OE1-N 3.31Å; F25-L30 HydrophobicContact CD2-CD1 3.96Å; F25-L30 HydrophobicContact CD2-CD2 4.38Å; F25-L30 HydrophobicContact CD2-CG 4.08Å; F25-L30 HydrophobicContact CE2-CD1 4.08Å; F25-L30 HydrophobicContact CE2-CD2 4.28Å; F25-L30 HydrophobicContact CE2-CG 4.37Å; N28-L30 VanDerWaalsContact C-N 3.29Å; N28-L30 PolarHBondContact O-N 3.27Å; L30-T32 PolarHBondContact O-N 3.09Å; L30-R35 VanDerWaalsContact O-CD 3.32Å; L30-R35 WeakPolarHBondContact O-CD 3.32Å; L30-R35 PolarHBondContact O-NH1 2.89Å; L30-F59 HydrophobicContact CD1-CZ 4.05Å; L30-I64 HydrophobicContact CD1-CD1 3.91Å; L30-I64 HydrophobicContact CD2-CD1 3.67Å; L30-I64 HydrophobicContact CG-CD1 4.45Å; L30-F80 HydrophobicContact CD2-CE1 3.96Å; L30-F80 HydrophobicContact CD2-CZ 4.5Å
31V91.2Very high93.2Very high37 Ų3749 Ų4922%0.22429%0.289CS..  trans-69.9120.5179.9-178.20000110.4I16 F17 N28I16-V31 HydrophobicContact CB-CG2 4.38Å; I16-V31 HydrophobicContact CG2-CG2 3.81Å; F17-V31 HydrophobicContact CD1-CG2 4.23Å; F17-V31 HydrophobicContact CE1-CG2 3.77Å; F17-V31 HydrophobicContact CZ-CG2 4.13Å; N28-V31 HydrophobicContact CB-CB 4.41Å
32T90Very high93.2Very high54 Ų5443 Ų4333%0.33126%0.264SS..  trans-134.8164.5169.871.70000109.3L30 N34 R35L30-T32 PolarHBondContact O-N 3.09Å; T32-N34 PolarHBondContact O-N 3.36Å; T32-N34 VanDerWaalsContact O-N 3.12Å; T32-R35 PolarHBondContact O-N 2.99Å; T32-R35 WeakPolarHBondContact OG1-CB 3.13Å
33S82.9Confident93.3Very high113 Ų11341.3 Ų41.379%0.7926%0.255SS*.THydrogen-bonded Turntrans-58.5-29.4-17058.20000115
34N87.5Confident93.3Very high133 Ų13342.3 Ų42.371%0.71126%0.263SS*.THydrogen-bonded Turntrans-123.45.8-173-62.7-38.7000113.7T32T32-N34 PolarHBondContact O-N 3.36Å; T32-N34 VanDerWaalsContact O-N 3.12Å
35R94.3Very high93.4Very high13 Ų1340.1 Ų40.15%0.04924%0.235CC..  trans-81.3124.3-177.8179.9173.9-68.3152.3-2.4111N12 I16 L30 T32 F59 D61N12-R35 PolarHBondContact ND2-O 2.78Å; I16-R35 HydrophobicContact CD1-CG 4.43Å; L30-R35 VanDerWaalsContact O-CD 3.32Å; L30-R35 WeakPolarHBondContact O-CD 3.32Å; L30-R35 PolarHBondContact O-NH1 2.89Å; T32-R35 PolarHBondContact O-N 2.99Å; T32-R35 WeakPolarHBondContact OG1-CB 3.13Å; R35-F59 VanDerWaalsContact CD-CD1 3.49Å; R35-F59 HydrophobicContact CG-CB 3.88Å; R35-F59 HydrophobicContact CG-CD1 3.56Å; R35-F59 HydrophobicContact CG-CE1 4.45Å; R35-F59 HydrophobicContact CG-CG 4.09Å; R35-D61 WeakPolarHBondContact CG-OD1 3.33Å; R35-D61 IonicContact CZ-OD1 2.75Å; R35-D61 IonicContact CZ-OD2 2.85Å; R35-D61 IonicContact NE-OD1 3.8Å; R35-D61 PolarHBondContact NE-OD1 3.29Å; R35-D61 IonicContact NE-OD2 3.6Å; R35-D61 PolarHBondContact NE-OD2 2.83Å; R35-D61 VanDerWaalsContact NE-OD2 3.16Å; R35-D61 IonicContact NH2-OD1 3.79Å; R35-D61 IonicContact NH2-OD2 2.72Å; R35-D61 PolarHBondContact NH2-OD2 2.9Å
36V95.3Very high93.4Very high20 Ų2040.3 Ų40.312%0.12124%0.237CC..  trans-112.8130.8177.2179.80000109.7Y7 N12 V38 F59 S60Y7-V36 HydrophobicContact CE2-CG1 3.91Å; Y7-V36 HydrophobicContact CE2-CG2 3.84Å; N12-V36 WeakPolarHBondContact OD1-CA 3.44Å; V36-V38 PolarHBondContact O-N 3.06Å; V36-F59 CarbonylContact O-C 3.49Å; V36-F59 WeakPolarHBondContact O-CA 3.13Å; V36-S60 PolarHBondContact N-OG 3.22Å; V36-S60 PolarHBondContact O-N 2.89Å
37L96.4Very high93.2Very high1 Ų137 Ų371%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-78.2100.9167.8-179.765.2000109N12 R15 I16 V19 F57 F59N12-L37 PolarHBondContact OD1-N 2.87Å; R15-L37 HydrophobicContact CB-CD2 3.94Å; R15-L37 PolarHBondContact NH1-O 3.01Å; R15-L37 PolarHBondContact NH2-O 3.39Å; I16-L37 HydrophobicContact CG1-CB 4.15Å; V19-L37 HydrophobicContact CG2-CD1 4.48Å; V19-L37 HydrophobicContact CG2-CD2 3.83Å; L37-F57 HydrophobicContact CD1-CB 4.05Å; L37-F57 HydrophobicContact CD1-CD1 4.39Å; L37-F59 HydrophobicContact CB-CD1 4.15Å; L37-F59 HydrophobicContact CB-CE1 4.12Å; L37-F59 HydrophobicContact CD1-CD1 4.09Å; L37-F59 HydrophobicContact CD1-CD2 4.28Å; L37-F59 HydrophobicContact CD1-CE1 3.9Å; L37-F59 HydrophobicContact CD1-CE2 4Å; L37-F59 HydrophobicContact CD1-CG 4.32Å; L37-F59 HydrophobicContact CD1-CZ 3.83Å
38V95.9Very high93Very high0 Ų035.2 Ų35.20%020%0.195CC..EExtended strand (participates in β ladder)trans-73.7-43.7-175.5171.10000111.5V36 L58 H126 I260 P262 T263V36-V38 PolarHBondContact O-N 3.06Å; V38-L58 WeakPolarHBondContact CA-O 3.48Å; V38-L58 HydrophobicContact CB-CB 4.37Å; V38-L58 HydrophobicContact CB-CD2 4.23Å; V38-L58 HydrophobicContact CB-CG 4.02Å; V38-L58 WeakPolarHBondContact CB-O 3.45Å; V38-L58 HydrophobicContact CG1-CD2 3.86Å; V38-L58 HydrophobicContact CG1-CG 4.23Å; V38-L58 PolarHBondContact N-O 3.26Å; V38-H126 HydrophobicContact CG1-CB 3.88Å; V38-I260 HydrophobicContact CB-CG2 3.73Å; V38-I260 HydrophobicContact CG1-CG2 3.26Å; V38-I260 HydrophobicContact CG2-CB 4.22Å; V38-I260 HydrophobicContact CG2-CD1 3.88Å; V38-I260 HydrophobicContact CG2-CG2 3.46Å; V38-I260 VanDerWaalsContact CG2-CG2 3.46Å; V38-P262 WeakPolarHBondContact O-CA 3.34Å; V38-T263 PolarHBondContact O-N 2.93Å
39G94.3Very high92.8Very high0 Ų038.4 Ų38.40%020%0.2CC..EExtended strand (participates in β ladder)trans-174.4166.518000000112.7L58 T263G39-L58 PolarHBondContact N-O 2.82Å; G39-L58 PolarHBondContact O-N 2.76Å; G39-T263 WeakPolarHBondContact CA-O 3.42Å
40E96.4Very high92.7Very high38 Ų3838.1 Ų38.118%0.17820%0.198CC..EExtended strand (participates in β ladder)trans-143159.7178.271.1-171.4155.600110.1H55 F56 F57 Y264 L265E40-H55 IonicContact OE2-NE2 3.99Å; E40-F56 CarbonylContact C-O 3.57Å; E40-F56 WeakPolarHBondContact CA-O 3.47Å; E40-F56 WeakPolarHBondContact CB-O 3.14Å; E40-F57 HydrophobicContact CB-CD1 3.71Å; E40-F57 HydrophobicContact CB-CE1 4.1Å; E40-F57 HydrophobicContact CB-CG 4.39Å; E40-F57 WeakPolarHBondContact OE2-CD1 3.33Å; E40-F57 WeakPolarHBondContact OE2-CE1 3.3Å; E40-Y264 HydrophobicContact CG-CD2 3.71Å; E40-Y264 HydrophobicContact CG-CE2 3.8Å; E40-Y264 WeakPolarHBondContact OE1-CD2 3.41Å; E40-Y264 WeakPolarHBondContact OE1-CE2 3.43Å; E40-L265 CarbonylContact O-C 3.53Å; E40-L265 WeakPolarHBondContact O-CA 3.39Å; E40-L265 WeakPolarHBondContact O-CB 2.98Å; E40-L265 PolarHBondContact O-N 3.31Å
41G94.8Very high92.6Very high1 Ų139.2 Ų39.21%0.0121%0.206CC..EExtended strand (participates in β ladder)trans173.2164.2-179.100000113.9F56 L265G41-F56 PolarHBondContact N-O 2.86Å; G41-F56 PolarHBondContact O-N 3.4Å; G41-L265 WeakPolarHBondContact CA-O 3.36Å
42V95.3Very high92.7Very high10 Ų1038.5 Ų38.56%0.06120%0.199CC..EExtended strand (participates in β ladder)trans-95.1122.6176.8179.30000109.7L53 R54 I68 V268V42-L53 HydrophobicContact CG1-CB 4.02Å; V42-L53 HydrophobicContact CG1-CD1 4.49Å; V42-L53 HydrophobicContact CG1-CD2 3.97Å; V42-L53 HydrophobicContact CG1-CG 4.37Å; V42-R54 WeakPolarHBondContact CA-O 3.43Å; V42-I68 HydrophobicContact CG1-CD1 3.91Å; V42-I68 HydrophobicContact CG2-CD1 3.81Å; V42-V268 HydrophobicContact CB-CG2 4Å; V42-V268 HydrophobicContact CG1-CG2 4.36Å
43L96.5Very high92.9Very high1 Ų136.8 Ų36.81%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-117.9149.1174.4-60.5171.5000110.8K45 R54 F56 F101 V112 A114 W123L43-K45 PolarHBondContact O-N 3.18Å; L43-R54 PolarHBondContact N-O 2.91Å; L43-R54 PolarHBondContact O-N 3.07Å; L43-F56 HydrophobicContact CB-CD2 3.75Å; L43-F56 HydrophobicContact CB-CE2 3.67Å; L43-F56 HydrophobicContact CD1-CD2 3.86Å; L43-F56 HydrophobicContact CD1-CE2 4.17Å; L43-F56 HydrophobicContact CD1-CG 4.09Å; L43-F56 HydrophobicContact CG-CD2 3.99Å; L43-F56 HydrophobicContact CG-CE2 4.35Å; L43-F101 HydrophobicContact CD1-CZ 3.78Å; L43-V112 HydrophobicContact CB-CB 4.12Å; L43-V112 HydrophobicContact CB-CG1 4.15Å; L43-V112 HydrophobicContact CD1-CB 4.18Å; L43-V112 HydrophobicContact CD1-CG1 4.39Å; L43-V112 HydrophobicContact CD1-CG2 4.1Å; L43-A114 HydrophobicContact CD2-CB 3.84Å; L43-W123 HydrophobicContact CD1-CD2 4.13Å; L43-W123 HydrophobicContact CD1-CG 4.47Å; L43-W123 HydrophobicContact CD1-CZ2 4.35Å
44T95.8Very high93.5Very high38 Ų3832.2 Ų32.223%0.23315%0.154CC..EExtended strand (participates in β ladder)trans-84.7105.6172.3-61.40000109.3P51 L53 V112 Y113T44-P51 HydrophobicContact CG2-CB 3.59Å; T44-L53 WeakPolarHBondContact OG1-CD2 3.43Å; T44-V112 CarbonylContact O-C 3.59Å; T44-V112 VanDerWaalsContact O-CA 3.26Å; T44-V112 WeakPolarHBondContact O-CA 3.17Å; T44-Y113 PolarHBondContact N-O 3Å; T44-Y113 PolarHBondContact O-N 3.25Å
45K96.6Very high93.9Very high19 Ų1926.7 Ų26.78%0.08312%0.123CC..EExtended strand (participates in β ladder)trans-85.9123.9177.8-177.6-178.5173.5-62.80110.7L43 C47 P51 K52 R54 Y65 F110 V112L43-K45 PolarHBondContact O-N 3.18Å; K45-C47 PolarHBondContact NZ-SG 3.26Å; K45-C47 VanDerWaalsContact NZ-SG 3.37Å; K45-C47 PolarHBondContact O-N 3.02Å; K45-P51 WeakPolarHBondContact O-CA 3.38Å; K45-K52 PolarHBondContact N-O 2.83Å; K45-K52 PolarHBondContact O-N 3.13Å; K45-R54 HydrophobicContact CB-CG 4.32Å; K45-R54 HydrophobicContact CD-CG 4.39Å; K45-Y65 HydrophobicContact CD-CE2 4.15Å; K45-F110 HydrophobicContact CD-CD2 4.17Å; K45-F110 HydrophobicContact CD-CE2 4.49Å; K45-F110 HydrophobicContact CD-CG 4.39Å; K45-F110 HydrophobicContact CG-CD2 4.01Å; K45-F110 HydrophobicContact CG-CG 4.43Å; K45-V112 HydrophobicContact CB-CG1 4.05Å; K45-V112 HydrophobicContact CG-CG1 4.33Å
46I94.3Very high94.1Very high37 Ų3726 Ų2619%0.1912%0.121CC..  trans-70.4118.4170.5-54.3-49000108.7P51 Y97 T111 Y113 P152I46-P51 HydrophobicContact CD1-CB 4.12Å; I46-P51 HydrophobicContact CD1-CG 4.01Å; I46-Y97 HydrophobicContact CD1-CD1 4.27Å; I46-Y97 HydrophobicContact CD1-CE1 4.01Å; I46-T111 HydrophobicContact CG1-CG2 4.3Å; I46-T111 PolarHBondContact N-O 3.07Å; I46-Y113 HydrophobicContact CD1-CD2 3.67Å; I46-Y113 HydrophobicContact CD1-CE2 3.62Å; I46-Y113 HydrophobicContact CG1-CD2 3.76Å; I46-Y113 HydrophobicContact CG1-CE2 3.43Å; I46-Y113 VanDerWaalsContact CG1-CE2 3.43Å; I46-P152 HydrophobicContact CG2-CG 4.09Å
47C90.8Very high94.2Very high21 Ų2125.1 Ų25.114%0.14212%0.115CC..  trans-112.3170.2173.8-53.70000109.2K45 R49 K50K45-C47 PolarHBondContact NZ-SG 3.26Å; K45-C47 VanDerWaalsContact NZ-SG 3.37Å; K45-C47 PolarHBondContact O-N 3.02Å; C47-R49 VanDerWaalsContact C-N 3.28Å; C47-R49 PolarHBondContact O-N 3.16Å; C47-K50 VanDerWaalsContact CB-O 3.31Å; C47-K50 WeakPolarHBondContact CB-O 3.34Å
48R86.2Confident94.3Very high56 Ų5625 Ų2521%0.21112%0.115CC..SBendtrans-55.8-39.3-173-60.6176.9-66.8153.6-7.7113.9W150 D153 D282R48-W150 VanDerWaalsContact CD-CE3 3.47Å; R48-W150 HydrophobicContact CG-CE3 4.1Å; R48-D153 PolarHBondContact O-N 2.83Å; R48-D282 IonicContact CZ-OD1 3.35Å; R48-D282 IonicContact NE-OD1 3.16Å; R48-D282 IonicContact NH2-OD1 2.71Å; R48-D282 PolarHBondContact NH2-OD1 2.71Å
49R87.5Confident94.3Very high161 Ų16125 Ų2561%0.60812%0.115SC*.SBendtrans-99.6-50.6-176.2-66-175.5-177160.42.4113.6C47C47-R49 VanDerWaalsContact C-N 3.28Å; C47-R49 PolarHBondContact O-N 3.16Å
50K89.7Confident94.4Very high43 Ų4326.1 Ų26.119%0.18712%0.122CC..SBendtrans-147.4149.3-177.464.5-176.3-175.2-179.30111C47 K52 E278C47-K50 VanDerWaalsContact CB-O 3.31Å; C47-K50 WeakPolarHBondContact CB-O 3.34Å; K50-K52 HydrophobicContact CG-CG 4.42Å; K50-E278 WeakPolarHBondContact CE-OE1 3.45Å; K50-E278 WeakPolarHBondContact CE-OE2 3.42Å; K50-E278 IonicContact NZ-OE1 3.21Å; K50-E278 PolarHBondContact NZ-OE1 3.1Å; K50-E278 IonicContact NZ-OE2 3.8Å
51P93.4Very high94.3Very high28 Ų2826.6 Ų26.618%0.18213%0.126CC..  trans-56.7146.4167.6-21.433000111.1T44 K45 I46 Y97T44-P51 HydrophobicContact CG2-CB 3.59Å; K45-P51 WeakPolarHBondContact O-CA 3.38Å; I46-P51 HydrophobicContact CD1-CB 4.12Å; I46-P51 HydrophobicContact CD1-CG 4.01Å; P51-Y97 HydrophobicContact CG-CE1 4.13Å
52K92.8Very high94.4Very high21 Ų2126.6 Ų26.69%0.09113%0.126CC..EExtended strand (participates in β ladder)trans-139.3141.3178.3-64.1-177.6173.81740110.7K45 K50 D280K45-K52 PolarHBondContact N-O 2.83Å; K45-K52 PolarHBondContact O-N 3.13Å; K50-K52 HydrophobicContact CG-CG 4.42Å; K52-D280 IonicContact NZ-OD1 3.4Å; K52-D280 PolarHBondContact NZ-OD1 3.09Å
53L94.2Very high94.5Very high18 Ų1826.2 Ų26.29%0.09412%0.124CC..EExtended strand (participates in β ladder)trans-73.5135.9172.4-62178.3000110V42 T44 I68 L275V42-L53 HydrophobicContact CG1-CB 4.02Å; V42-L53 HydrophobicContact CG1-CD1 4.49Å; V42-L53 HydrophobicContact CG1-CD2 3.97Å; V42-L53 HydrophobicContact CG1-CG 4.37Å; T44-L53 WeakPolarHBondContact OG1-CD2 3.43Å; L53-I68 HydrophobicContact CB-CD1 4.3Å; L53-L275 HydrophobicContact CD1-CB 4.37Å; L53-L275 HydrophobicContact CD1-CD1 4.16Å; L53-L275 HydrophobicContact CD2-CD1 3.93Å; L53-L275 HydrophobicContact CG-CB 4.05Å; L53-L275 HydrophobicContact CG-CD1 3.78Å
54R95.7Very high94.6Very high17 Ų1726.1 Ų26.16%0.06412%0.123CC..EExtended strand (participates in β ladder)trans-136.4140.9173.4-67.5-67-179.7-91.68.5108.3V42 L43 K45 F56 Y65 G66 D280V42-R54 WeakPolarHBondContact CA-O 3.43Å; L43-R54 PolarHBondContact N-O 2.91Å; L43-R54 PolarHBondContact O-N 3.07Å; K45-R54 HydrophobicContact CB-CG 4.32Å; K45-R54 HydrophobicContact CD-CG 4.39Å; R54-F56 HydrophobicContact CB-CD2 4.11Å; R54-F56 HydrophobicContact CB-CE2 3.5Å; R54-F56 VanDerWaalsContact CB-CE2 3.5Å; R54-F56 HydrophobicContact CB-CZ 4.09Å; R54-F56 WeakPolarHBondContact O-CD2 3.39Å; R54-Y65 HydrophobicContact CB-CD2 4.16Å; R54-Y65 HydrophobicContact CG-CD2 4.14Å; R54-G66 WeakPolarHBondContact CA-O 3.34Å; R54-G66 VanDerWaalsContact CD-C 3.5Å; R54-G66 WeakPolarHBondContact CD-O 3.23Å; R54-D280 IonicContact NH2-OD1 3.02Å; R54-D280 IonicContact NH2-OD2 3.88Å; R54-D280 PolarHBondContact NH2-OD2 3.42Å; R54-D280 VanDerWaalsContact NH2-OD2 3.16Å
55H96.1Very high94.7Very high17 Ų1724.7 Ų24.78%0.07911%0.114CC..EExtended strand (participates in β ladder)trans-87.6123.3171.8-156.8125.4000107.5E40 F57 Y65 G66 I68 L75E40-H55 IonicContact OE2-NE2 3.99Å; H55-F57 HydrophobicContact CB-CE2 4.25Å; H55-F57 AromaticContact CD2-CE1 3.96Å; H55-F57 AromaticContact CD2-CE2 3.49Å; H55-F57 VanDerWaalsContact CD2-CE2 3.49Å; H55-F57 WeakPolarHBondContact CD2-CE2 3.15Å; H55-F57 AromaticContact CD2-CZ 3.39Å; H55-F57 WeakPolarHBondContact CD2-CZ 3.34Å; H55-F57 AromaticContact CG-CZ 3.98Å; H55-F57 AromaticContact NE2-CE1 3.97Å; H55-F57 AromaticContact NE2-CZ 3.76Å; H55-Y65 CarbonylContact O-C 3.5Å; H55-Y65 WeakPolarHBondContact O-CA 3.38Å; H55-Y65 WeakPolarHBondContact O-CB 3.27Å; H55-G66 PolarHBondContact N-O 2.96Å; H55-G66 VanDerWaalsContact N-O 3.17Å; H55-G66 PolarHBondContact O-N 3Å; H55-I68 HydrophobicContact CB-CD1 4.16Å; H55-I68 HydrophobicContact CB-CG1 3.93Å; H55-L75 HydrophobicContact CB-CD1 4.07Å; H55-L75 HydrophobicContact CB-CD2 3.88Å
56F97.8Very high94.6Very high0 Ų023.8 Ų23.80%011%0.11CC..EExtended strand (participates in β ladder)trans-108.1142.5180-72.2-99.9000110.1E40 G41 L43 R54 L63 I64 Y65 F110 V112 W123E40-F56 CarbonylContact C-O 3.57Å; E40-F56 WeakPolarHBondContact CA-O 3.47Å; E40-F56 WeakPolarHBondContact CB-O 3.14Å; G41-F56 PolarHBondContact N-O 2.86Å; G41-F56 PolarHBondContact O-N 3.4Å; L43-F56 HydrophobicContact CB-CD2 3.75Å; L43-F56 HydrophobicContact CB-CE2 3.67Å; L43-F56 HydrophobicContact CD1-CD2 3.86Å; L43-F56 HydrophobicContact CD1-CE2 4.17Å; L43-F56 HydrophobicContact CD1-CG 4.09Å; L43-F56 HydrophobicContact CG-CD2 3.99Å; L43-F56 HydrophobicContact CG-CE2 4.35Å; R54-F56 HydrophobicContact CB-CD2 4.11Å; R54-F56 HydrophobicContact CB-CE2 3.5Å; R54-F56 VanDerWaalsContact CB-CE2 3.5Å; R54-F56 HydrophobicContact CB-CZ 4.09Å; R54-F56 WeakPolarHBondContact O-CD2 3.39Å; F56-L63 HydrophobicContact CB-CD1 4.39Å; F56-L63 HydrophobicContact CD1-CD1 4.13Å; F56-L63 HydrophobicContact CD1-CD2 4.03Å; F56-L63 HydrophobicContact CD1-CG 4.18Å; F56-L63 HydrophobicContact CE1-CD2 4.37Å; F56-I64 CarbonylContact C-O 3.44Å; F56-I64 WeakPolarHBondContact CA-O 3.41Å; F56-Y65 HydrophobicContact CD1-CD1 4.07Å; F56-Y65 AromaticContact CD1-CG 3.84Å; F56-Y65 HydrophobicContact CD1-CG 3.84Å; F56-Y65 AromaticContact CE1-CD1 3.66Å; F56-Y65 HydrophobicContact CE1-CD1 3.66Å; F56-Y65 HydrophobicContact CE1-CD2 4.04Å; F56-Y65 HydrophobicContact CE1-CE1 4.38Å; F56-Y65 AromaticContact CE1-CG 3.46Å; F56-Y65 HydrophobicContact CE1-CG 3.46Å; F56-Y65 VanDerWaalsContact CE1-CG 3.46Å; F56-Y65 HydrophobicContact CZ-CD1 4.44Å; F56-Y65 HydrophobicContact CZ-CD2 4.03Å; F56-Y65 AromaticContact CZ-CG 3.91Å; F56-Y65 HydrophobicContact CZ-CG 3.91Å; F56-F110 AromaticContact CE1-CE2 3.84Å; F56-F110 HydrophobicContact CE1-CE2 3.84Å; F56-F110 AromaticContact CE1-CZ 4Å; F56-F110 HydrophobicContact CE1-CZ 4Å; F56-F110 AromaticContact CZ-CE2 3.96Å; F56-F110 HydrophobicContact CZ-CE2 3.96Å; F56-F110 HydrophobicContact CZ-CZ 4.46Å; F56-V112 HydrophobicContact CE2-CG1 4.14Å; F56-V112 HydrophobicContact CZ-CG1 3.77Å; F56-W123 HydrophobicContact CB-CH2 3.61Å; F56-W123 HydrophobicContact CB-CZ2 4.14Å; F56-W123 HydrophobicContact CB-CZ3 4.27Å
