A0A096MKW4_PAPAN Loading...

Aldehyde dehydrogenase

AlphaFold DB (A0A2K5LLA3), UniProt , Accession A0A096MKW4, Species PAPAN (Papio anubis, Olive baboon), Gene ALDH3B1, Length 468 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
1M74.8Confident94Very high240 Ų24079.5 Ų79.5100%1.18239%0.39SS*.  0135.30-80.3-174.8-8000106.8P3M1-P3 WeakPolarHBondContact O-CD 3.36Å
2D88.4Confident94.3Very high64 Ų6477.8 Ų77.834%0.34238%0.376SS..  trans-71.2117.7176.3-178.1-22.5000109F4 E5 H179D2-F4 PolarHBondContact O-N 2.88Å; D2-F4 PolarHBondContact OD1-N 3.37Å; D2-E5 HydrophobicContact CB-CB 4.12Å; D2-H179 IonicContact OD1-CE1 3.22Å; D2-H179 IonicContact OD1-NE2 2.97Å; D2-H179 PolarHBondContact OD1-NE2 3.16Å; D2-H179 IonicContact OD2-CE1 2.66Å; D2-H179 PolarHBondContact OD2-CE1 3.32Å; D2-H179 IonicContact OD2-NE2 2.66Å; D2-H179 PolarHBondContact OD2-NE2 2.86Å
3P91.9Very high94.6Very high87 Ų8780.6 Ų80.657%0.56539%0.388SS*.THydrogen-bonded Turntrans-70-11.5-17530-35.6000113.6M1M1-P3 WeakPolarHBondContact O-CD 3.36Å
4F96.3Very high94.9Very high14 Ų1475.7 Ų75.76%0.06137%0.368CS..THydrogen-bonded Turntrans-104-16.8-175.4-50.1-51.1000113.7D2 D6 T7 L8 V166 E172 Q175 L176D2-F4 PolarHBondContact O-N 2.88Å; D2-F4 PolarHBondContact OD1-N 3.37Å; F4-D6 PolarHBondContact O-N 3.35Å; F4-T7 PolarHBondContact O-N 3.11Å; F4-L8 HydrophobicContact CB-CD1 3.9Å; F4-L8 HydrophobicContact CB-CG 4.19Å; F4-L8 VanDerWaalsContact O-CG 3.29Å; F4-L8 WeakPolarHBondContact O-CG 3.45Å; F4-L8 PolarHBondContact O-N 3.32Å; F4-V166 HydrophobicContact CD1-CG1 3.74Å; F4-V166 HydrophobicContact CD1-CG2 4.3Å; F4-V166 HydrophobicContact CE1-CG1 3.26Å; F4-V166 HydrophobicContact CZ-CG1 3.96Å; F4-E172 HydrophobicContact CZ-CB 4.23Å; F4-Q175 HydrophobicContact CE2-CB 3.9Å; F4-L176 HydrophobicContact CB-CD1 4.27Å; F4-L176 HydrophobicContact CD1-CD1 4.34Å; F4-L176 HydrophobicContact CD2-CB 4.16Å; F4-L176 HydrophobicContact CD2-CD1 3.97Å; F4-L176 HydrophobicContact CE2-CB 3.91Å; F4-L176 HydrophobicContact CE2-CD1 4.42Å; F4-L176 HydrophobicContact CG-CD1 3.92Å; F4-L176 HydrophobicContact CZ-CB 4.43Å
5E94.8Very high95.1Very high111 Ų11172.7 Ų72.752%0.51935%0.352SS..Hα-helixtrans-53.7-50.3-169.6-174.3174.9-177.900113.1D2 T7 L8 R9D2-E5 HydrophobicContact CB-CB 4.12Å; E5-T7 PolarHBondContact O-N 3.2Å; E5-L8 PolarHBondContact O-N 3.21Å; E5-R9 VanDerWaalsContact O-CB 3.28Å; E5-R9 WeakPolarHBondContact O-CB 3.38Å; E5-R9 PolarHBondContact O-N 3.1Å
6D96.5Very high95.3Very high104 Ų10477.1 Ų77.156%0.55637%0.372SS*.Hα-helixtrans-63.3-43.8-179.1-75.5-28.6000112.7F4 R9 R10F4-D6 PolarHBondContact O-N 3.35Å; D6-R9 IonicContact OD1-CZ 2.84Å; D6-R9 IonicContact OD1-NH2 3.11Å; D6-R9 PolarHBondContact OD1-NH2 2.7Å; D6-R10 WeakPolarHBondContact O-CB 3.31Å; D6-R10 PolarHBondContact O-N 2.69Å
7T97.6Very high95.5Very high41 Ų4178.9 Ų78.925%0.25239%0.388SS..Hα-helixtrans-63-48.2178.6-66.30000110.6F4 E5 R10 L11 A164F4-T7 PolarHBondContact O-N 3.11Å; E5-T7 PolarHBondContact O-N 3.2Å; T7-R10 PolarHBondContact O-N 3.11Å; T7-L11 HydrophobicContact CG2-CD1 4.08Å; T7-L11 VanDerWaalsContact O-CG 3.28Å; T7-L11 WeakPolarHBondContact O-CG 3.35Å; T7-L11 PolarHBondContact O-N 2.86Å; T7-L11 VanDerWaalsContact O-N 3.15Å; T7-A164 HydrophobicContact CG2-CB 3.53Å
8L98.3Very high95.6Very high4 Ų475.4 Ų75.42%0.02138%0.376CS..Hα-helixtrans-67.3-39.4-178.6-62.7177.4000111.8F4 E5 L11 R12 L107 V136 L176 H179 F181F4-L8 HydrophobicContact CB-CD1 3.9Å; F4-L8 HydrophobicContact CB-CG 4.19Å; F4-L8 VanDerWaalsContact O-CG 3.29Å; F4-L8 WeakPolarHBondContact O-CG 3.45Å; F4-L8 PolarHBondContact O-N 3.32Å; E5-L8 PolarHBondContact O-N 3.21Å; L8-L11 PolarHBondContact O-N 3.08Å; L8-R12 WeakPolarHBondContact O-CG 3.34Å; L8-R12 PolarHBondContact O-N 2.99Å; L8-R12 VanDerWaalsContact O-N 3.11Å; L8-L107 HydrophobicContact CD2-CD2 4.01Å; L8-V136 HydrophobicContact CD2-CG2 3.63Å; L8-L176 HydrophobicContact CD1-CD1 4.47Å; L8-H179 HydrophobicContact CD1-CB 3.58Å; L8-H179 WeakPolarHBondContact CD1-ND1 3.25Å; L8-F181 HydrophobicContact CD2-CE1 3.96Å; L8-F181 HydrophobicContact CD2-CZ 3.91Å
9R98.1Very high95.6Very high123 Ų12378.1 Ų78.146%0.46438%0.382SS..Hα-helixtrans-58.7-51.2174.7177.1173.160.5-166.12111.3E5 D6 L11 R12 E13E5-R9 VanDerWaalsContact O-CB 3.28Å; E5-R9 WeakPolarHBondContact O-CB 3.38Å; E5-R9 PolarHBondContact O-N 3.1Å; D6-R9 IonicContact OD1-CZ 2.84Å; D6-R9 IonicContact OD1-NH2 3.11Å; D6-R9 PolarHBondContact OD1-NH2 2.7Å; R9-L11 VanDerWaalsContact C-N 3.32Å; R9-L11 PolarHBondContact O-N 2.79Å; R9-R12 PolarHBondContact O-N 3.05Å; R9-E13 HydrophobicContact CG-CG 4.41Å; R9-E13 VanDerWaalsContact CG-OE1 3.28Å; R9-E13 WeakPolarHBondContact CG-OE1 3.4Å; R9-E13 WeakPolarHBondContact O-CG 3.42Å; R9-E13 PolarHBondContact O-N 3.43Å
10R98.1Very high95.7Very high87 Ų8774.3 Ų74.333%0.32836%0.363SS..Hα-helixtrans-55.9-45.4179.2179.7-178.751.470.9-19.7112.2D6 T7 E13 A14 E160 S161D6-R10 WeakPolarHBondContact O-CB 3.31Å; D6-R10 PolarHBondContact O-N 2.69Å; T7-R10 PolarHBondContact O-N 3.11Å; R10-E13 PolarHBondContact O-N 3.19Å; R10-A14 WeakPolarHBondContact O-CB 3.37Å; R10-A14 PolarHBondContact O-N 2.83Å; R10-E160 VanDerWaalsContact CZ-O 3.27Å; R10-E160 PolarHBondContact NH1-O 3.4Å; R10-E160 PolarHBondContact NH2-O 2.85Å; R10-S161 PolarHBondContact NH1-O 3.25Å
11L98.6Very high95.7Very high0 Ų078.6 Ų78.60%038%0.375CS..Hα-helixtrans-64.5-41.6-179.8-66.4168000112T7 L8 R9 A14 F15 L107 C134 V136 S161 F163 A164T7-L11 HydrophobicContact CG2-CD1 4.08Å; T7-L11 VanDerWaalsContact O-CG 3.28Å; T7-L11 WeakPolarHBondContact O-CG 3.35Å; T7-L11 PolarHBondContact O-N 2.86Å; T7-L11 VanDerWaalsContact O-N 3.15Å; L8-L11 PolarHBondContact O-N 3.08Å; R9-L11 VanDerWaalsContact C-N 3.32Å; R9-L11 PolarHBondContact O-N 2.79Å; L11-A14 PolarHBondContact O-N 2.89Å; L11-F15 PolarHBondContact O-N 3.43Å; L11-L107 HydrophobicContact CB-CD1 3.66Å; L11-L107 HydrophobicContact CD1-CD1 3.91Å; L11-L107 HydrophobicContact CG-CD1 4.37Å; L11-C134 HydrophobicContact CB-CB 4.4Å; L11-C134 PolarHBondContact O-SG 3.22Å; L11-V136 HydrophobicContact CD1-CG2 3.42Å; L11-V136 VanDerWaalsContact CD1-CG2 3.42Å; L11-S161 WeakPolarHBondContact CD2-O 3.49Å; L11-F163 VanDerWaalsContact CD2-N 3.3Å; L11-A164 HydrophobicContact CD1-CB 3.95Å
12R98.6Very high96.8Very high58 Ų5869.6 Ų69.622%0.21934%0.336CS..Hα-helixtrans-65.3-45176.2-69.9-175.7-152.8-80.5-4.1112.2L8 R9 A14 F15 H16 L107 R180L8-R12 WeakPolarHBondContact O-CG 3.34Å; L8-R12 PolarHBondContact O-N 2.99Å; L8-R12 VanDerWaalsContact O-N 3.11Å; R9-R12 PolarHBondContact O-N 3.05Å; R12-A14 VanDerWaalsContact C-N 3.3Å; R12-A14 PolarHBondContact O-N 2.76Å; R12-F15 PolarHBondContact O-N 2.99Å; R12-H16 PolarHBondContact O-CD2 3.29Å; R12-H16 PolarHBondContact O-N 3.27Å; R12-L107 HydrophobicContact CG-CD2 4.05Å; R12-R180 PolarHBondContact NH1-O 2.79Å; R12-R180 PolarHBondContact NH2-O 3.09Å
13E98.3Very high97.3Very high115 Ų11567.1 Ų67.154%0.53732%0.324SS..Hα-helixtrans-58-46.4177.3-73.3172.4178.900110.5R9 R10 F15 H16 T17R9-E13 HydrophobicContact CG-CG 4.41Å; R9-E13 VanDerWaalsContact CG-OE1 3.28Å; R9-E13 WeakPolarHBondContact CG-OE1 3.4Å; R9-E13 WeakPolarHBondContact O-CG 3.42Å; R9-E13 PolarHBondContact O-N 3.43Å; R10-E13 PolarHBondContact O-N 3.19Å; E13-F15 PolarHBondContact O-N 3.43Å; E13-H16 PolarHBondContact O-N 3.21Å; E13-T17 VanDerWaalsContact O-CG2 3.31Å; E13-T17 WeakPolarHBondContact O-CG2 3.29Å; E13-T17 PolarHBondContact O-N 3.44Å; E13-T17 VanDerWaalsContact O-N 3.15Å
14A98.1Very high97.6Very high12 Ų1267.9 Ų67.910%0.09932%0.321CS..Hα-helixtrans-59.4-44.6175.700000112.3R10 L11 R12 H16 T17 S161R10-A14 WeakPolarHBondContact O-CB 3.37Å; R10-A14 PolarHBondContact O-N 2.83Å; L11-A14 PolarHBondContact O-N 2.89Å; R12-A14 VanDerWaalsContact C-N 3.3Å; R12-A14 PolarHBondContact O-N 2.76Å; A14-H16 PolarHBondContact O-N 2.94Å; A14-T17 PolarHBondContact O-N 3.29Å; A14-T17 PolarHBondContact O-OG1 2.97Å; A14-S161 WeakPolarHBondContact CB-O 3.34Å
15F98.6Very high97.8Very high30 Ų3068.7 Ų68.713%0.13232%0.324CS..Hα-helixtrans-59.4-44.8174.8-177.9-105.2000112.1L11 R12 E13 T17 G18 P104 G106 C134L11-F15 PolarHBondContact O-N 3.43Å; R12-F15 PolarHBondContact O-N 2.99Å; E13-F15 PolarHBondContact O-N 3.43Å; F15-T17 VanDerWaalsContact C-N 3.26Å; F15-T17 PolarHBondContact O-N 3.26Å; F15-G18 PolarHBondContact O-N 3.49Å; F15-P104 HydrophobicContact CE2-CB 3.93Å; F15-P104 HydrophobicContact CE2-CG 3.78Å; F15-P104 HydrophobicContact CZ-CB 4.21Å; F15-P104 HydrophobicContact CZ-CG 3.92Å; F15-G106 VanDerWaalsContact CZ-CA 3.43Å; F15-C134 HydrophobicContact CB-CB 4.49Å
16H98.2Very high97.9Very high144 Ų14463.9 Ų63.967%0.66730%0.301SS*.Hα-helixtrans-64.6-26.4-178.7-74-49.6000113.8R12 E13 A14 G18R12-H16 PolarHBondContact O-CD2 3.29Å; R12-H16 PolarHBondContact O-N 3.27Å; E13-H16 PolarHBondContact O-N 3.21Å; A14-H16 PolarHBondContact O-N 2.94Å; H16-G18 PolarHBondContact O-N 2.94Å
17T98Very high98.1Very high107 Ų10759.5 Ų59.566%0.65628%0.279SS*.THydrogen-bonded Turntrans-64.7-17171.472.30000113.3E13 A14 F15 R19E13-T17 VanDerWaalsContact O-CG2 3.31Å; E13-T17 WeakPolarHBondContact O-CG2 3.29Å; E13-T17 PolarHBondContact O-N 3.44Å; E13-T17 VanDerWaalsContact O-N 3.15Å; A14-T17 PolarHBondContact O-N 3.29Å; A14-T17 PolarHBondContact O-OG1 2.97Å; F15-T17 VanDerWaalsContact C-N 3.26Å; F15-T17 PolarHBondContact O-N 3.26Å; T17-R19 VanDerWaalsContact C-N 3.33Å; T17-R19 WeakPolarHBondContact OG1-CB 3.48Å; T17-R19 PolarHBondContact OG1-N 3.42Å
18G97.2Very high98.1Very high17 Ų1759.7 Ų59.718%0.17529%0.285CS..THydrogen-bonded Turntrans818.4-175.100000114.3F15 H16 T20 R21F15-G18 PolarHBondContact O-N 3.49Å; H16-G18 PolarHBondContact O-N 2.94Å; G18-T20 PolarHBondContact O-N 3.14Å; G18-T20 VanDerWaalsContact O-N 3.17Å; G18-R21 VanDerWaalsContact O-CB 3.28Å; G18-R21 WeakPolarHBondContact O-CB 3.47Å; G18-R21 WeakPolarHBondContact O-CG 3.37Å; G18-R21 PolarHBondContact O-N 2.93Å
19R95.6Very high98.1Very high126 Ų12660.3 Ų60.348%0.47529%0.288SS..G310 helixtrans-51.3-38.5-179.7-174.8177.9-175.289.5-2.5113.4T17 R21 F25 D159T17-R19 VanDerWaalsContact C-N 3.33Å; T17-R19 WeakPolarHBondContact OG1-CB 3.48Å; T17-R19 PolarHBondContact OG1-N 3.42Å; R19-R21 VanDerWaalsContact C-N 3.28Å; R19-R21 PolarHBondContact O-N 2.84Å; R19-F25 HydrophobicContact CG-CD2 4.08Å; R19-F25 HydrophobicContact CG-CE2 3.86Å; R19-F25 HydrophobicContact CG-CZ 4.36Å; R19-F25 WeakPolarHBondContact O-CG 3.35Å; R19-D159 IonicContact CZ-OD2 3.87Å; R19-D159 VanDerWaalsContact CZ-OD2 3.24Å; R19-D159 IonicContact NE-OD2 3.86Å; R19-D159 PolarHBondContact NE-OD2 3.38Å; R19-D159 IonicContact NH2-OD2 3.86Å; R19-D159 PolarHBondContact NH2-OD2 3.17Å
20T98Very high98.2Very high1 Ų154.4 Ų54.41%0.00627%0.265CS..G310 helixtrans-79.1-3.3-177.363.90000114.6G18 F25 R26 G132 C162G18-T20 PolarHBondContact O-N 3.14Å; G18-T20 VanDerWaalsContact O-N 3.17Å; T20-F25 HydrophobicContact CG2-CD1 4.45Å; T20-F25 HydrophobicContact CG2-CE1 3.84Å; T20-F25 HydrophobicContact CG2-CZ 4.43Å; T20-R26 WeakPolarHBondContact O-CG 3.3Å; T20-R26 PolarHBondContact O-NE 3.44Å; T20-G132 WeakPolarHBondContact CB-O 3.23Å; T20-G132 PolarHBondContact OG1-O 3.24Å; T20-C162 HydrophobicContact CG2-CB 4.16Å
21R96.5Very high98.2Very high165 Ų16557.1 Ų57.162%0.62328%0.276SS*.G310 helixtrans-75.9-34.7-171.9-68.2-179.5176.4-176.8-0.2114G18 R19 R26G18-R21 VanDerWaalsContact O-CB 3.28Å; G18-R21 WeakPolarHBondContact O-CB 3.47Å; G18-R21 WeakPolarHBondContact O-CG 3.37Å; G18-R21 PolarHBondContact O-N 2.93Å; R19-R21 VanDerWaalsContact C-N 3.28Å; R19-R21 PolarHBondContact O-N 2.84Å; R21-R26 PolarHBondContact O-NE 3.04Å; R21-R26 PolarHBondContact O-NH2 2.89Å
22S98.1Very high98.2Very high51 Ų5157.1 Ų57.136%0.35728%0.276SS..SBendtrans-72.8144.8-173.270.40000112.2E24 F25 R26S22-E24 PolarHBondContact O-N 2.99Å; S22-F25 PolarHBondContact O-N 3.34Å; S22-F25 VanDerWaalsContact OG-CB 3.28Å; S22-F25 WeakPolarHBondContact OG-CB 3.47Å; S22-F25 PolarHBondContact OG-N 3.24Å; S22-R26 WeakPolarHBondContact O-CG 3.45Å; S22-R26 PolarHBondContact O-N 3.02Å
23A98.4Very high98.2Very high12 Ų1254.4 Ų54.410%0.09927%0.265CS..Hα-helixtrans-63.2-32.1176.200000111.1A27 R79 M82A23-A27 VanDerWaalsContact O-CB 3.23Å; A23-A27 WeakPolarHBondContact O-CB 3.46Å; A23-A27 PolarHBondContact O-N 3.43Å; A23-R79 HydrophobicContact CB-CG 4.4Å; A23-M82 HydrophobicContact CB-CE 3.98Å; A23-M82 HydrophobicContact CB-SD 3.81Å
24E98.7Very high98.3Very high104 Ų10449.4 Ų49.449%0.48625%0.245SC..Hα-helixtrans-63.6-46.4178.4-65.868.2-148.400111.3S22 A28 R79S22-E24 PolarHBondContact O-N 2.99Å; E24-A28 WeakPolarHBondContact O-CB 3.36Å; E24-A28 PolarHBondContact O-N 3.15Å; E24-R79 IonicContact OE1-CZ 2.76Å; E24-R79 IonicContact OE1-NH1 3.8Å; E24-R79 IonicContact OE1-NH2 3.32Å; E24-R79 PolarHBondContact OE1-NH2 3.34Å
25F98.7Very high98.3Very high30 Ų3054.2 Ų54.213%0.13226%0.261CS..Hα-helixtrans-62.1-50.7176.6178.9-90.5000110.9R19 T20 S22 A27 A28 Q29 D159 C162R19-F25 HydrophobicContact CG-CD2 4.08Å; R19-F25 HydrophobicContact CG-CE2 3.86Å; R19-F25 HydrophobicContact CG-CZ 4.36Å; R19-F25 WeakPolarHBondContact O-CG 3.35Å; T20-F25 HydrophobicContact CG2-CD1 4.45Å; T20-F25 HydrophobicContact CG2-CE1 3.84Å; T20-F25 HydrophobicContact CG2-CZ 4.43Å; S22-F25 PolarHBondContact O-N 3.34Å; S22-F25 VanDerWaalsContact OG-CB 3.28Å; S22-F25 WeakPolarHBondContact OG-CB 3.47Å; S22-F25 PolarHBondContact OG-N 3.24Å; F25-A27 VanDerWaalsContact C-N 3.34Å; F25-A27 PolarHBondContact O-N 2.89Å; F25-A28 WeakPolarHBondContact O-CB 3.37Å; F25-A28 PolarHBondContact O-N 2.89Å; F25-A28 VanDerWaalsContact O-N 3.07Å; F25-Q29 HydrophobicContact CD1-CG 4.12Å; F25-Q29 HydrophobicContact CE1-CG 3.69Å; F25-Q29 HydrophobicContact CZ-CG 4.02Å; F25-Q29 WeakPolarHBondContact O-CG 3.43Å; F25-Q29 PolarHBondContact O-N 2.69Å; F25-Q29 VanDerWaalsContact O-N 3.11Å; F25-D159 HydrophobicContact CE2-CB 4.02Å; F25-D159 WeakPolarHBondContact CE2-OD2 3.16Å; F25-D159 HydrophobicContact CZ-CB 3.91Å; F25-C162 HydrophobicContact CZ-CB 4.2Å
26R98.8Very high98.3Very high11 Ų1152.8 Ų52.84%0.04225%0.254CS..Hα-helixtrans-58.8-44.8-179.9-61.7178.9-165.3-160.9-0.5111.8T20 R21 S22 A28 Q29 L30 L78 L129 A130 A131 G132T20-R26 WeakPolarHBondContact O-CG 3.3Å; T20-R26 PolarHBondContact O-NE 3.44Å; R21-R26 PolarHBondContact O-NE 3.04Å; R21-R26 PolarHBondContact O-NH2 2.89Å; S22-R26 WeakPolarHBondContact O-CG 3.45Å; S22-R26 PolarHBondContact O-N 3.02Å; R26-A28 VanDerWaalsContact C-N 3.31Å; R26-A28 PolarHBondContact O-N 3.33Å; R26-Q29 PolarHBondContact O-N 2.92Å; R26-L30 WeakPolarHBondContact O-CG 3.34Å; R26-L30 PolarHBondContact O-N 2.67Å; R26-L78 HydrophobicContact CB-CD1 4.43Å; R26-L78 HydrophobicContact CB-CD2 3.96Å; R26-L129 WeakPolarHBondContact CG-O 3.16Å; R26-A130 VanDerWaalsContact CD-O 3.25Å; R26-A130 WeakPolarHBondContact CD-O 3.1Å; R26-A130 PolarHBondContact NH1-O 2.84Å; R26-A131 PolarHBondContact NH1-O 3.36Å; R26-A131 PolarHBondContact NH2-O 3.29Å; R26-G132 VanDerWaalsContact CZ-CA 3.48Å
27A98.9Very high98.3Very high12 Ų1246 Ų4610%0.09922%0.223CC..Hα-helixtrans-63.2-35.4176.200000112.6A23 F25 L30 R31 L75 L78A23-A27 VanDerWaalsContact O-CB 3.23Å; A23-A27 WeakPolarHBondContact O-CB 3.46Å; A23-A27 PolarHBondContact O-N 3.43Å; F25-A27 VanDerWaalsContact C-N 3.34Å; F25-A27 PolarHBondContact O-N 2.89Å; A27-L30 PolarHBondContact O-N 3.35Å; A27-R31 WeakPolarHBondContact O-CG 3.46Å; A27-R31 PolarHBondContact O-N 2.89Å; A27-L75 HydrophobicContact CB-CD2 4.03Å; A27-L78 HydrophobicContact CB-CD2 3.99Å
28A98.9Very high98.4Very high44 Ų4448.2 Ų48.236%0.36423%0.225SC..Hα-helixtrans-64.1-42.5175.500000112E24 F25 R26 R31 G32E24-A28 WeakPolarHBondContact O-CB 3.36Å; E24-A28 PolarHBondContact O-N 3.15Å; F25-A28 WeakPolarHBondContact O-CB 3.37Å; F25-A28 PolarHBondContact O-N 2.89Å; F25-A28 VanDerWaalsContact O-N 3.07Å; R26-A28 VanDerWaalsContact C-N 3.31Å; R26-A28 PolarHBondContact O-N 3.33Å; A28-R31 PolarHBondContact O-N 2.66Å; A28-G32 PolarHBondContact O-N 2.87Å
29Q98.9Very high98.4Very high17 Ų1752.7 Ų52.78%0.07924%0.242CC..Hα-helixtrans-62.9-46175.7-56.8-50.1-59.800111.7F25 R26 R31 G32 L33 L129 L158F25-Q29 HydrophobicContact CD1-CG 4.12Å; F25-Q29 HydrophobicContact CE1-CG 3.69Å; F25-Q29 HydrophobicContact CZ-CG 4.02Å; F25-Q29 WeakPolarHBondContact O-CG 3.43Å; F25-Q29 PolarHBondContact O-N 2.69Å; F25-Q29 VanDerWaalsContact O-N 3.11Å; R26-Q29 PolarHBondContact O-N 2.92Å; Q29-R31 PolarHBondContact O-N 3.3Å; Q29-G32 VanDerWaalsContact O-CA 3.28Å; Q29-G32 WeakPolarHBondContact O-CA 3.44Å; Q29-G32 PolarHBondContact O-N 2.95Å; Q29-L33 PolarHBondContact O-N 3.34Å; Q29-L129 HydrophobicContact CB-CD1 4.18Å; Q29-L129 HydrophobicContact CB-CD2 4.41Å; Q29-L158 HydrophobicContact CB-CD2 4.21Å; Q29-L158 WeakPolarHBondContact O-CD2 3.19Å
30L98.9Very high98.6Very high0 Ų047.9 Ų47.90%023%0.226CC..Hα-helixtrans-61.6-40.8177.1-67.6175000112.5R26 A27 G32 L33 G34 I71 A74 L75 V126 L129 A130R26-L30 WeakPolarHBondContact O-CG 3.34Å; R26-L30 PolarHBondContact O-N 2.67Å; A27-L30 PolarHBondContact O-N 3.35Å; L30-G32 VanDerWaalsContact C-N 3.26Å; L30-G32 PolarHBondContact O-N 2.84Å; L30-L33 PolarHBondContact O-N 2.81Å; L30-G34 PolarHBondContact O-N 3.34Å; L30-G34 VanDerWaalsContact O-N 3.11Å; L30-I71 VanDerWaalsContact O-CG2 3.27Å; L30-I71 WeakPolarHBondContact O-CG2 3.48Å; L30-A74 HydrophobicContact CD1-CB 3.9Å; L30-A74 HydrophobicContact CD2-CB 4.47Å; L30-L75 HydrophobicContact CB-CD1 4.46Å; L30-L75 HydrophobicContact CB-CD2 3.73Å; L30-L75 HydrophobicContact CB-CG 3.9Å; L30-L75 HydrophobicContact CD1-CD2 4.15Å; L30-L75 HydrophobicContact CD1-CG 4.27Å; L30-V126 HydrophobicContact CD2-CB 4.33Å; L30-V126 HydrophobicContact CD2-CG1 3.91Å; L30-V126 HydrophobicContact CD2-CG2 4.43Å; L30-L129 HydrophobicContact CD2-CB 4.39Å; L30-A130 HydrophobicContact CD1-CB 4.26Å
31R98.9Very high98.5Very high144 Ų14452 Ų5254%0.54324%0.243SC..Hα-helixtrans-65.3-32.1171.6-70.4-177.7-162.2117.8-2.1112.1A27 A28 Q29 G34 R35 L75A27-R31 WeakPolarHBondContact O-CG 3.46Å; A27-R31 PolarHBondContact O-N 2.89Å; A28-R31 PolarHBondContact O-N 2.66Å; Q29-R31 PolarHBondContact O-N 3.3Å; R31-G34 PolarHBondContact O-N 3.44Å; R31-R35 WeakPolarHBondContact O-CG 3.19Å; R31-R35 PolarHBondContact O-N 3.2Å; R31-R35 PolarHBondContact O-NH1 2.97Å; R31-L75 HydrophobicContact CG-CD1 3.99Å; R31-L75 HydrophobicContact CG-CD2 4.03Å
32G98.9Very high98.6Very high0 Ų050 Ų500%024%0.241CC..Hα-helixtrans-56.8-50.2170.900000111.8A28 Q29 L30 G34 R35 F36 Y157A28-G32 PolarHBondContact O-N 2.87Å; Q29-G32 VanDerWaalsContact O-CA 3.28Å; Q29-G32 WeakPolarHBondContact O-CA 3.44Å; Q29-G32 PolarHBondContact O-N 2.95Å; L30-G32 VanDerWaalsContact C-N 3.26Å; L30-G32 PolarHBondContact O-N 2.84Å; G32-G34 VanDerWaalsContact C-N 3.32Å; G32-G34 PolarHBondContact O-N 2.98Å; G32-R35 PolarHBondContact O-N 2.85Å; G32-F36 PolarHBondContact O-N 3.11Å; G32-Y157 WeakPolarHBondContact CA-O 3.38Å
33L98.8Very high98.7Very high0 Ų051 Ų510%024%0.242CC..Hα-helixtrans-58.5-42174.2-64.6-175.6000112.7Q29 L30 R35 F36 L37 I71 L122 L125 V126 L129 L154 L158Q29-L33 PolarHBondContact O-N 3.34Å; L30-L33 PolarHBondContact O-N 2.81Å; L33-R35 VanDerWaalsContact C-N 3.34Å; L33-R35 PolarHBondContact O-N 2.86Å; L33-F36 WeakPolarHBondContact O-CB 3.18Å; L33-F36 PolarHBondContact O-N 3.44Å; L33-L37 PolarHBondContact O-N 2.98Å; L33-I71 HydrophobicContact CB-CD1 3.61Å; L33-I71 HydrophobicContact CB-CG1 4.09Å; L33-I71 HydrophobicContact CD1-CG1 4.49Å; L33-L122 HydrophobicContact CD2-CD2 4.22Å; L33-L125 HydrophobicContact CD1-CD2 4.36Å; L33-L125 HydrophobicContact CD1-CG 4.3Å; L33-L125 HydrophobicContact CD2-CD2 3.94Å; L33-V126 HydrophobicContact CD1-CG2 3.67Å; L33-L129 HydrophobicContact CD1-CD1 3.88Å; L33-L129 HydrophobicContact CG-CD1 4.32Å; L33-L154 HydrophobicContact CD2-CD1 3.67Å; L33-L158 HydrophobicContact CD2-CD1 3.95Å; L33-L158 HydrophobicContact CD2-CD2 3.9Å; L33-L158 HydrophobicContact CD2-CG 4.27Å; L33-L158 HydrophobicContact CG-CD2 4.13Å
34G98.8Very high98.7Very high11 Ų1150.4 Ų50.411%0.11324%0.237CC..Hα-helixtrans-62.1-40.8176.600000112.6L30 R31 G32 H38L30-G34 PolarHBondContact O-N 3.34Å; L30-G34 VanDerWaalsContact O-N 3.11Å; R31-G34 PolarHBondContact O-N 3.44Å; G32-G34 VanDerWaalsContact C-N 3.32Å; G32-G34 PolarHBondContact O-N 2.98Å; G34-H38 WeakPolarHBondContact O-CB 3.39Å; G34-H38 PolarHBondContact O-N 3.02Å
35R98.8Very high98.7Very high112 Ų11246.3 Ų46.342%0.42322%0.218SC..Hα-helixtrans-65.6-42.3173.3-72.2-165.5-50.2-73.31.1111.9R31 G32 L33 L37 H38 E39 Y157R31-R35 WeakPolarHBondContact O-CG 3.19Å; R31-R35 PolarHBondContact O-N 3.2Å; R31-R35 PolarHBondContact O-NH1 2.97Å; G32-R35 PolarHBondContact O-N 2.85Å; L33-R35 VanDerWaalsContact C-N 3.34Å; L33-R35 PolarHBondContact O-N 2.86Å; R35-L37 VanDerWaalsContact C-N 3.34Å; R35-L37 PolarHBondContact O-N 2.76Å; R35-H38 PolarHBondContact O-N 3.17Å; R35-E39 WeakPolarHBondContact O-CB 3.33Å; R35-E39 WeakPolarHBondContact O-CG 3.48Å; R35-E39 PolarHBondContact O-N 3.39Å; R35-Y157 HydrophobicContact CB-CD1 3.76Å; R35-Y157 HydrophobicContact CB-CE1 3.79Å