57F97.8Very high94.7Very high0 Ų024.7 Ų24.70%011%0.111CC..EExtended strand (participates in β ladder)trans-127.6113.4174.5-56.7-96.8000107.3V19 L22 F23 L37 E40 H55 F59 I64 L75V19-F57 HydrophobicContact CB-CD1 4.2Å; V19-F57 HydrophobicContact CB-CE1 4.21Å; V19-F57 HydrophobicContact CG1-CB 4.48Å; V19-F57 HydrophobicContact CG1-CD1 3.72Å; V19-F57 HydrophobicContact CG1-CD2 4.12Å; V19-F57 HydrophobicContact CG1-CE1 3.85Å; V19-F57 HydrophobicContact CG1-CE2 4.3Å; V19-F57 HydrophobicContact CG1-CG 3.84Å; V19-F57 HydrophobicContact CG1-CZ 4.17Å; V19-F57 HydrophobicContact CG2-CD1 3.4Å; V19-F57 HydrophobicContact CG2-CE1 3.57Å; V19-F57 HydrophobicContact CG2-CG 4.26Å; L22-F57 HydrophobicContact CD1-CE1 4.06Å; L22-F57 HydrophobicContact CD1-CZ 3.75Å; F23-F57 AromaticContact CE2-CD2 3.86Å; F23-F57 HydrophobicContact CE2-CD2 3.86Å; F23-F57 AromaticContact CE2-CE2 3.62Å; F23-F57 HydrophobicContact CE2-CE2 3.62Å; F23-F57 HydrophobicContact CE2-CZ 4.43Å; F23-F57 HydrophobicContact CZ-CD2 4.33Å; F23-F57 HydrophobicContact CZ-CE2 4.06Å; L37-F57 HydrophobicContact CD1-CB 4.05Å; L37-F57 HydrophobicContact CD1-CD1 4.39Å; E40-F57 HydrophobicContact CB-CD1 3.71Å; E40-F57 HydrophobicContact CB-CE1 4.1Å; E40-F57 HydrophobicContact CB-CG 4.39Å; E40-F57 WeakPolarHBondContact OE2-CD1 3.33Å; E40-F57 WeakPolarHBondContact OE2-CE1 3.3Å; H55-F57 HydrophobicContact CB-CE2 4.25Å; H55-F57 AromaticContact CD2-CE1 3.96Å; H55-F57 AromaticContact CD2-CE2 3.49Å; H55-F57 VanDerWaalsContact CD2-CE2 3.49Å; H55-F57 WeakPolarHBondContact CD2-CE2 3.15Å; H55-F57 AromaticContact CD2-CZ 3.39Å; H55-F57 WeakPolarHBondContact CD2-CZ 3.34Å; H55-F57 AromaticContact CG-CZ 3.98Å; H55-F57 AromaticContact NE2-CE1 3.97Å; H55-F57 AromaticContact NE2-CZ 3.76Å; F57-F59 HydrophobicContact CB-CD2 4.29Å; F57-F59 HydrophobicContact CB-CE2 3.63Å; F57-F59 HydrophobicContact CB-CZ 4.4Å; F57-I64 HydrophobicContact CB-CB 4.46Å; F57-I64 PolarHBondContact N-O 2.83Å; F57-I64 PolarHBondContact O-N 2.99Å; F57-L75 HydrophobicContact CE2-CD1 3.32Å; F57-L75 HydrophobicContact CZ-CD1 3.54Å
58L98.1Very high94.7Very high0 Ų024.4 Ų24.40%011%0.108CC..EExtended strand (participates in β ladder)trans-89.4115.1173.8-178.959.1000109V38 G39 L63 L83 W123 H126 L127 C130V38-L58 WeakPolarHBondContact CA-O 3.48Å; V38-L58 HydrophobicContact CB-CB 4.37Å; V38-L58 HydrophobicContact CB-CD2 4.23Å; V38-L58 HydrophobicContact CB-CG 4.02Å; V38-L58 WeakPolarHBondContact CB-O 3.45Å; V38-L58 HydrophobicContact CG1-CD2 3.86Å; V38-L58 HydrophobicContact CG1-CG 4.23Å; V38-L58 PolarHBondContact N-O 3.26Å; G39-L58 PolarHBondContact N-O 2.82Å; G39-L58 PolarHBondContact O-N 2.76Å; L58-L63 HydrophobicContact CB-CD1 4.16Å; L58-L63 HydrophobicContact CD1-CD1 4.15Å; L58-L83 HydrophobicContact CD1-CD1 3.66Å; L58-W123 HydrophobicContact CB-CH2 4.43Å; L58-W123 HydrophobicContact CB-CZ3 3.86Å; L58-H126 HydrophobicContact CD2-CB 3.62Å; L58-L127 HydrophobicContact CD1-CD2 3.62Å; L58-L127 HydrophobicContact CD1-CG 4.36Å; L58-L127 HydrophobicContact CD2-CD2 4.32Å; L58-L127 HydrophobicContact CD2-CG 4.16Å; L58-C130 HydrophobicContact CD1-CB 4.45Å
59F97.2Very high94.8Very high0 Ų024.1 Ų24.10%011%0.112CC..EExtended strand (participates in β ladder)trans-97.8166.2164.1-58.9-101.2000109.7I16 V19 L30 R35 V36 L37 F57 D61 V62 I64 L83I16-F59 HydrophobicContact CD1-CD1 4.4Å; I16-F59 HydrophobicContact CD1-CE1 4.13Å; I16-F59 HydrophobicContact CG1-CE1 3.87Å; I16-F59 HydrophobicContact CG2-CE1 4.24Å; V19-F59 HydrophobicContact CB-CZ 4.41Å; V19-F59 HydrophobicContact CG1-CZ 4.15Å; V19-F59 HydrophobicContact CG2-CZ 4.33Å; L30-F59 HydrophobicContact CD1-CZ 4.05Å; R35-F59 VanDerWaalsContact CD-CD1 3.49Å; R35-F59 HydrophobicContact CG-CB 3.88Å; R35-F59 HydrophobicContact CG-CD1 3.56Å; R35-F59 HydrophobicContact CG-CE1 4.45Å; R35-F59 HydrophobicContact CG-CG 4.09Å; V36-F59 CarbonylContact O-C 3.49Å; V36-F59 WeakPolarHBondContact O-CA 3.13Å; L37-F59 HydrophobicContact CB-CD1 4.15Å; L37-F59 HydrophobicContact CB-CE1 4.12Å; L37-F59 HydrophobicContact CD1-CD1 4.09Å; L37-F59 HydrophobicContact CD1-CD2 4.28Å; L37-F59 HydrophobicContact CD1-CE1 3.9Å; L37-F59 HydrophobicContact CD1-CE2 4Å; L37-F59 HydrophobicContact CD1-CG 4.32Å; L37-F59 HydrophobicContact CD1-CZ 3.83Å; F57-F59 HydrophobicContact CB-CD2 4.29Å; F57-F59 HydrophobicContact CB-CE2 3.63Å; F57-F59 HydrophobicContact CB-CZ 4.4Å; F59-D61 PolarHBondContact O-N 2.78Å; F59-D61 VanDerWaalsContact O-N 3.16Å; F59-V62 WeakPolarHBondContact CA-O 3.48Å; F59-V62 HydrophobicContact CB-CG1 3.79Å; F59-V62 VanDerWaalsContact CB-O 3.27Å; F59-V62 WeakPolarHBondContact CB-O 3.43Å; F59-V62 HydrophobicContact CD2-CG1 3.97Å; F59-V62 HydrophobicContact CG-CG1 4.05Å; F59-V62 PolarHBondContact N-O 3.21Å; F59-I64 HydrophobicContact CD2-CD1 4.01Å; F59-I64 HydrophobicContact CD2-CG1 4.08Å; F59-I64 HydrophobicContact CE2-CB 4.27Å; F59-I64 HydrophobicContact CE2-CD1 3.53Å; F59-I64 HydrophobicContact CE2-CG1 3.9Å; F59-I64 HydrophobicContact CZ-CD1 4.2Å; F59-L83 WeakPolarHBondContact O-CD1 3.45Å
60S95.3Very high94.2Very high22 Ų2222.1 Ų22.115%0.15412%0.117CC..SBendtrans-57.6-27.7179.649.30000113.9V36 C130 S134V36-S60 PolarHBondContact N-OG 3.22Å; V36-S60 PolarHBondContact O-N 2.89Å; S60-C130 WeakPolarHBondContact O-CB 3.15Å; S60-S134 PolarHBondContact O-OG 2.89Å
61D95Very high93.5Very high49 Ų4925.9 Ų25.926%0.26214%0.14SC..SBendtrans-121.9-20.1-174.765.1-40.2000114.5R35 F59 L83 S134R35-D61 WeakPolarHBondContact CG-OD1 3.33Å; R35-D61 IonicContact CZ-OD1 2.75Å; R35-D61 IonicContact CZ-OD2 2.85Å; R35-D61 IonicContact NE-OD1 3.8Å; R35-D61 PolarHBondContact NE-OD1 3.29Å; R35-D61 IonicContact NE-OD2 3.6Å; R35-D61 PolarHBondContact NE-OD2 2.83Å; R35-D61 VanDerWaalsContact NE-OD2 3.16Å; R35-D61 IonicContact NH2-OD1 3.79Å; R35-D61 IonicContact NH2-OD2 2.72Å; R35-D61 PolarHBondContact NH2-OD2 2.9Å; F59-D61 PolarHBondContact O-N 2.78Å; F59-D61 VanDerWaalsContact O-N 3.16Å; D61-L83 WeakPolarHBondContact O-CB 3.49Å; D61-L83 WeakPolarHBondContact O-CG 3.35Å; D61-L83 PolarHBondContact O-N 2.79Å; D61-S134 WeakPolarHBondContact CA-OG 3.32Å
62V96.5Very high92.3Very high1 Ų128 Ų281%0.00614%0.144CC..EExtended strand (participates in β ladder)trans-139.5139.8-174.764.90000111.7F59 I64 F80 I81 F294F59-V62 WeakPolarHBondContact CA-O 3.48Å; F59-V62 HydrophobicContact CB-CG1 3.79Å; F59-V62 VanDerWaalsContact CB-O 3.27Å; F59-V62 WeakPolarHBondContact CB-O 3.43Å; F59-V62 HydrophobicContact CD2-CG1 3.97Å; F59-V62 HydrophobicContact CG-CG1 4.05Å; F59-V62 PolarHBondContact N-O 3.21Å; V62-I64 HydrophobicContact CG1-CD1 4.3Å; V62-I64 HydrophobicContact CG1-CG1 4.19Å; V62-I64 HydrophobicContact CG2-CG1 4.08Å; V62-F80 HydrophobicContact CG2-CB 4.38Å; V62-F80 HydrophobicContact CG2-CD1 4.16Å; V62-I81 WeakPolarHBondContact CA-O 3.33Å; V62-I81 WeakPolarHBondContact CG2-O 3.15Å; V62-F294 HydrophobicContact CB-CE1 4.49Å; V62-F294 HydrophobicContact CG2-CD1 4.04Å; V62-F294 HydrophobicContact CG2-CE1 3.8Å; V62-F294 HydrophobicContact CG2-CZ 4.46Å
63L97.9Very high91.9Very high1 Ų134.5 Ų34.51%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-100.1122.6165.6-179.872.5000109F56 L58 I81 L83 I103 W123 L127F56-L63 HydrophobicContact CB-CD1 4.39Å; F56-L63 HydrophobicContact CD1-CD1 4.13Å; F56-L63 HydrophobicContact CD1-CD2 4.03Å; F56-L63 HydrophobicContact CD1-CG 4.18Å; F56-L63 HydrophobicContact CE1-CD2 4.37Å; L58-L63 HydrophobicContact CB-CD1 4.16Å; L58-L63 HydrophobicContact CD1-CD1 4.15Å; L63-I81 HydrophobicContact CB-CB 4.27Å; L63-I81 HydrophobicContact CD2-CD1 4.26Å; L63-I81 PolarHBondContact N-O 3.28Å; L63-I81 PolarHBondContact O-N 3.33Å; L63-L83 HydrophobicContact CB-CD2 3.99Å; L63-I103 HydrophobicContact CD2-CD1 3.65Å; L63-I103 HydrophobicContact CD2-CG2 4.37Å; L63-W123 HydrophobicContact CD1-CZ3 4.09Å; L63-L127 HydrophobicContact CD2-CD2 4.33Å
64I97.9Very high91.7Very high0 Ų036.3 Ų36.30%018%0.184CC..EExtended strand (participates in β ladder)trans-110.7139.5177.1-53.2-177.8000108.8F23 L30 F56 F57 F59 V62 Q79 F80F23-I64 HydrophobicContact CE2-CG2 3.82Å; F23-I64 HydrophobicContact CZ-CG2 3.85Å; L30-I64 HydrophobicContact CD1-CD1 3.91Å; L30-I64 HydrophobicContact CD2-CD1 3.67Å; L30-I64 HydrophobicContact CG-CD1 4.45Å; F56-I64 CarbonylContact C-O 3.44Å; F56-I64 WeakPolarHBondContact CA-O 3.41Å; F57-I64 HydrophobicContact CB-CB 4.46Å; F57-I64 PolarHBondContact N-O 2.83Å; F57-I64 PolarHBondContact O-N 2.99Å; F59-I64 HydrophobicContact CD2-CD1 4.01Å; F59-I64 HydrophobicContact CD2-CG1 4.08Å; F59-I64 HydrophobicContact CE2-CB 4.27Å; F59-I64 HydrophobicContact CE2-CD1 3.53Å; F59-I64 HydrophobicContact CE2-CG1 3.9Å; F59-I64 HydrophobicContact CZ-CD1 4.2Å; V62-I64 HydrophobicContact CG1-CD1 4.3Å; V62-I64 HydrophobicContact CG1-CG1 4.19Å; V62-I64 HydrophobicContact CG2-CG1 4.08Å; I64-Q79 CarbonylContact C-O 3.55Å; I64-Q79 VanDerWaalsContact CA-O 3.3Å; I64-Q79 WeakPolarHBondContact CA-O 3.06Å; I64-F80 HydrophobicContact CD1-CD1 3.85Å; I64-F80 HydrophobicContact CD1-CE1 3.5Å; I64-F80 VanDerWaalsContact CD1-CE1 3.5Å; I64-F80 HydrophobicContact CD1-CZ 4.38Å; I64-F80 HydrophobicContact CG1-CD1 3.79Å; I64-F80 HydrophobicContact CG1-CE1 3.94Å; I64-F80 HydrophobicContact CG2-CE1 4.44Å
65Y97.5Very high91.6Very high7 Ų735.6 Ų35.63%0.02718%0.181CC..EExtended strand (participates in β ladder)trans-146.6155.3170.368-81.6000113.1K45 R54 H55 F56 Q79 I81 F110K45-Y65 HydrophobicContact CD-CE2 4.15Å; R54-Y65 HydrophobicContact CB-CD2 4.16Å; R54-Y65 HydrophobicContact CG-CD2 4.14Å; H55-Y65 CarbonylContact O-C 3.5Å; H55-Y65 WeakPolarHBondContact O-CA 3.38Å; H55-Y65 WeakPolarHBondContact O-CB 3.27Å; F56-Y65 HydrophobicContact CD1-CD1 4.07Å; F56-Y65 AromaticContact CD1-CG 3.84Å; F56-Y65 HydrophobicContact CD1-CG 3.84Å; F56-Y65 AromaticContact CE1-CD1 3.66Å; F56-Y65 HydrophobicContact CE1-CD1 3.66Å; F56-Y65 HydrophobicContact CE1-CD2 4.04Å; F56-Y65 HydrophobicContact CE1-CE1 4.38Å; F56-Y65 AromaticContact CE1-CG 3.46Å; F56-Y65 HydrophobicContact CE1-CG 3.46Å; F56-Y65 VanDerWaalsContact CE1-CG 3.46Å; F56-Y65 HydrophobicContact CZ-CD1 4.44Å; F56-Y65 HydrophobicContact CZ-CD2 4.03Å; F56-Y65 AromaticContact CZ-CG 3.91Å; F56-Y65 HydrophobicContact CZ-CG 3.91Å; Y65-Q79 HydrophobicContact CD1-CB 3.74Å; Y65-Q79 HydrophobicContact CD2-CB 4.14Å; Y65-Q79 HydrophobicContact CD2-CG 4.33Å; Y65-Q79 HydrophobicContact CE1-CB 3.26Å; Y65-Q79 HydrophobicContact CE1-CG 4.11Å; Y65-Q79 HydrophobicContact CE2-CB 3.74Å; Y65-Q79 HydrophobicContact CE2-CG 3.7Å; Y65-Q79 HydrophobicContact CG-CB 4.15Å; Y65-Q79 PolarHBondContact N-O 3.17Å; Y65-Q79 PolarHBondContact O-N 3.43Å; Y65-I81 HydrophobicContact CE1-CD1 3.93Å; Y65-I81 HydrophobicContact CE1-CG1 4.21Å; Y65-F110 HydrophobicContact CD1-CZ 4.47Å; Y65-F110 HydrophobicContact CE1-CE1 4.07Å; Y65-F110 AromaticContact CE1-CZ 3.89Å; Y65-F110 HydrophobicContact CE1-CZ 3.89Å
66G96Very high91.5Very high0 Ų041.9 Ų41.90%020%0.204CC..EExtended strand (participates in β ladder)trans-142.2158-174.200000113.6R54 H55R54-G66 WeakPolarHBondContact CA-O 3.34Å; R54-G66 VanDerWaalsContact CD-C 3.5Å; R54-G66 WeakPolarHBondContact CD-O 3.23Å; H55-G66 PolarHBondContact N-O 2.96Å; H55-G66 VanDerWaalsContact N-O 3.17Å; H55-G66 PolarHBondContact O-N 3Å
67R94.7Very high91.4Very high57 Ų5745.7 Ų45.722%0.21523%0.225CC..EExtended strand (participates in β ladder)trans-69.1126.7166.8-178.8-179.2176.4-158.31109L75 R76 N276 E278R67-L75 WeakPolarHBondContact O-CA 3.09Å; R67-R76 PolarHBondContact N-O 3.24Å; R67-R76 PolarHBondContact O-N 3.2Å; R67-N276 PolarHBondContact NH2-O 3.44Å; R67-E278 PolarHBondContact NH2-O 2.92Å
68I92.1Very high91.3Very high14 Ų1447.8 Ų47.87%0.07224%0.238CC..EExtended strand (participates in β ladder)trans-74.7124.2174.2-56.8173.9000108.5V42 L53 H55 R72 L75V42-I68 HydrophobicContact CG1-CD1 3.91Å; V42-I68 HydrophobicContact CG2-CD1 3.81Å; L53-I68 HydrophobicContact CB-CD1 4.3Å; H55-I68 HydrophobicContact CB-CD1 4.16Å; H55-I68 HydrophobicContact CB-CG1 3.93Å; I68-R72 HydrophobicContact CG2-CB 4.38Å; I68-R72 HydrophobicContact CG2-CG 3.79Å; I68-L75 HydrophobicContact CB-CD2 4.42Å; I68-L75 HydrophobicContact CG1-CD2 4.05Å
69V88.6Confident91.3Very high51 Ų5150.7 Ų50.731%0.30925%0.252SS..  trans-109.3167.5173.2-173.20000109.1N71 R72 V74 R76V69-N71 PolarHBondContact O-N 3.48Å; V69-R72 PolarHBondContact O-N 3.33Å; V69-V74 HydrophobicContact CB-CB 4.47Å; V69-V74 WeakPolarHBondContact CB-O 3.26Å; V69-V74 PolarHBondContact N-O 3.19Å; V69-R76 HydrophobicContact CG2-CB 4.14Å; V69-R76 HydrophobicContact CG2-CG 3.62Å
70V73.7Confident91.2Very high118 Ų11852.6 Ų52.672%0.71526%0.26SS*.G310 helixtrans-34.1127.4-172-1780000113.2R72V70-R72 VanDerWaalsContact C-N 3.29Å; V70-R72 PolarHBondContact O-N 3.28Å
71N74.6Confident91.3Very high123 Ų12351.8 Ų51.866%0.65825%0.254SS*.G310 helixtrans61.418.4-179.5-63.5-4.7000116.6V69 K73V69-N71 PolarHBondContact O-N 3.48Å; N71-K73 HydrophobicContact CB-CG 4.36Å; N71-K73 PolarHBondContact O-N 2.8Å
72R70Confident91.2Very high73 Ų7352.7 Ų52.728%0.27526%0.259SS..G310 helixtrans58.19.1180-56.5-173.7178.8166.87.1114.8I68 V69 V70 V74 V268I68-R72 HydrophobicContact CG2-CB 4.38Å; I68-R72 HydrophobicContact CG2-CG 3.79Å; V69-R72 PolarHBondContact O-N 3.33Å; V70-R72 VanDerWaalsContact C-N 3.29Å; V70-R72 PolarHBondContact O-N 3.28Å; R72-V74 VanDerWaalsContact C-N 3.33Å; R72-V268 PolarHBondContact NH2-O 2.88Å
73K82.7Confident91.2Very high156 Ų15652.6 Ų52.668%0.67826%0.259SS*.SBendtrans-80.6-16.8179.9-65.4-171.4178.7-1750113.1N71N71-K73 HydrophobicContact CB-CG 4.36Å; N71-K73 PolarHBondContact O-N 2.8Å
74V90.2Very high90.9Very high56 Ų5653.9 Ų53.934%0.33927%0.269SS..  trans-136.4132.4-178-177.50000109.5V69 R72 R76V69-V74 HydrophobicContact CB-CB 4.47Å; V69-V74 WeakPolarHBondContact CB-O 3.26Å; V69-V74 PolarHBondContact N-O 3.19Å; R72-V74 VanDerWaalsContact C-N 3.33Å; V74-R76 HydrophobicContact CG1-CG 4.34Å
75L94.3Very high90.5Very high2 Ų256.2 Ų56.21%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-111.2137.4171.2-60.8-179.3000109.8L22 F23 H55 F57 R67 I68L22-L75 HydrophobicContact CB-CD1 4.06Å; L22-L75 HydrophobicContact CB-CG 4.18Å; L22-L75 HydrophobicContact CD1-CD1 4.42Å; L22-L75 PolarHBondContact O-N 3.2Å; F23-L75 HydrophobicContact CD1-CB 3.61Å; F23-L75 HydrophobicContact CD2-CB 4.49Å; F23-L75 HydrophobicContact CD2-CD1 4.23Å; F23-L75 HydrophobicContact CE1-CB 3.53Å; F23-L75 HydrophobicContact CE1-CD1 4.11Å; F23-L75 HydrophobicContact CE1-CG 4.49Å; F23-L75 HydrophobicContact CE2-CB 4.41Å; F23-L75 HydrophobicContact CE2-CD1 3.69Å; F23-L75 HydrophobicContact CG-CB 4.12Å; F23-L75 HydrophobicContact CZ-CB 3.96Å; F23-L75 HydrophobicContact CZ-CD1 3.63Å; F23-L75 HydrophobicContact CZ-CG 4.46Å; H55-L75 HydrophobicContact CB-CD1 4.07Å; H55-L75 HydrophobicContact CB-CD2 3.88Å; F57-L75 HydrophobicContact CE2-CD1 3.32Å; F57-L75 HydrophobicContact CZ-CD1 3.54Å; R67-L75 WeakPolarHBondContact O-CA 3.09Å; I68-L75 HydrophobicContact CB-CD2 4.42Å; I68-L75 HydrophobicContact CG1-CD2 4.05Å
76R94.3Very high90.4Very high149 Ų14956 Ų5656%0.56228%0.282SS*.EExtended strand (participates in β ladder)trans-122.1163.6179.1-63.5-66.9-170.6171.10.8110.7R67 V69 V74R67-R76 PolarHBondContact N-O 3.24Å; R67-R76 PolarHBondContact O-N 3.2Å; V69-R76 HydrophobicContact CG2-CB 4.14Å; V69-R76 HydrophobicContact CG2-CG 3.62Å; V74-R76 HydrophobicContact CG1-CG 4.34Å
77N94.8Very high90.3Very high81 Ų8157.5 Ų57.543%0.43329%0.291SS..EExtended strand (participates in β ladder)trans54.658.5176.6-57.643.6000111.5Q79N77-Q79 PolarHBondContact O-N 2.99Å
78P96.7Very high90.4Very high44 Ų4455.6 Ų55.629%0.28629%0.286SS..EExtended strand (participates in β ladder)trans-58.4136.5179.427.6-35.5000110.3F23 F25 F80F23-P78 HydrophobicContact CD1-CB 3.7Å; F23-P78 HydrophobicContact CD1-CG 4.38Å; F23-P78 HydrophobicContact CE1-CB 3.69Å; F23-P78 HydrophobicContact CG-CB 4.48Å; F23-P78 HydrophobicContact CZ-CB 4.5Å; F25-P78 HydrophobicContact CE1-CB 4.23Å; F25-P78 HydrophobicContact CE1-CG 3.89Å; F25-P78 HydrophobicContact CZ-CB 3.64Å; F25-P78 HydrophobicContact CZ-CG 3.83Å; P78-F80 HydrophobicContact CB-CE2 3.84Å; P78-F80 HydrophobicContact CB-CZ 4.43Å; P78-F80 HydrophobicContact CG-CE2 4.31Å
79Q97Very high90.6Very high61 Ų6160.9 Ų60.929%0.28531%0.308SS..EExtended strand (participates in β ladder)trans-122.3134.3175.6-63.2-64.8-65.600108I64 Y65 N77I64-Q79 CarbonylContact C-O 3.55Å; I64-Q79 VanDerWaalsContact CA-O 3.3Å; I64-Q79 WeakPolarHBondContact CA-O 3.06Å; Y65-Q79 HydrophobicContact CD1-CB 3.74Å; Y65-Q79 HydrophobicContact CD2-CB 4.14Å; Y65-Q79 HydrophobicContact CD2-CG 4.33Å; Y65-Q79 HydrophobicContact CE1-CB 3.26Å; Y65-Q79 HydrophobicContact CE1-CG 4.11Å; Y65-Q79 HydrophobicContact CE2-CB 3.74Å; Y65-Q79 HydrophobicContact CE2-CG 3.7Å; Y65-Q79 HydrophobicContact CG-CB 4.15Å; Y65-Q79 PolarHBondContact N-O 3.17Å; Y65-Q79 PolarHBondContact O-N 3.43Å; N77-Q79 PolarHBondContact O-N 2.99Å
80F96.7Very high91Very high39 Ų3963.1 Ų63.117%0.17132%0.319CS..EExtended strand (participates in β ladder)trans-116.3133.3-177.6-64.5-102.5000109.6F25 L30 V62 I64 P78 V291 F294F25-F80 HydrophobicContact CE2-CZ 4.09Å; F25-F80 HydrophobicContact CZ-CE2 4.29Å; F25-F80 AromaticContact CZ-CZ 3.78Å; F25-F80 HydrophobicContact CZ-CZ 3.78Å; L30-F80 HydrophobicContact CD2-CE1 3.96Å; L30-F80 HydrophobicContact CD2-CZ 4.5Å; V62-F80 HydrophobicContact CG2-CB 4.38Å; V62-F80 HydrophobicContact CG2-CD1 4.16Å; I64-F80 HydrophobicContact CD1-CD1 3.85Å; I64-F80 HydrophobicContact CD1-CE1 3.5Å; I64-F80 VanDerWaalsContact CD1-CE1 3.5Å; I64-F80 HydrophobicContact CD1-CZ 4.38Å; I64-F80 HydrophobicContact CG1-CD1 3.79Å; I64-F80 HydrophobicContact CG1-CE1 3.94Å; I64-F80 HydrophobicContact CG2-CE1 4.44Å; P78-F80 HydrophobicContact CB-CE2 3.84Å; P78-F80 HydrophobicContact CB-CZ 4.43Å; P78-F80 HydrophobicContact CG-CE2 4.31Å; F80-V291 HydrophobicContact CE2-CG1 4.38Å; F80-F294 HydrophobicContact CB-CD2 3.82Å; F80-F294 HydrophobicContact CB-CE1 4.47Å; F80-F294 HydrophobicContact CB-CE2 3.41Å; F80-F294 VanDerWaalsContact CB-CE2 3.41Å; F80-F294 HydrophobicContact CB-CZ 3.77Å; F80-F294 HydrophobicContact CD1-CD2 4.18Å; F80-F294 HydrophobicContact CD1-CG 4.27Å; F80-F294 HydrophobicContact CG-CD2 4.09Å; F80-F294 HydrophobicContact CG-CE2 4.18Å
81I96Very high92.1Very high6 Ų659.1 Ų59.13%0.03129%0.294CS..EExtended strand (participates in β ladder)trans-126.4114.9175-54.2-178.1000108.1V62 L63 Y65 L83 S86 I103 F110V62-I81 WeakPolarHBondContact CA-O 3.33Å; V62-I81 WeakPolarHBondContact CG2-O 3.15Å; L63-I81 HydrophobicContact CB-CB 4.27Å; L63-I81 HydrophobicContact CD2-CD1 4.26Å; L63-I81 PolarHBondContact N-O 3.28Å; L63-I81 PolarHBondContact O-N 3.33Å; Y65-I81 HydrophobicContact CE1-CD1 3.93Å; Y65-I81 HydrophobicContact CE1-CG1 4.21Å; I81-L83 PolarHBondContact O-N 3.17Å; I81-S86 VanDerWaalsContact CG2-OG 3.28Å; I81-S86 WeakPolarHBondContact CG2-OG 3.49Å; I81-I103 HydrophobicContact CD1-CG2 4.12Å; I81-F110 HydrophobicContact CD1-CE1 3.44Å; I81-F110 VanDerWaalsContact CD1-CE1 3.44Å; I81-F110 HydrophobicContact CD1-CZ 3.56Å
82D94.1Very high93Very high67 Ų6759.4 Ų59.436%0.35830%0.3SS..EExtended strand (participates in β ladder)trans-65.5124.7170.9-171.4-20.8000109.8A84 S86 F294D82-A84 WeakPolarHBondContact OD1-CB 3.48Å; D82-A84 PolarHBondContact OD1-N 2.91Å; D82-S86 PolarHBondContact O-OG 3.42Å; D82-F294 HydrophobicContact CB-CE1 3.97Å; D82-F294 HydrophobicContact CB-CZ 4.09Å
83L94.7Very high94.2Very high0 Ų058.4 Ų58.40%030%0.3CS..SBendtrans-78.4-22.8-178.1-64.1-178.1000113.1L58 F59 D61 L63 I81 D85 S86 L127 C130 I131L58-L83 HydrophobicContact CD1-CD1 3.66Å; F59-L83 WeakPolarHBondContact O-CD1 3.45Å; D61-L83 WeakPolarHBondContact O-CB 3.49Å; D61-L83 WeakPolarHBondContact O-CG 3.35Å; D61-L83 PolarHBondContact O-N 2.79Å; L63-L83 HydrophobicContact CB-CD2 3.99Å; I81-L83 PolarHBondContact O-N 3.17Å; L83-D85 PolarHBondContact O-N 2.96Å; L83-S86 PolarHBondContact O-N 2.78Å; L83-L127 HydrophobicContact CD2-CD2 4.22Å; L83-C130 HydrophobicContact CD1-CB 3.59Å; L83-I131 HydrophobicContact CB-CG1 4.05Å; L83-I131 HydrophobicContact CD2-CG1 4.09Å
84A91.7Very high94.5Very high27 Ų2756.8 Ų56.822%0.22330%0.299CS..THydrogen-bonded Turntrans-59.8-35.1-178.600000112.3D82D82-A84 WeakPolarHBondContact OD1-CB 3.48Å; D82-A84 PolarHBondContact OD1-N 2.91Å
85D90.3Very high94.5Very high49 Ų4957.1 Ų57.126%0.26231%0.314SS..THydrogen-bonded Turntrans-103.416.5177.3-70.8-34.8000112.9L83 P106 V144 K146L83-D85 PolarHBondContact O-N 2.96Å; D85-P106 HydrophobicContact CB-CG 3.64Å; D85-P106 WeakPolarHBondContact O-CD 3.06Å; D85-V144 HydrophobicContact CB-CG1 4.17Å; D85-K146 WeakPolarHBondContact O-CD 3.2Å; D85-K146 WeakPolarHBondContact O-CE 3.25Å; D85-K146 PolarHBondContact O-NZ 3.17Å
86S94.4Very high94.2Very high4 Ų464 Ų643%0.02835%0.35CS..  trans-102.5160.5-176.8-700000112.9I81 D82 L83 L104 S105 I131I81-S86 VanDerWaalsContact CG2-OG 3.28Å; I81-S86 WeakPolarHBondContact CG2-OG 3.49Å; D82-S86 PolarHBondContact O-OG 3.42Å; L83-S86 PolarHBondContact O-N 2.78Å; S86-L104 CarbonylContact C-O 3.52Å; S86-L104 WeakPolarHBondContact CA-O 3.43Å; S86-S105 WeakPolarHBondContact OG-CB 3.17Å; S86-I131 WeakPolarHBondContact O-CG2 3.36Å
87C94.3Very high94.1Very high30 Ų3061.3 Ų61.320%0.20334%0.34CS..EExtended strand (participates in β ladder)trans-144.8159.4165.268.50000111L104C87-L104 PolarHBondContact N-O 2.58Å; C87-L104 PolarHBondContact O-N 3.16Å
88V96.7Very high94.1Very high17 Ų1764.4 Ų64.410%0.10335%0.346CS..EExtended strand (participates in β ladder)trans-121133.3-178.4177.60000110.3F101 S102 I103 V124 L127 I131V88-F101 HydrophobicContact CG1-CB 4.4Å; V88-F101 HydrophobicContact CG1-CD2 3.98Å; V88-S102 VanDerWaalsContact CA-O 3.31Å; V88-S102 WeakPolarHBondContact CA-O 3.32Å; V88-I103 HydrophobicContact CG2-CG1 4.47Å; V88-V124 HydrophobicContact CG1-CG1 4.34Å; V88-V124 HydrophobicContact CG1-CG2 4.14Å; V88-L127 HydrophobicContact CG2-CB 3.74Å; V88-L127 HydrophobicContact CG2-CD1 3.92Å; V88-L127 HydrophobicContact CG2-CG 4.29Å; V88-I131 HydrophobicContact CG2-CD1 3.77Å
89K97.2Very high94.2Very high125 Ų12563.3 Ų63.354%0.54334%0.338SS..EExtended strand (participates in β ladder)trans-125.9135.2177.3-60.9-169.1-178.9179.60110.7F101 S102 L104K89-F101 CarbonylContact O-C 3.49Å; K89-F101 WeakPolarHBondContact O-CA 3.3Å; K89-S102 PolarHBondContact N-O 3.48Å; K89-S102 PolarHBondContact O-N 2.7Å; K89-L104 HydrophobicContact CD-CD1 3.66Å; K89-L104 HydrophobicContact CG-CD1 3.95Å
90N97.6Very high94.2Very high98 Ų9860.4 Ų60.452%0.52432%0.324SS..EExtended strand (participates in β ladder)trans-66145.3172.5-73-53000110.4K120N90-K120 WeakPolarHBondContact OD1-CE 3.39Å
91V96Very high94.3Very high34 Ų3458.6 Ų58.621%0.20632%0.316CS..  trans-108.3138.4170.7176.50000108G100 S102 T111 K120V91-G100 PolarHBondContact N-O 2.89Å; V91-S102 VanDerWaalsContact CG2-OG 3.26Å; V91-S102 WeakPolarHBondContact CG2-OG 3.43Å; V91-T111 HydrophobicContact CB-CG2 4.48Å; V91-T111 HydrophobicContact CG1-CG2 4.5Å; V91-T111 HydrophobicContact CG2-CG2 3.9Å; V91-K120 PolarHBondContact O-NZ 3.21Å
92V94.4Very high94.4Very high129 Ų12958.7 Ų58.778%0.78232%0.317SS*.  trans-70.4133.2176.2-178.10000108.5
93D93.9Very high94.5Very high52 Ų5255.6 Ų55.628%0.27830%0.301SS..  trans-62.4139.6178-71.2-3.9000110.5Y97 R98 N99D93-Y97 WeakPolarHBondContact CA-O 3.46Å; D93-R98 HydrophobicContact CB-CG 4.38Å; D93-R98 WeakPolarHBondContact OD1-CA 3.47Å; D93-R98 IonicContact OD2-CZ 3.37Å; D93-R98 IonicContact OD2-NE 3.49Å; D93-R98 PolarHBondContact OD2-NE 2.86Å; D93-R98 IonicContact OD2-NH2 2.9Å; D93-R98 PolarHBondContact OD2-NH2 3.05Å; D93-N99 PolarHBondContact OD1-N 3.14Å
94N89.5Confident94.6Very high122 Ų12256.6 Ų56.665%0.65231%0.306SS*.BIsolated β-bridgetrans-143.3111.8178.6-177.917.8000111.2I96 Y97N94-I96 PolarHBondContact O-N 2.84Å; N94-Y97 PolarHBondContact N-O 2.74Å; N94-Y97 WeakPolarHBondContact O-CB 3.36Å; N94-Y97 PolarHBondContact O-N 3.16Å
95G90.3Very high94.8Very high64 Ų6455.5 Ų55.566%0.6630%0.297SS*.THydrogen-bonded Turntrans56.2-122.1-178.900000112Y97G95-Y97 VanDerWaalsContact C-N 3.25Å; G95-Y97 PolarHBondContact O-N 2.76Å
96I88.5Confident94.9Very high146 Ų14654 Ų5475%0.74929%0.29SS*.THydrogen-bonded Turntrans-72.4-17.9177.865.3171.3000113.3N94 R98N94-I96 PolarHBondContact O-N 2.84Å; I96-R98 PolarHBondContact O-N 2.71Å
97Y92.1Very high94.8Very high93 Ų9359.5 Ų59.537%0.36531%0.31SS..BIsolated β-bridgetrans-87.989.6-176.7-65-63.4000110I46 P51 D93 N94 G95 Y113I46-Y97 HydrophobicContact CD1-CD1 4.27Å; I46-Y97 HydrophobicContact CD1-CE1 4.01Å; P51-Y97 HydrophobicContact CG-CE1 4.13Å; D93-Y97 WeakPolarHBondContact CA-O 3.46Å; N94-Y97 PolarHBondContact N-O 2.74Å; N94-Y97 WeakPolarHBondContact O-CB 3.36Å; N94-Y97 PolarHBondContact O-N 3.16Å; G95-Y97 VanDerWaalsContact C-N 3.25Å; G95-Y97 PolarHBondContact O-N 2.76Å; Y97-Y113 VanDerWaalsContact C-CE1 3.5Å; Y97-Y113 HydrophobicContact CD1-CD2 4.43Å; Y97-Y113 HydrophobicContact CD1-CE2 4.22Å
98R94.7Very high94.7Very high145 Ų14560.4 Ų60.455%0.54731%0.31SS..  trans-116.6151.9-178-58.8-167.566.296.515112.2D93 I96 Y113D93-R98 HydrophobicContact CB-CG 4.38Å; D93-R98 WeakPolarHBondContact OD1-CA 3.47Å; D93-R98 IonicContact OD2-CZ 3.37Å; D93-R98 IonicContact OD2-NE 3.49Å; D93-R98 PolarHBondContact OD2-NE 2.86Å; D93-R98 IonicContact OD2-NH2 2.9Å; D93-R98 PolarHBondContact OD2-NH2 3.05Å; I96-R98 PolarHBondContact O-N 2.71Å; R98-Y113 VanDerWaalsContact O-CD1 3.27Å; R98-Y113 WeakPolarHBondContact O-CD1 3.42Å
99N97.3Very high94.7Very high22 Ų2260 Ų6012%0.11831%0.308CS..SBendtrans67.540.8-179.5-41.8-47000112.1D93 A114 K120D93-N99 PolarHBondContact OD1-N 3.14Å; N99-A114 HydrophobicContact CB-CB 4.33Å; N99-A114 PolarHBondContact O-N 3.24Å; N99-A114 VanDerWaalsContact O-N 3.15Å; N99-K120 VanDerWaalsContact C-CD 3.44Å; N99-K120 VanDerWaalsContact CA-CD 3.49Å; N99-K120 HydrophobicContact CB-CB 3.94Å; N99-K120 HydrophobicContact CB-CD 4.02Å
100G97.3Very high94.7Very high0 Ų054.4 Ų54.40%028%0.284CS..EExtended strand (participates in β ladder)trans-85.5145.5-179.400000114.8V91 V112 K120V91-G100 PolarHBondContact N-O 2.89Å; G100-V112 WeakPolarHBondContact CA-O 3.34Å; G100-K120 VanDerWaalsContact O-CE 3.28Å; G100-K120 WeakPolarHBondContact O-CE 3.39Å; G100-K120 PolarHBondContact O-NZ 2.89Å
101F98.4Very high94.7Very high0 Ų050.6 Ų50.60%026%0.264CS..EExtended strand (participates in β ladder)trans-149.2156.316561.4-82.3000110.8L43 V88 K89 I103 T111 V112 K120 W123 V124 L127L43-F101 HydrophobicContact CD1-CZ 3.78Å; V88-F101 HydrophobicContact CG1-CB 4.4Å; V88-F101 HydrophobicContact CG1-CD2 3.98Å; K89-F101 CarbonylContact O-C 3.49Å; K89-F101 WeakPolarHBondContact O-CA 3.3Å; F101-I103 HydrophobicContact CD2-CG1 4.25Å; F101-I103 HydrophobicContact CE2-CD1 4.03Å; F101-I103 HydrophobicContact CE2-CG1 4.07Å; F101-T111 WeakPolarHBondContact O-CA 3.39Å; F101-V112 HydrophobicContact CD1-CG2 4.18Å; F101-V112 HydrophobicContact CD2-CG2 3.7Å; F101-V112 HydrophobicContact CE1-CG2 3.86Å; F101-V112 HydrophobicContact CE2-CG2 3.34Å; F101-V112 HydrophobicContact CG-CG2 4.11Å; F101-V112 HydrophobicContact CZ-CG2 3.43Å; F101-V112 VanDerWaalsContact CZ-CG2 3.43Å; F101-V112 PolarHBondContact N-O 3.2Å; F101-V112 WeakPolarHBondContact O-CG2 3.45Å; F101-V112 PolarHBondContact O-N 3.17Å; F101-V112 VanDerWaalsContact O-O 3.09Å; F101-K120 HydrophobicContact CD1-CG 4.18Å; F101-W123 HydrophobicContact CE1-CB 4.01Å; F101-W123 HydrophobicContact CE1-CG 4.49Å; F101-W123 HydrophobicContact CE2-CB 4.37Å; F101-W123 HydrophobicContact CZ-CB 3.63Å; F101-W123 HydrophobicContact CZ-CG 4.01Å; F101-V124 HydrophobicContact CB-CG2 3.91Å; F101-V124 HydrophobicContact CD1-CG2 4.13Å; F101-V124 HydrophobicContact CD2-CG2 4.21Å; F101-V124 HydrophobicContact CG-CG2 3.83Å; F101-L127 HydrophobicContact CD2-CD1 4.43Å; F101-L127 HydrophobicContact CE2-CD1 3.72Å
102S98.1Very high94.8Very high9 Ų949 Ų496%0.06325%0.254CS..EExtended strand (participates in β ladder)trans-108.2130.3-179.8-68.10000110.2V88 K89 V91 F110 T111 I149V88-S102 VanDerWaalsContact CA-O 3.31Å; V88-S102 WeakPolarHBondContact CA-O 3.32Å; K89-S102 PolarHBondContact N-O 3.48Å; K89-S102 PolarHBondContact O-N 2.7Å; V91-S102 VanDerWaalsContact CG2-OG 3.26Å; V91-S102 WeakPolarHBondContact CG2-OG 3.43Å; S102-F110 WeakPolarHBondContact CA-O 3.28Å; S102-T111 PolarHBondContact OG-OG1 3.16Å; S102-I149 WeakPolarHBondContact OG-CD1 3.24Å
103I98Very high94.9Very high2 Ų244.2 Ų44.21%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-99.1120.3168.3-63.3155.4000106.6L63 I81 V88 F101 S109 F110 V112 L127L63-I103 HydrophobicContact CD2-CD1 3.65Å; L63-I103 HydrophobicContact CD2-CG2 4.37Å; I81-I103 HydrophobicContact CD1-CG2 4.12Å; V88-I103 HydrophobicContact CG2-CG1 4.47Å; F101-I103 HydrophobicContact CD2-CG1 4.25Å; F101-I103 HydrophobicContact CE2-CD1 4.03Å; F101-I103 HydrophobicContact CE2-CG1 4.07Å; I103-S109 VanDerWaalsContact O-CA 3.25Å; I103-S109 WeakPolarHBondContact O-CA 3.49Å; I103-F110 HydrophobicContact CB-CE2 4.26Å; I103-F110 HydrophobicContact CB-CZ 4.27Å; I103-F110 HydrophobicContact CD1-CE2 3.75Å; I103-F110 HydrophobicContact CD1-CZ 4.08Å; I103-F110 HydrophobicContact CG2-CZ 4.45Å; I103-F110 PolarHBondContact N-O 2.94Å; I103-F110 PolarHBondContact O-N 3.5Å; I103-V112 HydrophobicContact CD1-CG2 4.02Å; I103-L127 HydrophobicContact CD1-CD1 4.39Å; I103-L127 HydrophobicContact CG1-CD1 4.25Å
104L96.6Very high95.1Very high20 Ų2042 Ų4211%0.10521%0.212CC..EExtended strand (participates in β ladder)trans-113124.7-177-54.8-179.7000109.6S86 C87 K89 S109 K146 I149S86-L104 CarbonylContact C-O 3.52Å; S86-L104 WeakPolarHBondContact CA-O 3.43Å; C87-L104 PolarHBondContact N-O 2.58Å; C87-L104 PolarHBondContact O-N 3.16Å; K89-L104 HydrophobicContact CD-CD1 3.66Å; K89-L104 HydrophobicContact CG-CD1 3.95Å; L104-S109 WeakPolarHBondContact CA-OG 3.5Å; L104-K146 HydrophobicContact CB-CB 4.27Å; L104-K146 HydrophobicContact CB-CG 4.17Å; L104-I149 HydrophobicContact CD2-CD1 3.83Å; L104-I149 HydrophobicContact CD2-CG1 3.82Å
105S95.1Very high95.3Very high5 Ų539.7 Ų39.74%0.03521%0.205CC..  trans-138.6163.6175.380.10000110.6S86 R107 K108 S109 S147S86-S105 WeakPolarHBondContact OG-CB 3.17Å; S105-R107 VanDerWaalsContact C-N 3.29Å; S105-R107 PolarHBondContact O-N 3.32Å; S105-K108 WeakPolarHBondContact CB-O 3.43Å; S105-K108 PolarHBondContact N-O 3.07Å; S105-K108 PolarHBondContact OG-N 3.35Å; S105-K108 PolarHBondContact OG-O 2.82Å; S105-S109 PolarHBondContact N-OG 3.39Å; S105-S109 PolarHBondContact O-OG 3.03Å; S105-S147 PolarHBondContact O-N 3.47Å
106P92.5Very high95.5Very high17 Ų1739 Ų3911%0.1119%0.188CC..SBendtrans-55.2-44.3176.6-2837.8000112.5D85 V144 K146 S147 Y196 Q197D85-P106 HydrophobicContact CB-CG 3.64Å; D85-P106 WeakPolarHBondContact O-CD 3.06Å; P106-V144 HydrophobicContact CG-CG1 3.8Å; P106-K146 HydrophobicContact CG-CD 4.39Å; P106-S147 WeakPolarHBondContact O-CB 3.37Å; P106-S147 PolarHBondContact O-N 3.13Å; P106-Y196 CarbonylContact C-O 3.44Å; P106-Y196 WeakPolarHBondContact CB-O 3.26Å; P106-Y196 WeakPolarHBondContact O-CD2 3.43Å; P106-Q197 WeakPolarHBondContact O-CG 3.4Å
107R92Very high95.8Very high120 Ų12034.9 Ų34.945%0.45317%0.172SC..SBendtrans-81-41.9-175.9-68.4-165.5173.5115.42.3113.5S105S105-R107 VanDerWaalsContact C-N 3.29Å; S105-R107 PolarHBondContact O-N 3.32Å
108K92.6Very high96Very high49 Ų4936.7 Ų36.721%0.21318%0.184CC..  trans-152.5130.6-173.9-157.8166.9-163.6153.90111.8S105 F110 D284S105-K108 WeakPolarHBondContact CB-O 3.43Å; S105-K108 PolarHBondContact N-O 3.07Å; S105-K108 PolarHBondContact OG-N 3.35Å; S105-K108 PolarHBondContact OG-O 2.82Å; K108-F110 HydrophobicContact CG-CD1 4.19Å; K108-D284 IonicContact NZ-OD2 2.82Å; K108-D284 PolarHBondContact NZ-OD2 3.25Å
109S96.8Very high96.1Very high9 Ų930.9 Ų30.96%0.06316%0.163CC..  trans-122.4139.2175.1-63.20000109.5I103 L104 S105 S147I103-S109 VanDerWaalsContact O-CA 3.25Å; I103-S109 WeakPolarHBondContact O-CA 3.49Å; L104-S109 WeakPolarHBondContact CA-OG 3.5Å; S105-S109 PolarHBondContact N-OG 3.39Å; S105-S109 PolarHBondContact O-OG 3.03Å; S109-S147 WeakPolarHBondContact CB-O 3.31Å; S109-S147 PolarHBondContact OG-O 3.39Å
110F97.4Very high96.1Very high6 Ų631.2 Ų31.23%0.02616%0.164CC..EExtended strand (participates in β ladder)trans-158.2157.8-178.753-91.4000112K45 F56 Y65 I81 S102 I103 K108 V112K45-F110 HydrophobicContact CD-CD2 4.17Å; K45-F110 HydrophobicContact CD-CE2 4.49Å; K45-F110 HydrophobicContact CD-CG 4.39Å; K45-F110 HydrophobicContact CG-CD2 4.01Å; K45-F110 HydrophobicContact CG-CG 4.43Å; F56-F110 AromaticContact CE1-CE2 3.84Å; F56-F110 HydrophobicContact CE1-CE2 3.84Å; F56-F110 AromaticContact CE1-CZ 4Å; F56-F110 HydrophobicContact CE1-CZ 4Å; F56-F110 AromaticContact CZ-CE2 3.96Å; F56-F110 HydrophobicContact CZ-CE2 3.96Å; F56-F110 HydrophobicContact CZ-CZ 4.46Å; Y65-F110 HydrophobicContact CD1-CZ 4.47Å; Y65-F110 HydrophobicContact CE1-CE1 4.07Å; Y65-F110 AromaticContact CE1-CZ 3.89Å; Y65-F110 HydrophobicContact CE1-CZ 3.89Å; I81-F110 HydrophobicContact CD1-CE1 3.44Å; I81-F110 VanDerWaalsContact CD1-CE1 3.44Å; I81-F110 HydrophobicContact CD1-CZ 3.56Å; S102-F110 WeakPolarHBondContact CA-O 3.28Å; I103-F110 HydrophobicContact CB-CE2 4.26Å; I103-F110 HydrophobicContact CB-CZ 4.27Å; I103-F110 HydrophobicContact CD1-CE2 3.75Å; I103-F110 HydrophobicContact CD1-CZ 4.08Å; I103-F110 HydrophobicContact CG2-CZ 4.45Å; I103-F110 PolarHBondContact N-O 2.94Å; I103-F110 PolarHBondContact O-N 3.5Å; K108-F110 HydrophobicContact CG-CD1 4.19Å; F110-V112 HydrophobicContact CD2-CG1 3.86Å; F110-V112 HydrophobicContact CE2-CG1 3.84Å