36F98.9Very high98.6Very high0 Ų048.1 Ų48.10%023%0.229CC..Hα-helixtrans-54.5-50175.5167.8-108.4000111.5G32 L33 N40 L44 L118 L122 V149 L150 V153 L154 Y157G32-F36 PolarHBondContact O-N 3.11Å; L33-F36 WeakPolarHBondContact O-CB 3.18Å; L33-F36 PolarHBondContact O-N 3.44Å; F36-N40 VanDerWaalsContact O-CB 3.3Å; F36-N40 WeakPolarHBondContact O-CB 3.41Å; F36-N40 PolarHBondContact O-N 2.71Å; F36-N40 PolarHBondContact O-ND2 3.18Å; F36-L44 HydrophobicContact CE1-CD1 4.45Å; F36-L44 HydrophobicContact CE1-CD2 4.18Å; F36-L44 HydrophobicContact CZ-CD2 3.8Å; F36-L118 HydrophobicContact CE1-CD1 4.09Å; F36-L122 HydrophobicContact CD1-CD1 4.42Å; F36-L122 HydrophobicContact CE1-CD1 4.3Å; F36-V149 HydrophobicContact CE2-CG1 4.28Å; F36-V149 HydrophobicContact CZ-CG1 4.2Å; F36-L150 HydrophobicContact CE1-CD2 4.4Å; F36-L150 HydrophobicContact CZ-CD2 4.22Å; F36-V153 HydrophobicContact CD2-CG1 4.11Å; F36-V153 HydrophobicContact CE2-CB 4.12Å; F36-V153 HydrophobicContact CE2-CG1 3.9Å; F36-L154 HydrophobicContact CB-CD1 4.28Å; F36-L154 HydrophobicContact CD1-CD1 3.73Å; F36-L154 HydrophobicContact CD2-CB 4.4Å; F36-L154 HydrophobicContact CD2-CD1 4.15Å; F36-L154 HydrophobicContact CE1-CD1 4.03Å; F36-L154 HydrophobicContact CE2-CB 4.08Å; F36-L154 HydrophobicContact CE2-CD1 4.43Å; F36-L154 HydrophobicContact CG-CD1 3.78Å; F36-L154 HydrophobicContact CZ-CB 4.21Å; F36-L154 HydrophobicContact CZ-CD1 4.36Å; F36-Y157 HydrophobicContact CB-CD1 4.08Å; F36-Y157 HydrophobicContact CB-CD2 3.81Å; F36-Y157 HydrophobicContact CB-CE1 4.49Å; F36-Y157 HydrophobicContact CB-CE2 4.25Å; F36-Y157 HydrophobicContact CB-CG 3.72Å; F36-Y157 AromaticContact CD2-CD2 3.84Å; F36-Y157 HydrophobicContact CD2-CD2 3.84Å; F36-Y157 AromaticContact CD2-CE2 3.96Å; F36-Y157 HydrophobicContact CD2-CE2 3.96Å; F36-Y157 HydrophobicContact CG-CD2 4.29Å
37L98.7Very high98.6Very high2 Ų247.7 Ų47.71%0.0123%0.228CC..Hα-helixtrans-62.4-43.3177.6-72.5178.2000112.6L33 R35 K41 L44 Q68 I71 L118 L122L33-L37 PolarHBondContact O-N 2.98Å; R35-L37 VanDerWaalsContact C-N 3.34Å; R35-L37 PolarHBondContact O-N 2.76Å; L37-K41 PolarHBondContact O-N 2.75Å; L37-L44 HydrophobicContact CD2-CD1 3.91Å; L37-Q68 HydrophobicContact CD1-CB 4.13Å; L37-I71 HydrophobicContact CD1-CD1 3.59Å; L37-L118 HydrophobicContact CD2-CD1 4.41Å; L37-L118 HydrophobicContact CD2-CD2 4.01Å; L37-L118 HydrophobicContact CD2-CG 4.49Å; L37-L122 HydrophobicContact CD1-CD1 4.27Å; L37-L122 HydrophobicContact CD2-CD1 3.55Å; L37-L122 HydrophobicContact CG-CD1 4.04Å
38H98.4Very high98.6Very high153 Ų15347.1 Ų47.171%0.70822%0.224SC*.Hα-helixtrans-71.2-50.6-175.8-176.563.9000112.7G34 R35 N40G34-H38 WeakPolarHBondContact O-CB 3.39Å; G34-H38 PolarHBondContact O-N 3.02Å; R35-H38 PolarHBondContact O-N 3.17Å; H38-N40 VanDerWaalsContact C-N 3.33Å; H38-N40 PolarHBondContact O-N 2.66Å
39E98.6Very high98.6Very high112 Ų11246.9 Ų46.952%0.52322%0.222SC..Hα-helixtrans-74.1-24.7-173.6-65.9171.1-158.700112.5R35 Y157R35-E39 WeakPolarHBondContact O-CB 3.33Å; R35-E39 WeakPolarHBondContact O-CG 3.48Å; R35-E39 PolarHBondContact O-N 3.39Å; E39-Y157 WeakPolarHBondContact OE2-CE1 3.01Å; E39-Y157 VanDerWaalsContact OE2-CZ 3.32Å; E39-Y157 PolarHBondContact OE2-OH 2.84Å
40N98.6Very high98.6Very high25 Ų2551.9 Ų51.913%0.13425%0.245CC..THydrogen-bonded Turntrans-110.617.3-176.5-54.9-82.9000113F36 H38 Q42 L43 L44 V153 Y157F36-N40 VanDerWaalsContact O-CB 3.3Å; F36-N40 WeakPolarHBondContact O-CB 3.41Å; F36-N40 PolarHBondContact O-N 2.71Å; F36-N40 PolarHBondContact O-ND2 3.18Å; H38-N40 VanDerWaalsContact C-N 3.33Å; H38-N40 PolarHBondContact O-N 2.66Å; N40-Q42 VanDerWaalsContact C-N 3.35Å; N40-Q42 PolarHBondContact O-N 2.82Å; N40-L43 HydrophobicContact CB-CB 4.42Å; N40-L43 WeakPolarHBondContact O-CB 3.29Å; N40-L43 PolarHBondContact O-N 2.72Å; N40-L43 VanDerWaalsContact O-N 3.08Å; N40-L44 HydrophobicContact CB-CD1 4.49Å; N40-L44 HydrophobicContact CB-CG 4.43Å; N40-L44 WeakPolarHBondContact O-CG 3.49Å; N40-L44 PolarHBondContact O-N 3.06Å; N40-V153 WeakPolarHBondContact OD1-CG1 3.36Å; N40-Y157 WeakPolarHBondContact ND2-CE2 3.25Å; N40-Y157 PolarHBondContact ND2-OH 3.36Å
41K97.5Very high98.5Very high86 Ų8652.6 Ų52.637%0.37425%0.249SC..Hα-helixtrans-49.9-50.1-173.5-176174.1-175.6157.80113.7L37 L44 H45 E60L37-K41 PolarHBondContact O-N 2.75Å; K41-L44 PolarHBondContact O-N 2.65Å; K41-H45 PolarHBondContact O-N 3.36Å; K41-E60 WeakPolarHBondContact CE-OE2 3.31Å; K41-E60 IonicContact NZ-OE1 3.41Å; K41-E60 PolarHBondContact NZ-OE1 3.39Å; K41-E60 IonicContact NZ-OE2 3.87Å; K41-E60 PolarHBondContact NZ-OE2 3.32Å
42Q98.3Very high98.5Very high123 Ų12345.8 Ų45.858%0.57522%0.223SC*.Hα-helixtrans-64.7-44.3-179.6-171.761.149.500111.6N40 L44 H45 D46N40-Q42 VanDerWaalsContact C-N 3.35Å; N40-Q42 PolarHBondContact O-N 2.82Å; Q42-L44 VanDerWaalsContact C-N 3.26Å; Q42-L44 PolarHBondContact O-N 2.93Å; Q42-H45 PolarHBondContact O-N 2.98Å; Q42-H45 VanDerWaalsContact O-N 3.16Å; Q42-D46 PolarHBondContact NE2-OD1 2.94Å; Q42-D46 PolarHBondContact O-N 3.23Å
43L98.6Very high98.4Very high72 Ų7249.3 Ų49.338%0.37724%0.24SC..Hα-helixtrans-58.8-39.3177.3177.563.6000111.8N40 A47 V149 V153N40-L43 HydrophobicContact CB-CB 4.42Å; N40-L43 WeakPolarHBondContact O-CB 3.29Å; N40-L43 PolarHBondContact O-N 2.72Å; N40-L43 VanDerWaalsContact O-N 3.08Å; L43-A47 WeakPolarHBondContact O-CB 3.43Å; L43-A47 PolarHBondContact O-N 2.87Å; L43-V149 HydrophobicContact CD1-CG2 4.05Å; L43-V149 HydrophobicContact CD2-CG1 4.02Å; L43-V149 HydrophobicContact CD2-CG2 4.09Å; L43-V149 HydrophobicContact CG-CG1 4.25Å; L43-V149 HydrophobicContact CG-CG2 3.83Å; L43-V153 HydrophobicContact CD2-CG2 4.06Å
44L98.7Very high98.3Very high0 Ų049.5 Ų49.50%024%0.24CC..Hα-helixtrans-67.1-43.5176.8-66.4168.5000111.7F36 L37 N40 K41 Q42 A47 L48 L118 M146 V149F36-L44 HydrophobicContact CE1-CD1 4.45Å; F36-L44 HydrophobicContact CE1-CD2 4.18Å; F36-L44 HydrophobicContact CZ-CD2 3.8Å; L37-L44 HydrophobicContact CD2-CD1 3.91Å; N40-L44 HydrophobicContact CB-CD1 4.49Å; N40-L44 HydrophobicContact CB-CG 4.43Å; N40-L44 WeakPolarHBondContact O-CG 3.49Å; N40-L44 PolarHBondContact O-N 3.06Å; K41-L44 PolarHBondContact O-N 2.65Å; Q42-L44 VanDerWaalsContact C-N 3.26Å; Q42-L44 PolarHBondContact O-N 2.93Å; L44-A47 PolarHBondContact O-N 2.71Å; L44-L48 VanDerWaalsContact O-CG 3.3Å; L44-L48 WeakPolarHBondContact O-CG 3.13Å; L44-L48 PolarHBondContact O-N 3.39Å; L44-L48 VanDerWaalsContact O-N 3.09Å; L44-L118 HydrophobicContact CB-CD2 4.39Å; L44-L118 HydrophobicContact CD1-CD2 4.08Å; L44-L118 HydrophobicContact CD2-CD1 3.92Å; L44-L118 HydrophobicContact CD2-CD2 4.13Å; L44-L118 HydrophobicContact CG-CD2 4.44Å; L44-M146 HydrophobicContact CD2-CE 4.02Å; L44-M146 HydrophobicContact CD2-SD 3.91Å; L44-V149 HydrophobicContact CD2-CG1 3.84Å
45H98.4Very high98.2Very high18 Ų1849.8 Ų49.88%0.08324%0.241CC..Hα-helixtrans-62.5-44.2175.2-71.9-172.1000111.4K41 Q42 A47 L48 A49 E60K41-H45 PolarHBondContact O-N 3.36Å; Q42-H45 PolarHBondContact O-N 2.98Å; Q42-H45 VanDerWaalsContact O-N 3.16Å; H45-A47 VanDerWaalsContact C-N 3.35Å; H45-A47 PolarHBondContact O-N 2.95Å; H45-L48 PolarHBondContact O-N 3.06Å; H45-A49 WeakPolarHBondContact O-CB 3.33Å; H45-A49 PolarHBondContact O-N 3.01Å; H45-E60 IonicContact CE1-OE2 3.83Å; H45-E60 PolarHBondContact CE1-OE2 3.47Å; H45-E60 IonicContact NE2-OE2 2.78Å; H45-E60 PolarHBondContact NE2-OE2 3.4Å; H45-E60 VanDerWaalsContact NE2-OE2 3.12Å
46D98.6Very high98.1Very high68 Ų6847.4 Ų47.436%0.36425%0.245SC..Hα-helixtrans-63.1-41.3179.1-64.9-17.1000111.6Q42 A49 Q50Q42-D46 PolarHBondContact NE2-OD1 2.94Å; Q42-D46 PolarHBondContact O-N 3.23Å; D46-A49 PolarHBondContact O-N 2.76Å; D46-Q50 WeakPolarHBondContact O-CB 3.45Å; D46-Q50 VanDerWaalsContact O-CG 3.25Å; D46-Q50 WeakPolarHBondContact O-CG 3.34Å; D46-Q50 PolarHBondContact O-N 3.31Å
47A98.6Very high97.9Very high3 Ų354.4 Ų54.43%0.02528%0.275CS..Hα-helixtrans-63.4-43.1176.100000112.2L43 L44 H45 Q50 D51 M146 V149L43-A47 WeakPolarHBondContact O-CB 3.43Å; L43-A47 PolarHBondContact O-N 2.87Å; L44-A47 PolarHBondContact O-N 2.71Å; H45-A47 VanDerWaalsContact C-N 3.35Å; H45-A47 PolarHBondContact O-N 2.95Å; A47-Q50 PolarHBondContact O-N 3.06Å; A47-D51 PolarHBondContact O-N 3.05Å; A47-M146 HydrophobicContact CB-CE 3.85Å; A47-V149 HydrophobicContact CB-CG2 4.11Å
48L98.6Very high97.7Very high0 Ų054.8 Ų54.80%028%0.277CS..Hα-helixtrans-66-38.1176.1-70.3165.5000112.4L44 H45 L52 K54 E63 P117 M146L44-L48 VanDerWaalsContact O-CG 3.3Å; L44-L48 WeakPolarHBondContact O-CG 3.13Å; L44-L48 PolarHBondContact O-N 3.39Å; L44-L48 VanDerWaalsContact O-N 3.09Å; H45-L48 PolarHBondContact O-N 3.06Å; L48-L52 PolarHBondContact O-N 3.19Å; L48-K54 HydrophobicContact CB-CB 4.35Å; L48-E63 HydrophobicContact CD1-CB 4.05Å; L48-E63 HydrophobicContact CD1-CG 3.77Å; L48-E63 HydrophobicContact CD2-CG 4.18Å; L48-E63 WeakPolarHBondContact CD2-OE1 3.25Å; L48-P117 HydrophobicContact CD2-CG 3.8Å; L48-M146 HydrophobicContact CD1-CE 4.26Å; L48-M146 HydrophobicContact CD2-CE 3.88Å; L48-M146 HydrophobicContact CG-CE 3.6Å
49A98.2Very high97.7Very high39 Ų3947.5 Ų47.532%0.32224%0.243SC..Hα-helixtrans-64.5-41.2174.500000111.3H45 D46 H53H45-A49 WeakPolarHBondContact O-CB 3.33Å; H45-A49 PolarHBondContact O-N 3.01Å; D46-A49 PolarHBondContact O-N 2.76Å; A49-H53 WeakPolarHBondContact O-CA 3.4Å; A49-H53 PolarHBondContact O-CD2 3.22Å; A49-H53 PolarHBondContact O-N 3.36Å
50Q98.2Very high97.6Very high121 Ų12144.9 Ų44.957%0.56523%0.231SC*.Hα-helixtrans-66.6-42.6177.4-73169.725.900112.8D46 A47 S145D46-Q50 WeakPolarHBondContact O-CB 3.45Å; D46-Q50 VanDerWaalsContact O-CG 3.25Å; D46-Q50 WeakPolarHBondContact O-CG 3.34Å; D46-Q50 PolarHBondContact O-N 3.31Å; A47-Q50 PolarHBondContact O-N 3.06Å; Q50-S145 PolarHBondContact OE1-OG 3.27Å
51D98.3Very high97.4Very high16 Ų1647 Ų479%0.08624%0.242CC..Hα-helixtrans-78.2-41.1-176.6-72.1-33.9000112.3A47 S143 K144 S145 M146 I286A47-D51 PolarHBondContact O-N 3.05Å; D51-S143 WeakPolarHBondContact OD2-CA 3.3Å; D51-S143 WeakPolarHBondContact OD2-CB 3.45Å; D51-K144 PolarHBondContact OD1-N 3.38Å; D51-K144 VanDerWaalsContact OD1-N 3.12Å; D51-S145 PolarHBondContact OD1-N 2.89Å; D51-S145 PolarHBondContact OD2-N 3.2Å; D51-M146 PolarHBondContact OD2-N 2.9Å; D51-I286 HydrophobicContact CB-CD1 4.44Å; D51-I286 VanDerWaalsContact O-CD1 3.29Å; D51-I286 WeakPolarHBondContact O-CD1 3.28Å
52L98.1Very high97.3Very high0 Ų043.1 Ų43.10%023%0.226CC..Hα-helixtrans-124.5-2.9-167.4-70.3165.5000114.3L48 K54 W114 N115 G283 R284 I286L48-L52 PolarHBondContact O-N 3.19Å; L52-K54 HydrophobicContact CB-CB 4.17Å; L52-K54 PolarHBondContact O-N 2.84Å; L52-W114 HydrophobicContact CD2-CE3 4.38Å; L52-W114 HydrophobicContact CD2-CZ3 4.38Å; L52-N115 WeakPolarHBondContact CD1-O 3.49Å; L52-G283 WeakPolarHBondContact O-CA 3.41Å; L52-R284 PolarHBondContact O-N 3.11Å; L52-I286 HydrophobicContact CD2-CB 4.29Å; L52-I286 HydrophobicContact CD2-CD1 3.78Å; L52-I286 HydrophobicContact CD2-CG1 4.46Å; L52-I286 HydrophobicContact CG-CD1 4.28Å
53H97.5Very high97.3Very high75 Ų7537.3 Ų37.335%0.34720%0.199SC..  trans5231.9-166.1-73.1-150.4000111.9A49 S55 R284 D313A49-H53 WeakPolarHBondContact O-CA 3.4Å; A49-H53 PolarHBondContact O-CD2 3.22Å; A49-H53 PolarHBondContact O-N 3.36Å; H53-S55 PolarHBondContact O-N 2.99Å; H53-R284 HydrophobicContact CB-CB 4.18Å; H53-R284 HydrophobicContact CB-CG 3.74Å; H53-R284 VanDerWaalsContact CG-CG 3.48Å; H53-R284 VanDerWaalsContact ND1-CG 3.29Å; H53-R284 WeakPolarHBondContact ND1-CG 3.41Å; H53-D313 IonicContact CE1-OD1 2.68Å
54K96.6Very high97.2Very high4 Ų434.3 Ų34.32%0.01718%0.183CC..  trans-72130-179.6-167.2172.7-66.6-175.90109.1L48 L52 E58 S59 E63 N115 N239L48-K54 HydrophobicContact CB-CB 4.35Å; L52-K54 HydrophobicContact CB-CB 4.17Å; L52-K54 PolarHBondContact O-N 2.84Å; K54-E58 HydrophobicContact CD-CB 4.18Å; K54-E58 HydrophobicContact CG-CB 3.56Å; K54-S59 WeakPolarHBondContact CG-OG 3.2Å; K54-E63 HydrophobicContact CD-CG 4.42Å; K54-E63 IonicContact NZ-OE1 3.95Å; K54-E63 PolarHBondContact NZ-OE1 3.15Å; K54-N115 PolarHBondContact NZ-O 3.04Å; K54-N239 WeakPolarHBondContact CE-OD1 3.36Å
55S96.3Very high97.1Very high17 Ų1736.5 Ų36.512%0.11920%0.202CC..  trans-66.4160.9178.282.20000111.1H53 F57 E58 S59 P280H53-S55 PolarHBondContact O-N 2.99Å; S55-F57 PolarHBondContact O-N 3.48Å; S55-F57 PolarHBondContact OG-N 2.76Å; S55-E58 PolarHBondContact O-N 2.76Å; S55-E58 PolarHBondContact OG-N 3.4Å; S55-E58 VanDerWaalsContact OG-N 3.13Å; S55-S59 VanDerWaalsContact O-CB 3.28Å; S55-S59 WeakPolarHBondContact O-CB 3.27Å; S55-S59 PolarHBondContact O-N 3.08Å; S55-S59 PolarHBondContact O-OG 3.28Å; S55-P280 WeakPolarHBondContact CB-O 3.38Å
56A95.9Very high97Very high62 Ų6237.7 Ų37.751%0.51221%0.208SC..Hα-helixtrans-59.8-36.2175.800000111.9E60A56-E60 WeakPolarHBondContact O-CB 3.48Å; A56-E60 PolarHBondContact O-N 3.27Å
57F95.5Very high96.9Very high146 Ų14634.5 Ų34.564%0.6419%0.191SC*.Hα-helixtrans-65.7-49.1176.5-178.9-88000111.6S55 S59 E60 L61S55-F57 PolarHBondContact O-N 3.48Å; S55-F57 PolarHBondContact OG-N 2.76Å; F57-S59 VanDerWaalsContact C-N 3.32Å; F57-S59 PolarHBondContact O-N 3.38Å; F57-E60 PolarHBondContact O-N 2.85Å; F57-L61 HydrophobicContact CE1-CD2 4.01Å; F57-L61 HydrophobicContact CZ-CD2 4.47Å; F57-L61 WeakPolarHBondContact O-CB 3.42Å; F57-L61 PolarHBondContact O-N 3.03Å
58E95.4Very high96.9Very high10 Ų1037.6 Ų37.65%0.04721%0.205CC..Hα-helixtrans-63.9-39.8178.1-69.4-161.1152.200111.8K54 S55 L61 S62 F238K54-E58 HydrophobicContact CD-CB 4.18Å; K54-E58 HydrophobicContact CG-CB 3.56Å; S55-E58 PolarHBondContact O-N 2.76Å; S55-E58 PolarHBondContact OG-N 3.4Å; S55-E58 VanDerWaalsContact OG-N 3.13Å; E58-L61 PolarHBondContact O-N 3Å; E58-S62 WeakPolarHBondContact O-CB 3.48Å; E58-S62 PolarHBondContact O-N 3.33Å; E58-S62 PolarHBondContact O-OG 3.44Å; E58-F238 HydrophobicContact CB-CE2 4.01Å; E58-F238 HydrophobicContact CB-CZ 3.83Å; E58-F238 HydrophobicContact CG-CD2 4.18Å; E58-F238 HydrophobicContact CG-CE2 3.53Å; E58-F238 HydrophobicContact CG-CZ 3.89Å; E58-F238 VanDerWaalsContact OE1-CD2 3.31Å; E58-F238 WeakPolarHBondContact OE1-CD2 3.49Å
59S97.3Very high96.9Very high0 Ų039.4 Ų39.40%022%0.224CC..Hα-helixtrans-61.2-45.5176.2-63.30000111.3K54 S55 F57 E63 V64K54-S59 WeakPolarHBondContact CG-OG 3.2Å; S55-S59 VanDerWaalsContact O-CB 3.28Å; S55-S59 WeakPolarHBondContact O-CB 3.27Å; S55-S59 PolarHBondContact O-N 3.08Å; S55-S59 PolarHBondContact O-OG 3.28Å; F57-S59 VanDerWaalsContact C-N 3.32Å; F57-S59 PolarHBondContact O-N 3.38Å; S59-E63 WeakPolarHBondContact O-CB 3.43Å; S59-E63 PolarHBondContact O-N 2.73Å; S59-E63 VanDerWaalsContact O-N 3.09Å; S59-V64 PolarHBondContact O-N 2.98Å
60E96.7Very high96.9Very high57 Ų5738.1 Ų38.127%0.26621%0.211SC..Iπ-helixtrans-62.9-50.4177.1-169.669.6176.800111.6K41 H45 A56 F57 V64 A65K41-E60 WeakPolarHBondContact CE-OE2 3.31Å; K41-E60 IonicContact NZ-OE1 3.41Å; K41-E60 PolarHBondContact NZ-OE1 3.39Å; K41-E60 IonicContact NZ-OE2 3.87Å; K41-E60 PolarHBondContact NZ-OE2 3.32Å; H45-E60 IonicContact CE1-OE2 3.83Å; H45-E60 PolarHBondContact CE1-OE2 3.47Å; H45-E60 IonicContact NE2-OE2 2.78Å; H45-E60 PolarHBondContact NE2-OE2 3.4Å; H45-E60 VanDerWaalsContact NE2-OE2 3.12Å; A56-E60 WeakPolarHBondContact O-CB 3.48Å; A56-E60 PolarHBondContact O-N 3.27Å; F57-E60 PolarHBondContact O-N 2.85Å; E60-V64 PolarHBondContact O-N 2.87Å; E60-A65 WeakPolarHBondContact O-CB 3.29Å; E60-A65 PolarHBondContact O-N 3.48Å
61L95.1Very high96.9Very high70 Ų7032.4 Ų32.437%0.36618%0.184SC..Iπ-helixtrans-67-42.8-173.2-179.362.4000112.6F57 E58 W234 F238F57-L61 HydrophobicContact CE1-CD2 4.01Å; F57-L61 HydrophobicContact CZ-CD2 4.47Å; F57-L61 WeakPolarHBondContact O-CB 3.42Å; F57-L61 PolarHBondContact O-N 3.03Å; E58-L61 PolarHBondContact O-N 3Å; L61-W234 HydrophobicContact CD2-CZ2 4.2Å; L61-F238 HydrophobicContact CD2-CE2 4.49Å
62S94.8Very high96.9Very high5 Ų535 Ų354%0.03520%0.201CC..Iπ-helixtrans-99.6-13.3-170.267.30000115.2E58 Y116 N119E58-S62 WeakPolarHBondContact O-CB 3.48Å; E58-S62 PolarHBondContact O-N 3.33Å; E58-S62 PolarHBondContact O-OG 3.44Å; S62-Y116 WeakPolarHBondContact OG-CE1 3.49Å; S62-N119 WeakPolarHBondContact O-CB 3.46Å
63E97.6Very high97Very high0 Ų036.6 Ų36.60%021%0.209CC..Iπ-helixtrans-121.5-61.9-174.4-52.2-92-162.600111.5L48 K54 S59 S67 Y116 P117 L118 N119L48-E63 HydrophobicContact CD1-CB 4.05Å; L48-E63 HydrophobicContact CD1-CG 3.77Å; L48-E63 HydrophobicContact CD2-CG 4.18Å; L48-E63 WeakPolarHBondContact CD2-OE1 3.25Å; K54-E63 HydrophobicContact CD-CG 4.42Å; K54-E63 IonicContact NZ-OE1 3.95Å; K54-E63 PolarHBondContact NZ-OE1 3.15Å; S59-E63 WeakPolarHBondContact O-CB 3.43Å; S59-E63 PolarHBondContact O-N 2.73Å; S59-E63 VanDerWaalsContact O-N 3.09Å; E63-S67 WeakPolarHBondContact O-CB 3.38Å; E63-S67 PolarHBondContact O-N 3.15Å; E63-S67 PolarHBondContact O-OG 3.1Å; E63-Y116 HydrophobicContact CG-CD1 4.49Å; E63-Y116 WeakPolarHBondContact OE1-CA 3.47Å; E63-Y116 VanDerWaalsContact OE2-C 3.25Å; E63-P117 WeakPolarHBondContact OE1-CD 3.29Å; E63-L118 HydrophobicContact CB-CB 4.17Å; E63-L118 HydrophobicContact CB-CD2 4.09Å; E63-L118 PolarHBondContact OE2-N 2.97Å; E63-N119 WeakPolarHBondContact OE2-CB 3.21Å; E63-N119 PolarHBondContact OE2-N 2.96Å
64V97.8Very high97Very high9 Ų933 Ų336%0.05519%0.193CC..Iπ-helixtrans-77.5-51.8-168.9-179.60000111.8S59 E60 I66 S67 Q68 L118S59-V64 PolarHBondContact O-N 2.98Å; E60-V64 PolarHBondContact O-N 2.87Å; V64-I66 PolarHBondContact O-N 3.44Å; V64-S67 PolarHBondContact O-N 2.98Å; V64-Q68 WeakPolarHBondContact O-CB 3.47Å; V64-Q68 PolarHBondContact O-N 3.39Å; V64-L118 HydrophobicContact CG2-CD2 4.03Å
65A96.4Very high97.1Very high47 Ų4735.6 Ų35.639%0.38821%0.206SC..Hα-helixtrans-65.1-41.1-173.800000112.3E60 Q68 G69E60-A65 WeakPolarHBondContact O-CB 3.29Å; E60-A65 PolarHBondContact O-N 3.48Å; A65-Q68 PolarHBondContact O-N 3.48Å; A65-G69 PolarHBondContact O-N 2.71Å
66I95.3Very high97.3Very high43 Ų4343.7 Ų43.722%0.22123%0.234CC..Hα-helixtrans-62.2-49.9176.2-64.7176.2000110.1V64 Q68 G69 E70 V123V64-I66 PolarHBondContact O-N 3.44Å; I66-Q68 VanDerWaalsContact C-N 3.33Å; I66-Q68 PolarHBondContact O-N 3.3Å; I66-G69 PolarHBondContact O-N 2.97Å; I66-G69 VanDerWaalsContact O-N 3.13Å; I66-E70 PolarHBondContact O-N 2.91Å; I66-V123 HydrophobicContact CG2-CG2 4.28Å
67S97.7Very high97.4Very high0 Ų042.9 Ų42.90%022%0.222CC..Hα-helixtrans-59.8-42.9178.6-58.40000112.1E63 V64 G69 E70 I71E63-S67 WeakPolarHBondContact O-CB 3.38Å; E63-S67 PolarHBondContact O-N 3.15Å; E63-S67 PolarHBondContact O-OG 3.1Å; V64-S67 PolarHBondContact O-N 2.98Å; S67-G69 VanDerWaalsContact C-N 3.35Å; S67-E70 PolarHBondContact O-N 3.31Å; S67-I71 WeakPolarHBondContact O-CD1 3.25Å; S67-I71 VanDerWaalsContact O-CG1 3.3Å; S67-I71 WeakPolarHBondContact O-CG1 3.27Å; S67-I71 PolarHBondContact O-N 3.29Å
68Q98.3Very high97.5Very high68 Ų6836.2 Ų36.232%0.31819%0.193SC..Hα-helixtrans-65.4-37.9176.4-175.958.252.900112.2L37 V64 A65 I66 I71 T72L37-Q68 HydrophobicContact CD1-CB 4.13Å; V64-Q68 WeakPolarHBondContact O-CB 3.47Å; V64-Q68 PolarHBondContact O-N 3.39Å; A65-Q68 PolarHBondContact O-N 3.48Å; I66-Q68 VanDerWaalsContact C-N 3.33Å; I66-Q68 PolarHBondContact O-N 3.3Å; Q68-I71 PolarHBondContact O-N 3.42Å; Q68-T72 PolarHBondContact NE2-OG1 2.95Å; Q68-T72 WeakPolarHBondContact O-CB 3.19Å; Q68-T72 PolarHBondContact O-N 3.4Å; Q68-T72 PolarHBondContact O-OG1 2.49Å
69G97.9Very high97.7Very high38 Ų3843.6 Ų43.639%0.39222%0.22SC..Hα-helixtrans-59.5-47.3173.900000111.9A65 I66 S67 T72 L73A65-G69 PolarHBondContact O-N 2.71Å; I66-G69 PolarHBondContact O-N 2.97Å; I66-G69 VanDerWaalsContact O-N 3.13Å; S67-G69 VanDerWaalsContact C-N 3.35Å; G69-T72 PolarHBondContact O-N 2.85Å; G69-L73 WeakPolarHBondContact O-CB 3.28Å; G69-L73 PolarHBondContact O-N 2.93Å
70E98.4Very high97.7Very high12 Ų1246.4 Ų46.46%0.05624%0.244CC..Hα-helixtrans-61.6-45.3177.4-76.8-73123.400112.3I66 S67 T72 L73 A74 V123 V126 A398 G415I66-E70 PolarHBondContact O-N 2.91Å; S67-E70 PolarHBondContact O-N 3.31Å; E70-T72 VanDerWaalsContact C-N 3.33Å; E70-T72 PolarHBondContact O-N 3.34Å; E70-L73 PolarHBondContact O-N 2.93Å; E70-A74 WeakPolarHBondContact O-CB 3.42Å; E70-A74 PolarHBondContact O-N 3.37Å; E70-V123 HydrophobicContact CB-CG2 4.43Å; E70-V123 HydrophobicContact CG-CB 4.46Å; E70-V123 HydrophobicContact CG-CG1 3.86Å; E70-V123 HydrophobicContact CG-CG2 3.93Å; E70-V126 HydrophobicContact CB-CG1 4.35Å; E70-A398 VanDerWaalsContact OE1-CB 3.24Å; E70-A398 WeakPolarHBondContact OE1-CB 3.27Å; E70-G415 PolarHBondContact OE1-N 3.45Å; E70-G415 VanDerWaalsContact OE1-N 3.11Å; E70-G415 PolarHBondContact OE2-N 3.46Å
71I98.8Very high97.8Very high1 Ų145 Ų451%0.00524%0.236CC..Hα-helixtrans-58.4-47.3175-68159.7000110.7L30 L33 L37 S67 Q68 A74 L75 V126L30-I71 VanDerWaalsContact O-CG2 3.27Å; L30-I71 WeakPolarHBondContact O-CG2 3.48Å; L33-I71 HydrophobicContact CB-CD1 3.61Å; L33-I71 HydrophobicContact CB-CG1 4.09Å; L33-I71 HydrophobicContact CD1-CG1 4.49Å; L37-I71 HydrophobicContact CD1-CD1 3.59Å; S67-I71 WeakPolarHBondContact O-CD1 3.25Å; S67-I71 VanDerWaalsContact O-CG1 3.3Å; S67-I71 WeakPolarHBondContact O-CG1 3.27Å; S67-I71 PolarHBondContact O-N 3.29Å; Q68-I71 PolarHBondContact O-N 3.42Å; I71-A74 PolarHBondContact O-N 3.03Å; I71-L75 HydrophobicContact CG2-CD1 3.88Å; I71-L75 HydrophobicContact CG2-CG 4.49Å; I71-L75 WeakPolarHBondContact O-CB 3.42Å; I71-L75 WeakPolarHBondContact O-CG 3.28Å; I71-L75 PolarHBondContact O-N 3.38Å; I71-V126 HydrophobicContact CD1-CG2 4.44Å; I71-V126 HydrophobicContact CG1-CG2 3.47Å; I71-V126 VanDerWaalsContact CG1-CG2 3.47Å
72T98.6Very high98Very high72 Ų7243.9 Ų43.944%0.44223%0.229SC..Hα-helixtrans-64.4-43.5-178.5-55.70000111Q68 G69 E70 L75 R76Q68-T72 PolarHBondContact NE2-OG1 2.95Å; Q68-T72 WeakPolarHBondContact O-CB 3.19Å; Q68-T72 PolarHBondContact O-N 3.4Å; Q68-T72 PolarHBondContact O-OG1 2.49Å; G69-T72 PolarHBondContact O-N 2.85Å; E70-T72 VanDerWaalsContact C-N 3.33Å; E70-T72 PolarHBondContact O-N 3.34Å; T72-L75 PolarHBondContact O-N 2.83Å; T72-R76 WeakPolarHBondContact O-CB 3.36Å; T72-R76 PolarHBondContact O-N 2.88Å