111T97.6Very high96Very high18 Ų1834.5 Ų34.511%0.1118%0.184CC..EExtended strand (participates in β ladder)trans-93.7138.4172.4-55.20000110.3I46 V91 F101 S102 Y113I46-T111 HydrophobicContact CG1-CG2 4.3Å; I46-T111 PolarHBondContact N-O 3.07Å; V91-T111 HydrophobicContact CB-CG2 4.48Å; V91-T111 HydrophobicContact CG1-CG2 4.5Å; V91-T111 HydrophobicContact CG2-CG2 3.9Å; F101-T111 WeakPolarHBondContact O-CA 3.39Å; S102-T111 PolarHBondContact OG-OG1 3.16Å; T111-Y113 HydrophobicContact CG2-CD2 4.15Å; T111-Y113 HydrophobicContact CG2-CE2 3.47Å; T111-Y113 VanDerWaalsContact CG2-CE2 3.47Å
112V97.7Very high96Very high0 Ų038.2 Ų38.20%020%0.201CC..EExtended strand (participates in β ladder)trans-126.2153.2171.3-78.90000110.1L43 T44 K45 F56 G100 F101 I103 F110L43-V112 HydrophobicContact CB-CB 4.12Å; L43-V112 HydrophobicContact CB-CG1 4.15Å; L43-V112 HydrophobicContact CD1-CB 4.18Å; L43-V112 HydrophobicContact CD1-CG1 4.39Å; L43-V112 HydrophobicContact CD1-CG2 4.1Å; T44-V112 CarbonylContact O-C 3.59Å; T44-V112 VanDerWaalsContact O-CA 3.26Å; T44-V112 WeakPolarHBondContact O-CA 3.17Å; K45-V112 HydrophobicContact CB-CG1 4.05Å; K45-V112 HydrophobicContact CG-CG1 4.33Å; F56-V112 HydrophobicContact CE2-CG1 4.14Å; F56-V112 HydrophobicContact CZ-CG1 3.77Å; G100-V112 WeakPolarHBondContact CA-O 3.34Å; F101-V112 HydrophobicContact CD1-CG2 4.18Å; F101-V112 HydrophobicContact CD2-CG2 3.7Å; F101-V112 HydrophobicContact CE1-CG2 3.86Å; F101-V112 HydrophobicContact CE2-CG2 3.34Å; F101-V112 HydrophobicContact CG-CG2 4.11Å; F101-V112 HydrophobicContact CZ-CG2 3.43Å; F101-V112 VanDerWaalsContact CZ-CG2 3.43Å; F101-V112 PolarHBondContact N-O 3.2Å; F101-V112 WeakPolarHBondContact O-CG2 3.45Å; F101-V112 PolarHBondContact O-N 3.17Å; F101-V112 VanDerWaalsContact O-O 3.09Å; I103-V112 HydrophobicContact CD1-CG2 4.02Å; F110-V112 HydrophobicContact CD2-CG1 3.86Å; F110-V112 HydrophobicContact CE2-CG1 3.84Å
113Y97.1Very high96Very high29 Ų2937.9 Ų37.911%0.11420%0.198CC..EExtended strand (participates in β ladder)trans-124.2129.9174.9-67.9-92.1000109.3T44 I46 Y97 R98 T111T44-Y113 PolarHBondContact N-O 3Å; T44-Y113 PolarHBondContact O-N 3.25Å; I46-Y113 HydrophobicContact CD1-CD2 3.67Å; I46-Y113 HydrophobicContact CD1-CE2 3.62Å; I46-Y113 HydrophobicContact CG1-CD2 3.76Å; I46-Y113 HydrophobicContact CG1-CE2 3.43Å; I46-Y113 VanDerWaalsContact CG1-CE2 3.43Å; Y97-Y113 VanDerWaalsContact C-CE1 3.5Å; Y97-Y113 HydrophobicContact CD1-CD2 4.43Å; Y97-Y113 HydrophobicContact CD1-CE2 4.22Å; R98-Y113 VanDerWaalsContact O-CD1 3.27Å; R98-Y113 WeakPolarHBondContact O-CD1 3.42Å; T111-Y113 HydrophobicContact CG2-CD2 4.15Å; T111-Y113 HydrophobicContact CG2-CE2 3.47Å; T111-Y113 VanDerWaalsContact CG2-CE2 3.47Å
114A97Very high96Very high7 Ų738.3 Ų38.36%0.05820%0.201CC..  trans-85.1160.5172.200000110.8L43 N99 E119 K120L43-A114 HydrophobicContact CD2-CB 3.84Å; N99-A114 HydrophobicContact CB-CB 4.33Å; N99-A114 PolarHBondContact O-N 3.24Å; N99-A114 VanDerWaalsContact O-N 3.15Å; A114-E119 HydrophobicContact CB-CB 3.79Å; A114-K120 HydrophobicContact CB-CB 4Å
115S93.8Very high96Very high72 Ų7241.1 Ų41.150%0.50322%0.219SC..SBendtrans-74.7-31.2-178.775.30000112E119S115-E119 WeakPolarHBondContact CB-OE2 3.25Å; S115-E119 PolarHBondContact N-OE2 2.97Å; S115-E119 PolarHBondContact OG-OE1 2.77Å; S115-E119 PolarHBondContact OG-OE2 3.48Å
116T94.7Very high96.1Very high51 Ų5141.7 Ų41.731%0.31322%0.221SC..SBendtrans-128.1165.1178.370.40000112.6E118 E119 K120T116-E118 VanDerWaalsContact C-N 3.3Å; T116-E118 WeakPolarHBondContact CB-OE2 3.31Å; T116-E119 PolarHBondContact N-OE2 3.36Å; T116-E119 WeakPolarHBondContact OG1-CB 3.43Å; T116-E119 WeakPolarHBondContact OG1-CG 3.45Å; T116-E119 PolarHBondContact OG1-N 3.28Å; T116-E119 VanDerWaalsContact OG1-N 3.12Å; T116-K120 PolarHBondContact O-N 3.02Å
117S96Very high96.3Very high59 Ų5940.9 Ų40.941%0.41322%0.216SC..Hα-helixtrans-69-34.5176.2-179.70000111.2K120 T121S117-K120 PolarHBondContact O-N 3.24Å; S117-T121 WeakPolarHBondContact O-CB 3.5Å; S117-T121 PolarHBondContact O-N 3.28Å; S117-T121 PolarHBondContact O-OG1 3.08Å
118E96.2Very high96.5Very high131 Ų13140 Ų4061%0.61222%0.215SC*.Hα-helixtrans-63.5-48.8177.2-64.267-144.700110T116 K120 T121 Q122T116-E118 VanDerWaalsContact C-N 3.3Å; T116-E118 WeakPolarHBondContact CB-OE2 3.31Å; E118-K120 PolarHBondContact O-N 3.09Å; E118-T121 WeakPolarHBondContact O-CB 3.28Å; E118-T121 PolarHBondContact O-N 3.46Å; E118-Q122 WeakPolarHBondContact O-CG 3.23Å; E118-Q122 PolarHBondContact O-N 3.21Å
119E96.1Very high96.6Very high22 Ų2240.4 Ų40.410%0.10322%0.217CC..Hα-helixtrans-58.6-48.4175.4-77.6177.4173.500111.6A114 S115 T116 T121 Q122 W123 G266A114-E119 HydrophobicContact CB-CB 3.79Å; S115-E119 WeakPolarHBondContact CB-OE2 3.25Å; S115-E119 PolarHBondContact N-OE2 2.97Å; S115-E119 PolarHBondContact OG-OE1 2.77Å; S115-E119 PolarHBondContact OG-OE2 3.48Å; T116-E119 PolarHBondContact N-OE2 3.36Å; T116-E119 WeakPolarHBondContact OG1-CB 3.43Å; T116-E119 WeakPolarHBondContact OG1-CG 3.45Å; T116-E119 PolarHBondContact OG1-N 3.28Å; T116-E119 VanDerWaalsContact OG1-N 3.12Å; E119-T121 VanDerWaalsContact C-N 3.27Å; E119-T121 PolarHBondContact O-N 3.31Å; E119-Q122 PolarHBondContact O-N 3.03Å; E119-W123 WeakPolarHBondContact O-CB 3.34Å; E119-W123 PolarHBondContact O-N 2.6Å; E119-G266 WeakPolarHBondContact OE1-CA 3.35Å
120K96.7Very high96.6Very high30 Ų3040 Ų4013%0.1321%0.214CC..Hα-helixtrans-54.3-47.8175.3162176.1174169.50111N90 V91 N99 G100 F101 A114 T116 S117 E118 Q122 W123 V124N90-K120 WeakPolarHBondContact OD1-CE 3.39Å; V91-K120 PolarHBondContact O-NZ 3.21Å; N99-K120 VanDerWaalsContact C-CD 3.44Å; N99-K120 VanDerWaalsContact CA-CD 3.49Å; N99-K120 HydrophobicContact CB-CB 3.94Å; N99-K120 HydrophobicContact CB-CD 4.02Å; G100-K120 VanDerWaalsContact O-CE 3.28Å; G100-K120 WeakPolarHBondContact O-CE 3.39Å; G100-K120 PolarHBondContact O-NZ 2.89Å; F101-K120 HydrophobicContact CD1-CG 4.18Å; A114-K120 HydrophobicContact CB-CB 4Å; T116-K120 PolarHBondContact O-N 3.02Å; S117-K120 PolarHBondContact O-N 3.24Å; E118-K120 PolarHBondContact O-N 3.09Å; K120-Q122 PolarHBondContact O-N 3.04Å; K120-W123 PolarHBondContact O-N 2.69Å; K120-V124 HydrophobicContact CG-CG2 4.31Å; K120-V124 WeakPolarHBondContact O-CB 3.49Å; K120-V124 VanDerWaalsContact O-CG2 3.27Å; K120-V124 WeakPolarHBondContact O-CG2 3.37Å; K120-V124 PolarHBondContact O-N 2.99Å
121T96.9Very high96.4Very high69 Ų6940.7 Ų40.742%0.42322%0.218SC..Hα-helixtrans-61-47.7-176.9-60.90000110.4S117 E118 E119 V124 V125S117-T121 WeakPolarHBondContact O-CB 3.5Å; S117-T121 PolarHBondContact O-N 3.28Å; S117-T121 PolarHBondContact O-OG1 3.08Å; E118-T121 WeakPolarHBondContact O-CB 3.28Å; E118-T121 PolarHBondContact O-N 3.46Å; E119-T121 VanDerWaalsContact C-N 3.27Å; E119-T121 PolarHBondContact O-N 3.31Å; T121-V124 PolarHBondContact O-N 3.48Å; T121-V125 HydrophobicContact CG2-CG2 4.41Å; T121-V125 WeakPolarHBondContact O-CB 3.42Å; T121-V125 VanDerWaalsContact O-CG2 3.25Å; T121-V125 WeakPolarHBondContact O-CG2 3.5Å; T121-V125 PolarHBondContact O-N 3.29Å
122Q97.1Very high96.2Very high78 Ų7844.3 Ų44.336%0.36424%0.244SC..Hα-helixtrans-62.1-47.9177.4-67.8-63.1-48.600112.1E118 E119 K120 V124 V125 H126 L265E118-Q122 WeakPolarHBondContact O-CG 3.23Å; E118-Q122 PolarHBondContact O-N 3.21Å; E119-Q122 PolarHBondContact O-N 3.03Å; K120-Q122 PolarHBondContact O-N 3.04Å; Q122-V124 VanDerWaalsContact C-N 3.34Å; Q122-V124 PolarHBondContact O-N 2.88Å; Q122-V125 PolarHBondContact O-N 2.95Å; Q122-H126 WeakPolarHBondContact O-CB 3.34Å; Q122-H126 PolarHBondContact O-CD2 2.76Å; Q122-H126 PolarHBondContact O-N 3.04Å; Q122-H126 PolarHBondContact OE1-NE2 3.15Å; Q122-L265 HydrophobicContact CB-CD1 4.3Å; Q122-L265 HydrophobicContact CB-CD2 3.36Å; Q122-L265 HydrophobicContact CB-CG 4.48Å; Q122-L265 HydrophobicContact CG-CD2 3.95Å
123W97.8Very high95.9Very high2 Ų248.5 Ų48.51%0.00827%0.273CS..Hα-helixtrans-55.2-48.9175.9-87.4108000111.9L43 F56 L58 L63 F101 E119 K120 L127 L265L43-W123 HydrophobicContact CD1-CD2 4.13Å; L43-W123 HydrophobicContact CD1-CG 4.47Å; L43-W123 HydrophobicContact CD1-CZ2 4.35Å; F56-W123 HydrophobicContact CB-CH2 3.61Å; F56-W123 HydrophobicContact CB-CZ2 4.14Å; F56-W123 HydrophobicContact CB-CZ3 4.27Å; L58-W123 HydrophobicContact CB-CH2 4.43Å; L58-W123 HydrophobicContact CB-CZ3 3.86Å; L63-W123 HydrophobicContact CD1-CZ3 4.09Å; F101-W123 HydrophobicContact CE1-CB 4.01Å; F101-W123 HydrophobicContact CE1-CG 4.49Å; F101-W123 HydrophobicContact CE2-CB 4.37Å; F101-W123 HydrophobicContact CZ-CB 3.63Å; F101-W123 HydrophobicContact CZ-CG 4.01Å; E119-W123 WeakPolarHBondContact O-CB 3.34Å; E119-W123 PolarHBondContact O-N 2.6Å; K120-W123 PolarHBondContact O-N 2.69Å; W123-L127 HydrophobicContact CE3-CD1 4.23Å; W123-L127 HydrophobicContact CE3-CG 4.47Å; W123-L127 VanDerWaalsContact O-CB 3.23Å; W123-L127 WeakPolarHBondContact O-CB 3.48Å; W123-L127 WeakPolarHBondContact O-CD1 3.38Å; W123-L127 VanDerWaalsContact O-CG 3.28Å; W123-L127 WeakPolarHBondContact O-CG 3.38Å; W123-L127 PolarHBondContact O-N 2.72Å; W123-L265 HydrophobicContact CD2-CD1 3.68Å; W123-L265 HydrophobicContact CE3-CD1 4.25Å; W123-L265 HydrophobicContact CG-CD1 3.86Å; W123-L265 HydrophobicContact CZ2-CB 4.2Å; W123-L265 HydrophobicContact CZ2-CD1 4.13Å
124V97.9Very high95.4Very high10 Ų1048.5 Ų48.56%0.06128%0.277CS..Hα-helixtrans-65.8-41.3-179.1172.30000111.5V88 F101 K120 T121 Q122 K128V88-V124 HydrophobicContact CG1-CG1 4.34Å; V88-V124 HydrophobicContact CG1-CG2 4.14Å; F101-V124 HydrophobicContact CB-CG2 3.91Å; F101-V124 HydrophobicContact CD1-CG2 4.13Å; F101-V124 HydrophobicContact CD2-CG2 4.21Å; F101-V124 HydrophobicContact CG-CG2 3.83Å; K120-V124 HydrophobicContact CG-CG2 4.31Å; K120-V124 WeakPolarHBondContact O-CB 3.49Å; K120-V124 VanDerWaalsContact O-CG2 3.27Å; K120-V124 WeakPolarHBondContact O-CG2 3.37Å; K120-V124 PolarHBondContact O-N 2.99Å; T121-V124 PolarHBondContact O-N 3.48Å; Q122-V124 VanDerWaalsContact C-N 3.34Å; Q122-V124 PolarHBondContact O-N 2.88Å; V124-K128 HydrophobicContact CG1-CD 4.02Å; V124-K128 HydrophobicContact CG1-CG 4.5Å; V124-K128 WeakPolarHBondContact O-CB 3.41Å; V124-K128 VanDerWaalsContact O-CG 3.24Å; V124-K128 WeakPolarHBondContact O-CG 3.34Å; V124-K128 PolarHBondContact O-N 2.85Å
125V97.1Very high94.6Very high80 Ų8049.5 Ų49.549%0.48529%0.286SS..Hα-helixtrans-62.9-51.9177.1166.20000110.8T121 Q122 K128 K129T121-V125 HydrophobicContact CG2-CG2 4.41Å; T121-V125 WeakPolarHBondContact O-CB 3.42Å; T121-V125 VanDerWaalsContact O-CG2 3.25Å; T121-V125 WeakPolarHBondContact O-CG2 3.5Å; T121-V125 PolarHBondContact O-N 3.29Å; Q122-V125 PolarHBondContact O-N 2.95Å; V125-K128 PolarHBondContact O-N 3.39Å; V125-K129 PolarHBondContact O-N 3.49Å
126H97.1Very high93.4Very high16 Ų1650.7 Ų50.77%0.07429%0.294CS..Hα-helixtrans-65.7-43.3-178.5-72.1-61.6000112.2V38 L58 Q122 K128 K129 C130 T263V38-H126 HydrophobicContact CG1-CB 3.88Å; L58-H126 HydrophobicContact CD2-CB 3.62Å; Q122-H126 WeakPolarHBondContact O-CB 3.34Å; Q122-H126 PolarHBondContact O-CD2 2.76Å; Q122-H126 PolarHBondContact O-N 3.04Å; Q122-H126 PolarHBondContact OE1-NE2 3.15Å; H126-K128 PolarHBondContact O-N 3.3Å; H126-K129 PolarHBondContact O-N 3.05Å; H126-C130 PolarHBondContact O-N 2.9Å; H126-C130 PolarHBondContact O-SG 2.88Å; H126-T263 PolarHBondContact NE2-OG1 2.96Å
127L97.3Very high91.9Very high0 Ų055 Ų550%033%0.326CS..Hα-helixtrans-59.7-48.1176.1-80.6162.2000111.5L58 L63 L83 V88 F101 I103 W123 K129 C130 I131L58-L127 HydrophobicContact CD1-CD2 3.62Å; L58-L127 HydrophobicContact CD1-CG 4.36Å; L58-L127 HydrophobicContact CD2-CD2 4.32Å; L58-L127 HydrophobicContact CD2-CG 4.16Å; L63-L127 HydrophobicContact CD2-CD2 4.33Å; L83-L127 HydrophobicContact CD2-CD2 4.22Å; V88-L127 HydrophobicContact CG2-CB 3.74Å; V88-L127 HydrophobicContact CG2-CD1 3.92Å; V88-L127 HydrophobicContact CG2-CG 4.29Å; F101-L127 HydrophobicContact CD2-CD1 4.43Å; F101-L127 HydrophobicContact CE2-CD1 3.72Å; I103-L127 HydrophobicContact CD1-CD1 4.39Å; I103-L127 HydrophobicContact CG1-CD1 4.25Å; W123-L127 HydrophobicContact CE3-CD1 4.23Å; W123-L127 HydrophobicContact CE3-CG 4.47Å; W123-L127 VanDerWaalsContact O-CB 3.23Å; W123-L127 WeakPolarHBondContact O-CB 3.48Å; W123-L127 WeakPolarHBondContact O-CD1 3.38Å; W123-L127 VanDerWaalsContact O-CG 3.28Å; W123-L127 WeakPolarHBondContact O-CG 3.38Å; W123-L127 PolarHBondContact O-N 2.72Å; L127-K129 VanDerWaalsContact C-N 3.31Å; L127-K129 PolarHBondContact O-N 3.42Å; L127-C130 PolarHBondContact O-N 3.37Å; L127-I131 HydrophobicContact CB-CD1 4.46Å; L127-I131 WeakPolarHBondContact O-CB 3.38Å; L127-I131 WeakPolarHBondContact O-CD1 3.25Å; L127-I131 WeakPolarHBondContact O-CG1 3.1Å; L127-I131 PolarHBondContact O-N 3.28Å
128K96.1Very high90.1Very high101 Ų10156 Ų5644%0.43935%0.345SS..Hα-helixtrans-58.7-43.5178.3-77.8177.6175.2-176.40111.6V124 V125 H126 S132V124-K128 HydrophobicContact CG1-CD 4.02Å; V124-K128 HydrophobicContact CG1-CG 4.5Å; V124-K128 WeakPolarHBondContact O-CB 3.41Å; V124-K128 VanDerWaalsContact O-CG 3.24Å; V124-K128 WeakPolarHBondContact O-CG 3.34Å; V124-K128 PolarHBondContact O-N 2.85Å; V125-K128 PolarHBondContact O-N 3.39Å; H126-K128 PolarHBondContact O-N 3.3Å; K128-S132 WeakPolarHBondContact O-CB 3.27Å; K128-S132 PolarHBondContact O-N 3.38Å; K128-S132 PolarHBondContact O-OG 3.05Å; K128-S132 VanDerWaalsContact O-OG 3.04Å
129K95Very high88.3Confident59 Ų5955.4 Ų55.426%0.25734%0.344SS..Hα-helixtrans-61.7-47177.4-175.1175.9177.8-178.80112.2V125 H126 L127 S132 S133 C258 I260V125-K129 PolarHBondContact O-N 3.49Å; H126-K129 PolarHBondContact O-N 3.05Å; L127-K129 VanDerWaalsContact C-N 3.31Å; L127-K129 PolarHBondContact O-N 3.42Å; K129-S132 PolarHBondContact O-N 3.38Å; K129-S133 WeakPolarHBondContact O-CB 3.44Å; K129-S133 PolarHBondContact O-N 2.93Å; K129-S133 VanDerWaalsContact O-N 3.08Å; K129-S133 PolarHBondContact O-OG 2.88Å; K129-C258 VanDerWaalsContact CE-O 3.3Å; K129-C258 WeakPolarHBondContact CE-O 3.45Å; K129-C258 PolarHBondContact NZ-O 3.19Å; K129-C258 PolarHBondContact NZ-SG 3.13Å; K129-I260 HydrophobicContact CD-CG1 4.16Å
130C95.5Very high86.4Confident1 Ų161.8 Ų61.81%0.00737%0.374CS..Hα-helixtrans-65.5-43.5179.6-620000111.9L58 S60 L83 H126 L127 S133 S134L58-C130 HydrophobicContact CD1-CB 4.45Å; S60-C130 WeakPolarHBondContact O-CB 3.15Å; L83-C130 HydrophobicContact CD1-CB 3.59Å; H126-C130 PolarHBondContact O-N 2.9Å; H126-C130 PolarHBondContact O-SG 2.88Å; L127-C130 PolarHBondContact O-N 3.37Å; C130-S133 PolarHBondContact O-N 3.4Å; C130-S134 WeakPolarHBondContact O-CB 3.33Å; C130-S134 PolarHBondContact O-N 2.95Å; C130-S134 PolarHBondContact O-OG 3.15Å
131I94Very high84.7Confident20 Ų2067.6 Ų67.610%0.10340%0.396CS..Hα-helixtrans-59.3-49.5176.3-71.4165.3000110.7L83 S86 V88 L127 S133 S134 A135L83-I131 HydrophobicContact CB-CG1 4.05Å; L83-I131 HydrophobicContact CD2-CG1 4.09Å; S86-I131 WeakPolarHBondContact O-CG2 3.36Å; V88-I131 HydrophobicContact CG2-CD1 3.77Å; L127-I131 HydrophobicContact CB-CD1 4.46Å; L127-I131 WeakPolarHBondContact O-CB 3.38Å; L127-I131 WeakPolarHBondContact O-CD1 3.25Å; L127-I131 WeakPolarHBondContact O-CG1 3.1Å; L127-I131 PolarHBondContact O-N 3.28Å; I131-S133 PolarHBondContact O-N 2.91Å; I131-S134 PolarHBondContact O-N 2.84Å; I131-A135 PolarHBondContact O-N 2.94Å; I131-A135 VanDerWaalsContact O-N 3.09Å
132S92.6Very high83.3Confident93 Ų9370.6 Ų70.665%0.6541%0.41SS*.Hα-helixtrans-62.6-30178.6-63.20000113.2K128 K129K128-S132 WeakPolarHBondContact O-CB 3.27Å; K128-S132 PolarHBondContact O-N 3.38Å; K128-S132 PolarHBondContact O-OG 3.05Å; K128-S132 VanDerWaalsContact O-OG 3.04Å; K129-S132 PolarHBondContact O-N 3.38Å
133S91.2Very high82.1Confident89 Ų8971.2 Ų71.262%0.62242%0.422SS*.Hα-helixtrans-83.8-24.6179-50.50000112.9K129 C130 I131K129-S133 WeakPolarHBondContact O-CB 3.44Å; K129-S133 PolarHBondContact O-N 2.93Å; K129-S133 VanDerWaalsContact O-N 3.08Å; K129-S133 PolarHBondContact O-OG 2.88Å; C130-S133 PolarHBondContact O-N 3.4Å; I131-S133 PolarHBondContact O-N 2.91Å
134S87.3Confident81.3Confident28 Ų2872.5 Ų72.520%0.19643%0.431CS..Hα-helixtrans-85.5-27.8-179.8-59.70000112.9S60 D61 C130 I131 S136S60-S134 PolarHBondContact O-OG 2.89Å; D61-S134 WeakPolarHBondContact CA-OG 3.32Å; C130-S134 WeakPolarHBondContact O-CB 3.33Å; C130-S134 PolarHBondContact O-N 2.95Å; C130-S134 PolarHBondContact O-OG 3.15Å; I131-S134 PolarHBondContact O-N 2.84Å; S134-S136 PolarHBondContact O-N 2.94Å
135A79.4Confident80.9Confident29 Ų2977.5 Ų77.524%0.2445%0.451CS..SBendtrans-66.4120.9178.500000110.3I131 S137I131-A135 PolarHBondContact O-N 2.94Å; I131-A135 VanDerWaalsContact O-N 3.09Å; A135-S137 PolarHBondContact O-N 3.3Å
136S70.2Confident80.7Confident96 Ų9675.4 Ų75.467%0.67144%0.436SS*.  trans-59.2128.9172.4-63.10000109.4S134 G138 M139S134-S136 PolarHBondContact O-N 2.94Å; S136-G138 PolarHBondContact O-N 3.49Å; S136-M139 PolarHBondContact O-N 3.47Å; S136-M139 VanDerWaalsContact O-N 3.17Å
137S63Low80.6Confident142 Ų14275 Ų7599%0.99344%0.435SS*.THydrogen-bonded Turntrans-57.60.1-169.8-45.80000116.5A135A135-S137 PolarHBondContact O-N 3.3Å
138G57.2Low80.5Confident79 Ų7976.1 Ų76.181%0.81444%0.442SS*.THydrogen-bonded Turntrans-115.2-9.5-178.900000116.5S136S136-G138 PolarHBondContact O-N 3.49Å
139M58.2Low80.4Confident119 Ų11974.2 Ų74.259%0.58644%0.436SS*.SBendtrans-102.1119.8-178.1-143.3155.781.700110.1S136 Y141 V144S136-M139 PolarHBondContact O-N 3.47Å; S136-M139 VanDerWaalsContact O-N 3.17Å; M139-Y141 PolarHBondContact O-N 3.43Å; M139-V144 HydrophobicContact CE-CG2 4.18Å
140Q58Low80.4Confident157 Ų15773.9 Ų73.973%0.73443%0.433SS*.  trans-64.6100.5177-68-151.729.900109.7D142 S143Q140-D142 PolarHBondContact O-N 3.18Å; Q140-S143 WeakPolarHBondContact O-CB 3.35Å; Q140-S143 PolarHBondContact O-N 3.34Å; Q140-S143 PolarHBondContact O-OG 2.75Å
141Y60.4Low80.4Confident152 Ų15276 Ų7660%0.59644%0.444SS*.G310 helixtrans-50-32.6-17572.3-87.3000114.1M139 S143 V144M139-Y141 PolarHBondContact O-N 3.43Å; Y141-S143 VanDerWaalsContact C-N 3.27Å; Y141-S143 PolarHBondContact O-N 3.17Å; Y141-V144 PolarHBondContact O-N 3.43Å
142D66.3Low80.3Confident132 Ų13275.9 Ų75.971%0.70644%0.444SS*.G310 helixtrans-74.5-18.4-176.7-156.133.2000112.5Q140 V144Q140-D142 PolarHBondContact O-N 3.18Å; D142-V144 VanDerWaalsContact C-N 3.31Å; D142-V144 PolarHBondContact O-N 2.62Å
143S72.8Confident80.3Confident90 Ų9073 Ų7363%0.62942%0.422SS*.G310 helixtrans-74.9-20.4176.169.80000113.4Q140 Y141 K145Q140-S143 WeakPolarHBondContact O-CB 3.35Å; Q140-S143 PolarHBondContact O-N 3.34Å; Q140-S143 PolarHBondContact O-OG 2.75Å; Y141-S143 VanDerWaalsContact C-N 3.27Å; Y141-S143 PolarHBondContact O-N 3.17Å; S143-K145 PolarHBondContact O-N 2.9Å
144V80.7Confident80.3Confident30 Ų3073.8 Ų73.818%0.18243%0.427CS..SBendtrans-79.2108.6-176.81780000109.7D85 P106 M139 Y141 D142 K146D85-V144 HydrophobicContact CB-CG1 4.17Å; P106-V144 HydrophobicContact CG-CG1 3.8Å; M139-V144 HydrophobicContact CE-CG2 4.18Å; Y141-V144 PolarHBondContact O-N 3.43Å; D142-V144 VanDerWaalsContact C-N 3.31Å; D142-V144 PolarHBondContact O-N 2.62Å; V144-K146 VanDerWaalsContact CB-NZ 3.34Å; V144-K146 WeakPolarHBondContact O-CD 3.14Å; V144-K146 VanDerWaalsContact O-CE 3.25Å; V144-K146 WeakPolarHBondContact O-CE 3.38Å; V144-K146 PolarHBondContact O-N 3.12Å; V144-K146 PolarHBondContact O-NZ 2.73Å; V144-K146 VanDerWaalsContact O-NZ 3.12Å
145K89.6Confident80.5Confident114 Ų11478.7 Ų78.750%0.49645%0.447SS..PPolyproline II helixtrans-56.9123.8177.6-167.279.7174.5-165.40111.2S143 Y196S143-K145 PolarHBondContact O-N 2.9Å; K145-Y196 HydrophobicContact CB-CD1 4.09Å; K145-Y196 HydrophobicContact CB-CE1 4.46Å; K145-Y196 HydrophobicContact CB-CG 4.23Å; K145-Y196 HydrophobicContact CG-CD1 3.96Å; K145-Y196 HydrophobicContact CG-CD2 4.48Å; K145-Y196 HydrophobicContact CG-CE1 3.82Å; K145-Y196 HydrophobicContact CG-CE2 4.37Å; K145-Y196 HydrophobicContact CG-CG 4.29Å
146K92.3Very high81.3Confident37 Ų3777.5 Ų77.516%0.16144%0.437CS..PPolyproline II helixtrans-93.4154.2175.1-47.1-52.7179.5-152.80111.4D85 L104 P106 V144D85-K146 WeakPolarHBondContact O-CD 3.2Å; D85-K146 WeakPolarHBondContact O-CE 3.25Å; D85-K146 PolarHBondContact O-NZ 3.17Å; L104-K146 HydrophobicContact CB-CB 4.27Å; L104-K146 HydrophobicContact CB-CG 4.17Å; P106-K146 HydrophobicContact CG-CD 4.39Å; V144-K146 VanDerWaalsContact CB-NZ 3.34Å; V144-K146 WeakPolarHBondContact O-CD 3.14Å; V144-K146 VanDerWaalsContact O-CE 3.25Å; V144-K146 WeakPolarHBondContact O-CE 3.38Å; V144-K146 PolarHBondContact O-N 3.12Å; V144-K146 PolarHBondContact O-NZ 2.73Å; V144-K146 VanDerWaalsContact O-NZ 3.12Å
147S94.8Very high82.6Confident7 Ų776.3 Ų76.35%0.04943%0.429CS..PPolyproline II helixtrans-59.8145166179.70000109.7S105 P106 S109 Q197S105-S147 PolarHBondContact O-N 3.47Å; P106-S147 WeakPolarHBondContact O-CB 3.37Å; P106-S147 PolarHBondContact O-N 3.13Å; S109-S147 WeakPolarHBondContact CB-O 3.31Å; S109-S147 PolarHBondContact OG-O 3.39Å; S147-Q197 PolarHBondContact OG-NE2 3.02Å; S147-Q197 VanDerWaalsContact OG-NE2 3.1Å
148P95.7Very high84.3Confident24 Ų2473 Ų7316%0.15640%0.398CS..PPolyproline II helixtrans-66.7152.4168.431.6-38.5000110.5R177 H178 C179 G180P148-R177 VanDerWaalsContact CD-O 3.3Å; P148-R177 WeakPolarHBondContact CD-O 3.3Å; P148-R177 WeakPolarHBondContact CG-O 3.41Å; P148-H178 WeakPolarHBondContact CD-O 3.12Å; P148-H178 WeakPolarHBondContact CG-O 3.44Å; P148-C179 VanDerWaalsContact CB-C 3.48Å; P148-G180 VanDerWaalsContact CG-N 3.31Å
149I95.2Very high86.3Confident60 Ų6069.3 Ų69.331%0.30836%0.359SS..PPolyproline II helixtrans-73.1131158.3-60.1175.9000106.7S102 L104S102-I149 WeakPolarHBondContact OG-CD1 3.24Å; L104-I149 HydrophobicContact CD2-CD1 3.83Å; L104-I149 HydrophobicContact CD2-CG1 3.82Å
150W94.6Very high88.2Confident52 Ų5266.8 Ų66.820%0.19735%0.347CS..PPolyproline II helixtrans-81.9137.3179.7-67.514.6000110.2R48 H175 R177R48-W150 VanDerWaalsContact CD-CE3 3.47Å; R48-W150 HydrophobicContact CG-CE3 4.1Å; W150-H175 HydrophobicContact CD2-CB 3.61Å; W150-H175 AromaticContact CD2-CG 3.79Å; W150-H175 HydrophobicContact CE3-CB 3.31Å; W150-H175 AromaticContact CE3-CD2 3.83Å; W150-H175 AromaticContact CE3-CG 3.23Å; W150-H175 AromaticContact CE3-ND1 3.48Å; W150-H175 HydrophobicContact CG-CB 4.25Å; W150-H175 HydrophobicContact CH2-CB 4.29Å; W150-H175 HydrophobicContact CZ3-CB 3.68Å; W150-H175 AromaticContact CZ3-CG 3.89Å; W150-H175 AromaticContact CZ3-ND1 3.88Å; W150-R177 HydrophobicContact CH2-CG 4.45Å; W150-R177 HydrophobicContact CZ2-CG 3.84Å
151I94.2Very high90.2Very high46 Ų4661.3 Ų61.324%0.23632%0.324CS..PPolyproline II helixtrans-69.1128.3176.8-62.6174.1000108.4E155 M160 H175 G180 V182I151-E155 HydrophobicContact CG2-CB 3.7Å; I151-M160 HydrophobicContact CD1-CE 3.79Å; I151-M160 HydrophobicContact CD1-SD 3.55Å; I151-M160 VanDerWaalsContact CD1-SD 3.55Å; I151-M160 HydrophobicContact CG2-CE 4Å; I151-H175 PolarHBondContact O-NE2 3.21Å; I151-G180 PolarHBondContact N-O 2.93Å; I151-G180 VanDerWaalsContact N-O 3.1Å; I151-V182 HydrophobicContact CB-CG2 4.02Å; I151-V182 HydrophobicContact CG2-CG2 4.11Å
152P92.5Very high92Very high17 Ų1756.3 Ų56.311%0.1131%0.311CS..PPolyproline II helixtrans-54.4147.8176.1-27.736.4000112.9I46 S154 E155I46-P152 HydrophobicContact CG2-CG 4.09Å; P152-S154 PolarHBondContact O-N 2.81Å; P152-E155 HydrophobicContact CB-CG 4.29Å; P152-E155 HydrophobicContact CG-CG 4.46Å; P152-E155 WeakPolarHBondContact CG-OE1 3.34Å; P152-E155 PolarHBondContact O-N 3.42Å
153D93.1Very high93.5Very high32 Ų3252.3 Ų52.317%0.17130%0.301CS..G310 helixtrans-58.8-35.6-178.2-78-17.9000111.8R48 E155 A156 R173 H175R48-D153 PolarHBondContact O-N 2.83Å; D153-E155 PolarHBondContact O-N 3.04Å; D153-A156 PolarHBondContact O-N 3.39Å; D153-R173 WeakPolarHBondContact O-CD 3.23Å; D153-R173 PolarHBondContact O-NE 2.95Å; D153-H175 IonicContact OD1-CE1 2.58Å; D153-H175 PolarHBondContact OD1-CE1 2.92Å; D153-H175 IonicContact OD1-NE2 3.16Å
154S90.4Very high94.7Very high106 Ų10653.5 Ų53.574%0.74130%0.304SS*.G310 helixtrans-66.6-20.4178.852.90000114.1P152P152-S154 PolarHBondContact O-N 2.81Å
155E92.4Very high95.5Very high132 Ų13253.2 Ų53.262%0.61730%0.303SS*.G310 helixtrans-88.9-3.1-178.6-69.4-179.3-151.900113.1I151 P152 D153I151-E155 HydrophobicContact CG2-CB 3.7Å; P152-E155 HydrophobicContact CB-CG 4.29Å; P152-E155 HydrophobicContact CG-CG 4.46Å; P152-E155 WeakPolarHBondContact CG-OE1 3.34Å; P152-E155 PolarHBondContact O-N 3.42Å; D153-E155 PolarHBondContact O-N 3.04Å
156A96.3Very high96Very high3 Ų353.2 Ų53.23%0.02530%0.304CS..  trans-127.1104.9179.200000110.8D153 M160 F167 R173 V182D153-A156 PolarHBondContact O-N 3.39Å; A156-M160 HydrophobicContact CB-CE 3.88Å; A156-M160 HydrophobicContact CB-SD 4.49Å; A156-F167 HydrophobicContact CB-CE2 4.3Å; A156-F167 WeakPolarHBondContact O-CD2 3.34Å; A156-R173 VanDerWaalsContact O-CZ 3.26Å; A156-R173 PolarHBondContact O-NE 3.25Å; A156-R173 PolarHBondContact O-NH2 2.92Å; A156-V182 HydrophobicContact CB-CB 3.51Å; A156-V182 HydrophobicContact CB-CG1 3.94Å; A156-V182 HydrophobicContact CB-CG2 3.58Å
157S97.7Very high96.3Very high72 Ų7252 Ų5250%0.50330%0.299SS..SBendtrans-78.7-29.1169.6580000112.2F167S157-F167 PolarHBondContact O-N 3.23Å
158H98.6Very high96.3Very high72 Ų7255 Ų5533%0.33332%0.315SS..BIsolated β-bridgetrans-128.3158.6-178.3-6670.7000111.9M160 G163 T165 F167H158-M160 PolarHBondContact O-N 3.1Å; H158-G163 PolarHBondContact CD2-O 2.89Å; H158-T165 CarbonylContact C-O 3.16Å; H158-T165 VanDerWaalsContact CA-O 3.23Å; H158-T165 WeakPolarHBondContact CA-O 3.26Å; H158-F167 VanDerWaalsContact O-CE2 3.23Å; H158-F167 WeakPolarHBondContact O-CE2 3.27Å
159C98.7Very high96.3Very high1 Ų161.1 Ų61.11%0.00735%0.345CS..  trans-58.8123.6174.1174.50000111.2V161 C162 G163 T165 F167 C184C159-V161 PolarHBondContact O-N 3.34Å; C159-V161 PolarHBondContact SG-N 2.64Å; C159-C162 VanDerWaalsContact CB-SG 3.56Å; C159-G163 VanDerWaalsContact O-CA 3.26Å; C159-G163 WeakPolarHBondContact O-CA 3.47Å; C159-G163 PolarHBondContact O-N 3.1Å; C159-T165 PolarHBondContact N-O 2.86Å; C159-F167 VanDerWaalsContact CA-CZ 3.5Å; C159-F167 HydrophobicContact CB-CE1 4.44Å; C159-F167 HydrophobicContact CB-CE2 4.44Å; C159-F167 HydrophobicContact CB-CZ 3.89Å; C159-F167 VanDerWaalsContact N-CE2 3.34Å; C159-C184 HydrophobicContact CB-CB 4.11Å; C159-C184 PolarHBondContact SG-N 3.31Å; C159-C184 VanDerWaalsContact SG-N 3.36Å
160M98.6Very high96.3Very high67 Ų6764 Ų6433%0.3337%0.365SS..THydrogen-bonded Turntrans-76.315-178.7-60.6179.8150.900114.4I151 A156 H158 K181 V182I151-M160 HydrophobicContact CD1-CE 3.79Å; I151-M160 HydrophobicContact CD1-SD 3.55Å; I151-M160 VanDerWaalsContact CD1-SD 3.55Å; I151-M160 HydrophobicContact CG2-CE 4Å; A156-M160 HydrophobicContact CB-CE 3.88Å; A156-M160 HydrophobicContact CB-SD 4.49Å; H158-M160 PolarHBondContact O-N 3.1Å; M160-K181 HydrophobicContact CB-CB 4.11Å; M160-K181 HydrophobicContact CB-CD 4.11Å; M160-K181 HydrophobicContact CB-CG 4.32Å; M160-K181 HydrophobicContact SD-CB 4.09Å; M160-K181 HydrophobicContact SD-CG 4.23Å; M160-V182 WeakPolarHBondContact CB-O 3.33Å; M160-V182 WeakPolarHBondContact CG-O 3.4Å; M160-V182 PolarHBondContact N-O 3.45Å; M160-V182 HydrophobicContact SD-CB 4.32Å; M160-V182 HydrophobicContact SD-CG2 4.42Å
161V98.5Very high96.5Very high42 Ų4265.7 Ų65.726%0.25538%0.375SS..THydrogen-bonded Turntrans-118.8-59.5175.5171.70000110C159 V183 C187 C205 V207C159-V161 PolarHBondContact O-N 3.34Å; C159-V161 PolarHBondContact SG-N 2.64Å; V161-V183 HydrophobicContact CB-CG1 4.37Å; V161-V183 HydrophobicContact CG2-CG1 3.53Å; V161-C187 HydrophobicContact CB-CB 3.91Å; V161-C187 HydrophobicContact CG1-CB 3.89Å; V161-C205 HydrophobicContact CG2-CB 3.89Å; V161-V207 HydrophobicContact CG1-CG2 4.1Å
162C98.3Very high96.6Very high47 Ų4769.6 Ų69.632%0.31839%0.387SS..THydrogen-bonded Turntrans-84.3-22178.464.70000113.9C159 T164 T165 C187C159-C162 VanDerWaalsContact CB-SG 3.56Å; C162-T164 PolarHBondContact O-N 2.99Å; C162-T164 PolarHBondContact SG-OG1 3.12Å; C162-T164 VanDerWaalsContact SG-OG1 3.33Å; C162-T165 PolarHBondContact SG-OG1 3.32Å; C162-C187 VanDerWaalsContact CB-SG 3.59Å
163G98.2Very high96.9Very high48 Ų4872.6 Ų72.650%0.49540%0.396SS..SBendtrans68.6-16.7-173.300000115.1H158 C159H158-G163 PolarHBondContact CD2-O 2.89Å; C159-G163 VanDerWaalsContact O-CA 3.26Å; C159-G163 WeakPolarHBondContact O-CA 3.47Å; C159-G163 PolarHBondContact O-N 3.1Å
164T98.4Very high97.1Very high114 Ų11473.4 Ų73.470%0.69940%0.399SS*.  trans-93-29.5-171.557.20000114.3C162 E166C162-T164 PolarHBondContact O-N 2.99Å; C162-T164 PolarHBondContact SG-OG1 3.12Å; C162-T164 VanDerWaalsContact SG-OG1 3.33Å; T164-E166 PolarHBondContact O-N 2.6Å
165T98.4Very high97.5Very high24 Ų2468.5 Ų68.515%0.14736%0.364CS..  trans-81.2106.4-179.1-54.20000109.9H158 C159 C162 H171 C184H158-T165 CarbonylContact C-O 3.16Å; H158-T165 VanDerWaalsContact CA-O 3.23Å; H158-T165 WeakPolarHBondContact CA-O 3.26Å; C159-T165 PolarHBondContact N-O 2.86Å; C162-T165 PolarHBondContact SG-OG1 3.32Å; T165-H171 HydrophobicContact CG2-CB 3.82Å; T165-C184 HydrophobicContact CG2-CB 3.75Å
166E98.5Very high97.7Very high114 Ų11462.2 Ų62.253%0.53334%0.335SS..BIsolated β-bridgetrans-69.5135.2165.1-170.4-178.1-169.200110.3T164 H171T164-E166 PolarHBondContact O-N 2.6Å; E166-H171 WeakPolarHBondContact O-CB 3.41Å
167F98.4Very high97.8Very high12 Ų1264.2 Ų64.25%0.05334%0.342CS..  trans-88.8127-179.9-67.1-58.9000112.3A156 S157 H158 C159 H171 R173 V182 C184A156-F167 HydrophobicContact CB-CE2 4.3Å; A156-F167 WeakPolarHBondContact O-CD2 3.34Å; S157-F167 PolarHBondContact O-N 3.23Å; H158-F167 VanDerWaalsContact O-CE2 3.23Å; H158-F167 WeakPolarHBondContact O-CE2 3.27Å; C159-F167 VanDerWaalsContact CA-CZ 3.5Å; C159-F167 HydrophobicContact CB-CE1 4.44Å; C159-F167 HydrophobicContact CB-CE2 4.44Å; C159-F167 HydrophobicContact CB-CZ 3.89Å; C159-F167 VanDerWaalsContact N-CE2 3.34Å; F167-H171 WeakPolarHBondContact CA-O 3.3Å; F167-H171 WeakPolarHBondContact CD1-O 3.35Å; F167-R173 HydrophobicContact CB-CG 3.83Å; F167-R173 VanDerWaalsContact CB-CZ 3.42Å; F167-R173 HydrophobicContact CD1-CG 3.73Å; F167-R173 HydrophobicContact CD2-CG 3.63Å; F167-R173 HydrophobicContact CE1-CG 4.11Å; F167-R173 HydrophobicContact CE2-CG 4Å; F167-R173 HydrophobicContact CG-CG 3.47Å; F167-R173 VanDerWaalsContact CG-CG 3.47Å; F167-R173 HydrophobicContact CZ-CG 4.22Å; F167-V182 HydrophobicContact CD2-CG1 4.36Å; F167-V182 HydrophobicContact CE2-CB 4.24Å; F167-V182 HydrophobicContact CE2-CG1 3.58Å; F167-V182 HydrophobicContact CZ-CG1 3.79Å; F167-C184 HydrophobicContact CE1-CB 3.95Å
168N96.3Very high97.7Very high70 Ų7062 Ų6237%0.37432%0.324SS..SBendtrans-148.3-163.4179.459.940000110.6V170 H171N168-V170 PolarHBondContact O-N 3.4Å; N168-V170 WeakPolarHBondContact OD1-CA 3.27Å; N168-V170 WeakPolarHBondContact OD1-CB 3.33Å; N168-V170 PolarHBondContact OD1-N 2.88Å; N168-H171 PolarHBondContact N-O 2.84Å; N168-H171 CarbonylContact O-C 3.39Å; N168-H171 PolarHBondContact OD1-N 2.93Å
169L95Very high97.6Very high153 Ų15360.7 Ų60.780%0.80132%0.322SS*.SBendtrans-63.3-27.7-179.9-66.9179.2000113.1R172L169-R172 VanDerWaalsContact O-CD 3.23Å; L169-R172 WeakPolarHBondContact O-CD 3.43Å
170V96.2Very high97.5Very high120 Ų12060.6 Ų60.673%0.72732%0.321SS*.SBendtrans-87.7-52.1178.3-178.30000110.6N168 R172N168-V170 PolarHBondContact O-N 3.4Å; N168-V170 WeakPolarHBondContact OD1-CA 3.27Å; N168-V170 WeakPolarHBondContact OD1-CB 3.33Å; N168-V170 PolarHBondContact OD1-N 2.88Å; V170-R172 PolarHBondContact O-N 3Å
171H97.5Very high97.5Very high87 Ų8761.8 Ų61.840%0.40333%0.325SS..SBendtrans-88.492.1177-61.2115.8000110.4T165 E166 F167 N168T165-H171 HydrophobicContact CG2-CB 3.82Å; E166-H171 WeakPolarHBondContact O-CB 3.41Å; F167-H171 WeakPolarHBondContact CA-O 3.3Å; F167-H171 WeakPolarHBondContact CD1-O 3.35Å; N168-H171 PolarHBondContact N-O 2.84Å; N168-H171 CarbonylContact O-C 3.39Å; N168-H171 PolarHBondContact OD1-N 2.93Å
172R97.4Very high97.5Very high129 Ų12959.8 Ų59.849%0.48731%0.312SS..  trans-74.9148.9-177.4-55.8-59.7-61.7-173.1-1112.3L169 V170L169-R172 VanDerWaalsContact O-CD 3.23Å; L169-R172 WeakPolarHBondContact O-CD 3.43Å; V170-R172 PolarHBondContact O-N 3Å
173R97.5Very high97.5Very high79 Ų7957.6 Ų57.630%0.29830%0.297SS..  trans-75.9136.6172.3-69.6177.7178.980.20.5110.8D153 A156 F167 V182D153-R173 WeakPolarHBondContact O-CD 3.23Å; D153-R173 PolarHBondContact O-NE 2.95Å; A156-R173 VanDerWaalsContact O-CZ 3.26Å; A156-R173 PolarHBondContact O-NE 3.25Å; A156-R173 PolarHBondContact O-NH2 2.92Å; F167-R173 HydrophobicContact CB-CG 3.83Å; F167-R173 VanDerWaalsContact CB-CZ 3.42Å; F167-R173 HydrophobicContact CD1-CG 3.73Å; F167-R173 HydrophobicContact CD2-CG 3.63Å; F167-R173 HydrophobicContact CE1-CG 4.11Å; F167-R173 HydrophobicContact CE2-CG 4Å; F167-R173 HydrophobicContact CG-CG 3.47Å; F167-R173 VanDerWaalsContact CG-CG 3.47Å; F167-R173 HydrophobicContact CZ-CG 4.22Å; R173-V182 HydrophobicContact CB-CG1 3.64Å; R173-V182 HydrophobicContact CG-CG1 3.63Å