73L98.7Very high98.1Very high32 Ų3250.6 Ų50.617%0.16826%0.258CS..Hα-helixtrans-62.8-45.5177.9-178.566.8000111.5G69 E70 R76 N77 W81 A398G69-L73 WeakPolarHBondContact O-CB 3.28Å; G69-L73 PolarHBondContact O-N 2.93Å; E70-L73 PolarHBondContact O-N 2.93Å; L73-R76 VanDerWaalsContact CD1-NH2 3.34Å; L73-R76 PolarHBondContact O-N 3.08Å; L73-N77 VanDerWaalsContact CD1-ND2 3.29Å; L73-N77 WeakPolarHBondContact CD1-ND2 3.34Å; L73-N77 PolarHBondContact O-N 2.83Å; L73-N77 VanDerWaalsContact O-N 3.13Å; L73-N77 PolarHBondContact O-ND2 3Å; L73-W81 HydrophobicContact CG-CH2 4.2Å; L73-W81 HydrophobicContact CG-CZ2 4.21Å; L73-A398 HydrophobicContact CD2-CB 3.45Å; L73-A398 VanDerWaalsContact CD2-CB 3.45Å
74A98.8Very high98.2Very high1 Ų153.3 Ų53.31%0.00827%0.272CS..Hα-helixtrans-62.5-48.9177.100000111.2L30 E70 I71 R76 N77 L78 W81 V126 A130L30-A74 HydrophobicContact CD1-CB 3.9Å; L30-A74 HydrophobicContact CD2-CB 4.47Å; E70-A74 WeakPolarHBondContact O-CB 3.42Å; E70-A74 PolarHBondContact O-N 3.37Å; I71-A74 PolarHBondContact O-N 3.03Å; A74-R76 VanDerWaalsContact C-N 3.31Å; A74-R76 PolarHBondContact O-N 3.16Å; A74-N77 PolarHBondContact O-N 3.27Å; A74-L78 WeakPolarHBondContact O-CA 3.43Å; A74-L78 VanDerWaalsContact O-CB 3.25Å; A74-L78 WeakPolarHBondContact O-CB 3.4Å; A74-L78 PolarHBondContact O-N 3.31Å; A74-W81 HydrophobicContact CB-CH2 4.2Å; A74-W81 HydrophobicContact CB-CZ3 3.8Å; A74-V126 HydrophobicContact CB-CG1 3.73Å; A74-A130 HydrophobicContact CB-CB 4.42Å
75L98.8Very high98.2Very high57 Ų5757.4 Ų57.430%0.29829%0.291SS..Hα-helixtrans-57.2-43.4177.1-78.5169.9000112.6A27 L30 R31 I71 T72 N77A27-L75 HydrophobicContact CB-CD2 4.03Å; L30-L75 HydrophobicContact CB-CD1 4.46Å; L30-L75 HydrophobicContact CB-CD2 3.73Å; L30-L75 HydrophobicContact CB-CG 3.9Å; L30-L75 HydrophobicContact CD1-CD2 4.15Å; L30-L75 HydrophobicContact CD1-CG 4.27Å; R31-L75 HydrophobicContact CG-CD1 3.99Å; R31-L75 HydrophobicContact CG-CD2 4.03Å; I71-L75 HydrophobicContact CG2-CD1 3.88Å; I71-L75 HydrophobicContact CG2-CG 4.49Å; I71-L75 WeakPolarHBondContact O-CB 3.42Å; I71-L75 WeakPolarHBondContact O-CG 3.28Å; I71-L75 PolarHBondContact O-N 3.38Å; T72-L75 PolarHBondContact O-N 2.83Å; L75-N77 VanDerWaalsContact C-N 3.32Å; L75-N77 PolarHBondContact O-N 2.98Å
76R98.7Very high98.2Very high187 Ų18761.4 Ų61.471%0.70630%0.301SS*.Hα-helixtrans-64.2-36.5180-175.9173.965.8-173.40112.4T72 L73 A74T72-R76 WeakPolarHBondContact O-CB 3.36Å; T72-R76 PolarHBondContact O-N 2.88Å; L73-R76 VanDerWaalsContact CD1-NH2 3.34Å; L73-R76 PolarHBondContact O-N 3.08Å; A74-R76 VanDerWaalsContact C-N 3.31Å; A74-R76 PolarHBondContact O-N 3.16Å
77N98.7Very high98.2Very high46 Ų4661.6 Ų61.625%0.24630%0.304CS..Hα-helixtrans-109.5-4.5-170.8-65-74.1000115L73 A74 L75 R79 A80 W81L73-N77 VanDerWaalsContact CD1-ND2 3.29Å; L73-N77 WeakPolarHBondContact CD1-ND2 3.34Å; L73-N77 PolarHBondContact O-N 2.83Å; L73-N77 VanDerWaalsContact O-N 3.13Å; L73-N77 PolarHBondContact O-ND2 3Å; A74-N77 PolarHBondContact O-N 3.27Å; L75-N77 VanDerWaalsContact C-N 3.32Å; L75-N77 PolarHBondContact O-N 2.98Å; N77-R79 VanDerWaalsContact C-N 3.34Å; N77-R79 PolarHBondContact O-N 3.26Å; N77-A80 WeakPolarHBondContact O-CA 3.42Å; N77-A80 WeakPolarHBondContact O-CB 3.29Å; N77-A80 PolarHBondContact O-N 3.29Å; N77-W81 HydrophobicContact CB-CD2 3.9Å; N77-W81 HydrophobicContact CB-CG 4.21Å; N77-W81 HydrophobicContact CB-CH2 4.46Å; N77-W81 HydrophobicContact CB-CZ2 3.66Å; N77-W81 VanDerWaalsContact CB-NE1 3.26Å; N77-W81 PolarHBondContact O-N 2.95Å
78L98.7Very high98Very high6 Ų666.5 Ų66.53%0.03134%0.336CS..Hα-helixtrans-47.8-52-171.3179.363.1000113R26 A27 A74 A80 W81 M82 A130R26-L78 HydrophobicContact CB-CD1 4.43Å; R26-L78 HydrophobicContact CB-CD2 3.96Å; A27-L78 HydrophobicContact CB-CD2 3.99Å; A74-L78 WeakPolarHBondContact O-CA 3.43Å; A74-L78 VanDerWaalsContact O-CB 3.25Å; A74-L78 WeakPolarHBondContact O-CB 3.4Å; A74-L78 PolarHBondContact O-N 3.31Å; L78-A80 VanDerWaalsContact C-N 3.26Å; L78-A80 PolarHBondContact O-N 3.02Å; L78-W81 PolarHBondContact O-N 3.44Å; L78-M82 HydrophobicContact CD1-CG 4.3Å; L78-M82 HydrophobicContact CD1-SD 3.89Å; L78-M82 HydrophobicContact CG-SD 3.84Å; L78-M82 VanDerWaalsContact O-CG 3.24Å; L78-M82 WeakPolarHBondContact O-CG 3.43Å; L78-M82 PolarHBondContact O-N 3.16Å; L78-A130 HydrophobicContact CD1-CB 4.08Å; L78-A130 WeakPolarHBondContact CD1-O 3.36Å
79R98.4Very high97.7Very high164 Ų16466.9 Ų66.962%0.61934%0.337SS*.Hα-helixtrans-63.4-32.3179.8-69.8-173.8-177.9-102.5-8.7112.5A23 E24 N77 K83A23-R79 HydrophobicContact CB-CG 4.4Å; E24-R79 IonicContact OE1-CZ 2.76Å; E24-R79 IonicContact OE1-NH1 3.8Å; E24-R79 IonicContact OE1-NH2 3.32Å; E24-R79 PolarHBondContact OE1-NH2 3.34Å; N77-R79 VanDerWaalsContact C-N 3.34Å; N77-R79 PolarHBondContact O-N 3.26Å; R79-K83 WeakPolarHBondContact O-CG 3.42Å
80A98.5Very high97.4Very high60 Ų6067.1 Ų67.150%0.49633%0.329SS..Hα-helixtrans-72.8-43.117700000111N77 L78 M82 K83N77-A80 WeakPolarHBondContact O-CA 3.42Å; N77-A80 WeakPolarHBondContact O-CB 3.29Å; N77-A80 PolarHBondContact O-N 3.29Å; L78-A80 VanDerWaalsContact C-N 3.26Å; L78-A80 PolarHBondContact O-N 3.02Å; A80-M82 VanDerWaalsContact C-N 3.3Å; A80-M82 PolarHBondContact O-N 3.35Å; A80-K83 PolarHBondContact O-N 2.98Å
81W98.6Very high96.9Very high26 Ų2670 Ų7010%0.09834%0.344CS..Hα-helixtrans-63.7-35178.4-62-9.9000112.7L73 A74 N77 L78 K83 K416 F419L73-W81 HydrophobicContact CG-CH2 4.2Å; L73-W81 HydrophobicContact CG-CZ2 4.21Å; A74-W81 HydrophobicContact CB-CH2 4.2Å; A74-W81 HydrophobicContact CB-CZ3 3.8Å; N77-W81 HydrophobicContact CB-CD2 3.9Å; N77-W81 HydrophobicContact CB-CG 4.21Å; N77-W81 HydrophobicContact CB-CH2 4.46Å; N77-W81 HydrophobicContact CB-CZ2 3.66Å; N77-W81 VanDerWaalsContact CB-NE1 3.26Å; N77-W81 PolarHBondContact O-N 2.95Å; L78-W81 PolarHBondContact O-N 3.44Å; W81-K83 VanDerWaalsContact C-N 3.29Å; W81-K83 PolarHBondContact O-N 3.45Å; W81-K416 HydrophobicContact CB-CD 4.33Å; W81-K416 VanDerWaalsContact CD1-CD 3.47Å; W81-K416 HydrophobicContact CD2-CD 3.99Å; W81-K416 HydrophobicContact CG-CD 3.7Å; W81-K416 HydrophobicContact CZ2-CB 4.11Å; W81-F419 HydrophobicContact CB-CD1 3.89Å; W81-F419 HydrophobicContact CB-CD2 4.09Å; W81-F419 HydrophobicContact CB-CE1 3.87Å; W81-F419 HydrophobicContact CB-CE2 4.05Å; W81-F419 HydrophobicContact CB-CG 4.01Å; W81-F419 HydrophobicContact CB-CZ 3.96Å; W81-F419 HydrophobicContact CD2-CB 4.39Å; W81-F419 HydrophobicContact CD2-CG 4.44Å; W81-F419 HydrophobicContact CE3-CB 3.72Å; W81-F419 HydrophobicContact CE3-CD2 4.02Å; W81-F419 AromaticContact CE3-CG 3.94Å; W81-F419 HydrophobicContact CE3-CG 3.94Å; W81-F419 HydrophobicContact CZ3-CB 4.13Å; W81-F419 VanDerWaalsContact O-CE1 3.27Å; W81-F419 WeakPolarHBondContact O-CE1 3.33Å; W81-F419 WeakPolarHBondContact O-CZ 3.26Å
82M98.4Very high96.4Very high47 Ų4772.2 Ų72.223%0.23236%0.363CS..THydrogen-bonded Turntrans-72.7-13.2177.5-68.7172.168.400114.8A23 L78 A80 F419A23-M82 HydrophobicContact CB-CE 3.98Å; A23-M82 HydrophobicContact CB-SD 3.81Å; L78-M82 HydrophobicContact CD1-CG 4.3Å; L78-M82 HydrophobicContact CD1-SD 3.89Å; L78-M82 HydrophobicContact CG-SD 3.84Å; L78-M82 VanDerWaalsContact O-CG 3.24Å; L78-M82 WeakPolarHBondContact O-CG 3.43Å; L78-M82 PolarHBondContact O-N 3.16Å; A80-M82 VanDerWaalsContact C-N 3.3Å; A80-M82 PolarHBondContact O-N 3.35Å; M82-F419 HydrophobicContact CG-CE2 4.08Å; M82-F419 HydrophobicContact CG-CZ 4.17Å
83K98.1Very high96.1Very high146 Ų14670.3 Ų70.364%0.63535%0.352SS*.SBendtrans-68.4141.2-176.5-78.2174.5-177.1-176.10111.6R79 A80 W81 E85 K102R79-K83 WeakPolarHBondContact O-CG 3.42Å; A80-K83 PolarHBondContact O-N 2.98Å; W81-K83 VanDerWaalsContact C-N 3.29Å; W81-K83 PolarHBondContact O-N 3.45Å; K83-E85 PolarHBondContact O-N 3.39Å; K83-K102 WeakPolarHBondContact O-CD 3.14Å; K83-K102 PolarHBondContact O-NZ 3.23Å
84D98.1Very high95.6Very high57 Ų5773.7 Ų73.731%0.30537%0.366SS..  trans-56136.5164.8-70.9-18.9000109.1F99 I100 R101D84-F99 HydrophobicContact CB-CB 4.42Å; D84-F99 HydrophobicContact CB-CD2 3.71Å; D84-F99 HydrophobicContact CB-CE2 4.32Å; D84-F99 HydrophobicContact CB-CG 4.29Å; D84-F99 WeakPolarHBondContact OD2-CE2 3.41Å; D84-I100 WeakPolarHBondContact CA-O 3.43Å; D84-R101 WeakPolarHBondContact OD1-CA 3.42Å; D84-R101 VanDerWaalsContact OD1-CB 3.28Å; D84-R101 WeakPolarHBondContact OD1-CB 3.32Å; D84-R101 WeakPolarHBondContact OD1-CG 3.35Å; D84-R101 IonicContact OD1-CZ 3.88Å; D84-R101 IonicContact OD1-NE 2.85Å; D84-R101 PolarHBondContact OD1-NE 3.23Å; D84-R101 IonicContact OD1-NH2 2.71Å; D84-R101 IonicContact OD2-CZ 2.6Å; D84-R101 IonicContact OD2-NE 3.4Å; D84-R101 PolarHBondContact OD2-NE 2.91Å; D84-R101 IonicContact OD2-NH2 2.84Å; D84-R101 PolarHBondContact OD2-NH2 2.96Å
85E97.8Very high95.2Very high96 Ų9678 Ų7845%0.44939%0.389SS..EExtended strand (participates in β ladder)trans-108.6112.9179.8169.7-177.5170.200109.7K83 F99 I100 K102K83-E85 PolarHBondContact O-N 3.39Å; E85-F99 CarbonylContact O-C 3.42Å; E85-F99 WeakPolarHBondContact O-CA 3.36Å; E85-F99 WeakPolarHBondContact O-CB 3.46Å; E85-I100 HydrophobicContact CB-CB 4.48Å; E85-I100 PolarHBondContact N-O 3.3Å; E85-I100 PolarHBondContact O-N 3.17Å; E85-K102 IonicContact OE2-NZ 3.84Å; E85-K102 PolarHBondContact OE2-NZ 3.28Å; E85-K102 VanDerWaalsContact OE2-NZ 3.07Å
86H96.3Very high94.8Very high131 Ų13176 Ų7661%0.60638%0.378SS*.EExtended strand (participates in β ladder)trans-72.1134.4177.4-76.9-76.3000110.9A98H86-A98 PolarHBondContact ND1-O 3.37Å
87V95.1Very high94.6Very high47 Ų4769.1 Ų69.129%0.28536%0.359SS..  trans-108.4154.3-176-63.10000111.6A98 I100V87-A98 HydrophobicContact CG2-CB 3.68Å; V87-A98 PolarHBondContact N-O 2.93Å; V87-I100 HydrophobicContact CG1-CD1 3.67Å; V87-I100 HydrophobicContact CG1-CG1 3.81Å
88P93.7Very high94.5Very high103 Ų10367.5 Ų67.567%0.66935%0.352SS*.  trans-54.9145.9168.6-24.734.9000111.9
89K92.4Very high94.5Very high76 Ų7668 Ų6833%0.3335%0.354SS..  trans-121.4155.4-177.5-65.2176.1-67.6171.10110.2T93 Q94 D96 A98K89-T93 WeakPolarHBondContact CD-O 3.39Å; K89-Q94 PolarHBondContact NZ-O 2.62Å; K89-D96 VanDerWaalsContact CD-O 3.32Å; K89-D96 WeakPolarHBondContact CD-O 3.35Å; K89-D96 PolarHBondContact NZ-O 2.8Å; K89-A98 HydrophobicContact CD-CB 3.95Å; K89-A98 HydrophobicContact CG-CB 3.78Å
90N91.4Very high94.5Very high42 Ų4262 Ų6223%0.22533%0.334CS..  trans-91.8173.4167.663.119.1000110.7A92 T93 Q94 M458N90-A92 PolarHBondContact O-N 2.82Å; N90-A92 PolarHBondContact OD1-N 3.25Å; N90-T93 PolarHBondContact N-OG1 2.71Å; N90-T93 CarbonylContact O-C 3.52Å; N90-T93 PolarHBondContact O-N 3.32Å; N90-T93 PolarHBondContact O-OG1 2.97Å; N90-T93 PolarHBondContact OD1-N 2.94Å; N90-T93 VanDerWaalsContact OD1-N 3.1Å; N90-T93 PolarHBondContact OD1-OG1 2.95Å; N90-Q94 PolarHBondContact O-N 3.48Å; N90-M458 PolarHBondContact ND2-O 2.97Å
91L89.3Confident94.5Very high72 Ų7264 Ų6438%0.37733%0.329SS..G310 helixtrans-59.8-34.6-179.6-73.1-179.3000112.7T93 Q94 A457L91-T93 PolarHBondContact O-N 3.15Å; L91-Q94 PolarHBondContact O-N 3.28Å; L91-A457 HydrophobicContact CB-CB 4.32Å; L91-A457 PolarHBondContact N-O 3.21Å
92A88Confident94.5Very high49 Ų4963.9 Ų63.941%0.40533%0.329SS..G310 helixtrans-63.3-25178.300000113.3N90 A457 M458N90-A92 PolarHBondContact O-N 2.82Å; N90-A92 PolarHBondContact OD1-N 3.25Å; A92-A457 HydrophobicContact CB-CB 4.09Å; A92-A457 PolarHBondContact N-O 3.08Å; A92-M458 HydrophobicContact CB-CG 4.46Å
93T90.8Very high94.5Very high32 Ų3264 Ų6420%0.19633%0.329CS..G310 helixtrans-1167.2-17852.60000112.9K89 N90 L91 L95 D96 L429K89-T93 WeakPolarHBondContact CD-O 3.39Å; N90-T93 PolarHBondContact N-OG1 2.71Å; N90-T93 CarbonylContact O-C 3.52Å; N90-T93 PolarHBondContact O-N 3.32Å; N90-T93 PolarHBondContact O-OG1 2.97Å; N90-T93 PolarHBondContact OD1-N 2.94Å; N90-T93 VanDerWaalsContact OD1-N 3.1Å; N90-T93 PolarHBondContact OD1-OG1 2.95Å; L91-T93 PolarHBondContact O-N 3.15Å; T93-L95 PolarHBondContact O-N 3.2Å; T93-D96 VanDerWaalsContact O-CB 3.32Å; T93-D96 WeakPolarHBondContact O-CB 3.45Å; T93-D96 PolarHBondContact O-N 3.49Å; T93-L429 HydrophobicContact CG2-CD1 4.26Å; T93-L429 HydrophobicContact CG2-CD2 4.12Å
94Q89.6Confident94.5Very high102 Ų10258.1 Ų58.148%0.47731%0.306SS..THydrogen-bonded Turntrans-58.6-31-167.7-173.366.9-23.600114.2K89 N90 L91K89-Q94 PolarHBondContact NZ-O 2.62Å; N90-Q94 PolarHBondContact O-N 3.48Å; L91-Q94 PolarHBondContact O-N 3.28Å
95L89.4Confident94.5Very high91 Ų9158.2 Ų58.248%0.47630%0.304SS..THydrogen-bonded Turntrans-91.4-6.6-179.3-58.9175.7000113.7T93 R432 M435T93-L95 PolarHBondContact O-N 3.2Å; L95-R432 PolarHBondContact O-NE 3.36Å; L95-M435 HydrophobicContact CD1-CE 3.18Å; L95-M435 HydrophobicContact CD1-SD 3.49Å; L95-M435 WeakPolarHBondContact CD1-SD 3.35Å
96D91.6Very high94.6Very high16 Ų1653.7 Ų53.79%0.08628%0.282CS..SBendtrans-87.1161.3178.2-57.5-35000110.5K89 T93 L429 R431K89-D96 VanDerWaalsContact CD-O 3.32Å; K89-D96 WeakPolarHBondContact CD-O 3.35Å; K89-D96 PolarHBondContact NZ-O 2.8Å; T93-D96 VanDerWaalsContact O-CB 3.32Å; T93-D96 WeakPolarHBondContact O-CB 3.45Å; T93-D96 PolarHBondContact O-N 3.49Å; D96-L429 HydrophobicContact CB-CD1 3.62Å; D96-L429 HydrophobicContact CB-CG 4.34Å; D96-R431 HydrophobicContact CB-CG 4.45Å; D96-R431 WeakPolarHBondContact OD1-CA 3.43Å; D96-R431 IonicContact OD1-NE 4Å; D96-R431 IonicContact OD2-NE 2.71Å; D96-R431 PolarHBondContact OD2-NE 2.76Å
97S94.3Very high94.7Very high43 Ų4347.5 Ų47.530%0.30125%0.254SS..EExtended strand (participates in β ladder)trans-95.7117.1169-173.70000109.1L429 L430S97-L429 CarbonylContact O-C 3.57Å; S97-L429 WeakPolarHBondContact O-CA 3.42Å; S97-L430 PolarHBondContact N-O 3.4Å; S97-L430 PolarHBondContact O-N 3.22Å
98A96.8Very high94.9Very high12 Ų1245.3 Ų45.310%0.09924%0.24CC..EExtended strand (participates in β ladder)trans-114.8128.7176.600000109.4H86 V87 K89 C428 L429H86-A98 PolarHBondContact ND1-O 3.37Å; V87-A98 HydrophobicContact CG2-CB 3.68Å; V87-A98 PolarHBondContact N-O 2.93Å; K89-A98 HydrophobicContact CD-CB 3.95Å; K89-A98 HydrophobicContact CG-CB 3.78Å; A98-C428 WeakPolarHBondContact CA-O 3.33Å; A98-L429 HydrophobicContact CB-CD1 3.93Å
99F97.9Very high95.1Very high15 Ų1540.4 Ų40.47%0.06621%0.208CC..EExtended strand (participates in β ladder)trans-157.1161.7179.259.4-87.4000112.3D84 E85 R101 C428 L430D84-F99 HydrophobicContact CB-CB 4.42Å; D84-F99 HydrophobicContact CB-CD2 3.71Å; D84-F99 HydrophobicContact CB-CE2 4.32Å; D84-F99 HydrophobicContact CB-CG 4.29Å; D84-F99 WeakPolarHBondContact OD2-CE2 3.41Å; E85-F99 CarbonylContact O-C 3.42Å; E85-F99 WeakPolarHBondContact O-CA 3.36Å; E85-F99 WeakPolarHBondContact O-CB 3.46Å; F99-R101 HydrophobicContact CD2-CB 4.46Å; F99-R101 HydrophobicContact CE2-CB 4.31Å; F99-C428 HydrophobicContact CD1-CB 4.2Å; F99-C428 HydrophobicContact CD2-CB 3.81Å; F99-C428 HydrophobicContact CE1-CB 3.89Å; F99-C428 HydrophobicContact CE2-CB 3.47Å; F99-C428 VanDerWaalsContact CE2-CB 3.47Å; F99-C428 HydrophobicContact CG-CB 4.17Å; F99-C428 HydrophobicContact CZ-CB 3.51Å; F99-C428 PolarHBondContact N-O 3.48Å; F99-C428 WeakPolarHBondContact O-CB 3.13Å; F99-C428 PolarHBondContact O-N 3Å; F99-L430 HydrophobicContact CE1-CD1 3.73Å; F99-L430 HydrophobicContact CE1-CG 3.88Å; F99-L430 HydrophobicContact CZ-CD1 4.04Å; F99-L430 HydrophobicContact CZ-CG 4.32Å
100I98.6Very high95.4Very high40 Ų4036.8 Ų36.821%0.20519%0.193CC..EExtended strand (participates in β ladder)trans-104.7118.8172.7-60.4167.4000108.4D84 E85 V87 K102 H425 R426D84-I100 WeakPolarHBondContact CA-O 3.43Å; E85-I100 HydrophobicContact CB-CB 4.48Å; E85-I100 PolarHBondContact N-O 3.3Å; E85-I100 PolarHBondContact O-N 3.17Å; V87-I100 HydrophobicContact CG1-CD1 3.67Å; V87-I100 HydrophobicContact CG1-CG1 3.81Å; I100-K102 PolarHBondContact O-NZ 3.5Å; I100-H425 HydrophobicContact CG2-CB 3.68Å; I100-R426 WeakPolarHBondContact CA-O 3.36Å
101R98.4Very high95.8Very high102 Ų10235.2 Ų35.239%0.38518%0.184SC..EExtended strand (participates in β ladder)trans-95.3136.6172.5178.7163.7-71175.51.1110.6D84 F99 E103 H425 R426D84-R101 WeakPolarHBondContact OD1-CA 3.42Å; D84-R101 VanDerWaalsContact OD1-CB 3.28Å; D84-R101 WeakPolarHBondContact OD1-CB 3.32Å; D84-R101 WeakPolarHBondContact OD1-CG 3.35Å; D84-R101 IonicContact OD1-CZ 3.88Å; D84-R101 IonicContact OD1-NE 2.85Å; D84-R101 PolarHBondContact OD1-NE 3.23Å; D84-R101 IonicContact OD1-NH2 2.71Å; D84-R101 IonicContact OD2-CZ 2.6Å; D84-R101 IonicContact OD2-NE 3.4Å; D84-R101 PolarHBondContact OD2-NE 2.91Å; D84-R101 IonicContact OD2-NH2 2.84Å; D84-R101 PolarHBondContact OD2-NH2 2.96Å; F99-R101 HydrophobicContact CD2-CB 4.46Å; F99-R101 HydrophobicContact CE2-CB 4.31Å; R101-E103 VanDerWaalsContact CD-OE1 3.31Å; R101-E103 WeakPolarHBondContact CD-OE1 3.41Å; R101-E103 HydrophobicContact CG-CG 3.72Å; R101-H425 CarbonylContact O-C 3.6Å; R101-R426 HydrophobicContact CB-CB 4.44Å; R101-R426 PolarHBondContact N-O 3.28Å; R101-R426 PolarHBondContact O-N 2.78Å
102K98.4Very high96.2Very high22 Ų2232 Ų3210%0.09617%0.168CC..EExtended strand (participates in β ladder)trans-99.5111.2177.8-62.288.6178.6175.30109.1K83 E85 I100 F419K83-K102 WeakPolarHBondContact O-CD 3.14Å; K83-K102 PolarHBondContact O-NZ 3.23Å; E85-K102 IonicContact OE2-NZ 3.84Å; E85-K102 PolarHBondContact OE2-NZ 3.28Å; E85-K102 VanDerWaalsContact OE2-NZ 3.07Å; I100-K102 PolarHBondContact O-NZ 3.5Å; K102-F419 HydrophobicContact CB-CE1 3.96Å; K102-F419 HydrophobicContact CB-CZ 4.15Å; K102-F419 HydrophobicContact CG-CE1 4.09Å
103E97.6Very high96.7Very high50 Ų5030.2 Ų30.223%0.23415%0.153CC..EExtended strand (participates in β ladder)trans-115.5139.4-177.3-54.3-176.7162.300109.1R101 S423 H424 R426R101-E103 VanDerWaalsContact CD-OE1 3.31Å; R101-E103 WeakPolarHBondContact CD-OE1 3.41Å; R101-E103 HydrophobicContact CG-CG 3.72Å; E103-S423 CarbonylContact O-C 3.42Å; E103-S423 WeakPolarHBondContact O-CA 3.09Å; E103-H424 PolarHBondContact N-O 3.18Å; E103-H424 PolarHBondContact O-N 2.99Å; E103-R426 VanDerWaalsContact OE1-CD 3.3Å; E103-R426 WeakPolarHBondContact OE1-CD 3.46Å; E103-R426 IonicContact OE1-NH1 2.8Å; E103-R426 PolarHBondContact OE1-NH1 2.78Å; E103-R426 VanDerWaalsContact OE1-NH1 3.14Å; E103-R426 WeakPolarHBondContact OE2-CD 3.36Å; E103-R426 IonicContact OE2-NH1 3.9Å; E103-R426 PolarHBondContact OE2-NH1 3.41Å
104P98.6Very high97.1Very high23 Ų2330.3 Ų30.315%0.14915%0.149CC..EExtended strand (participates in β ladder)trans-60.4148.8173.323.8-31.5000110.9F15 A131 G132 N133F15-P104 HydrophobicContact CE2-CB 3.93Å; F15-P104 HydrophobicContact CE2-CG 3.78Å; F15-P104 HydrophobicContact CZ-CB 4.21Å; F15-P104 HydrophobicContact CZ-CG 3.92Å; P104-A131 WeakPolarHBondContact CB-O 3.36Å; P104-G132 WeakPolarHBondContact CB-O 3.25Å; P104-N133 WeakPolarHBondContact CB-OD1 3.47Å
105F98.7Very high97.5Very high59 Ų5925.7 Ų25.726%0.25913%0.128SC..  trans-66.5-48172.7-83.8-75.8000112.2N133 D182 Y183 P206 T421 F422 S423 H424F105-N133 PolarHBondContact N-OD1 3.28Å; F105-D182 HydrophobicContact CB-CB 3.9Å; F105-Y183 HydrophobicContact CD1-CD2 4.32Å; F105-Y183 AromaticContact CD2-CD2 3.51Å; F105-Y183 HydrophobicContact CD2-CD2 3.51Å; F105-Y183 HydrophobicContact CD2-CE2 4.19Å; F105-Y183 HydrophobicContact CD2-CG 4.32Å; F105-Y183 HydrophobicContact CE1-CD2 4.23Å; F105-Y183 AromaticContact CE2-CD2 3.4Å; F105-Y183 HydrophobicContact CE2-CD2 3.4Å; F105-Y183 VanDerWaalsContact CE2-CD2 3.4Å; F105-Y183 AromaticContact CE2-CE2 3.62Å; F105-Y183 HydrophobicContact CE2-CE2 3.62Å; F105-Y183 AromaticContact CG-CD2 3.99Å; F105-Y183 HydrophobicContact CG-CD2 3.99Å; F105-Y183 AromaticContact CZ-CD2 3.79Å; F105-Y183 HydrophobicContact CZ-CD2 3.79Å; F105-Y183 AromaticContact CZ-CE2 3.89Å; F105-Y183 HydrophobicContact CZ-CE2 3.89Å; F105-P206 HydrophobicContact CD1-CG 4.41Å; F105-P206 HydrophobicContact CE1-CG 3.97Å; F105-P206 HydrophobicContact CZ-CG 4.33Å; F105-T421 WeakPolarHBondContact CE2-O 3.42Å; F105-F422 WeakPolarHBondContact CD2-O 3.27Å; F105-S423 VanDerWaalsContact CE2-C 3.45Å; F105-H424 HydrophobicContact CE1-CB 4.18Å; F105-H424 HydrophobicContact CZ-CB 4.25Å
106G98.6Very high97.9Very high0 Ų022.2 Ų22.20%011%0.109CC..SBendtrans142.5-113.8-173.900000112.6F15 N133 C134 D182F15-G106 VanDerWaalsContact CZ-CA 3.43Å; G106-N133 PolarHBondContact N-OD1 2.85Å; G106-N133 WeakPolarHBondContact O-CA 3.34Å; G106-N133 WeakPolarHBondContact O-CB 3.38Å; G106-C134 PolarHBondContact O-N 3.49Å; G106-D182 WeakPolarHBondContact CA-OD2 3.35Å
107L98.8Very high98.3Very high2 Ų221.7 Ų21.71%0.0111%0.106CC..EExtended strand (participates in β ladder)trans-93.7113.4176-172.763.3000110.5L8 L11 R12 C134 V136 F181 D182L8-L107 HydrophobicContact CD2-CD2 4.01Å; L11-L107 HydrophobicContact CB-CD1 3.66Å; L11-L107 HydrophobicContact CD1-CD1 3.91Å; L11-L107 HydrophobicContact CG-CD1 4.37Å; R12-L107 HydrophobicContact CG-CD2 4.05Å; L107-C134 HydrophobicContact CD1-CB 3.92Å; L107-V136 HydrophobicContact CD1-CG2 4.09Å; L107-F181 HydrophobicContact CD2-CD1 4.06Å; L107-F181 HydrophobicContact CD2-CE1 3.96Å; L107-F181 HydrophobicContact CG-CD1 3.89Å; L107-F181 HydrophobicContact CG-CE1 4.07Å; L107-D182 PolarHBondContact N-OD2 3.4Å; L107-D182 PolarHBondContact O-N 2.93Å
108V98.9Very high98.5Very high0 Ų019.7 Ų19.70%09%0.092CC..EExtended strand (participates in β ladder)trans-101.1136.1-179.8174.80000110.1I110 A128 N133 C134 V135 V136 Y183 F422V108-I110 HydrophobicContact CG1-CG1 4.06Å; V108-A128 HydrophobicContact CG1-CB 4.32Å; V108-N133 HydrophobicContact CB-CB 4.35Å; V108-N133 HydrophobicContact CG2-CB 3.55Å; V108-C134 PolarHBondContact N-O 2.98Å; V108-V135 HydrophobicContact CB-CG2 4.48Å; V108-V135 CarbonylContact O-C 3.19Å; V108-V135 WeakPolarHBondContact O-CA 3.48Å; V108-V136 PolarHBondContact O-N 3.47Å; V108-Y183 WeakPolarHBondContact CA-O 3.05Å; V108-F422 HydrophobicContact CG1-CD1 3.8Å; V108-F422 HydrophobicContact CG1-CE1 3.57Å; V108-F422 HydrophobicContact CG2-CD1 4.12Å
109L98.9Very high98.5Very high0 Ų019.7 Ų19.70%09%0.09CC..EExtended strand (participates in β ladder)trans-102129.5167.5176.160.4000109.9I111 V136 K138 L176 L177 F181 Y183 I184 F185L109-I111 HydrophobicContact CD1-CG1 4.24Å; L109-I111 HydrophobicContact CD2-CD1 3.88Å; L109-I111 HydrophobicContact CD2-CG1 4.08Å; L109-I111 HydrophobicContact CG-CD1 4.28Å; L109-I111 HydrophobicContact CG-CG1 3.95Å; L109-V136 WeakPolarHBondContact CA-O 3.15Å; L109-V136 HydrophobicContact CD1-CB 4.05Å; L109-V136 HydrophobicContact CD1-CG1 3.86Å; L109-K138 HydrophobicContact CD1-CB 4.49Å; L109-L176 HydrophobicContact CD1-CD2 3.71Å; L109-L176 HydrophobicContact CD1-CG 4.44Å; L109-L176 HydrophobicContact CD2-CD2 4.31Å; L109-L176 HydrophobicContact CD2-CG 4.42Å; L109-L177 HydrophobicContact CD2-CD2 3.86Å; L109-F181 HydrophobicContact CB-CB 4.42Å; L109-F181 HydrophobicContact CB-CD1 3.57Å; L109-F181 HydrophobicContact CB-CD2 4.05Å; L109-F181 HydrophobicContact CB-CE1 3.74Å; L109-F181 HydrophobicContact CB-CE2 4.2Å; L109-F181 HydrophobicContact CB-CG 3.73Å; L109-F181 HydrophobicContact CB-CZ 4.05Å; L109-F181 HydrophobicContact CD1-CE1 4.47Å; L109-F181 HydrophobicContact CD1-CZ 4.3Å; L109-F181 HydrophobicContact CD2-CD2 3.99Å; L109-F181 HydrophobicContact CD2-CE2 3.74Å; L109-F181 HydrophobicContact CD2-CZ 4.06Å; L109-F181 HydrophobicContact CG-CE1 4.48Å; L109-F181 HydrophobicContact CG-CE2 4.46Å; L109-F181 HydrophobicContact CG-CZ 4.37Å; L109-Y183 PolarHBondContact N-O 2.93Å; L109-I184 HydrophobicContact CB-CG1 4.15Å; L109-I184 HydrophobicContact CB-CG2 4.45Å; L109-I184 HydrophobicContact CD2-CG1 4.36Å; L109-I184 HydrophobicContact CD2-CG2 4.26Å; L109-I184 HydrophobicContact CG-CG2 4.44Å; L109-I184 CarbonylContact O-C 3.54Å; L109-I184 WeakPolarHBondContact O-CA 3.44Å; L109-F185 PolarHBondContact O-N 2.94Å
110I98.9Very high98.6Very high0 Ų019.4 Ų19.40%09%0.089CC..EExtended strand (participates in β ladder)trans-116117.6171.8-59.4177000108.3V108 P124 L125 A128 V135 V136 L137 K138 F185V108-I110 HydrophobicContact CG1-CG1 4.06Å; I110-P124 HydrophobicContact CD1-CB 4.1Å; I110-P124 HydrophobicContact CD1-CG 4.46Å; I110-P124 HydrophobicContact CG2-CB 4.31Å; I110-P124 HydrophobicContact CG2-CG 3.87Å; I110-L125 HydrophobicContact CD1-CB 4.08Å; I110-L125 HydrophobicContact CD1-CD1 4.43Å; I110-A128 HydrophobicContact CD1-CB 4.29Å; I110-V135 HydrophobicContact CD1-CG1 3.78Å; I110-V135 HydrophobicContact CG1-CG1 4.06Å; I110-V136 PolarHBondContact N-O 3.19Å; I110-L137 HydrophobicContact CB-CD1 3.9Å; I110-L137 HydrophobicContact CG2-CD1 3.83Å; I110-K138 PolarHBondContact O-N 3.23Å; I110-F185 WeakPolarHBondContact CA-O 3.31Å; I110-F185 HydrophobicContact CG1-CB 4.31Å; I110-F185 HydrophobicContact CG2-CD1 4.35Å
111I98.9Very high98.6Very high10 Ų1017.5 Ų17.55%0.0518%0.08CC..EExtended strand (participates in β ladder)trans-107.9109.1175.1-60.5164.8000107.9L109 K138 T173 L177 I184 F185 F186 T187 V196L109-I111 HydrophobicContact CD1-CG1 4.24Å; L109-I111 HydrophobicContact CD2-CD1 3.88Å; L109-I111 HydrophobicContact CD2-CG1 4.08Å; L109-I111 HydrophobicContact CG-CD1 4.28Å; L109-I111 HydrophobicContact CG-CG1 3.95Å; I111-K138 HydrophobicContact CG1-CB 4.31Å; I111-K138 HydrophobicContact CG2-CD 4.07Å; I111-T173 HydrophobicContact CD1-CG2 4.12Å; I111-L177 HydrophobicContact CD1-CD2 4.16Å; I111-I184 HydrophobicContact CD1-CG2 4.47Å; I111-F185 PolarHBondContact N-O 3.37Å; I111-F186 HydrophobicContact CB-CD2 3.83Å; I111-F186 HydrophobicContact CD1-CD2 4.28Å; I111-F186 HydrophobicContact CG2-CD2 3.61Å; I111-F186 HydrophobicContact CG2-CE2 3.93Å; I111-T187 PolarHBondContact O-N 2.71Å; I111-T187 VanDerWaalsContact O-N 3.15Å; I111-V196 HydrophobicContact CD1-CG2 4.38Å
112A98.6Very high98.6Very high5 Ų512.7 Ų12.74%0.0416%0.061CC..  trans-98.3149.7-175.100000112T121 K138 S140A112-T121 WeakPolarHBondContact CB-OG1 3.42Å; A112-K138 PolarHBondContact N-O 3.45Å; A112-S140 WeakPolarHBondContact O-CB 3.32Å; A112-S140 PolarHBondContact O-N 3.36Å
113P98.5Very high98.6Very high11 Ų1111.6 Ų11.67%0.0716%0.057CC..  trans-90.1-177.2178.239.2-31.3000110.6L120 T187P113-L120 HydrophobicContact CG-CB 3.98Å; P113-L120 HydrophobicContact CG-CD1 3.37Å; P113-L120 HydrophobicContact CG-CG 4.29Å; P113-T187 HydrophobicContact CG-CG2 3.8Å
114W98.6Very high98.6Very high33 Ų339.2 Ų9.213%0.1255%0.046CC..SBendtrans-95.3-20.5-172.550-93.9000115.3L52 P117 S140 I142 S143 Q242 I286 F336L52-W114 HydrophobicContact CD2-CE3 4.38Å; L52-W114 HydrophobicContact CD2-CZ3 4.38Å; W114-P117 VanDerWaalsContact O-CD 3.25Å; W114-P117 WeakPolarHBondContact O-CD 3.46Å; W114-S140 WeakPolarHBondContact CB-OG 3.43Å; W114-I142 HydrophobicContact CB-CB 3.82Å; W114-I142 HydrophobicContact CB-CG2 3.85Å; W114-I142 HydrophobicContact CD2-CG2 4.29Å; W114-I142 HydrophobicContact CG-CB 4.05Å; W114-I142 HydrophobicContact CG-CD1 4.28Å; W114-I142 HydrophobicContact CG-CG2 3.82Å; W114-S143 VanDerWaalsContact CA-OG 3.28Å; W114-S143 WeakPolarHBondContact CA-OG 3.31Å; W114-S143 WeakPolarHBondContact CB-OG 3.47Å; W114-S143 PolarHBondContact O-OG 2.98Å; W114-Q242 HydrophobicContact CH2-CB 4.02Å; W114-Q242 HydrophobicContact CH2-CG 4.09Å; W114-Q242 HydrophobicContact CZ3-CB 3.95Å; W114-Q242 HydrophobicContact CZ3-CG 4.18Å; W114-I286 HydrophobicContact CD2-CB 4.42Å; W114-I286 HydrophobicContact CD2-CG1 4.1Å; W114-I286 HydrophobicContact CD2-CG2 4.16Å; W114-I286 HydrophobicContact CE3-CB 3.67Å; W114-I286 HydrophobicContact CE3-CD1 4.24Å; W114-I286 HydrophobicContact CE3-CG1 3.59Å; W114-I286 HydrophobicContact CE3-CG2 3.75Å; W114-I286 HydrophobicContact CH2-CB 4.14Å; W114-I286 HydrophobicContact CH2-CG2 3.49Å; W114-I286 VanDerWaalsContact CH2-CG2 3.49Å; W114-I286 HydrophobicContact CZ2-CG2 3.93Å; W114-I286 HydrophobicContact CZ3-CB 3.52Å; W114-I286 HydrophobicContact CZ3-CG1 4.02Å; W114-I286 HydrophobicContact CZ3-CG2 3.42Å; W114-I286 VanDerWaalsContact CZ3-CG2 3.42Å; W114-F336 AromaticContact CH2-CD1 3.64Å; W114-F336 HydrophobicContact CH2-CD1 3.64Å; W114-F336 AromaticContact CH2-CE1 3.35Å; W114-F336 HydrophobicContact CH2-CE1 3.35Å; W114-F336 AromaticContact CZ2-CD1 3.86Å; W114-F336 HydrophobicContact CZ2-CD1 3.86Å; W114-F336 AromaticContact CZ2-CE1 3.5Å; W114-F336 HydrophobicContact CZ2-CE1 3.5Å; W114-F336 VanDerWaalsContact CZ2-CE1 3.5Å; W114-F336 HydrophobicContact CZ3-CE1 4.11Å
115N98.5Very high98.7Very high6 Ų68.1 Ų8.13%0.0324%0.039CC..SBendtrans-80.1-29.8-165.464.9-47.6000114.3L52 K54 N239 Q242 F336L52-N115 WeakPolarHBondContact CD1-O 3.49Å; K54-N115 PolarHBondContact NZ-O 3.04Å; N115-N239 PolarHBondContact O-ND2 3.3Å; N115-Q242 HydrophobicContact CB-CB 4.48Å; N115-Q242 VanDerWaalsContact CB-O 3.25Å; N115-Q242 WeakPolarHBondContact CB-O 3.27Å; N115-Q242 PolarHBondContact ND2-O 2.62Å; N115-F336 HydrophobicContact CB-CE1 3.96Å; N115-F336 HydrophobicContact CB-CZ 4Å; N115-F336 WeakPolarHBondContact ND2-CZ 3.44Å
116Y98.5Very high98.7Very high18 Ų185.5 Ų5.57%0.0713%0.027CC..SBendtrans-131.369165.6-64.7-90.4000109.1S62 E63 L118 N119 L120 F238 N239 T243S62-Y116 WeakPolarHBondContact OG-CE1 3.49Å; E63-Y116 HydrophobicContact CG-CD1 4.49Å; E63-Y116 WeakPolarHBondContact OE1-CA 3.47Å; E63-Y116 VanDerWaalsContact OE2-C 3.25Å; Y116-L118 PolarHBondContact O-N 3.13Å; Y116-L118 VanDerWaalsContact O-N 3.12Å; Y116-N119 PolarHBondContact O-N 3.17Å; Y116-L120 HydrophobicContact CD2-CD1 4.31Å; Y116-L120 WeakPolarHBondContact O-CB 3.24Å; Y116-L120 PolarHBondContact O-N 3.17Å; Y116-F238 HydrophobicContact CE1-CE1 4.08Å; Y116-F238 WeakPolarHBondContact OH-CD1 3.36Å; Y116-N239 HydrophobicContact CE1-CB 4.47Å; Y116-N239 WeakPolarHBondContact OH-CB 3.49Å; Y116-T243 HydrophobicContact CE2-CG2 3.74Å; Y116-T243 PolarHBondContact OH-OG1 3.43Å
117P98.5Very high98.7Very high5 Ų55.5 Ų5.53%0.0323%0.028CC..THydrogen-bonded Turntrans-70.5-14.7-160.128.7-32.6000112.8L48 E63 W114 T121 M146L48-P117 HydrophobicContact CD2-CG 3.8Å; E63-P117 WeakPolarHBondContact OE1-CD 3.29Å; W114-P117 VanDerWaalsContact O-CD 3.25Å; W114-P117 WeakPolarHBondContact O-CD 3.46Å; P117-T121 VanDerWaalsContact O-CB 3.31Å; P117-T121 WeakPolarHBondContact O-CB 3.34Å; P117-T121 PolarHBondContact O-OG1 3.29Å; P117-M146 HydrophobicContact CB-CB 4.04Å; P117-M146 HydrophobicContact CB-CG 3.77Å; P117-M146 HydrophobicContact CG-CB 3.89Å; P117-M146 HydrophobicContact CG-CG 3.82Å
118L98.6Very high98.7Very high0 Ų05.4 Ų5.40%03%0.027CC..THydrogen-bonded Turntrans-92.7-53.6174.5-177.666.2000111.2F36 L37 L44 E63 V64 Y116 T121 L122 M146 L150F36-L118 HydrophobicContact CE1-CD1 4.09Å; L37-L118 HydrophobicContact CD2-CD1 4.41Å; L37-L118 HydrophobicContact CD2-CD2 4.01Å; L37-L118 HydrophobicContact CD2-CG 4.49Å; L44-L118 HydrophobicContact CB-CD2 4.39Å; L44-L118 HydrophobicContact CD1-CD2 4.08Å; L44-L118 HydrophobicContact CD2-CD1 3.92Å; L44-L118 HydrophobicContact CD2-CD2 4.13Å; L44-L118 HydrophobicContact CG-CD2 4.44Å; E63-L118 HydrophobicContact CB-CB 4.17Å; E63-L118 HydrophobicContact CB-CD2 4.09Å; E63-L118 PolarHBondContact OE2-N 2.97Å; V64-L118 HydrophobicContact CG2-CD2 4.03Å; Y116-L118 PolarHBondContact O-N 3.13Å; Y116-L118 VanDerWaalsContact O-N 3.12Å; L118-T121 WeakPolarHBondContact O-CB 3.48Å; L118-T121 PolarHBondContact O-N 3.4Å; L118-L122 HydrophobicContact CD1-CD1 3.52Å; L118-L122 HydrophobicContact CD1-CG 3.91Å; L118-L122 HydrophobicContact CG-CD1 3.99Å; L118-L122 HydrophobicContact CG-CG 4.45Å; L118-L122 WeakPolarHBondContact O-CB 3.45Å; L118-L122 WeakPolarHBondContact O-CG 3.21Å; L118-L122 PolarHBondContact O-N 3.39Å; L118-M146 HydrophobicContact CB-CE 4.22Å; L118-M146 HydrophobicContact CB-SD 4.3Å; L118-M146 HydrophobicContact CD1-SD 4.24Å; L118-L150 HydrophobicContact CD1-CD2 4.25Å
119N97.9Very high98.7Very high12 Ų125.8 Ų5.86%0.0643%0.029CC..Hα-helixtrans-61.7-49.1-178.4167.540.4000112.5S62 E63 Y116 T121 L122 V123S62-N119 WeakPolarHBondContact O-CB 3.46Å; E63-N119 WeakPolarHBondContact OE2-CB 3.21Å; E63-N119 PolarHBondContact OE2-N 2.96Å; Y116-N119 PolarHBondContact O-N 3.17Å; N119-T121 PolarHBondContact O-N 2.92Å; N119-T121 VanDerWaalsContact O-N 3.11Å; N119-L122 PolarHBondContact O-N 2.97Å; N119-V123 WeakPolarHBondContact O-CG2 3.09Å; N119-V123 PolarHBondContact O-N 3.25Å; N119-V123 WeakPolarHBondContact OD1-CG2 3.4Å
120L98.6Very high98.7Very high9 Ų95.8 Ų5.85%0.0473%0.029CC..Hα-helixtrans-71.4-8.1-178.3-62.8172.9000113.1P113 Y116 P124 T187P113-L120 HydrophobicContact CG-CB 3.98Å; P113-L120 HydrophobicContact CG-CD1 3.37Å; P113-L120 HydrophobicContact CG-CG 4.29Å; Y116-L120 HydrophobicContact CD2-CD1 4.31Å; Y116-L120 WeakPolarHBondContact O-CB 3.24Å; Y116-L120 PolarHBondContact O-N 3.17Å; L120-P124 VanDerWaalsContact O-CG 3.27Å; L120-P124 WeakPolarHBondContact O-CG 2.91Å; L120-T187 HydrophobicContact CD1-CG2 4.35Å
121T98.6Very high98.7Very high1 Ų15.8 Ų5.81%0.0063%0.029CC..Hα-helixtrans-91.6-52.4170.1-64.50000110.7A112 P117 L118 N119 L125 L137 L150A112-T121 WeakPolarHBondContact CB-OG1 3.42Å; P117-T121 VanDerWaalsContact O-CB 3.31Å; P117-T121 WeakPolarHBondContact O-CB 3.34Å; P117-T121 PolarHBondContact O-OG1 3.29Å; L118-T121 WeakPolarHBondContact O-CB 3.48Å; L118-T121 PolarHBondContact O-N 3.4Å; N119-T121 PolarHBondContact O-N 2.92Å; N119-T121 VanDerWaalsContact O-N 3.11Å; T121-L125 VanDerWaalsContact O-CB 3.3Å; T121-L125 WeakPolarHBondContact O-CB 3.34Å; T121-L125 PolarHBondContact O-N 3.02Å; T121-L137 HydrophobicContact CG2-CD1 3.61Å; T121-L137 HydrophobicContact CG2-CD2 3.44Å; T121-L137 VanDerWaalsContact CG2-CD2 3.44Å; T121-L137 HydrophobicContact CG2-CG 4Å; T121-L150 HydrophobicContact CG2-CD1 3.84Å; T121-L150 HydrophobicContact CG2-CD2 4.13Å
122L98.7Very high98.7Very high0 Ų05.3 Ų5.30%03%0.027CC..Hα-helixtrans-78.1-37.5-169.1-68.2-171.9000113.6L33 F36 L37 L118 N119 L125 V126 L154L33-L122 HydrophobicContact CD2-CD2 4.22Å; F36-L122 HydrophobicContact CD1-CD1 4.42Å; F36-L122 HydrophobicContact CE1-CD1 4.3Å; L37-L122 HydrophobicContact CD1-CD1 4.27Å; L37-L122 HydrophobicContact CD2-CD1 3.55Å; L37-L122 HydrophobicContact CG-CD1 4.04Å; L118-L122 HydrophobicContact CD1-CD1 3.52Å; L118-L122 HydrophobicContact CD1-CG 3.91Å; L118-L122 HydrophobicContact CG-CD1 3.99Å; L118-L122 HydrophobicContact CG-CG 4.45Å; L118-L122 WeakPolarHBondContact O-CB 3.45Å; L118-L122 WeakPolarHBondContact O-CG 3.21Å; L118-L122 PolarHBondContact O-N 3.39Å; N119-L122 PolarHBondContact O-N 2.97Å; L122-L125 HydrophobicContact CD2-CD2 4.05Å; L122-L125 WeakPolarHBondContact O-CB 3.49Å; L122-L125 PolarHBondContact O-N 3.12Å; L122-V126 VanDerWaalsContact O-CG2 3.28Å; L122-V126 WeakPolarHBondContact O-CG2 3.45Å; L122-V126 PolarHBondContact O-N 3.2Å; L122-L154 HydrophobicContact CD2-CD2 4.34Å
123V98.6Very high98.7Very high0 Ų05.2 Ų5.20%03%0.025CC..Hα-helixtrans-62.1-49.4-178.9177.40000112.8I66 E70 N119 L125 V126 G127 Y413I66-V123 HydrophobicContact CG2-CG2 4.28Å; E70-V123 HydrophobicContact CB-CG2 4.43Å; E70-V123 HydrophobicContact CG-CB 4.46Å; E70-V123 HydrophobicContact CG-CG1 3.86Å; E70-V123 HydrophobicContact CG-CG2 3.93Å; N119-V123 WeakPolarHBondContact O-CG2 3.09Å; N119-V123 PolarHBondContact O-N 3.25Å; N119-V123 WeakPolarHBondContact OD1-CG2 3.4Å; V123-L125 VanDerWaalsContact C-N 3.3Å; V123-L125 PolarHBondContact O-N 3Å; V123-V126 PolarHBondContact O-N 2.95Å; V123-G127 PolarHBondContact O-N 2.88Å; V123-Y413 HydrophobicContact CB-CE2 4.01Å; V123-Y413 HydrophobicContact CG1-CD2 3.82Å; V123-Y413 HydrophobicContact CG1-CE2 3.48Å; V123-Y413 VanDerWaalsContact CG1-CE2 3.48Å
124P98.9Very high98.7Very high0 Ų04.7 Ų4.70%02%0.022CC..Hα-helixtrans-65.3-34173.225.5-33000112.1I110 L120 V126 G127 A128 F185 Y413 F422I110-P124 HydrophobicContact CD1-CB 4.1Å; I110-P124 HydrophobicContact CD1-CG 4.46Å; I110-P124 HydrophobicContact CG2-CB 4.31Å; I110-P124 HydrophobicContact CG2-CG 3.87Å; L120-P124 VanDerWaalsContact O-CG 3.27Å; L120-P124 WeakPolarHBondContact O-CG 2.91Å; P124-V126 PolarHBondContact O-N 2.92Å; P124-G127 PolarHBondContact O-N 3.19Å; P124-A128 PolarHBondContact O-N 2.7Å; P124-F185 HydrophobicContact CB-CD1 3.83Å; P124-F185 HydrophobicContact CB-CD2 4.26Å; P124-F185 HydrophobicContact CB-CE1 3.74Å; P124-F185 HydrophobicContact CB-CE2 4.18Å; P124-F185 HydrophobicContact CB-CG 4.1Å; P124-F185 HydrophobicContact CB-CZ 3.93Å; P124-F185 HydrophobicContact CG-CD1 4.13Å; P124-F185 HydrophobicContact CG-CE1 3.88Å; P124-F185 HydrophobicContact CG-CZ 4.41Å; P124-Y413 HydrophobicContact CB-CD2 4.42Å; P124-F422 HydrophobicContact CB-CE2 4.23Å; P124-F422 HydrophobicContact CB-CZ 4.11Å; P124-F422 WeakPolarHBondContact O-CE2 3.38Å
125L98.9Very high98.7Very high0 Ų03.1 Ų3.10%02%0.016CC..Hα-helixtrans-62.1-41.6176.6178.861.9000112.3L33 I110 T121 L122 V123 G127 A128 L129 V135 L154 L158 F163L33-L125 HydrophobicContact CD1-CD2 4.36Å; L33-L125 HydrophobicContact CD1-CG 4.3Å; L33-L125 HydrophobicContact CD2-CD2 3.94Å; I110-L125 HydrophobicContact CD1-CB 4.08Å; I110-L125 HydrophobicContact CD1-CD1 4.43Å; T121-L125 VanDerWaalsContact O-CB 3.3Å; T121-L125 WeakPolarHBondContact O-CB 3.34Å; T121-L125 PolarHBondContact O-N 3.02Å; L122-L125 HydrophobicContact CD2-CD2 4.05Å; L122-L125 WeakPolarHBondContact O-CB 3.49Å; L122-L125 PolarHBondContact O-N 3.12Å; V123-L125 VanDerWaalsContact C-N 3.3Å; V123-L125 PolarHBondContact O-N 3Å; L125-G127 VanDerWaalsContact C-N 3.3Å; L125-G127 PolarHBondContact O-N 2.88Å; L125-A128 PolarHBondContact O-N 3.36Å; L125-L129 HydrophobicContact CD1-CD1 3.89Å; L125-L129 HydrophobicContact CD1-CD2 4.44Å; L125-L129 HydrophobicContact CD1-CG 3.92Å; L125-L129 HydrophobicContact CG-CD1 3.87Å; L125-L129 HydrophobicContact CG-CG 4.32Å; L125-L129 WeakPolarHBondContact O-CB 3.29Å; L125-L129 VanDerWaalsContact O-CG 3.27Å; L125-L129 WeakPolarHBondContact O-CG 3.33Å; L125-L129 PolarHBondContact O-N 2.93Å; L125-V135 HydrophobicContact CD1-CB 3.99Å; L125-V135 HydrophobicContact CD1-CG1 3.73Å; L125-V135 HydrophobicContact CD1-CG2 4.05Å; L125-L154 HydrophobicContact CD2-CD2 4.23Å; L125-L158 HydrophobicContact CD2-CD1 4.33Å; L125-F163 HydrophobicContact CD1-CD2 4.08Å; L125-F163 HydrophobicContact CD1-CE2 3.83Å; L125-F163 HydrophobicContact CD2-CE2 3.95Å; L125-F163 HydrophobicContact CD2-CZ 4.43Å
126V98.9Very high98.7Very high3 Ų32.8 Ų2.82%0.0182%0.015CC..Hα-helixtrans-55.4-47.9173.81660000110.5L30 L33 E70 I71 A74 L122 V123 P124 A130L30-V126 HydrophobicContact CD2-CB 4.33Å; L30-V126 HydrophobicContact CD2-CG1 3.91Å; L30-V126 HydrophobicContact CD2-CG2 4.43Å; L33-V126 HydrophobicContact CD1-CG2 3.67Å; E70-V126 HydrophobicContact CB-CG1 4.35Å; I71-V126 HydrophobicContact CD1-CG2 4.44Å; I71-V126 HydrophobicContact CG1-CG2 3.47Å; I71-V126 VanDerWaalsContact CG1-CG2 3.47Å; A74-V126 HydrophobicContact CB-CG1 3.73Å; L122-V126 VanDerWaalsContact O-CG2 3.28Å; L122-V126 WeakPolarHBondContact O-CG2 3.45Å; L122-V126 PolarHBondContact O-N 3.2Å; V123-V126 PolarHBondContact O-N 2.95Å; P124-V126 PolarHBondContact O-N 2.92Å; V126-A130 WeakPolarHBondContact O-CB 3.49Å; V126-A130 PolarHBondContact O-N 3.35Å
127G98.8Very high98.8Very high1 Ų12 Ų21%0.011%0.011CC..Hα-helixtrans-59.4-50.1176.300000113.4V123 P124 L125 L129 A130 A131V123-G127 PolarHBondContact O-N 2.88Å; P124-G127 PolarHBondContact O-N 3.19Å; L125-G127 VanDerWaalsContact C-N 3.3Å; L125-G127 PolarHBondContact O-N 2.88Å; G127-L129 PolarHBondContact O-N 3.48Å; G127-A130 PolarHBondContact O-N 3.42Å; G127-A131 WeakPolarHBondContact O-CB 3.31Å; G127-A131 PolarHBondContact O-N 2.81Å
128A98.9Very high98.8Very high0 Ų02.2 Ų2.20%01%0.012CC..Hα-helixtrans-62.5-42.2-176.900000112V108 I110 P124 L125 A131 G132 N133 V135 F422V108-A128 HydrophobicContact CG1-CB 4.32Å; I110-A128 HydrophobicContact CD1-CB 4.29Å; P124-A128 PolarHBondContact O-N 2.7Å; L125-A128 PolarHBondContact O-N 3.36Å; A128-A131 PolarHBondContact O-N 2.6Å; A128-G132 PolarHBondContact O-N 2.84Å; A128-G132 VanDerWaalsContact O-N 3.16Å; A128-N133 WeakPolarHBondContact O-CB 3.5Å; A128-N133 PolarHBondContact O-N 3.46Å; A128-N133 PolarHBondContact O-ND2 3.32Å; A128-N133 VanDerWaalsContact O-ND2 3.08Å; A128-V135 HydrophobicContact CB-CG2 3.68Å; A128-F422 HydrophobicContact CB-CB 4.43Å; A128-F422 HydrophobicContact CB-CD1 4.18Å; A128-F422 HydrophobicContact CB-CD2 3.88Å; A128-F422 HydrophobicContact CB-CE1 4.39Å; A128-F422 HydrophobicContact CB-CE2 4.13Å; A128-F422 HydrophobicContact CB-CG 3.91Å; A128-F422 HydrophobicContact CB-CZ 4.37Å
129L98.9Very high98.8Very high7 Ų72.3 Ų2.34%0.0371%0.013CC..Hα-helixtrans-68.7-41.7175.4-66.2173.7000111.9R26 Q29 L30 L33 L125 G127 A131 G132 V135 L158R26-L129 WeakPolarHBondContact CG-O 3.16Å; Q29-L129 HydrophobicContact CB-CD1 4.18Å; Q29-L129 HydrophobicContact CB-CD2 4.41Å; L30-L129 HydrophobicContact CD2-CB 4.39Å; L33-L129 HydrophobicContact CD1-CD1 3.88Å; L33-L129 HydrophobicContact CG-CD1 4.32Å; L125-L129 HydrophobicContact CD1-CD1 3.89Å; L125-L129 HydrophobicContact CD1-CD2 4.44Å; L125-L129 HydrophobicContact CD1-CG 3.92Å; L125-L129 HydrophobicContact CG-CD1 3.87Å; L125-L129 HydrophobicContact CG-CG 4.32Å; L125-L129 WeakPolarHBondContact O-CB 3.29Å; L125-L129 VanDerWaalsContact O-CG 3.27Å; L125-L129 WeakPolarHBondContact O-CG 3.33Å; L125-L129 PolarHBondContact O-N 2.93Å; G127-L129 PolarHBondContact O-N 3.48Å; L129-A131 VanDerWaalsContact C-N 3.29Å; L129-A131 PolarHBondContact O-N 2.95Å; L129-G132 WeakPolarHBondContact O-CA 3.13Å; L129-G132 PolarHBondContact O-N 2.92Å; L129-V135 HydrophobicContact CD2-CG2 4.3Å; L129-L158 HydrophobicContact CD1-CD2 4.28Å
130A98.9Very high98.8Very high0 Ų02.3 Ų2.30%01%0.013CC..Hα-helixtrans-63.3-35.4176.300000112.1R26 L30 A74 L78 V126 G127 G132 F419R26-A130 VanDerWaalsContact CD-O 3.25Å; R26-A130 WeakPolarHBondContact CD-O 3.1Å; R26-A130 PolarHBondContact NH1-O 2.84Å; L30-A130 HydrophobicContact CD1-CB 4.26Å; A74-A130 HydrophobicContact CB-CB 4.42Å; L78-A130 HydrophobicContact CD1-CB 4.08Å; L78-A130 WeakPolarHBondContact CD1-O 3.36Å; V126-A130 WeakPolarHBondContact O-CB 3.49Å; V126-A130 PolarHBondContact O-N 3.35Å; G127-A130 PolarHBondContact O-N 3.42Å; A130-G132 VanDerWaalsContact C-N 3.27Å; A130-G132 PolarHBondContact O-N 3.3Å; A130-F419 HydrophobicContact CB-CD2 4.14Å; A130-F419 VanDerWaalsContact O-CE2 3.3Å; A130-F419 WeakPolarHBondContact O-CE2 3.24Å
131A98.9Very high98.7Very high0 Ų04.5 Ų4.50%02%0.023CC..Hα-helixtrans-73.6-17.4173.800000113.2R26 P104 G127 A128 L129 N133 F419 F422 S423R26-A131 PolarHBondContact NH1-O 3.36Å; R26-A131 PolarHBondContact NH2-O 3.29Å; P104-A131 WeakPolarHBondContact CB-O 3.36Å; G127-A131 WeakPolarHBondContact O-CB 3.31Å; G127-A131 PolarHBondContact O-N 2.81Å; A128-A131 PolarHBondContact O-N 2.6Å; L129-A131 VanDerWaalsContact C-N 3.29Å; L129-A131 PolarHBondContact O-N 2.95Å; A131-N133 WeakPolarHBondContact CB-ND2 3.35Å; A131-F419 HydrophobicContact CB-CD2 4.23Å; A131-F419 HydrophobicContact CB-CE2 4.47Å; A131-F422 HydrophobicContact CB-CB 3.74Å; A131-F422 WeakPolarHBondContact CB-O 3.48Å; A131-S423 WeakPolarHBondContact CB-OG 3.42Å
132G98.8Very high98.7Very high1 Ų17.1 Ų7.11%0.014%0.037CC..THydrogen-bonded Turntrans93.628.2173.600000114.6T20 R26 P104 A128 L129 A130T20-G132 WeakPolarHBondContact CB-O 3.23Å; T20-G132 PolarHBondContact OG1-O 3.24Å; R26-G132 VanDerWaalsContact CZ-CA 3.48Å; P104-G132 WeakPolarHBondContact CB-O 3.25Å; A128-G132 PolarHBondContact O-N 2.84Å; A128-G132 VanDerWaalsContact O-N 3.16Å; L129-G132 WeakPolarHBondContact O-CA 3.13Å; L129-G132 PolarHBondContact O-N 2.92Å; A130-G132 VanDerWaalsContact C-N 3.27Å; A130-G132 PolarHBondContact O-N 3.3Å