174H98.1Very high97.5Very high49 Ų4955.6 Ų55.623%0.22728%0.276CS..EExtended strand (participates in β ladder)trans-132.1157.8169.3-55.3-62.6000109.9V182 V183H174-V182 CarbonylContact O-C 3.56Å; H174-V182 WeakPolarHBondContact O-CA 3.49Å; H174-V183 HydrophobicContact CB-CG2 4.33Å; H174-V183 WeakPolarHBondContact CB-O 3.12Å; H174-V183 PolarHBondContact N-O 2.86Å; H174-V183 WeakPolarHBondContact O-CG2 3.38Å; H174-V183 PolarHBondContact O-N 2.72Å
175H97.6Very high97.5Very high4 Ų454 Ų542%0.01926%0.263CS..EExtended strand (participates in β ladder)trans-109.7136.8175.3-62.584.8000111.4W150 I151 D153 R177 K181W150-H175 HydrophobicContact CD2-CB 3.61Å; W150-H175 AromaticContact CD2-CG 3.79Å; W150-H175 HydrophobicContact CE3-CB 3.31Å; W150-H175 AromaticContact CE3-CD2 3.83Å; W150-H175 AromaticContact CE3-CG 3.23Å; W150-H175 AromaticContact CE3-ND1 3.48Å; W150-H175 HydrophobicContact CG-CB 4.25Å; W150-H175 HydrophobicContact CH2-CB 4.29Å; W150-H175 HydrophobicContact CZ3-CB 3.68Å; W150-H175 AromaticContact CZ3-CG 3.89Å; W150-H175 AromaticContact CZ3-ND1 3.88Å; I151-H175 PolarHBondContact O-NE2 3.21Å; D153-H175 IonicContact OD1-CE1 2.58Å; D153-H175 PolarHBondContact OD1-CE1 2.92Å; D153-H175 IonicContact OD1-NE2 3.16Å; H175-R177 PolarHBondContact O-NH1 3.18Å; H175-K181 WeakPolarHBondContact CA-O 3.27Å
176C98.1Very high97.5Very high0 Ų061.2 Ų61.20%029%0.292CS..  trans-72.6121.5163.8177.20000108.8H178 C179 G180 K181 C205C176-H178 PolarHBondContact O-N 2.87Å; C176-C179 VanDerWaalsContact CB-SG 3.55Å; C176-G180 VanDerWaalsContact O-CA 3.27Å; C176-G180 WeakPolarHBondContact O-CA 3.46Å; C176-G180 PolarHBondContact O-N 2.93Å; C176-K181 PolarHBondContact N-O 2.82Å; C176-C205 HydrophobicContact CB-CB 4.05Å; C176-C205 PolarHBondContact SG-N 3.26Å
177R97Very high97.6Very high45 Ų4556.5 Ų56.517%0.1727%0.272CS..THydrogen-bonded Turntrans-70.7-18.9-179.4-77.479.4163.5155.4-4.1113.4P148 W150 H175 L194 Q197 V202 R203P148-R177 VanDerWaalsContact CD-O 3.3Å; P148-R177 WeakPolarHBondContact CD-O 3.3Å; P148-R177 WeakPolarHBondContact CG-O 3.41Å; W150-R177 HydrophobicContact CH2-CG 4.45Å; W150-R177 HydrophobicContact CZ2-CG 3.84Å; H175-R177 PolarHBondContact O-NH1 3.18Å; R177-L194 HydrophobicContact CB-CD1 3.97Å; R177-Q197 PolarHBondContact O-NE2 2.82Å; R177-Q197 VanDerWaalsContact O-NE2 3.1Å; R177-V202 HydrophobicContact CB-CB 3.98Å; R177-V202 HydrophobicContact CB-CG2 3.64Å; R177-V202 HydrophobicContact CG-CB 3.77Å; R177-V202 HydrophobicContact CG-CG1 4.41Å; R177-V202 HydrophobicContact CG-CG2 4.02Å; R177-R203 WeakPolarHBondContact CD-O 3.41Å; R177-R203 PolarHBondContact N-O 3.07Å
178H96.7Very high97.6Very high26 Ų2656 Ų5612%0.1227%0.269CS..THydrogen-bonded Turntrans-81.9-44.2178.4-170.767.3000113P148 C176 L194 Y196 V204 C208 L212P148-H178 WeakPolarHBondContact CD-O 3.12Å; P148-H178 WeakPolarHBondContact CG-O 3.44Å; C176-H178 PolarHBondContact O-N 2.87Å; H178-L194 HydrophobicContact CB-CD1 4.08Å; H178-L194 HydrophobicContact CB-CD2 4.34Å; H178-Y196 PolarHBondContact ND1-OH 3.29Å; H178-V204 HydrophobicContact CB-CG1 4.06Å; H178-C208 HydrophobicContact CB-CB 4.01Å; H178-L212 HydrophobicContact CB-CD1 4.41Å
179C96.9Very high97.6Very high43 Ų4356.5 Ų56.529%0.29128%0.276SS..THydrogen-bonded Turntrans-114.9-8.3-175.569.60000115.6P148 C176 K181P148-C179 VanDerWaalsContact CB-C 3.48Å; C176-C179 VanDerWaalsContact CB-SG 3.55Å; C179-K181 PolarHBondContact O-N 3.37Å
180G96.7Very high97.8Very high0 Ų054 Ų540%026%0.256CS..  trans77.7-3.5176.700000115.4P148 I151 C176P148-G180 VanDerWaalsContact CG-N 3.31Å; I151-G180 PolarHBondContact N-O 2.93Å; I151-G180 VanDerWaalsContact N-O 3.1Å; C176-G180 VanDerWaalsContact O-CA 3.27Å; C176-G180 WeakPolarHBondContact O-CA 3.46Å; C176-G180 PolarHBondContact O-N 2.93Å
181K98.1Very high97.9Very high92 Ų9254 Ų5440%0.424%0.243SC..  trans-63.8149.9177.8-71.3-177.4177.9-176.50112.9M160 H175 C176 C179 V183M160-K181 HydrophobicContact CB-CB 4.11Å; M160-K181 HydrophobicContact CB-CD 4.11Å; M160-K181 HydrophobicContact CB-CG 4.32Å; M160-K181 HydrophobicContact SD-CB 4.09Å; M160-K181 HydrophobicContact SD-CG 4.23Å; H175-K181 WeakPolarHBondContact CA-O 3.27Å; C176-K181 PolarHBondContact N-O 2.82Å; C179-K181 PolarHBondContact O-N 3.37Å; K181-V183 HydrophobicContact CB-CG1 4.34Å
182V98.2Very high97.9Very high0 Ų052.1 Ų52.10%023%0.232CC..EExtended strand (participates in β ladder)trans-85123.9172-1650000110.4I151 A156 M160 F167 R173 H174I151-V182 HydrophobicContact CB-CG2 4.02Å; I151-V182 HydrophobicContact CG2-CG2 4.11Å; A156-V182 HydrophobicContact CB-CB 3.51Å; A156-V182 HydrophobicContact CB-CG1 3.94Å; A156-V182 HydrophobicContact CB-CG2 3.58Å; M160-V182 WeakPolarHBondContact CB-O 3.33Å; M160-V182 WeakPolarHBondContact CG-O 3.4Å; M160-V182 PolarHBondContact N-O 3.45Å; M160-V182 HydrophobicContact SD-CB 4.32Å; M160-V182 HydrophobicContact SD-CG2 4.42Å; F167-V182 HydrophobicContact CD2-CG1 4.36Å; F167-V182 HydrophobicContact CE2-CB 4.24Å; F167-V182 HydrophobicContact CE2-CG1 3.58Å; F167-V182 HydrophobicContact CZ-CG1 3.79Å; R173-V182 HydrophobicContact CB-CG1 3.64Å; R173-V182 HydrophobicContact CG-CG1 3.63Å; H174-V182 CarbonylContact O-C 3.56Å; H174-V182 WeakPolarHBondContact O-CA 3.49Å
183V98.7Very high97.8Very high0 Ų049.6 Ų49.60%023%0.228CC..EExtended strand (participates in β ladder)trans-138.1148.6-169.2-64.20000111.6V161 H174 K181 S188 C205V161-V183 HydrophobicContact CB-CG1 4.37Å; V161-V183 HydrophobicContact CG2-CG1 3.53Å; H174-V183 HydrophobicContact CB-CG2 4.33Å; H174-V183 WeakPolarHBondContact CB-O 3.12Å; H174-V183 PolarHBondContact N-O 2.86Å; H174-V183 WeakPolarHBondContact O-CG2 3.38Å; H174-V183 PolarHBondContact O-N 2.72Å; K181-V183 HydrophobicContact CB-CG1 4.34Å; V183-S188 VanDerWaalsContact CG2-CB 3.48Å; V183-C205 HydrophobicContact CG1-CB 4.02Å
184C98.6Very high97.7Very high6 Ų646 Ų464%0.04121%0.214CC..  trans-78.5166.3171.870.80000110.9C159 T165 F167 K186 C187 S188C159-C184 HydrophobicContact CB-CB 4.11Å; C159-C184 PolarHBondContact SG-N 3.31Å; C159-C184 VanDerWaalsContact SG-N 3.36Å; T165-C184 HydrophobicContact CG2-CB 3.75Å; F167-C184 HydrophobicContact CE1-CB 3.95Å; C184-K186 VanDerWaalsContact C-N 3.34Å; C184-K186 PolarHBondContact O-N 3.21Å; C184-C187 PolarHBondContact O-N 3.4Å; C184-C187 VanDerWaalsContact SG-SG 3.63Å; C184-S188 PolarHBondContact O-N 3.47Å; C184-S188 PolarHBondContact O-OG 3.43Å
185D98.3Very high97.3Very high82 Ų8248.9 Ų48.944%0.43924%0.237SC..SBendtrans-61.6-42.6-176.6-16865.5000112C187 S188 T189 R203D185-C187 VanDerWaalsContact C-N 3.28Å; D185-C187 PolarHBondContact O-N 2.63Å; D185-S188 CarbonylContact O-C 3.51Å; D185-S188 PolarHBondContact O-N 2.87Å; D185-T189 WeakPolarHBondContact O-CG2 3.45Å; D185-T189 PolarHBondContact O-N 3.03Å; D185-R203 IonicContact OD1-CZ 3.81Å; D185-R203 IonicContact OD1-NH1 2.83Å; D185-R203 PolarHBondContact OD1-NH1 2.74Å; D185-R203 IonicContact OD1-NH2 3.75Å; D185-R203 PolarHBondContact OD1-NH2 2.8Å
186K98.5Very high96.8Very high175 Ų17550.6 Ų50.676%0.76124%0.244SC*.G310 helixtrans-57.5-36.4176.8-64.5-176.4-179.7179.70113.5C184 S188C184-K186 VanDerWaalsContact C-N 3.34Å; C184-K186 PolarHBondContact O-N 3.21Å; K186-S188 VanDerWaalsContact C-N 3.28Å; K186-S188 PolarHBondContact O-N 3.48Å
187C98.8Very high96.4Very high15 Ų1552.5 Ų52.510%0.10125%0.253CS..G310 helixtrans-84.61.4178.9-70.10000113.5V161 C162 C184 D185 C205 S206V161-C187 HydrophobicContact CB-CB 3.91Å; V161-C187 HydrophobicContact CG1-CB 3.89Å; C162-C187 VanDerWaalsContact CB-SG 3.59Å; C184-C187 PolarHBondContact O-N 3.4Å; C184-C187 VanDerWaalsContact SG-SG 3.63Å; D185-C187 VanDerWaalsContact C-N 3.28Å; D185-C187 PolarHBondContact O-N 2.63Å; C187-C205 CarbonylContact O-C 3.4Å; C187-C205 VanDerWaalsContact O-CA 3.23Å; C187-C205 WeakPolarHBondContact O-CA 3.41Å; C187-C205 WeakPolarHBondContact O-CB 3.16Å; C187-S206 PolarHBondContact O-N 2.88Å
188S98.4Very high95.9Very high0 Ų051.6 Ų51.60%026%0.258CS..G310 helixtrans-147.837.5-171.465.30000113.9V183 C184 D185 K186 Y190 R203 V204V183-S188 VanDerWaalsContact CG2-CB 3.48Å; C184-S188 PolarHBondContact O-N 3.47Å; C184-S188 PolarHBondContact O-OG 3.43Å; D185-S188 CarbonylContact O-C 3.51Å; D185-S188 PolarHBondContact O-N 2.87Å; K186-S188 VanDerWaalsContact C-N 3.28Å; K186-S188 PolarHBondContact O-N 3.48Å; S188-Y190 PolarHBondContact O-N 3.44Å; S188-R203 VanDerWaalsContact O-CG 3.23Å; S188-R203 WeakPolarHBondContact O-CG 3.41Å; S188-R203 PolarHBondContact O-NH1 2.95Å; S188-R203 PolarHBondContact OG-NH1 2.95Å; S188-V204 WeakPolarHBondContact CA-O 3.36Å
189T98.2Very high95.7Very high82 Ų8253.6 Ų53.650%0.50327%0.274SS..  trans-68.9-21178.254.70000113D185D185-T189 WeakPolarHBondContact O-CG2 3.45Å; D185-T189 PolarHBondContact O-N 3.03Å
190Y98.4Very high95.6Very high100 Ų10054.6 Ų54.639%0.39228%0.282SS..EExtended strand (participates in β ladder)trans-76.6148.8-175.6-59-78.3000113.8S188 V204 H209S188-Y190 PolarHBondContact O-N 3.44Å; Y190-V204 PolarHBondContact O-N 3.21Å; Y190-H209 HydrophobicContact CD1-CB 4.42Å; Y190-H209 AromaticContact CD1-CD2 3.5Å; Y190-H209 VanDerWaalsContact CD1-CD2 3.5Å; Y190-H209 WeakPolarHBondContact CD1-CD2 3.38Å; Y190-H209 AromaticContact CD1-CE1 3.64Å; Y190-H209 AromaticContact CD1-CG 3.62Å; Y190-H209 AromaticContact CD1-ND1 3.71Å; Y190-H209 AromaticContact CD1-NE2 3.5Å; Y190-H209 WeakPolarHBondContact CD1-NE2 3.28Å; Y190-H209 HydrophobicContact CD2-CB 3.83Å; Y190-H209 AromaticContact CD2-CG 3.91Å; Y190-H209 AromaticContact CE1-CE1 3.74Å; Y190-H209 AromaticContact CE1-ND1 3.78Å; Y190-H209 HydrophobicContact CE2-CB 4.45Å; Y190-H209 HydrophobicContact CG-CB 3.82Å; Y190-H209 AromaticContact CG-CD2 3.56Å; Y190-H209 AromaticContact CG-CG 3.5Å; Y190-H209 VanDerWaalsContact CG-CG 3.5Å; Y190-H209 AromaticContact CG-ND1 4Å
191R98.3Very high95.5Very high119 Ų11963.4 Ų63.445%0.44932%0.315SS..EExtended strand (participates in β ladder)trans-126.7131.3176.4-57-63.4177.2136.31.8110.1R201 V202R191-R201 HydrophobicContact CB-CB 3.95Å; R191-V202 CarbonylContact C-O 3.44Å; R191-V202 VanDerWaalsContact CA-O 3.3Å; R191-V202 WeakPolarHBondContact CA-O 3.23Å
192W97.5Very high95.5Very high48 Ų4860.5 Ų60.518%0.18231%0.305CS..EExtended strand (participates in β ladder)trans-136144.7-173.1-163.4-88.1000111.9L194 R201 V202 V204 H209 L212 S213 K216W192-L194 PolarHBondContact O-N 3.38Å; W192-R201 CarbonylContact O-C 3.52Å; W192-R201 WeakPolarHBondContact O-CA 3.46Å; W192-V202 PolarHBondContact N-O 3.06Å; W192-V202 WeakPolarHBondContact O-CG2 3.44Å; W192-V202 PolarHBondContact O-N 2.82Å; W192-V204 HydrophobicContact CB-CG1 3.89Å; W192-V204 HydrophobicContact CB-CG2 3.88Å; W192-H209 AromaticContact CE3-CD2 3.74Å; W192-H209 AromaticContact CZ3-CD2 3.95Å; W192-H209 AromaticContact CZ3-NE2 3.89Å; W192-L212 HydrophobicContact CB-CD1 4.46Å; W192-L212 HydrophobicContact CD2-CB 4.1Å; W192-L212 HydrophobicContact CD2-CD1 4.11Å; W192-L212 HydrophobicContact CE3-CB 4.43Å; W192-L212 HydrophobicContact CG-CD1 3.89Å; W192-L212 HydrophobicContact CH2-CB 4.07Å; W192-L212 HydrophobicContact CZ2-CB 3.7Å; W192-L212 HydrophobicContact CZ3-CB 4.41Å; W192-S213 WeakPolarHBondContact CZ3-OG 3.5Å; W192-K216 HydrophobicContact CH2-CB 4.46Å; W192-K216 HydrophobicContact CH2-CD 4.08Å; W192-K216 HydrophobicContact CZ2-CB 4.38Å; W192-K216 HydrophobicContact CZ2-CD 4.14Å
193I96Very high95.5Very high77 Ų7761.5 Ų61.540%0.39531%0.309SS..EExtended strand (participates in β ladder)trans-83.9107.1170.4-57.3179.4000107.2P195 R201I193-P195 VanDerWaalsContact O-CD 3.27Å; I193-P195 WeakPolarHBondContact O-CD 3.41Å; I193-R201 HydrophobicContact CD1-CG 4.37Å; I193-R201 HydrophobicContact CG1-CG 3.66Å
194L94.1Very high95.5Very high2 Ų261.5 Ų61.51%0.0131%0.309CS..  trans-88.8103.5171.7-66.7176.6000107.2R177 H178 W192 Y196 Q197 G198 V202 V204 L212R177-L194 HydrophobicContact CB-CD1 3.97Å; H178-L194 HydrophobicContact CB-CD1 4.08Å; H178-L194 HydrophobicContact CB-CD2 4.34Å; W192-L194 PolarHBondContact O-N 3.38Å; L194-Y196 HydrophobicContact CB-CD1 4.32Å; L194-Y196 HydrophobicContact CB-CE1 3.87Å; L194-Y196 HydrophobicContact CB-CE2 4.32Å; L194-Y196 HydrophobicContact CD1-CE2 4.47Å; L194-Y196 WeakPolarHBondContact CD1-OH 3.28Å; L194-Y196 HydrophobicContact CD2-CE1 3.87Å; L194-Y196 HydrophobicContact CG-CE1 4.32Å; L194-Y196 PolarHBondContact O-N 2.87Å; L194-Q197 HydrophobicContact CB-CB 4.18Å; L194-Q197 VanDerWaalsContact CD1-OE1 3.29Å; L194-Q197 PolarHBondContact O-N 2.85Å; L194-G198 PolarHBondContact O-N 3.2Å; L194-V202 HydrophobicContact CB-CG2 4.35Å; L194-V202 HydrophobicContact CD1-CG2 3.67Å; L194-V202 HydrophobicContact CG-CG2 3.91Å; L194-V204 HydrophobicContact CD1-CG1 4.46Å; L194-L212 HydrophobicContact CD2-CD1 3.91Å; L194-L212 HydrophobicContact CD2-CD2 4.23Å
195P90.2Very high95.5Very high110 Ų11061.3 Ų61.371%0.71431%0.308SS*.THydrogen-bonded Turntrans-58.3-31-168.4-25.436000113.2I193 Q197 G198I193-P195 VanDerWaalsContact O-CD 3.27Å; I193-P195 WeakPolarHBondContact O-CD 3.41Å; P195-Q197 VanDerWaalsContact C-N 3.27Å; P195-Q197 PolarHBondContact O-N 3.31Å; P195-G198 PolarHBondContact O-N 2.79Å
196Y86.6Confident95.5Very high41 Ų4159.2 Ų59.216%0.16130%0.299CS..THydrogen-bonded Turntrans-73.3-12.8177.760.4-94.1000114.1P106 K145 H178 L194P106-Y196 CarbonylContact C-O 3.44Å; P106-Y196 WeakPolarHBondContact CB-O 3.26Å; P106-Y196 WeakPolarHBondContact O-CD2 3.43Å; K145-Y196 HydrophobicContact CB-CD1 4.09Å; K145-Y196 HydrophobicContact CB-CE1 4.46Å; K145-Y196 HydrophobicContact CB-CG 4.23Å; K145-Y196 HydrophobicContact CG-CD1 3.96Å; K145-Y196 HydrophobicContact CG-CD2 4.48Å; K145-Y196 HydrophobicContact CG-CE1 3.82Å; K145-Y196 HydrophobicContact CG-CE2 4.37Å; K145-Y196 HydrophobicContact CG-CG 4.29Å; H178-Y196 PolarHBondContact ND1-OH 3.29Å; L194-Y196 HydrophobicContact CB-CD1 4.32Å; L194-Y196 HydrophobicContact CB-CE1 3.87Å; L194-Y196 HydrophobicContact CB-CE2 4.32Å; L194-Y196 HydrophobicContact CD1-CE2 4.47Å; L194-Y196 WeakPolarHBondContact CD1-OH 3.28Å; L194-Y196 HydrophobicContact CD2-CE1 3.87Å; L194-Y196 HydrophobicContact CG-CE1 4.32Å; L194-Y196 PolarHBondContact O-N 2.87Å
197Q89.3Confident95.5Very high40 Ų4054.4 Ų54.419%0.18729%0.285CS..THydrogen-bonded Turntrans-108-10175.3-76.2176.2-3.700113.5P106 S147 R177 L194 P195P106-Q197 WeakPolarHBondContact O-CG 3.4Å; S147-Q197 PolarHBondContact OG-NE2 3.02Å; S147-Q197 VanDerWaalsContact OG-NE2 3.1Å; R177-Q197 PolarHBondContact O-NE2 2.82Å; R177-Q197 VanDerWaalsContact O-NE2 3.1Å; L194-Q197 HydrophobicContact CB-CB 4.18Å; L194-Q197 VanDerWaalsContact CD1-OE1 3.29Å; L194-Q197 PolarHBondContact O-N 2.85Å; P195-Q197 VanDerWaalsContact C-N 3.27Å; P195-Q197 PolarHBondContact O-N 3.31Å
198G88.5Confident95.5Very high26 Ų2654 Ų5427%0.26828%0.282SS..  trans133.6-168.4178.200000113.3L194 P195L194-G198 PolarHBondContact O-N 3.2Å; P195-G198 PolarHBondContact O-N 2.79Å
199S91.8Very high95.5Very high67 Ų6756 Ų5647%0.46929%0.291SS..SBendtrans-88.2-18-178.440.80000113.6
200S93.6Very high95.5Very high64 Ų6456.1 Ų56.145%0.44829%0.292SS..SBendtrans-78.1147-175.2-58.60000112.6V202S200-V202 PolarHBondContact O-N 2.81Å
201R96.6Very high95.5Very high186 Ų18654.9 Ų54.970%0.70229%0.292SS*.EExtended strand (participates in β ladder)trans-76.1122.4174.2-63.7-175-177.2-176.82.7110.8R191 W192 I193R191-R201 HydrophobicContact CB-CB 3.95Å; W192-R201 CarbonylContact O-C 3.52Å; W192-R201 WeakPolarHBondContact O-CA 3.46Å; I193-R201 HydrophobicContact CD1-CG 4.37Å; I193-R201 HydrophobicContact CG1-CG 3.66Å
202V96.9Very high95.4Very high31 Ų3149.9 Ų49.919%0.18827%0.274CS..EExtended strand (participates in β ladder)trans-113.4155.5-179.5-64.50000111.9R177 R191 W192 L194 S200 V204R177-V202 HydrophobicContact CB-CB 3.98Å; R177-V202 HydrophobicContact CB-CG2 3.64Å; R177-V202 HydrophobicContact CG-CB 3.77Å; R177-V202 HydrophobicContact CG-CG1 4.41Å; R177-V202 HydrophobicContact CG-CG2 4.02Å; R191-V202 CarbonylContact C-O 3.44Å; R191-V202 VanDerWaalsContact CA-O 3.3Å; R191-V202 WeakPolarHBondContact CA-O 3.23Å; W192-V202 PolarHBondContact N-O 3.06Å; W192-V202 WeakPolarHBondContact O-CG2 3.44Å; W192-V202 PolarHBondContact O-N 2.82Å; L194-V202 HydrophobicContact CB-CG2 4.35Å; L194-V202 HydrophobicContact CD1-CG2 3.67Å; L194-V202 HydrophobicContact CG-CG2 3.91Å; S200-V202 PolarHBondContact O-N 2.81Å; V202-V204 PolarHBondContact O-N 3.1Å