133N98.9Very high98.7Very high2 Ų27.1 Ų7.11%0.0114%0.037CC..  trans-87.5157.1178.5-60.9-78.6000111.6P104 F105 G106 V108 A128 A131 F422P104-N133 WeakPolarHBondContact CB-OD1 3.47Å; F105-N133 PolarHBondContact N-OD1 3.28Å; G106-N133 PolarHBondContact N-OD1 2.85Å; G106-N133 WeakPolarHBondContact O-CA 3.34Å; G106-N133 WeakPolarHBondContact O-CB 3.38Å; V108-N133 HydrophobicContact CB-CB 4.35Å; V108-N133 HydrophobicContact CG2-CB 3.55Å; A128-N133 WeakPolarHBondContact O-CB 3.5Å; A128-N133 PolarHBondContact O-N 3.46Å; A128-N133 PolarHBondContact O-ND2 3.32Å; A128-N133 VanDerWaalsContact O-ND2 3.08Å; A131-N133 WeakPolarHBondContact CB-ND2 3.35Å; N133-F422 PolarHBondContact ND2-O 2.95Å
134C98.9Very high98.6Very high0 Ų014.2 Ų14.20%07%0.068CC..EExtended strand (participates in β ladder)trans-82.2147.9156.5-69.50000108.7L11 F15 G106 L107 V108 C162L11-C134 HydrophobicContact CB-CB 4.4Å; L11-C134 PolarHBondContact O-SG 3.22Å; F15-C134 HydrophobicContact CB-CB 4.49Å; G106-C134 PolarHBondContact O-N 3.49Å; L107-C134 HydrophobicContact CD1-CB 3.92Å; V108-C134 PolarHBondContact N-O 2.98Å; C134-C162 CarbonylContact C-O 3.56Å; C134-C162 WeakPolarHBondContact CA-O 3.37Å; C134-C162 WeakPolarHBondContact CB-O 3.46Å
135V98.9Very high98.6Very high0 Ų015.6 Ų15.60%08%0.077CC..EExtended strand (participates in β ladder)trans-131.9132.5-170.8-174.40000111.8V108 I110 L125 A128 L129 C162 F163 A164V108-V135 HydrophobicContact CB-CG2 4.48Å; V108-V135 CarbonylContact O-C 3.19Å; V108-V135 WeakPolarHBondContact O-CA 3.48Å; I110-V135 HydrophobicContact CD1-CG1 3.78Å; I110-V135 HydrophobicContact CG1-CG1 4.06Å; L125-V135 HydrophobicContact CD1-CB 3.99Å; L125-V135 HydrophobicContact CD1-CG1 3.73Å; L125-V135 HydrophobicContact CD1-CG2 4.05Å; A128-V135 HydrophobicContact CB-CG2 3.68Å; L129-V135 HydrophobicContact CD2-CG2 4.3Å; V135-C162 PolarHBondContact N-O 3.25Å; V135-F163 HydrophobicContact CB-CD2 4.21Å; V135-F163 WeakPolarHBondContact O-CA 3.23Å; V135-A164 PolarHBondContact O-N 3.44Å
136V98.9Very high98.6Very high0 Ų015.6 Ų15.60%08%0.077CC..EExtended strand (participates in β ladder)trans-102.3124.3161.1179.70000107.9L8 L11 L107 V108 L109 I110 A164 V166 L176 F181L8-V136 HydrophobicContact CD2-CG2 3.63Å; L11-V136 HydrophobicContact CD1-CG2 3.42Å; L11-V136 VanDerWaalsContact CD1-CG2 3.42Å; L107-V136 HydrophobicContact CD1-CG2 4.09Å; V108-V136 PolarHBondContact O-N 3.47Å; L109-V136 WeakPolarHBondContact CA-O 3.15Å; L109-V136 HydrophobicContact CD1-CB 4.05Å; L109-V136 HydrophobicContact CD1-CG1 3.86Å; I110-V136 PolarHBondContact N-O 3.19Å; V136-A164 WeakPolarHBondContact CA-O 3.5Å; V136-V166 HydrophobicContact CG1-CB 4.19Å; V136-V166 HydrophobicContact CG1-CG2 3.73Å; V136-L176 HydrophobicContact CG1-CD2 4.4Å; V136-F181 HydrophobicContact CB-CE1 4.14Å; V136-F181 HydrophobicContact CG2-CE1 3.96Å
137L98.9Very high98.6Very high0 Ų016.6 Ų16.60%08%0.082CC..EExtended strand (participates in β ladder)trans-106.4126.6177.9-176.765.4000109.9I110 T121 P139 L154 F163 A164 V165 V166I110-L137 HydrophobicContact CB-CD1 3.9Å; I110-L137 HydrophobicContact CG2-CD1 3.83Å; T121-L137 HydrophobicContact CG2-CD1 3.61Å; T121-L137 HydrophobicContact CG2-CD2 3.44Å; T121-L137 VanDerWaalsContact CG2-CD2 3.44Å; T121-L137 HydrophobicContact CG2-CG 4Å; L137-P139 WeakPolarHBondContact O-CD 3.2Å; L137-L154 HydrophobicContact CD2-CD2 3.96Å; L137-F163 HydrophobicContact CB-CE2 3.96Å; L137-F163 HydrophobicContact CB-CZ 4.12Å; L137-F163 HydrophobicContact CD2-CE2 4.24Å; L137-F163 HydrophobicContact CD2-CZ 3.91Å; L137-A164 PolarHBondContact N-O 3.35Å; L137-V165 HydrophobicContact CB-CG2 4.42Å; L137-V165 HydrophobicContact CD2-CG2 4.28Å; L137-V165 CarbonylContact O-C 3.57Å; L137-V165 WeakPolarHBondContact O-CA 3.38Å; L137-V166 PolarHBondContact O-N 2.98Å
138K98.7Very high98.6Very high10 Ų1022.2 Ų22.24%0.04311%0.106CC..EExtended strand (participates in β ladder)trans-115.990.6172.5-169.3-96.7133125.30109.6L109 I110 I111 A112 E141 V166 G168 T173 L176L109-K138 HydrophobicContact CD1-CB 4.49Å; I110-K138 PolarHBondContact O-N 3.23Å; I111-K138 HydrophobicContact CG1-CB 4.31Å; I111-K138 HydrophobicContact CG2-CD 4.07Å; A112-K138 PolarHBondContact N-O 3.45Å; K138-E141 IonicContact NZ-OE2 2.75Å; K138-E141 PolarHBondContact NZ-OE2 3.36Å; K138-V166 WeakPolarHBondContact CA-O 3.37Å; K138-V166 WeakPolarHBondContact CG-O 3.47Å; K138-G168 VanDerWaalsContact CE-O 3.29Å; K138-G168 WeakPolarHBondContact CE-O 3.22Å; K138-G168 PolarHBondContact NZ-O 2.8Å; K138-T173 HydrophobicContact CD-CG2 4.39Å; K138-T173 PolarHBondContact NZ-OG1 3.25Å; K138-L176 HydrophobicContact CB-CD2 4.38Å
139P98.6Very high98.6Very high3 Ų322.8 Ų22.82%0.01911%0.109CC..  trans-66.9154.917329-35.1000111.2L137 E147 L150 V165 L167L137-P139 WeakPolarHBondContact O-CD 3.2Å; P139-E147 HydrophobicContact CB-CG 4.33Å; P139-E147 HydrophobicContact CG-CG 3.9Å; P139-L150 HydrophobicContact CB-CD1 3.86Å; P139-V165 HydrophobicContact CG-CG1 3.88Å; P139-L167 HydrophobicContact CG-CD2 3.81Å
140S98.3Very high98.5Very high11 Ų1122.5 Ų22.58%0.07711%0.108CC..  trans-74.7127-179.6170.30000112.3A112 W114 I142 S143A112-S140 WeakPolarHBondContact O-CB 3.32Å; A112-S140 PolarHBondContact O-N 3.36Å; W114-S140 WeakPolarHBondContact CB-OG 3.43Å; S140-I142 PolarHBondContact O-N 3.12Å; S140-I142 PolarHBondContact OG-N 3.21Å; S140-S143 PolarHBondContact O-N 3.3Å
141E97.3Very high98.5Very high55 Ų5523.6 Ų23.626%0.25712%0.117SC..THydrogen-bonded Turntrans-64.2-11177.771.2-80.3-170.100114.4K138 K144 E147 G169K138-E141 IonicContact NZ-OE2 2.75Å; K138-E141 PolarHBondContact NZ-OE2 3.36Å; E141-K144 VanDerWaalsContact O-CG 3.31Å; E141-K144 WeakPolarHBondContact O-CG 3.29Å; E141-E147 WeakPolarHBondContact CA-OE2 3.44Å; E141-G169 WeakPolarHBondContact OE1-CA 3.48Å
142I98.2Very high98.5Very high56 Ų5628.6 Ų28.629%0.28714%0.14SC..THydrogen-bonded Turntrans-75.9-35.3178.1-64.7170.2000111.3W114 S140 K144 I286W114-I142 HydrophobicContact CB-CB 3.82Å; W114-I142 HydrophobicContact CB-CG2 3.85Å; W114-I142 HydrophobicContact CD2-CG2 4.29Å; W114-I142 HydrophobicContact CG-CB 4.05Å; W114-I142 HydrophobicContact CG-CD1 4.28Å; W114-I142 HydrophobicContact CG-CG2 3.82Å; S140-I142 PolarHBondContact O-N 3.12Å; S140-I142 PolarHBondContact OG-N 3.21Å; I142-K144 PolarHBondContact O-N 3.22Å; I142-I286 HydrophobicContact CG2-CD1 4.09Å; I142-I286 HydrophobicContact CG2-CG1 3.31Å; I142-I286 HydrophobicContact CG2-CG2 4.42Å
143S98.1Very high98.5Very high1 Ų129.1 Ų29.11%0.00714%0.144CC..SBendtrans-97.773.2177-60.70000109.1D51 W114 S140 S145 M146 E147D51-S143 WeakPolarHBondContact OD2-CA 3.3Å; D51-S143 WeakPolarHBondContact OD2-CB 3.45Å; W114-S143 VanDerWaalsContact CA-OG 3.28Å; W114-S143 WeakPolarHBondContact CA-OG 3.31Å; W114-S143 WeakPolarHBondContact CB-OG 3.47Å; W114-S143 PolarHBondContact O-OG 2.98Å; S140-S143 PolarHBondContact O-N 3.3Å; S143-S145 PolarHBondContact O-N 2.99Å; S143-M146 PolarHBondContact O-N 3.49Å; S143-E147 VanDerWaalsContact O-CB 3.32Å; S143-E147 WeakPolarHBondContact O-CB 3.24Å; S143-E147 PolarHBondContact O-N 2.94Å
144K97.8Very high98.5Very high149 Ų14929 Ų2965%0.64814%0.143SC*.Hα-helixtrans-62-40.4-165.2-65.7178.8-179.6179.50112.8D51 E141 I142 K148D51-K144 PolarHBondContact OD1-N 3.38Å; D51-K144 VanDerWaalsContact OD1-N 3.12Å; E141-K144 VanDerWaalsContact O-CG 3.31Å; E141-K144 WeakPolarHBondContact O-CG 3.29Å; I142-K144 PolarHBondContact O-N 3.22Å; K144-K148 WeakPolarHBondContact O-CB 3.46Å; K144-K148 PolarHBondContact O-N 2.97Å
145S98.5Very high98.5Very high28 Ų2830.1 Ų30.120%0.19615%0.15CC..Hα-helixtrans-68.7-42.9-178.7-69.60000110.5Q50 D51 S143 K148 V149Q50-S145 PolarHBondContact OE1-OG 3.27Å; D51-S145 PolarHBondContact OD1-N 2.89Å; D51-S145 PolarHBondContact OD2-N 3.2Å; S143-S145 PolarHBondContact O-N 2.99Å; S145-K148 PolarHBondContact O-N 3.23Å; S145-V149 WeakPolarHBondContact O-CG2 3.42Å; S145-V149 PolarHBondContact O-N 3.4Å
146M98.6Very high98.4Very high0 Ų038.9 Ų38.90%018%0.183CC..Hα-helixtrans-68.6-41.3175.1-173.355.665.200112.5L44 A47 L48 D51 P117 L118 S143 K148 V149 L150L44-M146 HydrophobicContact CD2-CE 4.02Å; L44-M146 HydrophobicContact CD2-SD 3.91Å; A47-M146 HydrophobicContact CB-CE 3.85Å; L48-M146 HydrophobicContact CD1-CE 4.26Å; L48-M146 HydrophobicContact CD2-CE 3.88Å; L48-M146 HydrophobicContact CG-CE 3.6Å; D51-M146 PolarHBondContact OD2-N 2.9Å; P117-M146 HydrophobicContact CB-CB 4.04Å; P117-M146 HydrophobicContact CB-CG 3.77Å; P117-M146 HydrophobicContact CG-CB 3.89Å; P117-M146 HydrophobicContact CG-CG 3.82Å; L118-M146 HydrophobicContact CB-CE 4.22Å; L118-M146 HydrophobicContact CB-SD 4.3Å; L118-M146 HydrophobicContact CD1-SD 4.24Å; S143-M146 PolarHBondContact O-N 3.49Å; M146-K148 VanDerWaalsContact C-N 3.25Å; M146-K148 PolarHBondContact O-N 3.18Å; M146-V149 PolarHBondContact O-N 3.33Å; M146-V149 VanDerWaalsContact O-N 3.15Å; M146-V149 HydrophobicContact SD-CB 4.45Å; M146-L150 HydrophobicContact CG-CD1 3.98Å; M146-L150 HydrophobicContact CG-CG 4.23Å; M146-L150 WeakPolarHBondContact O-CG 3.37Å; M146-L150 PolarHBondContact O-N 2.96Å; M146-L150 HydrophobicContact SD-CD1 4.49Å; M146-L150 HydrophobicContact SD-CG 4.17Å
147E98.4Very high98.4Very high25 Ų2540.5 Ų40.512%0.11719%0.189CC..Hα-helixtrans-52.3-47.3174.7179.8-178.3-13800110.6P139 E141 S143 L150 A151 L167P139-E147 HydrophobicContact CB-CG 4.33Å; P139-E147 HydrophobicContact CG-CG 3.9Å; E141-E147 WeakPolarHBondContact CA-OE2 3.44Å; S143-E147 VanDerWaalsContact O-CB 3.32Å; S143-E147 WeakPolarHBondContact O-CB 3.24Å; S143-E147 PolarHBondContact O-N 2.94Å; E147-L150 PolarHBondContact O-N 3.26Å; E147-A151 WeakPolarHBondContact O-CB 3.47Å; E147-A151 PolarHBondContact O-N 3.09Å; E147-L167 HydrophobicContact CG-CD2 3.61Å
148K98.5Very high98.4Very high119 Ų11941.1 Ų41.152%0.51719%0.192SC..Hα-helixtrans-60.6-46.5177.7-173.2-178.6179.9-176.90112.4K144 S145 M146 L150 A151 E152K144-K148 WeakPolarHBondContact O-CB 3.46Å; K144-K148 PolarHBondContact O-N 2.97Å; S145-K148 PolarHBondContact O-N 3.23Å; M146-K148 VanDerWaalsContact C-N 3.25Å; M146-K148 PolarHBondContact O-N 3.18Å; K148-L150 VanDerWaalsContact C-N 3.34Å; K148-L150 PolarHBondContact O-N 2.93Å; K148-A151 PolarHBondContact O-N 2.87Å; K148-E152 VanDerWaalsContact CE-CD 3.41Å; K148-E152 WeakPolarHBondContact CE-OE1 3.43Å; K148-E152 WeakPolarHBondContact CE-OE2 3.3Å; K148-E152 HydrophobicContact CG-CG 4.27Å; K148-E152 WeakPolarHBondContact CG-OE1 3.23Å; K148-E152 WeakPolarHBondContact O-CB 3.3Å; K148-E152 WeakPolarHBondContact O-CG 3.46Å; K148-E152 PolarHBondContact O-N 2.92Å
149V98.7Very high98.4Very high11 Ų1142.1 Ų42.17%0.06720%0.199CC..Hα-helixtrans-61.8-44.5178.3175.50000110.7F36 L43 L44 A47 S145 M146 A151 V153 L154F36-V149 HydrophobicContact CE2-CG1 4.28Å; F36-V149 HydrophobicContact CZ-CG1 4.2Å; L43-V149 HydrophobicContact CD1-CG2 4.05Å; L43-V149 HydrophobicContact CD2-CG1 4.02Å; L43-V149 HydrophobicContact CD2-CG2 4.09Å; L43-V149 HydrophobicContact CG-CG1 4.25Å; L43-V149 HydrophobicContact CG-CG2 3.83Å; L44-V149 HydrophobicContact CD2-CG1 3.84Å; A47-V149 HydrophobicContact CB-CG2 4.11Å; S145-V149 WeakPolarHBondContact O-CG2 3.42Å; S145-V149 PolarHBondContact O-N 3.4Å; M146-V149 PolarHBondContact O-N 3.33Å; M146-V149 VanDerWaalsContact O-N 3.15Å; M146-V149 HydrophobicContact SD-CB 4.45Å; V149-A151 VanDerWaalsContact C-N 3.31Å; V149-A151 PolarHBondContact O-N 2.87Å; V149-V153 HydrophobicContact CG1-CB 4.31Å; V149-V153 HydrophobicContact CG1-CG2 4.3Å; V149-V153 VanDerWaalsContact O-CB 3.25Å; V149-V153 WeakPolarHBondContact O-CB 3.41Å; V149-V153 PolarHBondContact O-N 3.29Å; V149-L154 PolarHBondContact O-N 3.25Å
150L98.7Very high98.4Very high1 Ų147.8 Ų47.81%0.00523%0.225CC..Hα-helixtrans-63.6-36.1176.9-67.7173.3000111.9F36 L118 T121 P139 M146 E147 K148 L154 P155F36-L150 HydrophobicContact CE1-CD2 4.4Å; F36-L150 HydrophobicContact CZ-CD2 4.22Å; L118-L150 HydrophobicContact CD1-CD2 4.25Å; T121-L150 HydrophobicContact CG2-CD1 3.84Å; T121-L150 HydrophobicContact CG2-CD2 4.13Å; P139-L150 HydrophobicContact CB-CD1 3.86Å; M146-L150 HydrophobicContact CG-CD1 3.98Å; M146-L150 HydrophobicContact CG-CG 4.23Å; M146-L150 WeakPolarHBondContact O-CG 3.37Å; M146-L150 PolarHBondContact O-N 2.96Å; M146-L150 HydrophobicContact SD-CD1 4.49Å; M146-L150 HydrophobicContact SD-CG 4.17Å; E147-L150 PolarHBondContact O-N 3.26Å; K148-L150 VanDerWaalsContact C-N 3.34Å; K148-L150 PolarHBondContact O-N 2.93Å; L150-L154 HydrophobicContact CD2-CD2 4.01Å; L150-L154 VanDerWaalsContact O-CB 3.28Å; L150-L154 WeakPolarHBondContact O-CB 3.4Å; L150-P155 WeakPolarHBondContact O-CD 3.28Å
151A98.4Very high98.3Very high24 Ų2448.9 Ų48.920%0.19823%0.232CC..Hα-helixtrans-74.4-42.6179.100000113.5E147 K148 V149 P155 V165 L167E147-A151 WeakPolarHBondContact O-CB 3.47Å; E147-A151 PolarHBondContact O-N 3.09Å; K148-A151 PolarHBondContact O-N 2.87Å; V149-A151 VanDerWaalsContact C-N 3.31Å; V149-A151 PolarHBondContact O-N 2.87Å; A151-P155 WeakPolarHBondContact O-CD 3.48Å; A151-P155 VanDerWaalsContact O-CG 3.31Å; A151-P155 WeakPolarHBondContact O-CG 3.47Å; A151-V165 HydrophobicContact CB-CG1 4.3Å; A151-L167 HydrophobicContact CB-CD1 3.92Å; A151-L167 HydrophobicContact CB-CD2 3.96Å; A151-L167 HydrophobicContact CB-CG 4.29Å
152E98.3Very high98.4Very high104 Ų10446.4 Ų46.449%0.48622%0.221SC..Hα-helixtrans-96.2-24.9-167.9-65.9-179.8-175.200113.8K148 R156K148-E152 VanDerWaalsContact CE-CD 3.41Å; K148-E152 WeakPolarHBondContact CE-OE1 3.43Å; K148-E152 WeakPolarHBondContact CE-OE2 3.3Å; K148-E152 HydrophobicContact CG-CG 4.27Å; K148-E152 WeakPolarHBondContact CG-OE1 3.23Å; K148-E152 WeakPolarHBondContact O-CB 3.3Å; K148-E152 WeakPolarHBondContact O-CG 3.46Å; K148-E152 PolarHBondContact O-N 2.92Å; E152-R156 PolarHBondContact O-NE 3.18Å; E152-R156 PolarHBondContact O-NH2 2.99Å; E152-R156 VanDerWaalsContact O-NH2 3.11Å
153V98.8Very high98.4Very high13 Ų1343.9 Ų43.98%0.07921%0.208CC..THydrogen-bonded Turntrans-111-47.4-170.6-173.70000111.7F36 N40 L43 V149 P155 R156 Y157F36-V153 HydrophobicContact CD2-CG1 4.11Å; F36-V153 HydrophobicContact CE2-CB 4.12Å; F36-V153 HydrophobicContact CE2-CG1 3.9Å; N40-V153 WeakPolarHBondContact OD1-CG1 3.36Å; L43-V153 HydrophobicContact CD2-CG2 4.06Å; V149-V153 HydrophobicContact CG1-CB 4.31Å; V149-V153 HydrophobicContact CG1-CG2 4.3Å; V149-V153 VanDerWaalsContact O-CB 3.25Å; V149-V153 WeakPolarHBondContact O-CB 3.41Å; V149-V153 PolarHBondContact O-N 3.29Å; V153-P155 VanDerWaalsContact C-CD 3.45Å; V153-R156 WeakPolarHBondContact O-CB 3.36Å; V153-R156 WeakPolarHBondContact O-CG 3.43Å; V153-R156 PolarHBondContact O-N 2.93Å; V153-R156 VanDerWaalsContact O-N 3.11Å; V153-Y157 HydrophobicContact CG1-CE2 4Å; V153-Y157 WeakPolarHBondContact O-CD2 3.33Å
154L98.7Very high98.4Very high0 Ų044.3 Ų44.30%021%0.211CC..G310 helixtrans-55.4-40.6-177.5-179.360.5000113.9L33 F36 L122 L125 L137 V149 L150 R156 Y157 L158 F163L33-L154 HydrophobicContact CD2-CD1 3.67Å; F36-L154 HydrophobicContact CB-CD1 4.28Å; F36-L154 HydrophobicContact CD1-CD1 3.73Å; F36-L154 HydrophobicContact CD2-CB 4.4Å; F36-L154 HydrophobicContact CD2-CD1 4.15Å; F36-L154 HydrophobicContact CE1-CD1 4.03Å; F36-L154 HydrophobicContact CE2-CB 4.08Å; F36-L154 HydrophobicContact CE2-CD1 4.43Å; F36-L154 HydrophobicContact CG-CD1 3.78Å; F36-L154 HydrophobicContact CZ-CB 4.21Å; F36-L154 HydrophobicContact CZ-CD1 4.36Å; L122-L154 HydrophobicContact CD2-CD2 4.34Å; L125-L154 HydrophobicContact CD2-CD2 4.23Å; L137-L154 HydrophobicContact CD2-CD2 3.96Å; V149-L154 PolarHBondContact O-N 3.25Å; L150-L154 HydrophobicContact CD2-CD2 4.01Å; L150-L154 VanDerWaalsContact O-CB 3.28Å; L150-L154 WeakPolarHBondContact O-CB 3.4Å; L154-R156 PolarHBondContact O-N 2.85Å; L154-R156 VanDerWaalsContact O-N 3.11Å; L154-Y157 PolarHBondContact O-N 2.98Å; L154-L158 HydrophobicContact CD1-CD1 4.15Å; L154-L158 HydrophobicContact CG-CD1 4.2Å; L154-F163 HydrophobicContact CD2-CE1 4.2Å; L154-F163 HydrophobicContact CD2-CZ 3.67Å; L154-F163 HydrophobicContact CG-CE1 4.11Å; L154-F163 HydrophobicContact CG-CZ 4.08Å
155P98.5Very high98.4Very high22 Ų2238.7 Ų38.714%0.14319%0.19CC..G310 helixtrans-58.8-26.1179.4-27.237.2000114.2L150 A151 V153 Y157 L158 E160 F163 V165L150-P155 WeakPolarHBondContact O-CD 3.28Å; A151-P155 WeakPolarHBondContact O-CD 3.48Å; A151-P155 VanDerWaalsContact O-CG 3.31Å; A151-P155 WeakPolarHBondContact O-CG 3.47Å; V153-P155 VanDerWaalsContact C-CD 3.45Å; P155-Y157 PolarHBondContact O-N 2.75Å; P155-Y157 VanDerWaalsContact O-N 3.14Å; P155-L158 PolarHBondContact O-N 3.42Å; P155-L158 VanDerWaalsContact O-O 3.04Å; P155-E160 HydrophobicContact CB-CG 4.28Å; P155-F163 HydrophobicContact CG-CE1 4.37Å; P155-V165 HydrophobicContact CG-CG2 4.26Å
156R98.4Very high98.4Very high184 Ų18438 Ų3869%0.69418%0.184SC*.G310 helixtrans-66.1-16.4178.6-53.3177.2-165.5-175.31.7113.3E152 V153 L154E152-R156 PolarHBondContact O-NE 3.18Å; E152-R156 PolarHBondContact O-NH2 2.99Å; E152-R156 VanDerWaalsContact O-NH2 3.11Å; V153-R156 WeakPolarHBondContact O-CB 3.36Å; V153-R156 WeakPolarHBondContact O-CG 3.43Å; V153-R156 PolarHBondContact O-N 2.93Å; V153-R156 VanDerWaalsContact O-N 3.11Å; L154-R156 PolarHBondContact O-N 2.85Å; L154-R156 VanDerWaalsContact O-N 3.11Å
157Y98.8Very high98.3Very high35 Ų3541.8 Ų41.814%0.13720%0.204CC..G310 helixtrans-103.9-10.9-176.4-68.4-89.1000113.5G32 R35 F36 E39 N40 V153 L154 P155G32-Y157 WeakPolarHBondContact CA-O 3.38Å; R35-Y157 HydrophobicContact CB-CD1 3.76Å; R35-Y157 HydrophobicContact CB-CE1 3.79Å; F36-Y157 HydrophobicContact CB-CD1 4.08Å; F36-Y157 HydrophobicContact CB-CD2 3.81Å; F36-Y157 HydrophobicContact CB-CE1 4.49Å; F36-Y157 HydrophobicContact CB-CE2 4.25Å; F36-Y157 HydrophobicContact CB-CG 3.72Å; F36-Y157 AromaticContact CD2-CD2 3.84Å; F36-Y157 HydrophobicContact CD2-CD2 3.84Å; F36-Y157 AromaticContact CD2-CE2 3.96Å; F36-Y157 HydrophobicContact CD2-CE2 3.96Å; F36-Y157 HydrophobicContact CG-CD2 4.29Å; E39-Y157 WeakPolarHBondContact OE2-CE1 3.01Å; E39-Y157 VanDerWaalsContact OE2-CZ 3.32Å; E39-Y157 PolarHBondContact OE2-OH 2.84Å; N40-Y157 WeakPolarHBondContact ND2-CE2 3.25Å; N40-Y157 PolarHBondContact ND2-OH 3.36Å; V153-Y157 HydrophobicContact CG1-CE2 4Å; V153-Y157 WeakPolarHBondContact O-CD2 3.33Å; L154-Y157 PolarHBondContact O-N 2.98Å; P155-Y157 PolarHBondContact O-N 2.75Å; P155-Y157 VanDerWaalsContact O-N 3.14Å
158L98.7Very high98Very high12 Ų1241.3 Ų41.36%0.06321%0.206CC..SBendtrans-120.1158.4-175-61.5-179.1000110.6Q29 L33 L125 L129 L154 P155 E160 F163Q29-L158 HydrophobicContact CB-CD2 4.21Å; Q29-L158 WeakPolarHBondContact O-CD2 3.19Å; L33-L158 HydrophobicContact CD2-CD1 3.95Å; L33-L158 HydrophobicContact CD2-CD2 3.9Å; L33-L158 HydrophobicContact CD2-CG 4.27Å; L33-L158 HydrophobicContact CG-CD2 4.13Å; L125-L158 HydrophobicContact CD2-CD1 4.33Å; L129-L158 HydrophobicContact CD1-CD2 4.28Å; L154-L158 HydrophobicContact CD1-CD1 4.15Å; L154-L158 HydrophobicContact CG-CD1 4.2Å; P155-L158 PolarHBondContact O-N 3.42Å; P155-L158 VanDerWaalsContact O-O 3.04Å; L158-E160 PolarHBondContact O-N 2.71Å; L158-E160 VanDerWaalsContact O-N 3.08Å; L158-F163 HydrophobicContact CB-CB 4.2Å; L158-F163 HydrophobicContact CB-CD1 4.02Å; L158-F163 HydrophobicContact CB-CG 4.19Å; L158-F163 HydrophobicContact CD1-CB 4.35Å; L158-F163 HydrophobicContact CD1-CD1 3.64Å; L158-F163 HydrophobicContact CD1-CD2 3.76Å; L158-F163 HydrophobicContact CD1-CE1 3.76Å; L158-F163 HydrophobicContact CD1-CE2 3.89Å; L158-F163 HydrophobicContact CD1-CG 3.63Å; L158-F163 HydrophobicContact CD1-CZ 3.88Å; L158-F163 HydrophobicContact CG-CD1 4.44Å
159D98.3Very high97.8Very high32 Ų3236.3 Ų36.317%0.17119%0.188CC..  trans-73.1103.1173.9-170.8-42.1000109R19 F25 S161 C162 F163R19-D159 IonicContact CZ-OD2 3.87Å; R19-D159 VanDerWaalsContact CZ-OD2 3.24Å; R19-D159 IonicContact NE-OD2 3.86Å; R19-D159 PolarHBondContact NE-OD2 3.38Å; R19-D159 IonicContact NH2-OD2 3.86Å; R19-D159 PolarHBondContact NH2-OD2 3.17Å; F25-D159 HydrophobicContact CE2-CB 4.02Å; F25-D159 WeakPolarHBondContact CE2-OD2 3.16Å; F25-D159 HydrophobicContact CZ-CB 3.91Å; D159-S161 PolarHBondContact O-N 3.26Å; D159-S161 VanDerWaalsContact O-N 3.07Å; D159-S161 VanDerWaalsContact OD1-CB 3.22Å; D159-S161 WeakPolarHBondContact OD1-CB 3.17Å; D159-S161 PolarHBondContact OD1-N 3.08Å; D159-S161 PolarHBondContact OD1-OG 3.34Å; D159-C162 PolarHBondContact O-N 2.84Å; D159-F163 PolarHBondContact O-N 3.1Å; D159-F163 VanDerWaalsContact O-N 3.11Å
160E97.8Very high97.6Very high121 Ų12141 Ų4157%0.56522%0.219SC*.THydrogen-bonded Turntrans-57.6-23.6-177.9-68.3-175.3-122.900112.8R10 P155 L158 C162R10-E160 VanDerWaalsContact CZ-O 3.27Å; R10-E160 PolarHBondContact NH1-O 3.4Å; R10-E160 PolarHBondContact NH2-O 2.85Å; P155-E160 HydrophobicContact CB-CG 4.28Å; L158-E160 PolarHBondContact O-N 2.71Å; L158-E160 VanDerWaalsContact O-N 3.08Å; E160-C162 PolarHBondContact O-N 3.14Å
161S97.4Very high97.6Very high34 Ų3447.5 Ų47.524%0.23825%0.249CC..THydrogen-bonded Turntrans-65.1-23.3174.674.60000113R10 L11 A14 D159R10-S161 PolarHBondContact NH1-O 3.25Å; L11-S161 WeakPolarHBondContact CD2-O 3.49Å; A14-S161 WeakPolarHBondContact CB-O 3.34Å; D159-S161 PolarHBondContact O-N 3.26Å; D159-S161 VanDerWaalsContact O-N 3.07Å; D159-S161 VanDerWaalsContact OD1-CB 3.22Å; D159-S161 WeakPolarHBondContact OD1-CB 3.17Å; D159-S161 PolarHBondContact OD1-N 3.08Å; D159-S161 PolarHBondContact OD1-OG 3.34Å