203R98.3Very high95.4Very high21 Ų2149 Ų498%0.07928%0.275CS..EExtended strand (participates in β ladder)trans-63.3128.5-179.6-166.8-174.6-80.8-90.311.6111.9R177 D185 S188R177-R203 WeakPolarHBondContact CD-O 3.41Å; R177-R203 PolarHBondContact N-O 3.07Å; D185-R203 IonicContact OD1-CZ 3.81Å; D185-R203 IonicContact OD1-NH1 2.83Å; D185-R203 PolarHBondContact OD1-NH1 2.74Å; D185-R203 IonicContact OD1-NH2 3.75Å; D185-R203 PolarHBondContact OD1-NH2 2.8Å; S188-R203 VanDerWaalsContact O-CG 3.23Å; S188-R203 WeakPolarHBondContact O-CG 3.41Å; S188-R203 PolarHBondContact O-NH1 2.95Å; S188-R203 PolarHBondContact OG-NH1 2.95Å
204V98.5Very high95.4Very high0 Ų048.8 Ų48.80%028%0.277CS..EExtended strand (participates in β ladder)trans-125.8149.2170.6-63.10000109.7H178 S188 Y190 W192 L194 V202 C208 H209 L212H178-V204 HydrophobicContact CB-CG1 4.06Å; S188-V204 WeakPolarHBondContact CA-O 3.36Å; Y190-V204 PolarHBondContact O-N 3.21Å; W192-V204 HydrophobicContact CB-CG1 3.89Å; W192-V204 HydrophobicContact CB-CG2 3.88Å; L194-V204 HydrophobicContact CD1-CG1 4.46Å; V202-V204 PolarHBondContact O-N 3.1Å; V204-C208 HydrophobicContact CB-CB 4.38Å; V204-H209 HydrophobicContact CG2-CB 4.06Å; V204-L212 HydrophobicContact CG1-CD1 4.29Å
205C98.8Very high95.4Very high2 Ų253.9 Ų53.91%0.01430%0.301CS..  trans-73.5162.5173.967.60000111.2V161 C176 V183 C187 V207 C208 H209V161-C205 HydrophobicContact CG2-CB 3.89Å; C176-C205 HydrophobicContact CB-CB 4.05Å; C176-C205 PolarHBondContact SG-N 3.26Å; V183-C205 HydrophobicContact CG1-CB 4.02Å; C187-C205 CarbonylContact O-C 3.4Å; C187-C205 VanDerWaalsContact O-CA 3.23Å; C187-C205 WeakPolarHBondContact O-CA 3.41Å; C187-C205 WeakPolarHBondContact O-CB 3.16Å; C205-V207 VanDerWaalsContact C-N 3.28Å; C205-V207 PolarHBondContact O-N 2.9Å; C205-C208 PolarHBondContact O-N 3.3Å; C205-C208 PolarHBondContact SG-SG 3.21Å; C205-H209 WeakPolarHBondContact O-CB 3.48Å; C205-H209 PolarHBondContact O-N 2.88Å
206S98.5Very high95.5Very high38 Ų3854.1 Ų54.127%0.26629%0.291SS..Hα-helixtrans-54-42.3179.252.70000112.8C187 H209 T210C187-S206 PolarHBondContact O-N 2.88Å; S206-H209 PolarHBondContact O-N 3.34Å; S206-T210 PolarHBondContact O-N 3.37Å; S206-T210 VanDerWaalsContact O-N 3.09Å; S206-T210 PolarHBondContact O-OG1 2.91Å
207V98.6Very high95.9Very high74 Ų7456.5 Ų56.545%0.44831%0.307SS..Hα-helixtrans-59.5-55.2176.9-178.80000110.8V161 C205 H209 T210 D211V161-V207 HydrophobicContact CG1-CG2 4.1Å; C205-V207 VanDerWaalsContact C-N 3.28Å; C205-V207 PolarHBondContact O-N 2.9Å; V207-H209 VanDerWaalsContact C-N 3.26Å; V207-H209 PolarHBondContact O-N 3.01Å; V207-T210 WeakPolarHBondContact O-CB 3.41Å; V207-T210 PolarHBondContact O-N 3.33Å; V207-T210 VanDerWaalsContact O-N 3.1Å; V207-D211 PolarHBondContact O-N 3.44Å
208C98.5Very high96.1Very high6 Ų658.4 Ų58.44%0.04132%0.318CS..Hα-helixtrans-64.1-31.6179.8-64.10000112.8H178 V204 C205 D211 L212H178-C208 HydrophobicContact CB-CB 4.01Å; V204-C208 HydrophobicContact CB-CB 4.38Å; C205-C208 PolarHBondContact O-N 3.3Å; C205-C208 PolarHBondContact SG-SG 3.21Å; C208-D211 PolarHBondContact O-N 2.92Å; C208-L212 VanDerWaalsContact O-CB 3.25Å; C208-L212 WeakPolarHBondContact O-CB 3.24Å; C208-L212 WeakPolarHBondContact O-CD1 3.31Å; C208-L212 WeakPolarHBondContact O-CG 3.36Å; C208-L212 PolarHBondContact O-N 3.04Å
209H98.5Very high96.2Very high42 Ų4259.2 Ų59.219%0.19432%0.319CS..Hα-helixtrans-62.5-44.1174.4-180-92000111.5Y190 W192 V204 C205 S206 V207 S213Y190-H209 HydrophobicContact CD1-CB 4.42Å; Y190-H209 AromaticContact CD1-CD2 3.5Å; Y190-H209 VanDerWaalsContact CD1-CD2 3.5Å; Y190-H209 WeakPolarHBondContact CD1-CD2 3.38Å; Y190-H209 AromaticContact CD1-CE1 3.64Å; Y190-H209 AromaticContact CD1-CG 3.62Å; Y190-H209 AromaticContact CD1-ND1 3.71Å; Y190-H209 AromaticContact CD1-NE2 3.5Å; Y190-H209 WeakPolarHBondContact CD1-NE2 3.28Å; Y190-H209 HydrophobicContact CD2-CB 3.83Å; Y190-H209 AromaticContact CD2-CG 3.91Å; Y190-H209 AromaticContact CE1-CE1 3.74Å; Y190-H209 AromaticContact CE1-ND1 3.78Å; Y190-H209 HydrophobicContact CE2-CB 4.45Å; Y190-H209 HydrophobicContact CG-CB 3.82Å; Y190-H209 AromaticContact CG-CD2 3.56Å; Y190-H209 AromaticContact CG-CG 3.5Å; Y190-H209 VanDerWaalsContact CG-CG 3.5Å; Y190-H209 AromaticContact CG-ND1 4Å; W192-H209 AromaticContact CE3-CD2 3.74Å; W192-H209 AromaticContact CZ3-CD2 3.95Å; W192-H209 AromaticContact CZ3-NE2 3.89Å; V204-H209 HydrophobicContact CG2-CB 4.06Å; C205-H209 WeakPolarHBondContact O-CB 3.48Å; C205-H209 PolarHBondContact O-N 2.88Å; S206-H209 PolarHBondContact O-N 3.34Å; V207-H209 VanDerWaalsContact C-N 3.26Å; V207-H209 PolarHBondContact O-N 3.01Å; H209-S213 VanDerWaalsContact O-CB 3.24Å; H209-S213 WeakPolarHBondContact O-CB 3.43Å; H209-S213 PolarHBondContact O-N 3.23Å; H209-S213 PolarHBondContact O-OG 3.44Å
210T98.4Very high96.1Very high84 Ų8460 Ų6052%0.51532%0.318SS..Hα-helixtrans-61-47.2175.1-59.30000111.2S206 V207 S213 T214S206-T210 PolarHBondContact O-N 3.37Å; S206-T210 VanDerWaalsContact O-N 3.09Å; S206-T210 PolarHBondContact O-OG1 2.91Å; V207-T210 WeakPolarHBondContact O-CB 3.41Å; V207-T210 PolarHBondContact O-N 3.33Å; V207-T210 VanDerWaalsContact O-N 3.1Å; T210-S213 PolarHBondContact O-N 2.95Å; T210-T214 WeakPolarHBondContact O-CB 3.5Å; T210-T214 PolarHBondContact O-N 2.9Å; T210-T214 PolarHBondContact O-OG1 2.78Å
211D97.9Very high95.9Very high75 Ų7561.1 Ų61.140%0.40132%0.318SS..Hα-helixtrans-60.3-51.8179.7-58.8-26000111.1V207 C208 S213 T214 E215V207-D211 PolarHBondContact O-N 3.44Å; C208-D211 PolarHBondContact O-N 2.92Å; D211-S213 VanDerWaalsContact C-N 3.33Å; D211-S213 PolarHBondContact O-N 2.95Å; D211-T214 WeakPolarHBondContact O-CB 3.49Å; D211-T214 PolarHBondContact O-N 3.49Å; D211-T214 VanDerWaalsContact O-N 3.14Å; D211-E215 WeakPolarHBondContact O-CG 3.32Å; D211-E215 PolarHBondContact O-N 2.9Å
212L96.7Very high95.5Very high13 Ų1359.2 Ų59.27%0.06831%0.311CS..Hα-helixtrans-63-36.9179.9-71.7165.3000112.8H178 W192 L194 V204 C208 K216H178-L212 HydrophobicContact CB-CD1 4.41Å; W192-L212 HydrophobicContact CB-CD1 4.46Å; W192-L212 HydrophobicContact CD2-CB 4.1Å; W192-L212 HydrophobicContact CD2-CD1 4.11Å; W192-L212 HydrophobicContact CE3-CB 4.43Å; W192-L212 HydrophobicContact CG-CD1 3.89Å; W192-L212 HydrophobicContact CH2-CB 4.07Å; W192-L212 HydrophobicContact CZ2-CB 3.7Å; W192-L212 HydrophobicContact CZ3-CB 4.41Å; L194-L212 HydrophobicContact CD2-CD1 3.91Å; L194-L212 HydrophobicContact CD2-CD2 4.23Å; V204-L212 HydrophobicContact CG1-CD1 4.29Å; C208-L212 VanDerWaalsContact O-CB 3.25Å; C208-L212 WeakPolarHBondContact O-CB 3.24Å; C208-L212 WeakPolarHBondContact O-CD1 3.31Å; C208-L212 WeakPolarHBondContact O-CG 3.36Å; C208-L212 PolarHBondContact O-N 3.04Å; L212-K216 VanDerWaalsContact O-CB 3.31Å; L212-K216 WeakPolarHBondContact O-CB 3.25Å; L212-K216 PolarHBondContact O-N 3.24Å
213S97.1Very high94.9Very high31 Ų3162 Ų6222%0.21733%0.325CS..Hα-helixtrans-66.8-40.4175.5-60.50000111.4W192 H209 T210 D211 K216 N217W192-S213 WeakPolarHBondContact CZ3-OG 3.5Å; H209-S213 VanDerWaalsContact O-CB 3.24Å; H209-S213 WeakPolarHBondContact O-CB 3.43Å; H209-S213 PolarHBondContact O-N 3.23Å; H209-S213 PolarHBondContact O-OG 3.44Å; T210-S213 PolarHBondContact O-N 2.95Å; D211-S213 VanDerWaalsContact C-N 3.33Å; D211-S213 PolarHBondContact O-N 2.95Å; S213-K216 PolarHBondContact O-N 3.28Å; S213-N217 WeakPolarHBondContact O-CB 3.14Å; S213-N217 VanDerWaalsContact O-CG 3.26Å; S213-N217 PolarHBondContact O-N 2.84Å; S213-N217 PolarHBondContact O-ND2 3.48Å
214T96.8Very high94.2Very high71 Ų7165.2 Ų65.244%0.43634%0.343SS..Hα-helixtrans-65.7-46.1176.8-54.90000110.9T210 D211 K216 N217 N218T210-T214 WeakPolarHBondContact O-CB 3.5Å; T210-T214 PolarHBondContact O-N 2.9Å; T210-T214 PolarHBondContact O-OG1 2.78Å; D211-T214 WeakPolarHBondContact O-CB 3.49Å; D211-T214 PolarHBondContact O-N 3.49Å; D211-T214 VanDerWaalsContact O-N 3.14Å; T214-K216 VanDerWaalsContact C-N 3.33Å; T214-K216 PolarHBondContact O-N 3.32Å; T214-N217 PolarHBondContact O-N 3.33Å; T214-N218 WeakPolarHBondContact O-CB 3.37Å; T214-N218 VanDerWaalsContact O-CG 3.24Å; T214-N218 PolarHBondContact O-N 3.38Å; T214-N218 PolarHBondContact O-ND2 3.35Å
215E93.5Very high93.4Very high109 Ų10970.9 Ų70.951%0.50937%0.37SS..Hα-helixtrans-57.7-44.7174.7-73.4177.5-171.700112.1D211 N218 S219D211-E215 WeakPolarHBondContact O-CG 3.32Å; D211-E215 PolarHBondContact O-N 2.9Å; E215-N218 PolarHBondContact O-N 3.02Å; E215-S219 PolarHBondContact O-N 2.92Å; E215-S219 PolarHBondContact O-OG 3.49Å
216K93.4Very high92.4Very high116 Ų11676.3 Ų76.350%0.50440%0.395SS..Hα-helixtrans-63.8-42177.2-175.3-178.6177.7-175.40112.1W192 L212 S213 T214 S219 L220W192-K216 HydrophobicContact CH2-CB 4.46Å; W192-K216 HydrophobicContact CH2-CD 4.08Å; W192-K216 HydrophobicContact CZ2-CB 4.38Å; W192-K216 HydrophobicContact CZ2-CD 4.14Å; L212-K216 VanDerWaalsContact O-CB 3.31Å; L212-K216 WeakPolarHBondContact O-CB 3.25Å; L212-K216 PolarHBondContact O-N 3.24Å; S213-K216 PolarHBondContact O-N 3.28Å; T214-K216 VanDerWaalsContact C-N 3.33Å; T214-K216 PolarHBondContact O-N 3.32Å; K216-S219 PolarHBondContact O-N 3.28Å; K216-S219 PolarHBondContact O-OG 3.29Å; K216-L220 HydrophobicContact CG-CD1 4.48Å; K216-L220 VanDerWaalsContact O-CG 3.28Å; K216-L220 WeakPolarHBondContact O-CG 3.23Å; K216-L220 PolarHBondContact O-N 2.99Å; K216-L220 VanDerWaalsContact O-N 3.13Å
217N94Very high91.2Very high91 Ų9179.8 Ų79.849%0.48741%0.407SS..Hα-helixtrans-66.9-40.9177.3-71.6-14.5000111.3S213 T214 S219 L220 I221S213-N217 WeakPolarHBondContact O-CB 3.14Å; S213-N217 VanDerWaalsContact O-CG 3.26Å; S213-N217 PolarHBondContact O-N 2.84Å; S213-N217 PolarHBondContact O-ND2 3.48Å; T214-N217 PolarHBondContact O-N 3.33Å; N217-S219 PolarHBondContact O-N 3.39Å; N217-L220 PolarHBondContact O-N 3.35Å; N217-I221 WeakPolarHBondContact O-CG1 3.43Å; N217-I221 PolarHBondContact O-N 3.49Å
218N93.5Very high89.6Confident80 Ų8083.9 Ų83.943%0.42842%0.416SS..Hα-helixtrans-66.6-34.2177.7-70.5-13.9000112.8T214 E215 R222T214-N218 WeakPolarHBondContact O-CB 3.37Å; T214-N218 VanDerWaalsContact O-CG 3.24Å; T214-N218 PolarHBondContact O-N 3.38Å; T214-N218 PolarHBondContact O-ND2 3.35Å; E215-N218 PolarHBondContact O-N 3.02Å; N218-R222 WeakPolarHBondContact O-CG 3.41Å; N218-R222 PolarHBondContact O-N 3.49Å; N218-R222 VanDerWaalsContact O-N 3.13Å; N218-R222 PolarHBondContact O-NE 3.33Å
219S90.4Very high87.9Confident42 Ų4289.5 Ų89.529%0.29444%0.441SS..Hα-helixtrans-68.7-39.1172.762.10000111.9E215 K216 N217 R222 N223E215-S219 PolarHBondContact O-N 2.92Å; E215-S219 PolarHBondContact O-OG 3.49Å; K216-S219 PolarHBondContact O-N 3.28Å; K216-S219 PolarHBondContact O-OG 3.29Å; N217-S219 PolarHBondContact O-N 3.39Å; S219-R222 PolarHBondContact O-N 2.93Å; S219-N223 WeakPolarHBondContact O-CB 3.45Å; S219-N223 PolarHBondContact O-N 3.33Å; S219-N223 PolarHBondContact O-ND2 3.13Å; S219-N223 PolarHBondContact O-OD1 3.25Å
220L90.1Very high86Confident83 Ų8391.2 Ų91.244%0.43546%0.457SS..Hα-helixtrans-63.1-44174.6-68.7170.6000112.4K216 N217 R222 N223 N224K216-L220 HydrophobicContact CG-CD1 4.48Å; K216-L220 VanDerWaalsContact O-CG 3.28Å; K216-L220 WeakPolarHBondContact O-CG 3.23Å; K216-L220 PolarHBondContact O-N 2.99Å; K216-L220 VanDerWaalsContact O-N 3.13Å; N217-L220 PolarHBondContact O-N 3.35Å; L220-R222 PolarHBondContact O-N 2.96Å; L220-N223 PolarHBondContact O-N 3.37Å; L220-N224 VanDerWaalsContact O-CG 3.27Å; L220-N224 PolarHBondContact O-N 2.86Å; L220-N224 PolarHBondContact O-OD1 3.47Å
221I89.9Confident84.1Confident88 Ų8891.5 Ų91.545%0.45145%0.452SS..Hα-helixtrans-61.7-45.2177.1-66.7166.1000110.7N217 N223 N224 Q225N217-I221 WeakPolarHBondContact O-CG1 3.43Å; N217-I221 PolarHBondContact O-N 3.49Å; I221-N223 PolarHBondContact O-N 2.98Å; I221-N224 PolarHBondContact O-N 3.38Å; I221-Q225 HydrophobicContact CG2-CG 4.48Å; I221-Q225 WeakPolarHBondContact O-CG 3.37Å; I221-Q225 PolarHBondContact O-N 3.47Å
222R87.2Confident81.6Confident146 Ų14695.7 Ų95.755%0.55147%0.467SS*.Hα-helixtrans-60.9-43.1176.8-77.9-175.6-70.9-173.60.3112.2N218 S219 L220 Q225 Q226N218-R222 WeakPolarHBondContact O-CG 3.41Å; N218-R222 PolarHBondContact O-N 3.49Å; N218-R222 VanDerWaalsContact O-N 3.13Å; N218-R222 PolarHBondContact O-NE 3.33Å; S219-R222 PolarHBondContact O-N 2.93Å; L220-R222 PolarHBondContact O-N 2.96Å; R222-Q225 PolarHBondContact O-N 2.95Å; R222-Q226 WeakPolarHBondContact O-CG 3.48Å; R222-Q226 PolarHBondContact O-N 3.25Å
223N84.2Confident79.3Confident91 Ų91101.9 Ų101.949%0.48750%0.496SS..Hα-helixtrans-65.1-42.2178.5-67.7-7.7000111.6S219 L220 I221 Q225 Q226 Q227S219-N223 WeakPolarHBondContact O-CB 3.45Å; S219-N223 PolarHBondContact O-N 3.33Å; S219-N223 PolarHBondContact O-ND2 3.13Å; S219-N223 PolarHBondContact O-OD1 3.25Å; L220-N223 PolarHBondContact O-N 3.37Å; I221-N223 PolarHBondContact O-N 2.98Å; N223-Q225 PolarHBondContact O-N 3.48Å; N223-Q226 PolarHBondContact O-N 3.4Å; N223-Q227 PolarHBondContact O-N 2.94Å
224N84.2Confident76.8Confident87 Ų87107.5 Ų107.547%0.46552%0.523SS..Hα-helixtrans-63.9-41.7176.5-69.5-7.4000111.5L220 I221 Q227 Y228L220-N224 VanDerWaalsContact O-CG 3.27Å; L220-N224 PolarHBondContact O-N 2.86Å; L220-N224 PolarHBondContact O-OD1 3.47Å; I221-N224 PolarHBondContact O-N 3.38Å; N224-Q227 PolarHBondContact O-N 2.71Å; N224-Y228 WeakPolarHBondContact O-CD2 3.43Å; N224-Y228 PolarHBondContact O-N 3.42Å
225Q81.8Confident74.2Confident119 Ų119109 Ų10956%0.55654%0.537SS*.Hα-helixtrans-63.9-40.1177-74.5176.5-14.500112.7I221 R222 N223 Q227 Y228 Q229I221-Q225 HydrophobicContact CG2-CG 4.48Å; I221-Q225 WeakPolarHBondContact O-CG 3.37Å; I221-Q225 PolarHBondContact O-N 3.47Å; R222-Q225 PolarHBondContact O-N 2.95Å; N223-Q225 PolarHBondContact O-N 3.48Å; Q225-Q227 VanDerWaalsContact C-N 3.34Å; Q225-Y228 PolarHBondContact O-N 3.42Å; Q225-Q229 PolarHBondContact O-N 3.44Å
226Q77.5Confident71.6Confident117 Ų117110.3 Ų110.355%0.54755%0.546SS..Hα-helixtrans-66.1-37.3174.8-71.8174.523.100111.8R222 N223 Q229 C230R222-Q226 WeakPolarHBondContact O-CG 3.48Å; R222-Q226 PolarHBondContact O-N 3.25Å; N223-Q226 PolarHBondContact O-N 3.4Å; Q226-Q229 PolarHBondContact O-N 2.92Å; Q226-C230 PolarHBondContact O-N 3.27Å
227Q73.1Confident68.8Low110 Ų110109.2 Ų109.251%0.51455%0.553SS.*Hα-helixtrans-62.8-44.6174.2-172.1180-17.700111.6N223 N224 Q225 Q229 C230 E231N223-Q227 PolarHBondContact O-N 2.94Å; N224-Q227 PolarHBondContact O-N 2.71Å; Q225-Q227 VanDerWaalsContact C-N 3.34Å; Q227-Q229 VanDerWaalsContact C-N 3.28Å; Q227-Q229 PolarHBondContact O-N 3.37Å; Q227-C230 PolarHBondContact O-N 2.94Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.23Å; Q227-E231 PolarHBondContact NE2-OE1 2.98Å; Q227-E231 WeakPolarHBondContact O-CG 3.35Å; Q227-E231 PolarHBondContact O-N 3.37Å
228Y64Low66Low161 Ų161110.8 Ų110.863%0.63157%0.572SS**Hα-helixtrans-63.6-31.2175-79.2-67.5000113.4N224 Q225 K232N224-Y228 WeakPolarHBondContact O-CD2 3.43Å; N224-Y228 PolarHBondContact O-N 3.42Å; Q225-Y228 PolarHBondContact O-N 3.42Å; Y228-K232 PolarHBondContact O-N 2.89Å; Y228-K232 VanDerWaalsContact O-N 3.13Å
229Q64.5Low63.1Low124 Ų124112.4 Ų112.458%0.57958%0.584SS**Hα-helixtrans-71.2-45.2173.8-79.6175.3-17.500111.5Q225 Q226 Q227 E231 K232 E233Q225-Q229 PolarHBondContact O-N 3.44Å; Q226-Q229 PolarHBondContact O-N 2.92Å; Q227-Q229 VanDerWaalsContact C-N 3.28Å; Q227-Q229 PolarHBondContact O-N 3.37Å; Q229-E231 VanDerWaalsContact C-N 3.31Å; Q229-E231 PolarHBondContact O-N 3.3Å; Q229-K232 PolarHBondContact O-N 3.27Å; Q229-E233 WeakPolarHBondContact O-CG 3.34Å; Q229-E233 PolarHBondContact O-N 3.34Å
230C58.4Low60.1Low77 Ų77116.2 Ų116.252%0.5261%0.606SS.*Hα-helixtrans-58.4-41.9173.4171.20000111.8Q226 Q227 K232 E233 N234Q226-C230 PolarHBondContact O-N 3.27Å; Q227-C230 PolarHBondContact O-N 2.94Å; C230-K232 PolarHBondContact O-N 2.86Å; C230-E233 PolarHBondContact O-N 3.23Å; C230-N234 WeakPolarHBondContact O-CB 3.49Å; C230-N234 PolarHBondContact O-N 3.44Å
231E57.4Low57.1Low90 Ų90118 Ų11842%0.42162%0.62SS.*Hα-helixtrans-68.2-32.7178.4-72171.6-170.200112.6Q227 Q229 S235Q227-E231 WeakPolarHBondContact CG-OE1 3.23Å; Q227-E231 PolarHBondContact NE2-OE1 2.98Å; Q227-E231 WeakPolarHBondContact O-CG 3.35Å; Q227-E231 PolarHBondContact O-N 3.37Å; Q229-E231 VanDerWaalsContact C-N 3.31Å; Q229-E231 PolarHBondContact O-N 3.3Å; E231-S235 PolarHBondContact O-N 3.25Å; E231-S235 PolarHBondContact O-OG 3.47Å
232K46.6Very low54Low164 Ų164119.2 Ų119.271%0.71364%0.636SS**Hα-helixtrans-73.3-36.2172.2-82.8-172.7176.2-177.80113.1Y228 Q229 C230 S235 L236Y228-K232 PolarHBondContact O-N 2.89Å; Y228-K232 VanDerWaalsContact O-N 3.13Å; Q229-K232 PolarHBondContact O-N 3.27Å; C230-K232 PolarHBondContact O-N 2.86Å; K232-S235 PolarHBondContact O-N 3.24Å; K232-L236 PolarHBondContact O-N 3.41Å
233E47.9Very low51.3Low142 Ų142117.8 Ų117.866%0.66464%0.643SS**Hα-helixtrans-71.7-33.3175-72.1176.2-179.800111.6Q229 C230 S235 L236Q229-E233 WeakPolarHBondContact O-CG 3.34Å; Q229-E233 PolarHBondContact O-N 3.34Å; C230-E233 PolarHBondContact O-N 3.23Å; E233-S235 PolarHBondContact O-N 3.22Å; E233-L236 CarbonylContact O-C 3.52Å; E233-L236 PolarHBondContact O-N 2.96Å; E233-L236 VanDerWaalsContact O-N 3.13Å; E233-L236 VanDerWaalsContact O-O 3.08Å
234N44.7Very low48.5Very low150 Ų150118.8 Ų118.880%0.80265%0.652SS**Hα-helixtrans-71.3-18.5172.9-142.517.5000112.6C230C230-N234 WeakPolarHBondContact O-CB 3.49Å; C230-N234 PolarHBondContact O-N 3.44Å
235S42.1Very low46Very low103 Ų103122 Ų12272%0.7267%0.669SS**THydrogen-bonded Turntrans-89.3-12.5172.5-53.90000113E231 K232 E233E231-S235 PolarHBondContact O-N 3.25Å; E231-S235 PolarHBondContact O-OG 3.47Å; K232-S235 PolarHBondContact O-N 3.24Å; E233-S235 PolarHBondContact O-N 3.22Å
236L37.8Very low43.3Very low135 Ų135122.8 Ų122.871%0.70768%0.677SS**SBendtrans-13497.6-174.2-16070000110.8K232 E233K232-L236 PolarHBondContact O-N 3.41Å; E233-L236 CarbonylContact O-C 3.52Å; E233-L236 PolarHBondContact O-N 2.96Å; E233-L236 VanDerWaalsContact O-N 3.13Å; E233-L236 VanDerWaalsContact O-O 3.08Å
237S34.7Very low41Very low93 Ų93126.5 Ų126.565%0.6569%0.692SS**  trans85.290.1164.874.10000117.1V239S237-V239 PolarHBondContact O-N 3.4Å
238S36.7Very low38.8Very low125 Ų125126.8 Ų126.887%0.87470%0.701SS**  trans-42.783.2130.856.10000112
239V30.8Very low36.9Very low114 Ų114122.3 Ų122.369%0.69170%0.704SS**  trans-141.498.4158.5-176.40000109.1S237S237-V239 PolarHBondContact O-N 3.4Å
240T28.3Very low35.4Very low122 Ų122123.3 Ų123.375%0.74872%0.718SS**  trans-44.1129.7156.8-56.70000111.3
241T26.5Very low34Very low120 Ų120125.5 Ų125.574%0.73673%0.729SS**  trans-157.9107.8131.714.40000109.2V243T241-V243 PolarHBondContact O-N 3.24Å
242C25.7Very low32.6Very low114 Ų114128.9 Ų128.977%0.7775%0.75SS**  trans-64.2116.4161.747.20000108.8
243V29.9Very low31.8Very low115 Ų115129.4 Ų129.470%0.69776%0.755SS**  trans-110.3101.1164.2-179.20000107.6T241 N245T241-V243 PolarHBondContact O-N 3.24Å; V243-N245 PolarHBondContact O-N 3.36Å
244T26.8Very low31Very low113 Ų113129.2 Ų129.269%0.69376%0.764SS**  trans-66.6107.9165.244.20000109.3N246T244-N246 PolarHBondContact O-N 2.92Å
245N31.1Very low30.4Very low154 Ų154127.3 Ų127.382%0.82476%0.758SS**  trans-91.697.1160-80.7-8.6000109V243V243-N245 PolarHBondContact O-N 3.36Å
246N25.7Very low30Very low135 Ų135129.8 Ų129.872%0.72276%0.763SS**  trans-57.6161.7160.6-87-59.2000111.9T244T244-N246 PolarHBondContact O-N 2.92Å
247K28.3Very low30.1Very low196 Ų196130 Ų13085%0.85277%0.765SS**  trans80.2138.8142.9-99.7-166174.8175.80115.3
248V26.2Very low30.5Very low115 Ų115129.6 Ų129.670%0.69776%0.761SS**  cis-155.3132.49.8163.50000103.9
249G25.8Very low30.8Very low68 Ų68128.2 Ų128.270%0.70174%0.743SS**  62.19296.500000114
250V32.4Very low31.7Very low144 Ų144124.1 Ų124.187%0.87372%0.717SS**  trans-113.6117.6156.3179.80000106.9
251T28.5Very low32.8Very low124 Ų124121 Ų12176%0.76170%0.698SS**  trans-64.1146.2-178.141.10000111.8E253T251-E253 PolarHBondContact O-N 3.04Å
252N28.3Very low33.9Very low161 Ų161117.1 Ų117.186%0.86168%0.675SS**  trans-43.199.8170.5-59.8-22.4000112.1T254N252-T254 PolarHBondContact O-N 2.92Å
253E30.7Very low35.5Very low174 Ų174113.4 Ų113.481%0.81365%0.649SS**  trans-79.8113.3150.4-75.5-176.7173.600106.1T251 T255T251-E253 PolarHBondContact O-N 3.04Å; E253-T255 PolarHBondContact O-N 2.86Å
254T29.2Very low36.6Very low138 Ų138113.5 Ų113.585%0.84764%0.637SS**  trans-5190.9166.640.60000108.2N252 D256N252-T254 PolarHBondContact O-N 2.92Å; T254-D256 PolarHBondContact O-N 2.8Å
255T33.3Very low38.2Very low111 Ų111108.5 Ų108.568%0.68161%0.606SS**  trans-61.8111.9166.648.20000105.6E253 N257E253-T255 PolarHBondContact O-N 2.86Å; T255-N257 VanDerWaalsContact C-N 3.29Å; T255-N257 PolarHBondContact O-N 3.18Å
256D33.1Very low39Very low154 Ų154101.9 Ų101.982%0.82457%0.574SS**  trans-46.598.3170-148.2-4.5000107T254 C258T254-D256 PolarHBondContact O-N 2.8Å; D256-C258 PolarHBondContact O-N 2.89Å
257N41.4Very low39.8Very low139 Ų139101.3 Ų101.374%0.74357%0.571SS**  trans-69.376.6176.6-93.2-13.3000105.1T255 I259T255-N257 VanDerWaalsContact C-N 3.29Å; T255-N257 PolarHBondContact O-N 3.18Å; N257-I259 PolarHBondContact O-N 3.13Å
258C41.6Very low40.6Very low86 Ų8693.9 Ų93.958%0.58154%0.542SS*.  trans-61.398170.4-178.50000104.8K129 D256 I260K129-C258 VanDerWaalsContact CE-O 3.3Å; K129-C258 WeakPolarHBondContact CE-O 3.45Å; K129-C258 PolarHBondContact NZ-O 3.19Å; K129-C258 PolarHBondContact NZ-SG 3.13Å; D256-C258 PolarHBondContact O-N 2.89Å; C258-I260 PolarHBondContact O-N 3.06Å
259I43.2Very low41.2Very low96 Ų9696 Ų9649%0.49255%0.55SS..  trans-51.3124.4179-65.7172.9000106.4Y7 N257 T261Y7-I259 VanDerWaalsContact CB-CG2 3.47Å; Y7-I259 HydrophobicContact CG-CG2 4.2Å; N257-I259 PolarHBondContact O-N 3.13Å; I259-T261 PolarHBondContact O-N 3.26Å
260I49.5Very low41.8Very low27 Ų27101 Ų10114%0.13856%0.557CS.*  trans-71.993.7172.4-55.8175.4000105.8V38 K129 C258 P262V38-I260 HydrophobicContact CB-CG2 3.73Å; V38-I260 HydrophobicContact CG1-CG2 3.26Å; V38-I260 HydrophobicContact CG2-CB 4.22Å; V38-I260 HydrophobicContact CG2-CD1 3.88Å; V38-I260 HydrophobicContact CG2-CG2 3.46Å; V38-I260 VanDerWaalsContact CG2-CG2 3.46Å; K129-I260 HydrophobicContact CD-CG1 4.16Å; C258-I260 PolarHBondContact O-N 3.06Å; I260-P262 WeakPolarHBondContact O-CD 3.09Å
261T52.6Low42.2Very low57 Ų5797.2 Ų97.235%0.3553%0.531SS..  trans-60.8131170.443.60000108.2I259 T263I259-T261 PolarHBondContact O-N 3.26Å; T261-T263 PolarHBondContact O-N 2.97Å; T261-T263 PolarHBondContact O-OG1 3.02Å
262P47.8Very low42.7Very low38 Ų3896.4 Ų96.425%0.24752%0.522CS..  trans-54.3117.8169.3-33.541.3000112.2R15 V38 I260R15-P262 VanDerWaalsContact NH1-CB 3.25Å; V38-P262 WeakPolarHBondContact O-CA 3.34Å; I260-P262 WeakPolarHBondContact O-CD 3.09Å
263T59.4Low43.7Very low37 Ų3794 Ų9423%0.22751%0.509CS..EExtended strand (participates in β ladder)trans-115.4122.6174.2-48.60000109V38 G39 H126 T261 L265V38-T263 PolarHBondContact O-N 2.93Å; G39-T263 WeakPolarHBondContact CA-O 3.42Å; H126-T263 PolarHBondContact NE2-OG1 2.96Å; T261-T263 PolarHBondContact O-N 2.97Å; T261-T263 PolarHBondContact O-OG1 3.02Å; T263-L265 HydrophobicContact CG2-CD2 3.59Å; T263-L265 HydrophobicContact CG2-CG 4.35Å; T263-L265 PolarHBondContact O-N 3.36Å
264Y54Low44.6Very low116 Ų11692.6 Ų92.646%0.45550%0.503SS..EExtended strand (participates in β ladder)trans-78.9115.5169.9-173.6-97.3000108.6E40 G266 D267E40-Y264 HydrophobicContact CG-CD2 3.71Å; E40-Y264 HydrophobicContact CG-CE2 3.8Å; E40-Y264 WeakPolarHBondContact OE1-CD2 3.41Å; E40-Y264 WeakPolarHBondContact OE1-CE2 3.43Å; Y264-G266 VanDerWaalsContact CE1-O 3.26Å; Y264-G266 WeakPolarHBondContact CE1-O 3.49Å; Y264-D267 VanDerWaalsContact CE1-OD1 3.23Å; Y264-D267 WeakPolarHBondContact CE1-OD1 3.43Å; Y264-D267 PolarHBondContact OH-OD1 3.13Å
265L60.1Low45.9Very low9 Ų988.4 Ų88.45%0.04748%0.475CS..  trans-103.972.6-173.2-60.4177000110.1E40 G41 Q122 W123 T263E40-L265 CarbonylContact O-C 3.53Å; E40-L265 WeakPolarHBondContact O-CA 3.39Å; E40-L265 WeakPolarHBondContact O-CB 2.98Å; E40-L265 PolarHBondContact O-N 3.31Å; G41-L265 WeakPolarHBondContact CA-O 3.36Å; Q122-L265 HydrophobicContact CB-CD1 4.3Å; Q122-L265 HydrophobicContact CB-CD2 3.36Å; Q122-L265 HydrophobicContact CB-CG 4.48Å; Q122-L265 HydrophobicContact CG-CD2 3.95Å; W123-L265 HydrophobicContact CD2-CD1 3.68Å; W123-L265 HydrophobicContact CE3-CD1 4.25Å; W123-L265 HydrophobicContact CG-CD1 3.86Å; W123-L265 HydrophobicContact CZ2-CB 4.2Å; W123-L265 HydrophobicContact CZ2-CD1 4.13Å; T263-L265 HydrophobicContact CG2-CD2 3.59Å; T263-L265 HydrophobicContact CG2-CG 4.35Å; T263-L265 PolarHBondContact O-N 3.36Å
266G48.9Very low46.8Very low14 Ų1484.6 Ų84.614%0.14445%0.45CS..  trans116.6130.2159.600000116E119 Y264E119-G266 WeakPolarHBondContact OE1-CA 3.35Å; Y264-G266 VanDerWaalsContact CE1-O 3.26Å; Y264-G266 WeakPolarHBondContact CE1-O 3.49Å
267D42.4Very low47.4Very low123 Ų12382 Ų8266%0.65844%0.44SS*.  trans-106103.5159.8-79.9-39.7000108.7Y264 N269Y264-D267 VanDerWaalsContact CE1-OD1 3.23Å; Y264-D267 WeakPolarHBondContact CE1-OD1 3.43Å; Y264-D267 PolarHBondContact OH-OD1 3.13Å; D267-N269 PolarHBondContact O-N 3.49Å; D267-N269 VanDerWaalsContact O-N 3.17Å
268V45Very low47.7Very low41 Ų4179.6 Ų79.625%0.24843%0.425CS..  trans-73.5109.6172.1173.30000109V42 R72 M270V42-V268 HydrophobicContact CB-CG2 4Å; V42-V268 HydrophobicContact CG1-CG2 4.36Å; R72-V268 PolarHBondContact NH2-O 2.88Å; V268-M270 PolarHBondContact O-N 2.92Å
269N38.9Very low47.9Very low160 Ų16080.3 Ų80.386%0.85643%0.43SS*.  trans-42.7121.6156.3-85.6-30000109.8D267 I271D267-N269 PolarHBondContact O-N 3.49Å; D267-N269 VanDerWaalsContact O-N 3.17Å; N269-I271 PolarHBondContact O-N 3.39Å
270M36.8Very low47.8Very low171 Ų17177.6 Ų77.684%0.84242%0.417SS*.SBendtrans8.694.6170-63.8-63.6155.900116.9V268V268-M270 PolarHBondContact O-N 2.92Å
271I40.9Very low47.2Very low66 Ų6682.1 Ų82.134%0.33845%0.446SS..  trans24.6104134.4-54.1170.9000115.7N269 D273N269-I271 PolarHBondContact O-N 3.39Å; I271-D273 HydrophobicContact CG2-CB 4.05Å; I271-D273 VanDerWaalsContact CG2-N 3.32Å; I271-D273 WeakPolarHBondContact CG2-OD1 3.39Å; I271-D273 PolarHBondContact O-N 3.35Å
272N39.7Very low46.7Very low107 Ų10781.6 Ų81.657%0.57244%0.441SS*.  trans-80.399.9141.4-85.1-1.9000107.1E274 L275N272-E274 HydrophobicContact CB-CB 4.46Å; N272-E274 PolarHBondContact O-N 2.79Å; N272-L275 PolarHBondContact O-N 3.14Å; N272-L275 VanDerWaalsContact O-N 3.16Å
273D48.4Very low46.2Very low111 Ų11184 Ų8459%0.59446%0.459SS*.G310 helixtrans-54.1-23175-89.6-40.8000111.5I271 L275 N276 T277I271-D273 HydrophobicContact CG2-CB 4.05Å; I271-D273 VanDerWaalsContact CG2-N 3.32Å; I271-D273 WeakPolarHBondContact CG2-OD1 3.39Å; I271-D273 PolarHBondContact O-N 3.35Å; D273-L275 PolarHBondContact O-N 3.47Å; D273-N276 PolarHBondContact O-N 2.89Å; D273-T277 WeakPolarHBondContact O-CG2 3.45Å
274E50.7Low45.4Very low143 Ų14385.2 Ų85.267%0.66846%0.464SS*.G310 helixtrans-48.8-33.2174.5-61.1-174.2162.800114.3N272 N276 T277N272-E274 HydrophobicContact CB-CB 4.46Å; N272-E274 PolarHBondContact O-N 2.79Å; E274-N276 PolarHBondContact O-N 2.96Å; E274-T277 PolarHBondContact O-OG1 3.05Å
275L56.2Low44.4Very low51 Ų5183.4 Ų83.427%0.26747%0.465SS..G310 helixtrans-79.6-12.8-179.7-66.6177.5000114L53 N272 D273L53-L275 HydrophobicContact CD1-CB 4.37Å; L53-L275 HydrophobicContact CD1-CD1 4.16Å; L53-L275 HydrophobicContact CD2-CD1 3.93Å; L53-L275 HydrophobicContact CG-CB 4.05Å; L53-L275 HydrophobicContact CG-CD1 3.78Å; N272-L275 PolarHBondContact O-N 3.14Å; N272-L275 VanDerWaalsContact O-N 3.16Å; D273-L275 PolarHBondContact O-N 3.47Å
276N51.6Low43.2Very low30 Ų3088.1 Ų88.116%0.1649%0.494CS..THydrogen-bonded Turntrans-114.2-1.9-171.6-76.6-31.2000115.6R67 D273 E274 E278R67-N276 PolarHBondContact NH2-O 3.44Å; D273-N276 PolarHBondContact O-N 2.89Å; E274-N276 PolarHBondContact O-N 2.96Å; N276-E278 PolarHBondContact O-N 3.18Å
277T46.7Very low42.4Very low101 Ų10194.9 Ų94.962%0.6252%0.522SS*.  trans-74.70.1-168460000117.8D273 E274D273-T277 WeakPolarHBondContact O-CG2 3.45Å; E274-T277 PolarHBondContact O-OG1 3.05Å
278E46.5Very low42.1Very low88 Ų8896.6 Ų96.641%0.41153%0.531SS..  trans-119136-178.8-82.1171-139.900113.8K50 R67 N276K50-E278 WeakPolarHBondContact CE-OE1 3.45Å; K50-E278 WeakPolarHBondContact CE-OE2 3.42Å; K50-E278 IonicContact NZ-OE1 3.21Å; K50-E278 PolarHBondContact NZ-OE1 3.1Å; K50-E278 IonicContact NZ-OE2 3.8Å; R67-E278 PolarHBondContact NH2-O 2.92Å; N276-E278 PolarHBondContact O-N 3.18Å
279S45.8Very low41.9Very low100 Ų100101 Ų10170%0.69955%0.549SS*.  trans-72.7140167.447.30000111.2T281S279-T281 PolarHBondContact O-N 3.33Å
280D42.1Very low42Very low40 Ų4097.6 Ų97.621%0.21453%0.527CS..  trans-82112.9179.7-68.2-34.3000109.5K52 R54 D282K52-D280 IonicContact NZ-OD1 3.4Å; K52-D280 PolarHBondContact NZ-OD1 3.09Å; R54-D280 IonicContact NH2-OD1 3.02Å; R54-D280 IonicContact NH2-OD2 3.88Å; R54-D280 PolarHBondContact NH2-OD2 3.42Å; R54-D280 VanDerWaalsContact NH2-OD2 3.16Å; D280-D282 HydrophobicContact CB-CB 4.46Å
281T36.4Very low42.2Very low121 Ų12192.8 Ų92.874%0.74251%0.507SS*.  trans-97.260.514164.20000106.9S279 S283S279-T281 PolarHBondContact O-N 3.33Å; T281-S283 PolarHBondContact O-N 2.98Å; T281-S283 VanDerWaalsContact O-N 3.15Å
282D41.7Very low42.4Very low47 Ų4795.3 Ų95.325%0.25152%0.521SS..  trans-65.4114.5158.2-87.4-31.1000105.1R48 D280 D284R48-D282 IonicContact CZ-OD1 3.35Å; R48-D282 IonicContact NE-OD1 3.16Å; R48-D282 IonicContact NH2-OD1 2.71Å; R48-D282 PolarHBondContact NH2-OD1 2.71Å; D280-D282 HydrophobicContact CB-CB 4.46Å; D282-D284 HydrophobicContact CB-CB 3.83Å; D282-D284 PolarHBondContact O-N 3.47Å
283S37.3Very low43Very low89 Ų8997.9 Ų97.962%0.62253%0.527SS*.THydrogen-bonded Turntrans-63.328.6163.654.20000112T281T281-S283 PolarHBondContact O-N 2.98Å; T281-S283 VanDerWaalsContact O-N 3.15Å
284D42.5Very low43.1Very low62 Ų6294.3 Ų94.333%0.33251%0.506SS..THydrogen-bonded Turntrans-95.3-9.3-176.9-73.9-0.6000111.9K108 D282K108-D284 IonicContact NZ-OD2 2.82Å; K108-D284 PolarHBondContact NZ-OD2 3.25Å; D282-D284 HydrophobicContact CB-CB 3.83Å; D282-D284 PolarHBondContact O-N 3.47Å
285T34.9Very low42.7Very low77 Ų7789.7 Ų89.747%0.47249%0.486SS..  trans-104100.2172.851.40000108.9E287T285-E287 PolarHBondContact O-N 2.85Å; T285-E287 VanDerWaalsContact O-N 3.13Å
286T33.7Very low41.5Very low109 Ų10995.2 Ų95.267%0.66951%0.51SS*.  trans-65.795.613249.80000104.2
287E32.8Very low40.8Very low155 Ų155102.8 Ų102.872%0.72457%0.565SS**THydrogen-bonded Turntrans-50.2140.3164.6-67.3174158.200107.4T285T285-E287 PolarHBondContact O-N 2.85Å; T285-E287 VanDerWaalsContact O-N 3.13Å
288D36.5Very low40.5Very low160 Ų160102.9 Ų102.986%0.85656%0.562SS**THydrogen-bonded Turntrans91.98.9161.9-52-26.4000122.4
289E39.5Very low40.2Very low134 Ų134103.6 Ų103.663%0.62657%0.57SS**SBendtrans-128.6110.8165.9-79.8-167.2-171.400114.3
290K41.6Very low39.8Very low87 Ų87103.8 Ų103.838%0.37856%0.563SS.*  trans99.242.4154-56.2152.8-173.6148.80118.2
291V40.4Very low39.7Very low70 Ų70107.6 Ų107.642%0.42458%0.583SS.*SBendtrans-64.4-26.7148.2-170.20000110.1F80 K293 F294 I295F80-V291 HydrophobicContact CE2-CG1 4.38Å; V291-K293 VanDerWaalsContact C-N 3.31Å; V291-K293 PolarHBondContact O-N 2.92Å; V291-F294 PolarHBondContact O-N 3.25Å; V291-I295 HydrophobicContact CB-CD1 4.47Å; V291-I295 HydrophobicContact CG1-CD1 3.93Å; V291-I295 WeakPolarHBondContact O-CG1 3.23Å
292D46.2Very low39.9Very low119 Ų119106.8 Ų106.864%0.63657%0.574SS**G310 helixtrans-63.8-22.5-172.6-63.5-22.8000116.2F294 I295D292-F294 PolarHBondContact O-N 2.89Å; D292-I295 WeakPolarHBondContact O-CB 3.26Å; D292-I295 PolarHBondContact O-N 3.48Å; D292-I295 VanDerWaalsContact O-O 3.1Å
293K52.7Low39.8Very low162 Ų162110.7 Ų110.770%0.70460%0.595SS**G310 helixtrans-70.2-17.7179-76.6-161.8174.7-1620114.1V291 I295V291-K293 VanDerWaalsContact C-N 3.31Å; V291-K293 PolarHBondContact O-N 2.92Å; K293-I295 VanDerWaalsContact C-N 3.31Å
294F50.6Low40Very low36 Ų36112.3 Ų112.316%0.15859%0.593CS.*G310 helixtrans-92.93.4173.2-61.5-78.5000112.2V62 F80 D82 V291 D292V62-F294 HydrophobicContact CB-CE1 4.49Å; V62-F294 HydrophobicContact CG2-CD1 4.04Å; V62-F294 HydrophobicContact CG2-CE1 3.8Å; V62-F294 HydrophobicContact CG2-CZ 4.46Å; F80-F294 HydrophobicContact CB-CD2 3.82Å; F80-F294 HydrophobicContact CB-CE1 4.47Å; F80-F294 HydrophobicContact CB-CE2 3.41Å; F80-F294 VanDerWaalsContact CB-CE2 3.41Å; F80-F294 HydrophobicContact CB-CZ 3.77Å; F80-F294 HydrophobicContact CD1-CD2 4.18Å; F80-F294 HydrophobicContact CD1-CG 4.27Å; F80-F294 HydrophobicContact CG-CD2 4.09Å; F80-F294 HydrophobicContact CG-CE2 4.18Å; D82-F294 HydrophobicContact CB-CE1 3.97Å; D82-F294 HydrophobicContact CB-CZ 4.09Å; V291-F294 PolarHBondContact O-N 3.25Å; D292-F294 PolarHBondContact O-N 2.89Å
295I41.9Very low39.8Very low45 Ų45116.2 Ų116.223%0.23161%0.613CS.*SBendtrans-114.8113.4-169.6-60.5-180000107.7V291 D292 K293V291-I295 HydrophobicContact CB-CD1 4.47Å; V291-I295 HydrophobicContact CG1-CD1 3.93Å; V291-I295 WeakPolarHBondContact O-CG1 3.23Å; D292-I295 WeakPolarHBondContact O-CB 3.26Å; D292-I295 PolarHBondContact O-N 3.48Å; D292-I295 VanDerWaalsContact O-O 3.1Å; K293-I295 VanDerWaalsContact C-N 3.31Å
296H30.8Very low40.2Very low168 Ų168119.4 Ų119.478%0.77863%0.625SS**  trans68.198.7173.6-57.5-52.7000117.7
297S35.8Very low40.8Very low188 Ų188120.4 Ų120.4100%1.31562%0.621SS**  -138.10122.3-650000107.8

Retrieved 297 of 297 residues in 512.8 ms (Link to these results)

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