162C98.1Very high97.5Very high3 Ų349.8 Ų49.82%0.0226%0.256CS..THydrogen-bonded Turntrans-117.6-3.4-175.2-640000113.7T20 F25 C134 V135 D159 E160T20-C162 HydrophobicContact CG2-CB 4.16Å; F25-C162 HydrophobicContact CZ-CB 4.2Å; C134-C162 CarbonylContact C-O 3.56Å; C134-C162 WeakPolarHBondContact CA-O 3.37Å; C134-C162 WeakPolarHBondContact CB-O 3.46Å; V135-C162 PolarHBondContact N-O 3.25Å; D159-C162 PolarHBondContact O-N 2.84Å; E160-C162 PolarHBondContact O-N 3.14Å
163F98.8Very high97.5Very high3 Ų345.7 Ų45.71%0.01324%0.238CC..EExtended strand (participates in β ladder)trans-137.4140.3-178.7175.6-100.4000111L11 L125 V135 L137 L154 P155 L158 D159 V165L11-F163 VanDerWaalsContact CD2-N 3.3Å; L125-F163 HydrophobicContact CD1-CD2 4.08Å; L125-F163 HydrophobicContact CD1-CE2 3.83Å; L125-F163 HydrophobicContact CD2-CE2 3.95Å; L125-F163 HydrophobicContact CD2-CZ 4.43Å; V135-F163 HydrophobicContact CB-CD2 4.21Å; V135-F163 WeakPolarHBondContact O-CA 3.23Å; L137-F163 HydrophobicContact CB-CE2 3.96Å; L137-F163 HydrophobicContact CB-CZ 4.12Å; L137-F163 HydrophobicContact CD2-CE2 4.24Å; L137-F163 HydrophobicContact CD2-CZ 3.91Å; L154-F163 HydrophobicContact CD2-CE1 4.2Å; L154-F163 HydrophobicContact CD2-CZ 3.67Å; L154-F163 HydrophobicContact CG-CE1 4.11Å; L154-F163 HydrophobicContact CG-CZ 4.08Å; P155-F163 HydrophobicContact CG-CE1 4.37Å; L158-F163 HydrophobicContact CB-CB 4.2Å; L158-F163 HydrophobicContact CB-CD1 4.02Å; L158-F163 HydrophobicContact CB-CG 4.19Å; L158-F163 HydrophobicContact CD1-CB 4.35Å; L158-F163 HydrophobicContact CD1-CD1 3.64Å; L158-F163 HydrophobicContact CD1-CD2 3.76Å; L158-F163 HydrophobicContact CD1-CE1 3.76Å; L158-F163 HydrophobicContact CD1-CE2 3.89Å; L158-F163 HydrophobicContact CD1-CG 3.63Å; L158-F163 HydrophobicContact CD1-CZ 3.88Å; L158-F163 HydrophobicContact CG-CD1 4.44Å; D159-F163 PolarHBondContact O-N 3.1Å; D159-F163 VanDerWaalsContact O-N 3.11Å; F163-V165 HydrophobicContact CE1-CG2 3.6Å; F163-V165 HydrophobicContact CZ-CG2 3.62Å
164A98.6Very high97.4Very high10 Ų1046.7 Ų46.78%0.08325%0.251CS..EExtended strand (participates in β ladder)trans-145.8151.4170.600000111.3T7 L11 V135 V136 L137T7-A164 HydrophobicContact CG2-CB 3.53Å; L11-A164 HydrophobicContact CD1-CB 3.95Å; V135-A164 PolarHBondContact O-N 3.44Å; V136-A164 WeakPolarHBondContact CA-O 3.5Å; L137-A164 PolarHBondContact N-O 3.35Å
165V98.7Very high97.3Very high32 Ų3250.3 Ų50.319%0.19427%0.268CS..EExtended strand (participates in β ladder)trans-107.3130.1169.1-173.60000108.4L137 P139 A151 P155 F163 L167L137-V165 HydrophobicContact CB-CG2 4.42Å; L137-V165 HydrophobicContact CD2-CG2 4.28Å; L137-V165 CarbonylContact O-C 3.57Å; L137-V165 WeakPolarHBondContact O-CA 3.38Å; P139-V165 HydrophobicContact CG-CG1 3.88Å; A151-V165 HydrophobicContact CB-CG1 4.3Å; P155-V165 HydrophobicContact CG-CG2 4.26Å; F163-V165 HydrophobicContact CE1-CG2 3.6Å; F163-V165 HydrophobicContact CZ-CG2 3.62Å; V165-L167 HydrophobicContact CG1-CD2 3.93Å
166V97.9Very high97.3Very high13 Ų1349.3 Ų49.38%0.07926%0.261CS..  trans-117.4124.8176.71720000108.4F4 V136 L137 K138 L176F4-V166 HydrophobicContact CD1-CG1 3.74Å; F4-V166 HydrophobicContact CD1-CG2 4.3Å; F4-V166 HydrophobicContact CE1-CG1 3.26Å; F4-V166 HydrophobicContact CZ-CG1 3.96Å; V136-V166 HydrophobicContact CG1-CB 4.19Å; V136-V166 HydrophobicContact CG1-CG2 3.73Å; L137-V166 PolarHBondContact O-N 2.98Å; K138-V166 WeakPolarHBondContact CA-O 3.37Å; K138-V166 WeakPolarHBondContact CG-O 3.47Å; V166-L176 HydrophobicContact CB-CD2 4.39Å; V166-L176 HydrophobicContact CG1-CD2 4.11Å
167L96.9Very high97.3Very high79 Ų7940.9 Ų40.941%0.41423%0.23SC..  trans-98.3157.4179.3-54.7-172.7000110.9P139 E147 A151 V165P139-L167 HydrophobicContact CG-CD2 3.81Å; E147-L167 HydrophobicContact CG-CD2 3.61Å; A151-L167 HydrophobicContact CB-CD1 3.92Å; A151-L167 HydrophobicContact CB-CD2 3.96Å; A151-L167 HydrophobicContact CB-CG 4.29Å; V165-L167 HydrophobicContact CG1-CD2 3.93Å
168G91.5Very high97.3Very high16 Ų1645.3 Ų45.317%0.16525%0.252CS..  trans140.9164170.800000112.9K138K138-G168 VanDerWaalsContact CE-O 3.29Å; K138-G168 WeakPolarHBondContact CE-O 3.22Å; K138-G168 PolarHBondContact NZ-O 2.8Å
169G94.5Very high97.3Very high13 Ų1346.4 Ų46.413%0.13426%0.257CS..  trans-86-154.3-177.500000113.6E141 Q171 E172 T173E141-G169 WeakPolarHBondContact OE1-CA 3.48Å; G169-Q171 VanDerWaalsContact C-N 3.27Å; G169-Q171 PolarHBondContact O-N 3.48Å; G169-E172 WeakPolarHBondContact CA-OE2 3.35Å; G169-E172 PolarHBondContact N-OE2 3.35Å; G169-E172 PolarHBondContact O-N 2.84Å; G169-T173 WeakPolarHBondContact O-CB 3.25Å; G169-T173 PolarHBondContact O-N 2.84Å; G169-T173 PolarHBondContact O-OG1 3.45Å
170P95.1Very high97.3Very high110 Ų11052 Ų5271%0.71428%0.275SS*.Hα-helixtrans-59.7-34.2-180-27.136.3000114G174P170-G174 PolarHBondContact O-N 2.92Å
171Q96.7Very high97.3Very high138 Ų13846.3 Ų46.365%0.64525%0.249SC*.Hα-helixtrans-68.9-50.9-179-179.9176.5-4.400111.2G169 T173 G174 Q175G169-Q171 VanDerWaalsContact C-N 3.27Å; G169-Q171 PolarHBondContact O-N 3.48Å; Q171-T173 VanDerWaalsContact C-N 3.33Å; Q171-T173 PolarHBondContact O-N 3.49Å; Q171-G174 PolarHBondContact O-N 3.21Å; Q171-G174 VanDerWaalsContact O-N 3.16Å; Q171-Q175 PolarHBondContact O-N 3.32Å
172E97Very high97.4Very high72 Ų7246.7 Ų46.734%0.33625%0.248SC..Hα-helixtrans-64.6-39.6178.4-64.277.2-168.700110.9F4 G169 G174 Q175 L176F4-E172 HydrophobicContact CZ-CB 4.23Å; G169-E172 WeakPolarHBondContact CA-OE2 3.35Å; G169-E172 PolarHBondContact N-OE2 3.35Å; G169-E172 PolarHBondContact O-N 2.84Å; E172-G174 VanDerWaalsContact C-N 3.3Å; E172-G174 PolarHBondContact O-N 3.04Å; E172-Q175 PolarHBondContact O-N 2.82Å; E172-L176 WeakPolarHBondContact O-CB 3.47Å; E172-L176 PolarHBondContact O-N 3.17Å
173T97.4Very high97.4Very high18 Ų1847.5 Ų47.511%0.1125%0.251CS..Hα-helixtrans-63-39174.2-520000111I111 K138 G169 Q171 L176 L177I111-T173 HydrophobicContact CD1-CG2 4.12Å; K138-T173 HydrophobicContact CD-CG2 4.39Å; K138-T173 PolarHBondContact NZ-OG1 3.25Å; G169-T173 WeakPolarHBondContact O-CB 3.25Å; G169-T173 PolarHBondContact O-N 2.84Å; G169-T173 PolarHBondContact O-OG1 3.45Å; Q171-T173 VanDerWaalsContact C-N 3.33Å; Q171-T173 PolarHBondContact O-N 3.49Å; T173-L176 PolarHBondContact O-N 3.17Å; T173-L177 HydrophobicContact CG2-CD1 4.14Å; T173-L177 WeakPolarHBondContact O-CB 3.28Å; T173-L177 VanDerWaalsContact O-CG 3.27Å; T173-L177 WeakPolarHBondContact O-CG 3.07Å; T173-L177 PolarHBondContact O-N 3.37Å
174G97.3Very high97.4Very high34 Ų3447.5 Ų47.535%0.35125%0.251SS..Hα-helixtrans-60.5-47.4174.600000112.3P170 Q171 E172 L177 E178P170-G174 PolarHBondContact O-N 2.92Å; Q171-G174 PolarHBondContact O-N 3.21Å; Q171-G174 VanDerWaalsContact O-N 3.16Å; E172-G174 VanDerWaalsContact C-N 3.3Å; E172-G174 PolarHBondContact O-N 3.04Å; G174-L177 PolarHBondContact O-N 3.4Å; G174-E178 PolarHBondContact O-N 2.95Å
175Q97.5Very high97.5Very high75 Ų7547 Ų4735%0.3525%0.247SC..Hα-helixtrans-62.6-43.9174.8-70.7176.2-8.100111.9F4 Q171 E172 L177 E178F4-Q175 HydrophobicContact CE2-CB 3.9Å; Q171-Q175 PolarHBondContact O-N 3.32Å; E172-Q175 PolarHBondContact O-N 2.82Å; Q175-L177 VanDerWaalsContact C-N 3.27Å; Q175-L177 PolarHBondContact O-N 3.49Å; Q175-E178 WeakPolarHBondContact O-CB 3.44Å; Q175-E178 PolarHBondContact O-N 3.08Å; Q175-E178 VanDerWaalsContact O-N 3.08Å
176L98.3Very high97.5Very high1 Ų146 Ų461%0.00524%0.24CC..Hα-helixtrans-58.6-41.6177.5-175.862.8000111.2F4 L8 L109 V136 K138 V166 E172 T173 E178 H179 F181F4-L176 HydrophobicContact CB-CD1 4.27Å; F4-L176 HydrophobicContact CD1-CD1 4.34Å; F4-L176 HydrophobicContact CD2-CB 4.16Å; F4-L176 HydrophobicContact CD2-CD1 3.97Å; F4-L176 HydrophobicContact CE2-CB 3.91Å; F4-L176 HydrophobicContact CE2-CD1 4.42Å; F4-L176 HydrophobicContact CG-CD1 3.92Å; F4-L176 HydrophobicContact CZ-CB 4.43Å; L8-L176 HydrophobicContact CD1-CD1 4.47Å; L109-L176 HydrophobicContact CD1-CD2 3.71Å; L109-L176 HydrophobicContact CD1-CG 4.44Å; L109-L176 HydrophobicContact CD2-CD2 4.31Å; L109-L176 HydrophobicContact CD2-CG 4.42Å; V136-L176 HydrophobicContact CG1-CD2 4.4Å; K138-L176 HydrophobicContact CB-CD2 4.38Å; V166-L176 HydrophobicContact CB-CD2 4.39Å; V166-L176 HydrophobicContact CG1-CD2 4.11Å; E172-L176 WeakPolarHBondContact O-CB 3.47Å; E172-L176 PolarHBondContact O-N 3.17Å; T173-L176 PolarHBondContact O-N 3.17Å; L176-E178 PolarHBondContact O-N 3.31Å; L176-H179 WeakPolarHBondContact O-CB 3.28Å; L176-H179 PolarHBondContact O-N 3.42Å; L176-H179 VanDerWaalsContact O-N 3.14Å; L176-F181 HydrophobicContact CD1-CE2 4.45Å; L176-F181 HydrophobicContact CD1-CZ 3.94Å; L176-F181 HydrophobicContact CG-CE2 4.38Å; L176-F181 HydrophobicContact CG-CZ 4.2Å; L176-F181 WeakPolarHBondContact O-CE2 3.4Å
177L98.4Very high97.5Very high8 Ų845.9 Ų45.94%0.04224%0.239CC..THydrogen-bonded Turntrans-69.8-9.7178.7-75.2170.1000114.4L109 I111 T173 G174 Q175 I184 V196 A199L109-L177 HydrophobicContact CD2-CD2 3.86Å; I111-L177 HydrophobicContact CD1-CD2 4.16Å; T173-L177 HydrophobicContact CG2-CD1 4.14Å; T173-L177 WeakPolarHBondContact O-CB 3.28Å; T173-L177 VanDerWaalsContact O-CG 3.27Å; T173-L177 WeakPolarHBondContact O-CG 3.07Å; T173-L177 PolarHBondContact O-N 3.37Å; G174-L177 PolarHBondContact O-N 3.4Å; Q175-L177 VanDerWaalsContact C-N 3.27Å; Q175-L177 PolarHBondContact O-N 3.49Å; L177-I184 HydrophobicContact CD2-CD1 4Å; L177-V196 HydrophobicContact CD1-CG2 4.09Å; L177-V196 HydrophobicContact CD2-CG1 4.27Å; L177-A199 HydrophobicContact CB-CB 3.8Å; L177-A199 HydrophobicContact CD1-CB 4.47Å
178E97.8Very high97.6Very high127 Ų12743.2 Ų43.259%0.59323%0.231SC*.THydrogen-bonded Turntrans-72.4-21170.7-62.1-177160.500111.9G174 Q175 L176 H203G174-E178 PolarHBondContact O-N 2.95Å; Q175-E178 WeakPolarHBondContact O-CB 3.44Å; Q175-E178 PolarHBondContact O-N 3.08Å; Q175-E178 VanDerWaalsContact O-N 3.08Å; L176-E178 PolarHBondContact O-N 3.31Å; E178-H203 PolarHBondContact O-NE2 3.06Å
179H98.4Very high97.8Very high36 Ų3644.7 Ų44.717%0.16724%0.239CC..SBendtrans-78.7152.7178-69.6-85.8000113D2 L8 L176 F181D2-H179 IonicContact OD1-CE1 3.22Å; D2-H179 IonicContact OD1-NE2 2.97Å; D2-H179 PolarHBondContact OD1-NE2 3.16Å; D2-H179 IonicContact OD2-CE1 2.66Å; D2-H179 PolarHBondContact OD2-CE1 3.32Å; D2-H179 IonicContact OD2-NE2 2.66Å; D2-H179 PolarHBondContact OD2-NE2 2.86Å; L8-H179 HydrophobicContact CD1-CB 3.58Å; L8-H179 WeakPolarHBondContact CD1-ND1 3.25Å; L176-H179 WeakPolarHBondContact O-CB 3.28Å; L176-H179 PolarHBondContact O-N 3.42Å; L176-H179 VanDerWaalsContact O-N 3.14Å; H179-F181 HydrophobicContact CB-CE2 4.04Å; H179-F181 WeakPolarHBondContact O-CD2 3.41Å; H179-F181 PolarHBondContact O-N 3.01Å
180R98.4Very high98Very high148 Ų14846 Ų4656%0.55825%0.245SC*.  trans-77.4111.7179.7177.7174.9175.6174.91.6111.8R12 H203R12-R180 PolarHBondContact NH1-O 2.79Å; R12-R180 PolarHBondContact NH2-O 3.09Å; R180-H203 HydrophobicContact CG-CB 4.21Å
181F98.9Very high98.1Very high2 Ų249.5 Ų49.51%0.00924%0.244CC..  trans-100.8153.4166.7-66.9-85000110.5L8 L107 L109 V136 L176 H179 Y183 I184 T205L8-F181 HydrophobicContact CD2-CE1 3.96Å; L8-F181 HydrophobicContact CD2-CZ 3.91Å; L107-F181 HydrophobicContact CD2-CD1 4.06Å; L107-F181 HydrophobicContact CD2-CE1 3.96Å; L107-F181 HydrophobicContact CG-CD1 3.89Å; L107-F181 HydrophobicContact CG-CE1 4.07Å; L109-F181 HydrophobicContact CB-CB 4.42Å; L109-F181 HydrophobicContact CB-CD1 3.57Å; L109-F181 HydrophobicContact CB-CD2 4.05Å; L109-F181 HydrophobicContact CB-CE1 3.74Å; L109-F181 HydrophobicContact CB-CE2 4.2Å; L109-F181 HydrophobicContact CB-CG 3.73Å; L109-F181 HydrophobicContact CB-CZ 4.05Å; L109-F181 HydrophobicContact CD1-CE1 4.47Å; L109-F181 HydrophobicContact CD1-CZ 4.3Å; L109-F181 HydrophobicContact CD2-CD2 3.99Å; L109-F181 HydrophobicContact CD2-CE2 3.74Å; L109-F181 HydrophobicContact CD2-CZ 4.06Å; L109-F181 HydrophobicContact CG-CE1 4.48Å; L109-F181 HydrophobicContact CG-CE2 4.46Å; L109-F181 HydrophobicContact CG-CZ 4.37Å; V136-F181 HydrophobicContact CB-CE1 4.14Å; V136-F181 HydrophobicContact CG2-CE1 3.96Å; L176-F181 HydrophobicContact CD1-CE2 4.45Å; L176-F181 HydrophobicContact CD1-CZ 3.94Å; L176-F181 HydrophobicContact CG-CE2 4.38Å; L176-F181 HydrophobicContact CG-CZ 4.2Å; L176-F181 WeakPolarHBondContact O-CE2 3.4Å; H179-F181 HydrophobicContact CB-CE2 4.04Å; H179-F181 WeakPolarHBondContact O-CD2 3.41Å; H179-F181 PolarHBondContact O-N 3.01Å; F181-Y183 VanDerWaalsContact C-N 3.34Å; F181-I184 HydrophobicContact CB-CD1 4.35Å; F181-I184 HydrophobicContact CB-CG1 3.8Å; F181-I184 HydrophobicContact CD2-CD1 4.43Å; F181-I184 HydrophobicContact CD2-CG1 4.34Å; F181-I184 HydrophobicContact CG-CG1 4.28Å; F181-T205 HydrophobicContact CB-CG2 4.22Å; F181-T205 WeakPolarHBondContact O-CB 3.44Å; F181-T205 WeakPolarHBondContact O-CG2 3.41Å; F181-T205 PolarHBondContact O-OG1 3.18Å
182D98.9Very high98.2Very high42 Ų4245.1 Ų45.123%0.22523%0.226CC..SBendtrans-84.6-18.6173.7-57.4-64000111F105 G106 L107 P206F105-D182 HydrophobicContact CB-CB 3.9Å; G106-D182 WeakPolarHBondContact CA-OD2 3.35Å; L107-D182 PolarHBondContact N-OD2 3.4Å; L107-D182 PolarHBondContact O-N 2.93Å; D182-P206 WeakPolarHBondContact O-CD 3.41Å; D182-P206 WeakPolarHBondContact O-CG 3.42Å
183Y98.9Very high98.3Very high21 Ų2141.8 Ų41.88%0.08221%0.211CC..EExtended strand (participates in β ladder)trans-155.5145.4168-150.1-82.4000110.8F105 V108 L109 F181 P206 T208 T421 F422F105-Y183 HydrophobicContact CD1-CD2 4.32Å; F105-Y183 AromaticContact CD2-CD2 3.51Å; F105-Y183 HydrophobicContact CD2-CD2 3.51Å; F105-Y183 HydrophobicContact CD2-CE2 4.19Å; F105-Y183 HydrophobicContact CD2-CG 4.32Å; F105-Y183 HydrophobicContact CE1-CD2 4.23Å; F105-Y183 AromaticContact CE2-CD2 3.4Å; F105-Y183 HydrophobicContact CE2-CD2 3.4Å; F105-Y183 VanDerWaalsContact CE2-CD2 3.4Å; F105-Y183 AromaticContact CE2-CE2 3.62Å; F105-Y183 HydrophobicContact CE2-CE2 3.62Å; F105-Y183 AromaticContact CG-CD2 3.99Å; F105-Y183 HydrophobicContact CG-CD2 3.99Å; F105-Y183 AromaticContact CZ-CD2 3.79Å; F105-Y183 HydrophobicContact CZ-CD2 3.79Å; F105-Y183 AromaticContact CZ-CE2 3.89Å; F105-Y183 HydrophobicContact CZ-CE2 3.89Å; V108-Y183 WeakPolarHBondContact CA-O 3.05Å; L109-Y183 PolarHBondContact N-O 2.93Å; F181-Y183 VanDerWaalsContact C-N 3.34Å; Y183-P206 HydrophobicContact CD2-CB 3.93Å; Y183-P206 HydrophobicContact CD2-CG 3.43Å; Y183-P206 VanDerWaalsContact CD2-CG 3.43Å; Y183-P206 HydrophobicContact CE2-CB 3.73Å; Y183-P206 HydrophobicContact CE2-CG 3.76Å; Y183-P206 HydrophobicContact CG-CG 4.21Å; Y183-T208 PolarHBondContact OH-OG1 3.31Å; Y183-T421 HydrophobicContact CE1-CG2 4.02Å; Y183-T421 WeakPolarHBondContact CE2-O 3.34Å; Y183-F422 HydrophobicContact CD1-CD1 4.06Å; Y183-F422 AromaticContact CD1-CE1 3.97Å; Y183-F422 HydrophobicContact CD1-CE1 3.97Å; Y183-F422 HydrophobicContact CE1-CE1 4.36Å; Y183-F422 HydrophobicContact CG-CD1 4.35Å
184I98.9Very high98.3Very high2 Ų248.1 Ų48.11%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-123125.7171.1-59.6162.4000110L109 I111 L177 F181 V196 A200 T205 P206 V207 T208L109-I184 HydrophobicContact CB-CG1 4.15Å; L109-I184 HydrophobicContact CB-CG2 4.45Å; L109-I184 HydrophobicContact CD2-CG1 4.36Å; L109-I184 HydrophobicContact CD2-CG2 4.26Å; L109-I184 HydrophobicContact CG-CG2 4.44Å; L109-I184 CarbonylContact O-C 3.54Å; L109-I184 WeakPolarHBondContact O-CA 3.44Å; I111-I184 HydrophobicContact CD1-CG2 4.47Å; L177-I184 HydrophobicContact CD2-CD1 4Å; F181-I184 HydrophobicContact CB-CD1 4.35Å; F181-I184 HydrophobicContact CB-CG1 3.8Å; F181-I184 HydrophobicContact CD2-CD1 4.43Å; F181-I184 HydrophobicContact CD2-CG1 4.34Å; F181-I184 HydrophobicContact CG-CG1 4.28Å; I184-V196 HydrophobicContact CG2-CG1 3.65Å; I184-A200 HydrophobicContact CD1-CB 3.94Å; I184-T205 HydrophobicContact CD1-CG2 3.89Å; I184-T205 HydrophobicContact CG1-CG2 3.81Å; I184-P206 PolarHBondContact N-O 2.74Å; I184-P206 VanDerWaalsContact N-O 3.08Å; I184-V207 HydrophobicContact CB-CG1 4.19Å; I184-V207 CarbonylContact O-C 3.56Å; I184-V207 WeakPolarHBondContact O-CA 3.41Å; I184-T208 PolarHBondContact O-N 3.06Å
185F98.9Very high98.4Very high0 Ų051 Ų510%024%0.244CC..EExtended strand (participates in β ladder)trans-109123.6171.9-171.4-78.8000109L109 I110 I111 P124 T187 T208 E210 Y413 F422L109-F185 PolarHBondContact O-N 2.94Å; I110-F185 WeakPolarHBondContact CA-O 3.31Å; I110-F185 HydrophobicContact CG1-CB 4.31Å; I110-F185 HydrophobicContact CG2-CD1 4.35Å; I111-F185 PolarHBondContact N-O 3.37Å; P124-F185 HydrophobicContact CB-CD1 3.83Å; P124-F185 HydrophobicContact CB-CD2 4.26Å; P124-F185 HydrophobicContact CB-CE1 3.74Å; P124-F185 HydrophobicContact CB-CE2 4.18Å; P124-F185 HydrophobicContact CB-CG 4.1Å; P124-F185 HydrophobicContact CB-CZ 3.93Å; P124-F185 HydrophobicContact CG-CD1 4.13Å; P124-F185 HydrophobicContact CG-CE1 3.88Å; P124-F185 HydrophobicContact CG-CZ 4.41Å; F185-T187 WeakPolarHBondContact CE1-OG1 3.31Å; F185-T208 HydrophobicContact CD2-CG2 3.68Å; F185-T208 HydrophobicContact CE2-CG2 3.44Å; F185-T208 VanDerWaalsContact CE2-CG2 3.44Å; F185-T208 HydrophobicContact CZ-CG2 4.21Å; F185-E210 HydrophobicContact CE1-CG 4.28Å; F185-E210 HydrophobicContact CE2-CG 4.44Å; F185-E210 HydrophobicContact CZ-CG 3.75Å; F185-Y413 AromaticContact CE2-CD1 3.97Å; F185-Y413 HydrophobicContact CE2-CD1 3.97Å; F185-Y413 HydrophobicContact CE2-CD2 4.21Å; F185-Y413 HydrophobicContact CE2-CE1 4.5Å; F185-Y413 AromaticContact CE2-CG 3.84Å; F185-Y413 HydrophobicContact CE2-CG 3.84Å; F185-Y413 AromaticContact CZ-CD1 3.71Å; F185-Y413 HydrophobicContact CZ-CD1 3.71Å; F185-Y413 AromaticContact CZ-CD2 3.94Å; F185-Y413 HydrophobicContact CZ-CD2 3.94Å; F185-Y413 AromaticContact CZ-CE1 3.78Å; F185-Y413 HydrophobicContact CZ-CE1 3.78Å; F185-Y413 HydrophobicContact CZ-CE2 4.06Å; F185-Y413 AromaticContact CZ-CG 3.82Å; F185-Y413 HydrophobicContact CZ-CG 3.82Å; F185-F422 HydrophobicContact CB-CE1 3.94Å; F185-F422 HydrophobicContact CB-CZ 3.89Å; F185-F422 HydrophobicContact CD2-CE1 4.19Å; F185-F422 HydrophobicContact CD2-CE2 4.43Å; F185-F422 AromaticContact CD2-CZ 3.57Å; F185-F422 HydrophobicContact CD2-CZ 3.57Å; F185-F422 HydrophobicContact CE2-CZ 4.39Å; F185-F422 HydrophobicContact CG-CE1 4.43Å; F185-F422 AromaticContact CG-CZ 3.93Å; F185-F422 HydrophobicContact CG-CZ 3.93Å
186F98.9Very high98.5Very high10 Ų1047.5 Ų47.54%0.04423%0.227CC..EExtended strand (participates in β ladder)trans-130.3131.7-179.1169.8-96.7000110.4I111 V192 V196 T208 L209 E210 L211I111-F186 HydrophobicContact CB-CD2 3.83Å; I111-F186 HydrophobicContact CD1-CD2 4.28Å; I111-F186 HydrophobicContact CG2-CD2 3.61Å; I111-F186 HydrophobicContact CG2-CE2 3.93Å; F186-V192 HydrophobicContact CE1-CB 4.35Å; F186-V192 HydrophobicContact CE1-CG1 4.34Å; F186-V192 HydrophobicContact CE2-CB 4.32Å; F186-V192 HydrophobicContact CE2-CG1 3.58Å; F186-V192 HydrophobicContact CZ-CB 3.67Å; F186-V192 HydrophobicContact CZ-CG1 3.44Å; F186-V192 VanDerWaalsContact CZ-CG1 3.44Å; F186-V196 HydrophobicContact CB-CG1 4.16Å; F186-V196 HydrophobicContact CB-CG2 4.34Å; F186-V196 HydrophobicContact CD1-CG2 4.43Å; F186-V196 HydrophobicContact CD2-CG2 3.8Å; F186-V196 HydrophobicContact CE2-CG2 4.26Å; F186-V196 HydrophobicContact CG-CG2 3.92Å; F186-T208 PolarHBondContact N-O 2.64Å; F186-L209 HydrophobicContact CB-CD2 3.97Å; F186-L209 HydrophobicContact CD1-CD2 4.1Å; F186-L209 HydrophobicContact CG-CD2 4.45Å; F186-L209 WeakPolarHBondContact O-CA 3.48Å; F186-E210 PolarHBondContact O-N 3.08Å; F186-L211 HydrophobicContact CD1-CD2 3.88Å; F186-L211 HydrophobicContact CE1-CD2 3.62Å
187T98.9Very high98.5Very high12 Ų1251.8 Ų51.87%0.07425%0.248CC..EExtended strand (participates in β ladder)trans-117.7130.8165.8-49.70000110I111 P113 L120 F185 E210I111-T187 PolarHBondContact O-N 2.71Å; I111-T187 VanDerWaalsContact O-N 3.15Å; P113-T187 HydrophobicContact CG-CG2 3.8Å; L120-T187 HydrophobicContact CD1-CG2 4.35Å; F185-T187 WeakPolarHBondContact CE1-OG1 3.31Å; T187-E210 CarbonylContact C-O 3.57Å; T187-E210 VanDerWaalsContact CA-O 3.23Å; T187-E210 WeakPolarHBondContact CA-O 3.32Å; T187-E210 HydrophobicContact CG2-CB 3.76Å; T187-E210 WeakPolarHBondContact CG2-O 3.5Å; T187-E210 WeakPolarHBondContact OG1-CB 3.5Å
188G98.1Very high98.5Very high23 Ų2356 Ų5624%0.23728%0.275CS..EExtended strand (participates in β ladder)trans161.2-149.6177.600000114E210 L211G188-E210 PolarHBondContact N-O 3.42Å; G188-L211 VanDerWaalsContact O-CA 3.3Å; G188-L211 WeakPolarHBondContact O-CA 3.45Å; G188-L211 WeakPolarHBondContact O-CD2 3.44Å
189S97.4Very high98.5Very high46 Ų4650.5 Ų50.532%0.32225%0.251SS..  trans-76.8148.5-175.371.30000113R191 V192 G193S189-R191 PolarHBondContact O-N 3.44Å; S189-R191 VanDerWaalsContact O-N 3.16Å; S189-V192 PolarHBondContact O-N 3.23Å; S189-V192 WeakPolarHBondContact OG-CG2 3.49Å; S189-V192 PolarHBondContact OG-N 2.93Å; S189-G193 PolarHBondContact O-N 3.32Å
190P97.7Very high98.6Very high41 Ų4148.9 Ų48.927%0.26624%0.244SC..Hα-helixtrans-54.9-34.7174.6-26.733.1000114.4V192 G193 K194 L211P190-V192 PolarHBondContact O-N 3.43Å; P190-G193 PolarHBondContact O-N 2.91Å; P190-K194 WeakPolarHBondContact O-CG 3.36Å; P190-K194 PolarHBondContact O-N 3.05Å; P190-K194 VanDerWaalsContact O-N 3.1Å; P190-L211 HydrophobicContact CB-CD1 4.3Å; P190-L211 HydrophobicContact CG-CB 4.09Å
191R97.6Very high98.6Very high184 Ų18444.9 Ų44.969%0.69424%0.242SC*.Hα-helixtrans-59.6-46176-176.3179.465117.45.2111.9S189S189-R191 PolarHBondContact O-N 3.44Å; S189-R191 VanDerWaalsContact O-N 3.16Å
192V98.1Very high98.6Very high46 Ų4651.8 Ų51.828%0.27927%0.272SS..Hα-helixtrans-76.4-34.5179.4178.90000111F186 S189 P190 K194 I195 V196F186-V192 HydrophobicContact CE1-CB 4.35Å; F186-V192 HydrophobicContact CE1-CG1 4.34Å; F186-V192 HydrophobicContact CE2-CB 4.32Å; F186-V192 HydrophobicContact CE2-CG1 3.58Å; F186-V192 HydrophobicContact CZ-CB 3.67Å; F186-V192 HydrophobicContact CZ-CG1 3.44Å; F186-V192 VanDerWaalsContact CZ-CG1 3.44Å; S189-V192 PolarHBondContact O-N 3.23Å; S189-V192 WeakPolarHBondContact OG-CG2 3.49Å; S189-V192 PolarHBondContact OG-N 2.93Å; P190-V192 PolarHBondContact O-N 3.43Å; V192-K194 VanDerWaalsContact C-N 3.27Å; V192-K194 PolarHBondContact O-N 2.88Å; V192-I195 WeakPolarHBondContact O-CA 3.32Å; V192-I195 WeakPolarHBondContact O-CB 3.45Å; V192-I195 PolarHBondContact O-N 2.81Å; V192-V196 HydrophobicContact CG1-CG2 4.28Å; V192-V196 WeakPolarHBondContact O-CG2 3.26Å; V192-V196 PolarHBondContact O-N 2.88Å
193G98.6Very high98.5Very high1 Ų153 Ų531%0.0128%0.276CS..Hα-helixtrans-55.1-40.9172.900000112.9S189 P190 I195 V196 M197S189-G193 PolarHBondContact O-N 3.32Å; P190-G193 PolarHBondContact O-N 2.91Å; G193-I195 VanDerWaalsContact C-N 3.34Å; G193-I195 PolarHBondContact O-N 3.3Å; G193-V196 PolarHBondContact O-N 3.47Å; G193-M197 WeakPolarHBondContact O-CB 3.36Å; G193-M197 PolarHBondContact O-N 3.09Å
194K98.8Very high98.5Very high151 Ų15159.6 Ų59.666%0.65731%0.312SS*.Hα-helixtrans-61.2-39173.2-70.5172.5-177.9179.60112.8P190 V192 T198P190-K194 WeakPolarHBondContact O-CG 3.36Å; P190-K194 PolarHBondContact O-N 3.05Å; P190-K194 VanDerWaalsContact O-N 3.1Å; V192-K194 VanDerWaalsContact C-N 3.27Å; V192-K194 PolarHBondContact O-N 2.88Å; K194-T198 WeakPolarHBondContact O-CB 3.47Å; K194-T198 PolarHBondContact O-N 3.33Å; K194-T198 PolarHBondContact O-OG1 3.49Å
195I98.7Very high98.5Very high96 Ų9660.2 Ų60.249%0.49232%0.316SS..Hα-helixtrans-65.9-47.2176.9-62.3170000110V192 G193 M197 T198 A199V192-I195 WeakPolarHBondContact O-CA 3.32Å; V192-I195 WeakPolarHBondContact O-CB 3.45Å; V192-I195 PolarHBondContact O-N 2.81Å; G193-I195 VanDerWaalsContact C-N 3.34Å; G193-I195 PolarHBondContact O-N 3.3Å; I195-M197 PolarHBondContact O-N 3.28Å; I195-T198 PolarHBondContact O-N 3.32Å; I195-A199 PolarHBondContact O-N 3.22Å
196V98.8Very high98.5Very high1 Ų162.7 Ų62.71%0.00633%0.332CS..Hα-helixtrans-58.7-49.3177.4175.80000110.9I111 L177 I184 F186 V192 G193 T198 A199 A200 L209I111-V196 HydrophobicContact CD1-CG2 4.38Å; L177-V196 HydrophobicContact CD1-CG2 4.09Å; L177-V196 HydrophobicContact CD2-CG1 4.27Å; I184-V196 HydrophobicContact CG2-CG1 3.65Å; F186-V196 HydrophobicContact CB-CG1 4.16Å; F186-V196 HydrophobicContact CB-CG2 4.34Å; F186-V196 HydrophobicContact CD1-CG2 4.43Å; F186-V196 HydrophobicContact CD2-CG2 3.8Å; F186-V196 HydrophobicContact CE2-CG2 4.26Å; F186-V196 HydrophobicContact CG-CG2 3.92Å; V192-V196 HydrophobicContact CG1-CG2 4.28Å; V192-V196 WeakPolarHBondContact O-CG2 3.26Å; V192-V196 PolarHBondContact O-N 2.88Å; G193-V196 PolarHBondContact O-N 3.47Å; V196-T198 VanDerWaalsContact C-N 3.32Å; V196-T198 PolarHBondContact O-N 3.49Å; V196-A199 PolarHBondContact O-N 3.21Å; V196-A200 WeakPolarHBondContact O-CB 3.21Å; V196-A200 PolarHBondContact O-N 3.02Å; V196-L209 HydrophobicContact CB-CD2 4.48Å; V196-L209 HydrophobicContact CG1-CD2 4.28Å
197M98.8Very high98.5Very high90 Ų9063.1 Ų63.144%0.44334%0.336SS..Hα-helixtrans-62.4-38.5178.9-167.6179.9-176.900112.3G193 I195 A200 A201 V207 L209 M410G193-M197 WeakPolarHBondContact O-CB 3.36Å; G193-M197 PolarHBondContact O-N 3.09Å; I195-M197 PolarHBondContact O-N 3.28Å; M197-A200 PolarHBondContact O-N 3.45Å; M197-A201 PolarHBondContact O-N 3.38Å; M197-V207 HydrophobicContact CG-CG2 4.34Å; M197-L209 HydrophobicContact CB-CD1 4.21Å; M197-L209 HydrophobicContact SD-CD1 4.4Å; M197-M410 HydrophobicContact CE-CE 3.81Å; M197-M410 HydrophobicContact CE-SD 4.14Å; M197-M410 HydrophobicContact SD-CE 3.8Å; M197-M410 HydrophobicContact SD-SD 4.43Å
198T98.8Very high98.5Very high98 Ų9862.6 Ų62.660%0.60133%0.332SS*.Hα-helixtrans-64-40.6176.1-59.60000111.6K194 I195 V196K194-T198 WeakPolarHBondContact O-CB 3.47Å; K194-T198 PolarHBondContact O-N 3.33Å; K194-T198 PolarHBondContact O-OG1 3.49Å; I195-T198 PolarHBondContact O-N 3.32Å; V196-T198 VanDerWaalsContact C-N 3.32Å; V196-T198 PolarHBondContact O-N 3.49Å
199A98.7Very high98.6Very high11 Ų1161.7 Ų61.79%0.09132%0.322CS..Hα-helixtrans-67.9-44.4175.500000111.7L177 I195 V196 A201 K202L177-A199 HydrophobicContact CB-CB 3.8Å; L177-A199 HydrophobicContact CD1-CB 4.47Å; I195-A199 PolarHBondContact O-N 3.22Å; V196-A199 PolarHBondContact O-N 3.21Å; A199-A201 VanDerWaalsContact C-N 3.26Å; A199-A201 PolarHBondContact O-N 3.46Å; A199-K202 WeakPolarHBondContact O-CB 3.02Å; A199-K202 PolarHBondContact O-N 3.29Å; A199-K202 VanDerWaalsContact O-N 3.12Å
200A98.8Very high98.6Very high2 Ų259.6 Ų59.62%0.01731%0.307CS..Hα-helixtrans-58.2-36.8177.200000112.7I184 V196 M197 K202 H203 L204 T205 V207I184-A200 HydrophobicContact CD1-CB 3.94Å; V196-A200 WeakPolarHBondContact O-CB 3.21Å; V196-A200 PolarHBondContact O-N 3.02Å; M197-A200 PolarHBondContact O-N 3.45Å; A200-K202 PolarHBondContact O-N 2.97Å; A200-H203 PolarHBondContact O-N 3.21Å; A200-H203 VanDerWaalsContact O-N 3.08Å; A200-L204 PolarHBondContact O-N 3.37Å; A200-L204 VanDerWaalsContact O-N 3.12Å; A200-T205 PolarHBondContact O-N 2.94Å; A200-V207 HydrophobicContact CB-CG1 3.43Å; A200-V207 VanDerWaalsContact CB-CG1 3.43Å
201A98.8Very high98.7Very high64 Ų6458.2 Ų58.253%0.52930%0.298SS..Hα-helixtrans-59.7-28.9178.200000113.5M197 A199 H203 L204M197-A201 PolarHBondContact O-N 3.38Å; A199-A201 VanDerWaalsContact C-N 3.26Å; A199-A201 PolarHBondContact O-N 3.46Å; A201-H203 PolarHBondContact O-N 2.89Å; A201-L204 PolarHBondContact O-N 3.06Å
202K98.6Very high98.6Very high146 Ų14649.7 Ų49.764%0.63527%0.267SS*.THydrogen-bonded Turntrans-61.6-27.3176.9-60.9178-179.4176.60112.7A199 A200A199-K202 WeakPolarHBondContact O-CB 3.02Å; A199-K202 PolarHBondContact O-N 3.29Å; A199-K202 VanDerWaalsContact O-N 3.12Å; A200-K202 PolarHBondContact O-N 2.97Å
203H98.7Very high98.5Very high68 Ų6848.4 Ų48.432%0.31526%0.263SS..THydrogen-bonded Turntrans-115.44.2-177-63.4-62.2000113.4E178 R180 A200 A201 T205E178-H203 PolarHBondContact O-NE2 3.06Å; R180-H203 HydrophobicContact CG-CB 4.21Å; A200-H203 PolarHBondContact O-N 3.21Å; A200-H203 VanDerWaalsContact O-N 3.08Å; A201-H203 PolarHBondContact O-N 2.89Å; H203-T205 WeakPolarHBondContact CB-OG1 3.41Å; H203-T205 PolarHBondContact O-N 3.19Å
204L98.8Very high98.5Very high160 Ų16049.8 Ų49.884%0.83827%0.269SS*.THydrogen-bonded Turntrans53.634.9-170.1-56.1176.5000112.6A200 A201A200-L204 PolarHBondContact O-N 3.37Å; A200-L204 VanDerWaalsContact O-N 3.12Å; A201-L204 PolarHBondContact O-N 3.06Å
205T98.9Very high98.5Very high14 Ų1442.6 Ų42.69%0.08624%0.238CC..  trans-76.5125.2-179.4-58.80000109.9F181 I184 A200 H203F181-T205 HydrophobicContact CB-CG2 4.22Å; F181-T205 WeakPolarHBondContact O-CB 3.44Å; F181-T205 WeakPolarHBondContact O-CG2 3.41Å; F181-T205 PolarHBondContact O-OG1 3.18Å; I184-T205 HydrophobicContact CD1-CG2 3.89Å; I184-T205 HydrophobicContact CG1-CG2 3.81Å; A200-T205 PolarHBondContact O-N 2.94Å; H203-T205 WeakPolarHBondContact CB-OG1 3.41Å; H203-T205 PolarHBondContact O-N 3.19Å
206P98.9Very high98.5Very high52 Ų5238.1 Ų38.134%0.33821%0.214SC..  trans-64.5148.9171.328.1-35.3000111F105 D182 Y183 I184F105-P206 HydrophobicContact CD1-CG 4.41Å; F105-P206 HydrophobicContact CE1-CG 3.97Å; F105-P206 HydrophobicContact CZ-CG 4.33Å; D182-P206 WeakPolarHBondContact O-CD 3.41Å; D182-P206 WeakPolarHBondContact O-CG 3.42Å; Y183-P206 HydrophobicContact CD2-CB 3.93Å; Y183-P206 HydrophobicContact CD2-CG 3.43Å; Y183-P206 VanDerWaalsContact CD2-CG 3.43Å; Y183-P206 HydrophobicContact CE2-CB 3.73Å; Y183-P206 HydrophobicContact CE2-CG 3.76Å; Y183-P206 HydrophobicContact CG-CG 4.21Å; I184-P206 PolarHBondContact N-O 2.74Å; I184-P206 VanDerWaalsContact N-O 3.08Å
207V98.9Very high98.5Very high20 Ų2038.1 Ų38.112%0.12121%0.214CC..EExtended strand (participates in β ladder)trans-131.7146.7-177.5-56.50000112.4I184 M197 A200 L209 M410I184-V207 HydrophobicContact CB-CG1 4.19Å; I184-V207 CarbonylContact O-C 3.56Å; I184-V207 WeakPolarHBondContact O-CA 3.41Å; M197-V207 HydrophobicContact CG-CG2 4.34Å; A200-V207 HydrophobicContact CB-CG1 3.43Å; A200-V207 VanDerWaalsContact CB-CG1 3.43Å; V207-L209 HydrophobicContact CB-CD2 4.27Å; V207-L209 HydrophobicContact CB-CG 4.42Å; V207-L209 HydrophobicContact CG2-CD1 4.27Å; V207-L209 HydrophobicContact CG2-CD2 4.24Å; V207-L209 HydrophobicContact CG2-CG 3.96Å; V207-M410 HydrophobicContact CG2-SD 4.03Å
208T98.9Very high98.5Very high0 Ų034.4 Ų34.40%020%0.196CC..EExtended strand (participates in β ladder)trans-110.5128157.1-65.60000108Y183 I184 F185 F186 E210 M410 T421Y183-T208 PolarHBondContact OH-OG1 3.31Å; I184-T208 PolarHBondContact O-N 3.06Å; F185-T208 HydrophobicContact CD2-CG2 3.68Å; F185-T208 HydrophobicContact CE2-CG2 3.44Å; F185-T208 VanDerWaalsContact CE2-CG2 3.44Å; F185-T208 HydrophobicContact CZ-CG2 4.21Å; F186-T208 PolarHBondContact N-O 2.64Å; T208-E210 HydrophobicContact CG2-CG 4.26Å; T208-M410 WeakPolarHBondContact CA-O 3.28Å; T208-T421 WeakPolarHBondContact OG1-CG2 3.32Å
209L98.9Very high98.5Very high4 Ų429.8 Ų29.82%0.02117%0.167CC..EExtended strand (participates in β ladder)trans-120.6106.5179.5-56.1179.8000108.5F186 V196 M197 V207 L211 G409 M410F186-L209 HydrophobicContact CB-CD2 3.97Å; F186-L209 HydrophobicContact CD1-CD2 4.1Å; F186-L209 HydrophobicContact CG-CD2 4.45Å; F186-L209 WeakPolarHBondContact O-CA 3.48Å; V196-L209 HydrophobicContact CB-CD2 4.48Å; V196-L209 HydrophobicContact CG1-CD2 4.28Å; M197-L209 HydrophobicContact CB-CD1 4.21Å; M197-L209 HydrophobicContact SD-CD1 4.4Å; V207-L209 HydrophobicContact CB-CD2 4.27Å; V207-L209 HydrophobicContact CB-CG 4.42Å; V207-L209 HydrophobicContact CG2-CD1 4.27Å; V207-L209 HydrophobicContact CG2-CD2 4.24Å; V207-L209 HydrophobicContact CG2-CG 3.96Å; L209-L211 HydrophobicContact CB-CD1 4.18Å; L209-L211 HydrophobicContact CB-CD2 4.22Å; L209-L211 HydrophobicContact CB-CG 4.07Å; L209-G409 CarbonylContact O-C 3.43Å; L209-G409 WeakPolarHBondContact O-CA 3.35Å; L209-M410 HydrophobicContact CB-CG 4.2Å; L209-M410 HydrophobicContact CD1-CE 4.29Å; L209-M410 HydrophobicContact CD1-CG 4.25Å; L209-M410 HydrophobicContact CD1-SD 4.39Å; L209-M410 HydrophobicContact CG-CG 4.17Å; L209-M410 PolarHBondContact N-O 3.35Å; L209-M410 PolarHBondContact O-N 3.23Å
210E98.8Very high98.4Very high3 Ų330.4 Ų30.41%0.01417%0.169CC..EExtended strand (participates in β ladder)trans-95.1102173.2-66.3-62.5155.100108.7F185 F186 T187 G188 T208 F402 G403 Y413F185-E210 HydrophobicContact CE1-CG 4.28Å; F185-E210 HydrophobicContact CE2-CG 4.44Å; F185-E210 HydrophobicContact CZ-CG 3.75Å; F186-E210 PolarHBondContact O-N 3.08Å; T187-E210 CarbonylContact C-O 3.57Å; T187-E210 VanDerWaalsContact CA-O 3.23Å; T187-E210 WeakPolarHBondContact CA-O 3.32Å; T187-E210 HydrophobicContact CG2-CB 3.76Å; T187-E210 WeakPolarHBondContact CG2-O 3.5Å; T187-E210 WeakPolarHBondContact OG1-CB 3.5Å; G188-E210 PolarHBondContact N-O 3.42Å; T208-E210 HydrophobicContact CG2-CG 4.26Å; E210-F402 WeakPolarHBondContact OE2-CE1 3.32Å; E210-G403 WeakPolarHBondContact OE1-CA 3.43Å; E210-G403 WeakPolarHBondContact OE2-CA 3.46Å; E210-Y413 HydrophobicContact CG-CD1 4.14Å; E210-Y413 HydrophobicContact CG-CE1 3.76Å; E210-Y413 WeakPolarHBondContact OE1-CD1 3.42Å
211L98.6Very high98.4Very high12 Ų1233.7 Ų33.76%0.06319%0.186CC..EExtended strand (participates in β ladder)trans-114.8174.1-170.8-46.7170.6000111.9F186 G188 P190 L209 L362 A407 S408F186-L211 HydrophobicContact CD1-CD2 3.88Å; F186-L211 HydrophobicContact CE1-CD2 3.62Å; G188-L211 VanDerWaalsContact O-CA 3.3Å; G188-L211 WeakPolarHBondContact O-CA 3.45Å; G188-L211 WeakPolarHBondContact O-CD2 3.44Å; P190-L211 HydrophobicContact CB-CD1 4.3Å; P190-L211 HydrophobicContact CG-CB 4.09Å; L209-L211 HydrophobicContact CB-CD1 4.18Å; L209-L211 HydrophobicContact CB-CD2 4.22Å; L209-L211 HydrophobicContact CB-CG 4.07Å; L211-L362 WeakPolarHBondContact O-CD2 3.48Å; L211-A407 WeakPolarHBondContact CD1-O 3.47Å; L211-S408 CarbonylContact C-O 3.51Å; L211-S408 VanDerWaalsContact CA-O 3.3Å; L211-S408 WeakPolarHBondContact CA-O 3.29Å; L211-S408 VanDerWaalsContact CB-O 3.29Å; L211-S408 WeakPolarHBondContact CB-O 3.41Å; L211-S408 PolarHBondContact N-O 2.9Å
212G95.6Very high98.2Very high5 Ų535.3 Ų35.35%0.05219%0.186CC..  trans-92.8-169178.100000113.8E334 S408G212-E334 WeakPolarHBondContact CA-OE1 3.41Å; G212-S408 WeakPolarHBondContact O-CA 3.34Å
213G96Very high98.1Very high19 Ų1928.8 Ų28.820%0.19616%0.159CC..  trans163.4175.8177.200000110.9N215 E334G213-N215 PolarHBondContact O-N 3.35Å; G213-E334 PolarHBondContact N-OE1 3.15Å
214K98.4Very high98Very high29 Ų2929.2 Ų29.213%0.12616%0.163CC..  trans-90.598.5177.8-58.2-176.767.968.60109.8P216 D248 Y249 V330 M331 E333K214-P216 VanDerWaalsContact O-CD 3.26Å; K214-P216 WeakPolarHBondContact O-CD 3.46Å; K214-D248 HydrophobicContact CB-CB 4.18Å; K214-D248 WeakPolarHBondContact CE-OD1 3.46Å; K214-D248 WeakPolarHBondContact CG-OD1 3.41Å; K214-D248 IonicContact NZ-OD1 3.34Å; K214-D248 PolarHBondContact NZ-OD1 2.6Å; K214-Y249 HydrophobicContact CB-CD1 4.06Å; K214-Y249 HydrophobicContact CB-CE1 3.69Å; K214-V330 PolarHBondContact NZ-O 3.44Å; K214-M331 WeakPolarHBondContact CD-O 3.41Å; K214-M331 WeakPolarHBondContact CE-O 2.97Å; K214-E333 WeakPolarHBondContact CD-O 3.21Å; K214-E333 PolarHBondContact NZ-O 3.44Å
215N98.5Very high98Very high1 Ų122.5 Ų22.51%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-73.9114.6-178.3-52.2-54.8000111G213 C244 V245 A246 D248 L362 A363 Y365G213-N215 PolarHBondContact O-N 3.35Å; N215-C244 PolarHBondContact ND2-O 2.85Å; N215-V245 VanDerWaalsContact ND2-CA 3.3Å; N215-V245 WeakPolarHBondContact ND2-CA 2.95Å; N215-V245 PolarHBondContact ND2-O 3.12Å; N215-A246 WeakPolarHBondContact CB-O 3.43Å; N215-A246 PolarHBondContact ND2-O 2.65Å; N215-D248 PolarHBondContact O-N 2.94Å; N215-L362 PolarHBondContact OD1-N 3.29Å; N215-A363 WeakPolarHBondContact CA-O 3.19Å; N215-A363 HydrophobicContact CB-CB 4.43Å; N215-A363 VanDerWaalsContact CB-O 3.24Å; N215-A363 WeakPolarHBondContact CB-O 3.38Å; N215-A363 PolarHBondContact OD1-N 3.31Å; N215-A363 PolarHBondContact OD1-O 3.05Å; N215-Y365 HydrophobicContact CB-CE2 4.27Å
216P98.6Very high97.9Very high1 Ų124.9 Ų24.91%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-73.8144.7177.116.5-11.8000111.5K214 Y249 I355 P361 L364 Y365K214-P216 VanDerWaalsContact O-CD 3.26Å; K214-P216 WeakPolarHBondContact O-CD 3.46Å; P216-Y249 HydrophobicContact CB-CE1 4.24Å; P216-Y249 HydrophobicContact CB-CE2 3.88Å; P216-Y249 WeakPolarHBondContact CB-OH 3.26Å; P216-I355 HydrophobicContact CB-CD1 3.81Å; P216-I355 HydrophobicContact CB-CG1 3.77Å; P216-I355 HydrophobicContact CG-CB 4.49Å; P216-I355 HydrophobicContact CG-CD1 3.86Å; P216-I355 HydrophobicContact CG-CG1 3.72Å; P216-I355 HydrophobicContact CG-CG2 4.02Å; P216-P361 HydrophobicContact CG-CG 4.23Å; P216-L364 HydrophobicContact CG-CD1 3.97Å; P216-L364 HydrophobicContact CG-CG 3.96Å; P216-Y365 PolarHBondContact O-N 3.08Å
217C98.7Very high97.9Very high1 Ų125 Ų251%0.00714%0.139CC..EExtended strand (participates in β ladder)trans-122.3100.4166.9-175.70000109.7P247 Y249 V250 L251 Y365 F367C217-P247 HydrophobicContact CB-CB 3.94Å; C217-Y249 PolarHBondContact N-O 3.01Å; C217-V250 HydrophobicContact CB-CG2 4.16Å; C217-V250 CarbonylContact O-C 3.51Å; C217-V250 VanDerWaalsContact O-CA 3.28Å; C217-V250 WeakPolarHBondContact O-CA 3.18Å; C217-L251 PolarHBondContact O-N 3.43Å; C217-Y365 WeakPolarHBondContact CA-O 3.39Å; C217-F367 VanDerWaalsContact SG-CE2 3.59Å
218Y98.8Very high97.9Very high13 Ų1324.1 Ų24.15%0.05113%0.134CC..EExtended strand (participates in β ladder)trans-79.5133.6173.3177.3-103.1000110.4D220 L251 V345 V348 A351 Y365 A366 F367 V373 V377Y218-D220 HydrophobicContact CE1-CB 3.93Å; Y218-L251 CarbonylContact C-O 3.56Å; Y218-L251 WeakPolarHBondContact CA-O 3.49Å; Y218-L251 HydrophobicContact CD2-CB 4.18Å; Y218-V345 HydrophobicContact CE2-CG2 4.3Å; Y218-V348 HydrophobicContact CE1-CB 4.22Å; Y218-V348 HydrophobicContact CE1-CG2 4.05Å; Y218-V348 HydrophobicContact CE2-CB 4.46Å; Y218-V348 PolarHBondContact OH-N 3.13Å; Y218-A351 HydrophobicContact CD2-CB 3.35Å; Y218-A351 HydrophobicContact CE2-CB 3.62Å; Y218-A351 HydrophobicContact CG-CB 4.25Å; Y218-Y365 PolarHBondContact N-O 2.87Å; Y218-A366 CarbonylContact O-C 3.58Å; Y218-A366 WeakPolarHBondContact O-CA 3.46Å; Y218-F367 PolarHBondContact O-N 2.88Å; Y218-V373 HydrophobicContact CD1-CG1 4.42Å; Y218-V373 HydrophobicContact CE1-CG1 3.74Å; Y218-V377 HydrophobicContact CD1-CG2 4.22Å
219V98.8Very high97.9Very high0 Ų024.1 Ų24.10%013%0.134CC..EExtended strand (participates in β ladder)trans-127.8116.2178.4-175.50000109.5V228 V250 L251 C252 M256 F367V219-V228 HydrophobicContact CG1-CB 4.47Å; V219-V228 HydrophobicContact CG1-CG1 3.86Å; V219-V228 HydrophobicContact CG1-CG2 4.02Å; V219-V228 HydrophobicContact CG2-CG1 3.81Å; V219-V250 HydrophobicContact CB-CG1 4.47Å; V219-V250 HydrophobicContact CG2-CG1 3.88Å; V219-L251 PolarHBondContact N-O 3.23Å; V219-C252 HydrophobicContact CB-CB 4.12Å; V219-C252 WeakPolarHBondContact O-CB 3.25Å; V219-M256 HydrophobicContact CG1-CE 3.53Å; V219-M256 HydrophobicContact CG1-CG 3.89Å; V219-M256 HydrophobicContact CG1-SD 4.4Å; V219-F367 HydrophobicContact CG1-CB 4.32Å; V219-F367 HydrophobicContact CG2-CB 4.36Å; V219-F367 HydrophobicContact CG2-CD2 4.33Å
220D98.1Very high97.8Very high24 Ų2426 Ų2613%0.12814%0.144CC..  trans-80.4153.3179.2-168.432.3000112.6Y218 N222 C223 F367 S368 V373Y218-D220 HydrophobicContact CE1-CB 3.93Å; D220-N222 PolarHBondContact O-N 3.42Å; D220-C223 WeakPolarHBondContact O-CB 3.09Å; D220-C223 PolarHBondContact O-N 3.14Å; D220-F367 VanDerWaalsContact CB-O 3.23Å; D220-F367 WeakPolarHBondContact CB-O 3.15Å; D220-F367 PolarHBondContact N-O 3Å; D220-S368 WeakPolarHBondContact OD2-CB 3.44Å; D220-S368 PolarHBondContact OD2-OG 3.15Å; D220-V373 HydrophobicContact CB-CG1 4.44Å
221D97.6Very high97.8Very high72 Ų7230.4 Ų30.439%0.38516%0.16SC..THydrogen-bonded Turntrans-66.4-26.2-177.5-64.3-18000113C223 S253 M256 R259D221-C223 PolarHBondContact O-N 2.81Å; D221-S253 VanDerWaalsContact OD1-CB 3.29Å; D221-S253 WeakPolarHBondContact OD1-CB 3.43Å; D221-S253 PolarHBondContact OD1-OG 2.91Å; D221-M256 WeakPolarHBondContact OD1-CB 3.15Å; D221-R259 PolarHBondContact O-NH1 2.7Å
222N95Very high97.8Very high98 Ų9830 Ų3052%0.52416%0.158SC..THydrogen-bonded Turntrans-81.722.3179.8-169.122.1000112.9D220 N369D220-N222 PolarHBondContact O-N 3.42Å; N222-N369 WeakPolarHBondContact O-CB 3.46Å; N222-N369 VanDerWaalsContact O-CG 3.29Å; N222-N369 PolarHBondContact O-ND2 3.02Å
223C95.6Very high97.9Very high8 Ų829.7 Ų29.75%0.05416%0.156CC..SBendtrans-102.7158.5173.4-81.30000112.7D220 D221 P225 V228 M256 R259 S368D220-C223 WeakPolarHBondContact O-CB 3.09Å; D220-C223 PolarHBondContact O-N 3.14Å; D221-C223 PolarHBondContact O-N 2.81Å; C223-P225 WeakPolarHBondContact O-CD 3.41Å; C223-V228 HydrophobicContact CB-CG2 3.85Å; C223-M256 HydrophobicContact CB-CE 4.49Å; C223-R259 PolarHBondContact O-NH2 2.91Å; C223-S368 WeakPolarHBondContact SG-CA 3.37Å; C223-S368 PolarHBondContact SG-N 3.43Å
224D97.6Very high97.9Very high78 Ų7832.3 Ų32.342%0.41716%0.16SC..  trans-77.2113.5163.3170.242.8000109.6Q226 T227 V228D224-Q226 PolarHBondContact O-N 2.8Å; D224-Q226 PolarHBondContact OD1-N 2.81Å; D224-T227 PolarHBondContact O-N 3.35Å; D224-T227 VanDerWaalsContact OD2-CB 3.25Å; D224-T227 WeakPolarHBondContact OD2-CB 3.4Å; D224-T227 PolarHBondContact OD2-N 2.78Å; D224-T227 PolarHBondContact OD2-OG1 3.36Å; D224-V228 WeakPolarHBondContact O-CG2 3.38Å; D224-V228 PolarHBondContact O-N 3.08Å; D224-V228 VanDerWaalsContact O-N 3.13Å
225P98.2Very high97.7Very high18 Ų1831 Ų3112%0.11715%0.154CC..Hα-helixtrans-61.1-30.9-177.924.3-35000112.4C223 V228 A229 M256 R259 L260 A263C223-P225 WeakPolarHBondContact O-CD 3.41Å; P225-V228 PolarHBondContact O-N 2.99Å; P225-A229 VanDerWaalsContact O-CB 3.22Å; P225-A229 WeakPolarHBondContact O-CB 3.36Å; P225-A229 PolarHBondContact O-N 2.87Å; P225-M256 HydrophobicContact CB-CE 3.75Å; P225-R259 HydrophobicContact CB-CB 4.19Å; P225-R259 VanDerWaalsContact CD-NH2 3.3Å; P225-R259 HydrophobicContact CG-CB 4.18Å; P225-L260 HydrophobicContact CB-CD1 4.5Å; P225-A263 HydrophobicContact CB-CB 4.21Å
226Q98.4Very high97.6Very high64 Ų6431 Ų3130%0.29915%0.154SC..Hα-helixtrans-70.2-41.2-179.7-16960.270.200111.9D224 A229 N230 T267D224-Q226 PolarHBondContact O-N 2.8Å; D224-Q226 PolarHBondContact OD1-N 2.81Å; Q226-A229 PolarHBondContact O-N 2.61Å; Q226-N230 PolarHBondContact NE2-OD1 2.86Å; Q226-N230 WeakPolarHBondContact O-CB 3.46Å; Q226-N230 PolarHBondContact O-N 3.2Å; Q226-N230 PolarHBondContact O-ND2 2.91Å; Q226-T267 PolarHBondContact NE2-OG1 2.95Å
227T98.1Very high97.6Very high55 Ų5531 Ų3134%0.33715%0.154SC..Hα-helixtrans-62.7-44.8173.3-64.10000111.6D224 N230 R231D224-T227 PolarHBondContact O-N 3.35Å; D224-T227 VanDerWaalsContact OD2-CB 3.25Å; D224-T227 WeakPolarHBondContact OD2-CB 3.4Å; D224-T227 PolarHBondContact OD2-N 2.78Å; D224-T227 PolarHBondContact OD2-OG1 3.36Å; T227-N230 PolarHBondContact O-N 2.7Å; T227-R231 PolarHBondContact O-N 2.79Å
228V98.4Very high97.5Very high2 Ų231.1 Ų31.11%0.01215%0.154CC..Hα-helixtrans-61.5-50.1176.7177.30000110.3V219 C223 D224 P225 N230 R231 V232 M256 L260 F367V219-V228 HydrophobicContact CG1-CB 4.47Å; V219-V228 HydrophobicContact CG1-CG1 3.86Å; V219-V228 HydrophobicContact CG1-CG2 4.02Å; V219-V228 HydrophobicContact CG2-CG1 3.81Å; C223-V228 HydrophobicContact CB-CG2 3.85Å; D224-V228 WeakPolarHBondContact O-CG2 3.38Å; D224-V228 PolarHBondContact O-N 3.08Å; D224-V228 VanDerWaalsContact O-N 3.13Å; P225-V228 PolarHBondContact O-N 2.99Å; V228-N230 VanDerWaalsContact C-N 3.32Å; V228-N230 PolarHBondContact O-N 2.97Å; V228-R231 PolarHBondContact O-N 2.85Å; V228-R231 VanDerWaalsContact O-N 3.17Å; V228-V232 HydrophobicContact CG1-CG2 3.84Å; V228-V232 WeakPolarHBondContact O-CB 3.41Å; V228-V232 WeakPolarHBondContact O-CG2 3.3Å; V228-V232 PolarHBondContact O-N 2.91Å; V228-M256 HydrophobicContact CG2-CE 4.49Å; V228-L260 HydrophobicContact CB-CD1 4.12Å; V228-L260 HydrophobicContact CG1-CD1 3.93Å; V228-F367 HydrophobicContact CG1-CD1 4.47Å; V228-F367 HydrophobicContact CG1-CG 4.35Å; V228-F367 HydrophobicContact CG2-CB 4.05Å; V228-F367 HydrophobicContact CG2-CD1 3.84Å; V228-F367 HydrophobicContact CG2-CG 4.08Å
229A98.6Very high97.4Very high0 Ų030.5 Ų30.50%015%0.152CC..Hα-helixtrans-56.3-45.1178.700000112.1P225 Q226 R231 A233 L260 A263 L264P225-A229 VanDerWaalsContact O-CB 3.22Å; P225-A229 WeakPolarHBondContact O-CB 3.36Å; P225-A229 PolarHBondContact O-N 2.87Å; Q226-A229 PolarHBondContact O-N 2.61Å; A229-R231 PolarHBondContact O-N 2.9Å; A229-A233 WeakPolarHBondContact O-CB 3.23Å; A229-A233 PolarHBondContact O-N 3.21Å; A229-L260 HydrophobicContact CB-CD1 4.08Å; A229-A263 VanDerWaalsContact CB-C 3.47Å; A229-A263 HydrophobicContact CB-CB 3.68Å; A229-L264 HydrophobicContact CB-CD2 3.93Å; A229-L264 HydrophobicContact CB-CG 4.06Å
230N98.3Very high97.4Very high43 Ų4330.6 Ų30.623%0.2315%0.153CC..Hα-helixtrans-56.3-47.2176.7-71.5-23.1000112.6Q226 T227 V228 W234 T267 R270Q226-N230 PolarHBondContact NE2-OD1 2.86Å; Q226-N230 WeakPolarHBondContact O-CB 3.46Å; Q226-N230 PolarHBondContact O-N 3.2Å; Q226-N230 PolarHBondContact O-ND2 2.91Å; T227-N230 PolarHBondContact O-N 2.7Å; V228-N230 VanDerWaalsContact C-N 3.32Å; V228-N230 PolarHBondContact O-N 2.97Å; N230-W234 WeakPolarHBondContact O-CB 3.32Å; N230-W234 PolarHBondContact O-N 3.13Å; N230-W234 VanDerWaalsContact O-N 3.16Å; N230-T267 PolarHBondContact OD1-OG1 3.2Å; N230-R270 PolarHBondContact ND2-NH2 2.84Å; N230-R270 PolarHBondContact OD1-NH2 2.86Å
231R98Very high97.4Very high95 Ų9529.5 Ų29.536%0.35815%0.147SC..Hα-helixtrans-75.3-45.8-176.7-70.2174.8171.51576.6112.1T227 V228 A229 F235 F367 N389T227-R231 PolarHBondContact O-N 2.79Å; V228-R231 PolarHBondContact O-N 2.85Å; V228-R231 VanDerWaalsContact O-N 3.17Å; A229-R231 PolarHBondContact O-N 2.9Å; R231-F235 WeakPolarHBondContact O-CB 3.36Å; R231-F235 PolarHBondContact O-N 3.15Å; R231-F367 HydrophobicContact CB-CE1 4.13Å; R231-F367 HydrophobicContact CB-CZ 4.06Å; R231-N389 WeakPolarHBondContact CD-O 3.34Å; R231-N389 VanDerWaalsContact CZ-O 3.29Å; R231-N389 PolarHBondContact NH1-O 3.33Å
232V98.2Very high97.4Very high3 Ų326 Ų262%0.01813%0.128CC..Hα-helixtrans-66.1-46.3-179.8173.20000110.8V228 F235 R236 P247 V250 L340 F367V228-V232 HydrophobicContact CG1-CG2 3.84Å; V228-V232 WeakPolarHBondContact O-CB 3.41Å; V228-V232 WeakPolarHBondContact O-CG2 3.3Å; V228-V232 PolarHBondContact O-N 2.91Å; V232-F235 PolarHBondContact O-N 3.17Å; V232-R236 WeakPolarHBondContact O-CB 3.42Å; V232-R236 PolarHBondContact O-N 3.4Å; V232-P247 HydrophobicContact CG1-CG 4.3Å; V232-V250 HydrophobicContact CG1-CG2 4.27Å; V232-L340 HydrophobicContact CG1-CD2 3.67Å; V232-F367 HydrophobicContact CG2-CE2 4.04Å; V232-F367 HydrophobicContact CG2-CZ 4.27Å
233A98.2Very high97.6Very high0 Ų021.9 Ų21.90%011%0.106CC..Hα-helixtrans-67.1-44179.500000111.8A229 F235 R236 Y237 L264 T267 I268 F271A229-A233 WeakPolarHBondContact O-CB 3.23Å; A229-A233 PolarHBondContact O-N 3.21Å; A233-F235 VanDerWaalsContact C-N 3.26Å; A233-F235 PolarHBondContact O-N 3.44Å; A233-R236 PolarHBondContact O-N 3.17Å; A233-Y237 HydrophobicContact CB-CD2 3.91Å; A233-Y237 HydrophobicContact CB-CE2 3.89Å; A233-Y237 WeakPolarHBondContact O-CB 3.1Å; A233-Y237 WeakPolarHBondContact O-CD2 3.45Å; A233-Y237 PolarHBondContact O-N 3.27Å; A233-L264 HydrophobicContact CB-CD2 4.16Å; A233-T267 HydrophobicContact CB-CG2 3.66Å; A233-I268 HydrophobicContact CB-CG1 4.41Å; A233-F271 HydrophobicContact CB-CE2 4.39Å
234W96.4Very high97.6Very high73 Ų7322.3 Ų22.328%0.27711%0.11SC..Hα-helixtrans-53.9-50.7178173.660.7000109.9L61 N230 F238 F271 F392 M393L61-W234 HydrophobicContact CD2-CZ2 4.2Å; N230-W234 WeakPolarHBondContact O-CB 3.32Å; N230-W234 PolarHBondContact O-N 3.13Å; N230-W234 VanDerWaalsContact O-N 3.16Å; W234-F238 VanDerWaalsContact O-CB 3.28Å; W234-F238 WeakPolarHBondContact O-CB 3.43Å; W234-F238 PolarHBondContact O-N 2.93Å; W234-F238 VanDerWaalsContact O-N 3.08Å; W234-F271 HydrophobicContact CB-CE2 3.82Å; W234-F271 HydrophobicContact CB-CZ 4.38Å; W234-F392 AromaticContact CE3-CE1 3.94Å; W234-F392 HydrophobicContact CE3-CE1 3.94Å; W234-F392 HydrophobicContact CH2-CD1 4.43Å; W234-F392 AromaticContact CH2-CE1 3.41Å; W234-F392 HydrophobicContact CH2-CE1 3.41Å; W234-F392 VanDerWaalsContact CH2-CE1 3.41Å; W234-F392 HydrophobicContact CH2-CE2 4.25Å; W234-F392 AromaticContact CH2-CZ 3.29Å; W234-F392 HydrophobicContact CH2-CZ 3.29Å; W234-F392 HydrophobicContact CZ2-CE1 4.05Å; W234-F392 AromaticContact CZ2-CZ 3.8Å; W234-F392 HydrophobicContact CZ2-CZ 3.8Å; W234-F392 HydrophobicContact CZ3-CD1 4.08Å; W234-F392 AromaticContact CZ3-CE1 3.34Å; W234-F392 HydrophobicContact CZ3-CE1 3.34Å; W234-F392 AromaticContact CZ3-CZ 3.77Å; W234-F392 HydrophobicContact CZ3-CZ 3.77Å; W234-M393 HydrophobicContact CH2-SD 4.11Å; W234-M393 HydrophobicContact CZ3-SD 4.25Å
235F93.2Very high97.6Very high3 Ų318.7 Ų18.71%0.0139%0.09CC..Hα-helixtrans-75.2-41.6-176.6-178.7-158.2000113.6R231 V232 A233 Y237 F238 T243 V245 A246 P247 Y365 F392R231-F235 WeakPolarHBondContact O-CB 3.36Å; R231-F235 PolarHBondContact O-N 3.15Å; V232-F235 PolarHBondContact O-N 3.17Å; A233-F235 VanDerWaalsContact C-N 3.26Å; A233-F235 PolarHBondContact O-N 3.44Å; F235-Y237 VanDerWaalsContact C-N 3.26Å; F235-Y237 PolarHBondContact O-N 3.41Å; F235-F238 PolarHBondContact O-N 2.91Å; F235-T243 HydrophobicContact CE2-CG2 4.14Å; F235-V245 WeakPolarHBondContact CE1-O 3.29Å; F235-V245 HydrophobicContact CE2-CG2 3.9Å; F235-V245 HydrophobicContact CZ-CB 3.9Å; F235-V245 HydrophobicContact CZ-CG2 3.48Å; F235-V245 VanDerWaalsContact CZ-CG2 3.48Å; F235-V245 WeakPolarHBondContact CZ-O 3.39Å; F235-A246 HydrophobicContact CE2-CB 4.25Å; F235-A246 HydrophobicContact CZ-CB 4.38Å; F235-P247 HydrophobicContact CD1-CG 4.14Å; F235-Y365 HydrophobicContact CE1-CE1 4.34Å; F235-Y365 AromaticContact CE1-CE2 3.83Å; F235-Y365 HydrophobicContact CE1-CE2 3.83Å; F235-Y365 AromaticContact CE1-CZ 3.57Å; F235-Y365 VanDerWaalsContact CE1-OH 3.24Å; F235-Y365 WeakPolarHBondContact CE1-OH 3.43Å; F235-F392 HydrophobicContact CB-CD1 4.08Å; F235-F392 HydrophobicContact CB-CE1 4.21Å; F235-F392 HydrophobicContact CD1-CB 4.48Å; F235-F392 AromaticContact CD1-CD1 3.88Å; F235-F392 HydrophobicContact CD1-CD1 3.88Å; F235-F392 HydrophobicContact CD2-CB 4.34Å; F235-F392 AromaticContact CD2-CD1 3.01Å; F235-F392 HydrophobicContact CD2-CD1 3.01Å; F235-F392 AromaticContact CD2-CE1 3.41Å; F235-F392 HydrophobicContact CD2-CE1 3.41Å; F235-F392 VanDerWaalsContact CD2-CE1 3.41Å; F235-F392 AromaticContact CD2-CG 3.94Å; F235-F392 HydrophobicContact CD2-CG 3.94Å; F235-F392 HydrophobicContact CE1-CB 3.86Å; F235-F392 HydrophobicContact CE1-CD1 4.04Å; F235-F392 HydrophobicContact CE1-CG 4.43Å; F235-F392 HydrophobicContact CE2-CB 3.67Å; F235-F392 AromaticContact CE2-CD1 3.19Å; F235-F392 HydrophobicContact CE2-CD1 3.19Å; F235-F392 AromaticContact CE2-CE1 3.92Å; F235-F392 HydrophobicContact CE2-CE1 3.92Å; F235-F392 AromaticContact CE2-CG 3.62Å; F235-F392 HydrophobicContact CE2-CG 3.62Å; F235-F392 AromaticContact CG-CD1 3.4Å; F235-F392 HydrophobicContact CG-CD1 3.4Å; F235-F392 AromaticContact CG-CE1 3.91Å; F235-F392 HydrophobicContact CG-CE1 3.91Å; F235-F392 HydrophobicContact CG-CG 4.46Å; F235-F392 HydrophobicContact CZ-CB 3.4Å; F235-F392 AromaticContact CZ-CD1 3.71Å; F235-F392 HydrophobicContact CZ-CD1 3.71Å; F235-F392 AromaticContact CZ-CG 3.9Å; F235-F392 HydrophobicContact CZ-CG 3.9Å
236R97.4Very high97.6Very high1 Ų117.9 Ų17.90%0.0049%0.085CC..Hα-helixtrans-59.8-39.4-179.8178.257.7179.8167.1-2.7112.1V232 A233 G241 P247 D248 I335 G337 I339 L340V232-R236 WeakPolarHBondContact O-CB 3.42Å; V232-R236 PolarHBondContact O-N 3.4Å; A233-R236 PolarHBondContact O-N 3.17Å; R236-G241 WeakPolarHBondContact O-CA 3.2Å; R236-G241 PolarHBondContact O-N 2.81Å; R236-P247 HydrophobicContact CB-CG 4.15Å; R236-P247 WeakPolarHBondContact CD-O 3.44Å; R236-P247 PolarHBondContact NH1-O 2.62Å; R236-P247 VanDerWaalsContact NH1-O 3.15Å; R236-D248 IonicContact NH1-OD2 2.87Å; R236-D248 IonicContact NH2-OD2 3.24Å; R236-I335 VanDerWaalsContact NH2-CB 3.25Å; R236-G337 PolarHBondContact NE-O 2.98Å; R236-G337 PolarHBondContact NH2-O 2.85Å; R236-I339 VanDerWaalsContact CZ-O 3.23Å; R236-I339 PolarHBondContact NE-O 3.46Å; R236-I339 PolarHBondContact NH2-O 3.39Å; R236-L340 HydrophobicContact CG-CB 4.15Å; R236-L340 HydrophobicContact CG-CD1 4.16Å
237Y98Very high97.5Very high0 Ų014.9 Ų14.90%07%0.071CC..Hα-helixtrans-100.1-7.6-172.1-54.6-56.9000113.2A233 F235 N239 A240 I268 Y272 P318 T319 V320 P338A233-Y237 HydrophobicContact CB-CD2 3.91Å; A233-Y237 HydrophobicContact CB-CE2 3.89Å; A233-Y237 WeakPolarHBondContact O-CB 3.1Å; A233-Y237 WeakPolarHBondContact O-CD2 3.45Å; A233-Y237 PolarHBondContact O-N 3.27Å; F235-Y237 VanDerWaalsContact C-N 3.26Å; F235-Y237 PolarHBondContact O-N 3.41Å; Y237-N239 PolarHBondContact O-N 3.18Å; Y237-A240 WeakPolarHBondContact O-CA 3.5Å; Y237-A240 PolarHBondContact O-N 2.84Å; Y237-I268 HydrophobicContact CD2-CG1 4.21Å; Y237-I268 HydrophobicContact CE2-CD1 3.66Å; Y237-I268 HydrophobicContact CE2-CG1 3.7Å; Y237-Y272 WeakPolarHBondContact CB-OH 3.47Å; Y237-Y272 HydrophobicContact CD2-CE2 4.39Å; Y237-Y272 HydrophobicContact CG-CE2 4.46Å; Y237-P318 HydrophobicContact CD1-CB 3.65Å; Y237-P318 HydrophobicContact CD1-CG 4.27Å; Y237-P318 HydrophobicContact CD2-CB 3.95Å; Y237-P318 VanDerWaalsContact CE1-CA 3.5Å; Y237-P318 HydrophobicContact CE1-CB 3.6Å; Y237-P318 HydrophobicContact CE2-CB 3.91Å; Y237-P318 HydrophobicContact CG-CB 3.83Å; Y237-P318 HydrophobicContact CG-CG 4.26Å; Y237-T319 PolarHBondContact OH-O 3.02Å; Y237-V320 WeakPolarHBondContact OH-CG2 3.44Å; Y237-P338 HydrophobicContact CD1-CB 3.88Å; Y237-P338 HydrophobicContact CE1-CB 4.32Å; Y237-P338 WeakPolarHBondContact CE1-O 3.49Å
238F96.1Very high97.5Very high4 Ų412.4 Ų12.42%0.0186%0.056CC..G310 helixtrans-55.5132.9167.8-164.8-94.1000110.5E58 L61 Y116 W234 F235 A240 G241E58-F238 HydrophobicContact CB-CE2 4.01Å; E58-F238 HydrophobicContact CB-CZ 3.83Å; E58-F238 HydrophobicContact CG-CD2 4.18Å; E58-F238 HydrophobicContact CG-CE2 3.53Å; E58-F238 HydrophobicContact CG-CZ 3.89Å; E58-F238 VanDerWaalsContact OE1-CD2 3.31Å; E58-F238 WeakPolarHBondContact OE1-CD2 3.49Å; L61-F238 HydrophobicContact CD2-CE2 4.49Å; Y116-F238 HydrophobicContact CE1-CE1 4.08Å; Y116-F238 WeakPolarHBondContact OH-CD1 3.36Å; W234-F238 VanDerWaalsContact O-CB 3.28Å; W234-F238 WeakPolarHBondContact O-CB 3.43Å; W234-F238 PolarHBondContact O-N 2.93Å; W234-F238 VanDerWaalsContact O-N 3.08Å; F235-F238 PolarHBondContact O-N 2.91Å; F238-A240 PolarHBondContact O-N 3.48Å; F238-A240 VanDerWaalsContact O-N 3.17Å; F238-G241 PolarHBondContact O-N 3.11Å
239N97.6Very high97.5Very high0 Ų012.4 Ų12.40%06%0.056CC..G310 helixtrans53.929.5-173.4-161.840000113.7K54 N115 Y116 Y237 G241 Q242K54-N239 WeakPolarHBondContact CE-OD1 3.36Å; N115-N239 PolarHBondContact O-ND2 3.3Å; Y116-N239 HydrophobicContact CE1-CB 4.47Å; Y116-N239 WeakPolarHBondContact OH-CB 3.49Å; Y237-N239 PolarHBondContact O-N 3.18Å; N239-G241 PolarHBondContact O-N 3.24Å; N239-Q242 PolarHBondContact ND2-O 2.84Å; N239-Q242 WeakPolarHBondContact O-CB 3.24Å; N239-Q242 PolarHBondContact O-N 2.76Å; N239-Q242 PolarHBondContact O-NE2 2.65Å; N239-Q242 VanDerWaalsContact O-NE2 3.13Å
240A98.1Very high97.6Very high2 Ų212.4 Ų12.42%0.0176%0.056CC..G310 helixtrans53.832.5-171.700000113.6Y237 F238 Q242 I285 G337 P338Y237-A240 WeakPolarHBondContact O-CA 3.5Å; Y237-A240 PolarHBondContact O-N 2.84Å; F238-A240 PolarHBondContact O-N 3.48Å; F238-A240 VanDerWaalsContact O-N 3.17Å; A240-Q242 PolarHBondContact O-N 3.47Å; A240-I285 HydrophobicContact CB-CD1 4.33Å; A240-G337 CarbonylContact O-C 3.57Å; A240-G337 VanDerWaalsContact O-CA 3.24Å; A240-G337 WeakPolarHBondContact O-CA 3.47Å; A240-P338 WeakPolarHBondContact O-CD 3.25Å; A240-P338 VanDerWaalsContact O-N 3.13Å
241G97.8Very high97.6Very high0 Ų010.4 Ų10.40%05%0.045CC..G310 helixtrans73.78.9178.200000115.8R236 F238 N239 T243 F336 G337R236-G241 WeakPolarHBondContact O-CA 3.2Å; R236-G241 PolarHBondContact O-N 2.81Å; F238-G241 PolarHBondContact O-N 3.11Å; N239-G241 PolarHBondContact O-N 3.24Å; G241-T243 PolarHBondContact O-N 2.99Å; G241-F336 CarbonylContact O-C 3.56Å; G241-F336 VanDerWaalsContact O-C 3.3Å; G241-F336 WeakPolarHBondContact O-CA 3.33Å; G241-G337 PolarHBondContact O-N 3.42Å
242Q98.6Very high97.6Very high0 Ų05.9 Ų5.90%03%0.028CC..  trans-79.959.6177.7-61.5170.6115.900110.7W114 N115 N239 A240 R284 F336W114-Q242 HydrophobicContact CH2-CB 4.02Å; W114-Q242 HydrophobicContact CH2-CG 4.09Å; W114-Q242 HydrophobicContact CZ3-CB 3.95Å; W114-Q242 HydrophobicContact CZ3-CG 4.18Å; N115-Q242 HydrophobicContact CB-CB 4.48Å; N115-Q242 VanDerWaalsContact CB-O 3.25Å; N115-Q242 WeakPolarHBondContact CB-O 3.27Å; N115-Q242 PolarHBondContact ND2-O 2.62Å; N239-Q242 PolarHBondContact ND2-O 2.84Å; N239-Q242 WeakPolarHBondContact O-CB 3.24Å; N239-Q242 PolarHBondContact O-N 2.76Å; N239-Q242 PolarHBondContact O-NE2 2.65Å; N239-Q242 VanDerWaalsContact O-NE2 3.13Å; A240-Q242 PolarHBondContact O-N 3.47Å; Q242-R284 PolarHBondContact NE2-O 3.34Å; Q242-F336 HydrophobicContact CB-CD1 3.87Å; Q242-F336 HydrophobicContact CB-CE1 3.8Å; Q242-F336 HydrophobicContact CG-CD1 4.29Å
243T97.8Very high97.6Very high10 Ų106.2 Ų6.26%0.0613%0.03CC..  trans-141.3124.6-170-50.60000110.3Y116 F235 G241 V245 A246 F336Y116-T243 HydrophobicContact CE2-CG2 3.74Å; Y116-T243 PolarHBondContact OH-OG1 3.43Å; F235-T243 HydrophobicContact CE2-CG2 4.14Å; G241-T243 PolarHBondContact O-N 2.99Å; T243-V245 HydrophobicContact CG2-CG2 3.58Å; T243-V245 PolarHBondContact O-N 3.12Å; T243-V245 VanDerWaalsContact O-N 3.1Å; T243-A246 WeakPolarHBondContact O-CB 3.38Å; T243-A246 PolarHBondContact O-N 3.24Å; T243-F336 VanDerWaalsContact C-CE2 3.5Å
244C97.2Very high97.6Very high18 Ų188.9 Ų8.912%0.1225%0.048CC..THydrogen-bonded Turntrans-63.1-19.6-17554.30000114.3N215 F336 L362N215-C244 PolarHBondContact ND2-O 2.85Å; C244-F336 HydrophobicContact CB-CE2 4.26Å; C244-L362 HydrophobicContact CB-CD2 3.76Å; C244-L362 VanDerWaalsContact SG-CD2 3.57Å
245V96.9Very high97.7Very high1 Ų111 Ų111%0.0066%0.06CC..THydrogen-bonded Turntrans-101.9-6.8176.1-70.50000113.4N215 F235 T243 L362 A363 Y365 F392 M395 F402N215-V245 VanDerWaalsContact ND2-CA 3.3Å; N215-V245 WeakPolarHBondContact ND2-CA 2.95Å; N215-V245 PolarHBondContact ND2-O 3.12Å; F235-V245 WeakPolarHBondContact CE1-O 3.29Å; F235-V245 HydrophobicContact CE2-CG2 3.9Å; F235-V245 HydrophobicContact CZ-CB 3.9Å; F235-V245 HydrophobicContact CZ-CG2 3.48Å; F235-V245 VanDerWaalsContact CZ-CG2 3.48Å; F235-V245 WeakPolarHBondContact CZ-O 3.39Å; T243-V245 HydrophobicContact CG2-CG2 3.58Å; T243-V245 PolarHBondContact O-N 3.12Å; T243-V245 VanDerWaalsContact O-N 3.1Å; V245-L362 HydrophobicContact CG1-CD2 3.58Å; V245-L362 HydrophobicContact CG1-CG 3.94Å; V245-A363 HydrophobicContact CB-CB 4.19Å; V245-A363 HydrophobicContact CG1-CB 4.13Å; V245-Y365 VanDerWaalsContact O-CE2 3.29Å; V245-Y365 WeakPolarHBondContact O-CE2 3.4Å; V245-Y365 PolarHBondContact O-OH 3.18Å; V245-F392 HydrophobicContact CG2-CB 4.05Å; V245-M395 HydrophobicContact CB-SD 3.93Å; V245-M395 HydrophobicContact CG1-CE 4.44Å; V245-M395 HydrophobicContact CG1-SD 3.66Å; V245-M395 HydrophobicContact CG2-CE 4.18Å; V245-M395 HydrophobicContact CG2-SD 3.26Å; V245-M395 WeakPolarHBondContact CG2-SD 3.28Å; V245-F402 HydrophobicContact CG1-CE2 3.83Å; V245-F402 HydrophobicContact CG1-CZ 4.13Å
246A97.4Very high98Very high1 Ų110.8 Ų10.81%0.0086%0.06CC..SBendtrans-55.1142.2-178.900000110.5N215 F235 T243 D248N215-A246 WeakPolarHBondContact CB-O 3.43Å; N215-A246 PolarHBondContact ND2-O 2.65Å; F235-A246 HydrophobicContact CE2-CB 4.25Å; F235-A246 HydrophobicContact CZ-CB 4.38Å; T243-A246 WeakPolarHBondContact O-CB 3.38Å; T243-A246 PolarHBondContact O-N 3.24Å; A246-D248 PolarHBondContact O-N 3.45Å
247P97.3Very high98Very high2 Ų211.7 Ų11.71%0.0136%0.064CC..EExtended strand (participates in β ladder)trans-57.1115.8171.526-35.3000106.6C217 V232 F235 R236 Y365C217-P247 HydrophobicContact CB-CB 3.94Å; V232-P247 HydrophobicContact CG1-CG 4.3Å; F235-P247 HydrophobicContact CD1-CG 4.14Å; R236-P247 HydrophobicContact CB-CG 4.15Å; R236-P247 WeakPolarHBondContact CD-O 3.44Å; R236-P247 PolarHBondContact NH1-O 2.62Å; R236-P247 VanDerWaalsContact NH1-O 3.15Å; P247-Y365 HydrophobicContact CB-CD2 4.25Å
248D98.5Very high98Very high3 Ų318.7 Ų18.72%0.01610%0.096CC..EExtended strand (participates in β ladder)trans-86.2-31.5-173.3-165.4-104.6000110.2K214 N215 R236 A246 I335 P341K214-D248 HydrophobicContact CB-CB 4.18Å; K214-D248 WeakPolarHBondContact CE-OD1 3.46Å; K214-D248 WeakPolarHBondContact CG-OD1 3.41Å; K214-D248 IonicContact NZ-OD1 3.34Å; K214-D248 PolarHBondContact NZ-OD1 2.6Å; N215-D248 PolarHBondContact O-N 2.94Å; R236-D248 IonicContact NH1-OD2 2.87Å; R236-D248 IonicContact NH2-OD2 3.24Å; A246-D248 PolarHBondContact O-N 3.45Å; D248-I335 VanDerWaalsContact O-CD1 3.29Å; D248-I335 WeakPolarHBondContact O-CD1 3.3Å; D248-I335 WeakPolarHBondContact OD2-CB 3.44Å; D248-I335 PolarHBondContact OD2-N 3.45Å; D248-P341 VanDerWaalsContact O-CD 3.25Å; D248-P341 WeakPolarHBondContact O-CD 3.45Å
249Y98.8Very high98.2Very high2 Ų223.8 Ų23.81%0.00812%0.116CC..EExtended strand (participates in β ladder)trans-151.1158.1172.862-82.1000111.1K214 P216 C217 L251 M331 P341 F354K214-Y249 HydrophobicContact CB-CD1 4.06Å; K214-Y249 HydrophobicContact CB-CE1 3.69Å; P216-Y249 HydrophobicContact CB-CE1 4.24Å; P216-Y249 HydrophobicContact CB-CE2 3.88Å; P216-Y249 WeakPolarHBondContact CB-OH 3.26Å; C217-Y249 PolarHBondContact N-O 3.01Å; Y249-L251 HydrophobicContact CD2-CD2 3.91Å; Y249-L251 HydrophobicContact CD2-CG 3.97Å; Y249-L251 HydrophobicContact CE2-CD1 3.94Å; Y249-L251 HydrophobicContact CE2-CD2 3.73Å; Y249-L251 HydrophobicContact CE2-CG 3.66Å; Y249-M331 HydrophobicContact CD1-CE 4.14Å; Y249-M331 HydrophobicContact CD2-CE 3.98Å; Y249-M331 HydrophobicContact CE2-CE 4.39Å; Y249-M331 HydrophobicContact CG-CE 3.83Å; Y249-M331 HydrophobicContact CG-SD 4.39Å; Y249-P341 CarbonylContact C-O 3.45Å; Y249-P341 WeakPolarHBondContact CA-O 3.41Å; Y249-F354 HydrophobicContact CD2-CE1 4.28Å; Y249-F354 AromaticContact CE2-CD1 3.97Å; Y249-F354 HydrophobicContact CE2-CD1 3.97Å; Y249-F354 AromaticContact CE2-CE1 3.46Å; Y249-F354 HydrophobicContact CE2-CE1 3.46Å; Y249-F354 VanDerWaalsContact CE2-CE1 3.46Å; Y249-F354 HydrophobicContact CE2-CZ 4.45Å; Y249-F354 AromaticContact CZ-CE1 3.82Å
250V98.9Very high98.2Very high0 Ų023.8 Ų23.80%012%0.116CC..EExtended strand (participates in β ladder)trans-104.6138.6174.1171.20000110.2C217 V219 V232 C252 L260 L340 P341 I342 V343C217-V250 HydrophobicContact CB-CG2 4.16Å; C217-V250 CarbonylContact O-C 3.51Å; C217-V250 VanDerWaalsContact O-CA 3.28Å; C217-V250 WeakPolarHBondContact O-CA 3.18Å; V219-V250 HydrophobicContact CB-CG1 4.47Å; V219-V250 HydrophobicContact CG2-CG1 3.88Å; V232-V250 HydrophobicContact CG1-CG2 4.27Å; V250-C252 HydrophobicContact CG1-CB 4.31Å; V250-L260 HydrophobicContact CG1-CD2 4.29Å; V250-L340 HydrophobicContact CG2-CD1 4.16Å; V250-L340 HydrophobicContact CG2-CD2 4.23Å; V250-L340 HydrophobicContact CG2-CG 4.37Å; V250-P341 PolarHBondContact N-O 2.9Å; V250-I342 HydrophobicContact CB-CG1 4.25Å; V250-I342 HydrophobicContact CB-CG2 4.46Å; V250-I342 HydrophobicContact CG1-CG2 4.28Å; V250-V343 PolarHBondContact O-N 3.07Å
251L98.9Very high98.2Very high0 Ų025.5 Ų25.50%012%0.124CC..EExtended strand (participates in β ladder)trans-111.6120.3168.7-62.3176.5000108.6C217 Y218 V219 Y249 V343 V345 A351 F354 I355C217-L251 PolarHBondContact O-N 3.43Å; Y218-L251 CarbonylContact C-O 3.56Å; Y218-L251 WeakPolarHBondContact CA-O 3.49Å; Y218-L251 HydrophobicContact CD2-CB 4.18Å; V219-L251 PolarHBondContact N-O 3.23Å; Y249-L251 HydrophobicContact CD2-CD2 3.91Å; Y249-L251 HydrophobicContact CD2-CG 3.97Å; Y249-L251 HydrophobicContact CE2-CD1 3.94Å; Y249-L251 HydrophobicContact CE2-CD2 3.73Å; Y249-L251 HydrophobicContact CE2-CG 3.66Å; L251-V343 WeakPolarHBondContact CA-O 3.46Å; L251-V343 HydrophobicContact CD2-CB 3.89Å; L251-V343 HydrophobicContact CD2-CG1 4.17Å; L251-V345 HydrophobicContact CB-CG2 4.12Å; L251-V345 HydrophobicContact CD2-CG1 3.99Å; L251-A351 HydrophobicContact CB-CB 4.47Å; L251-A351 HydrophobicContact CD1-CB 4.05Å; L251-F354 HydrophobicContact CD1-CB 4.36Å; L251-F354 HydrophobicContact CD1-CD1 3.91Å; L251-F354 HydrophobicContact CD1-CG 4.32Å; L251-F354 HydrophobicContact CD2-CD1 3.83Å; L251-F354 HydrophobicContact CD2-CD2 4.43Å; L251-F354 HydrophobicContact CD2-CE1 3.92Å; L251-F354 HydrophobicContact CD2-CG 4.11Å; L251-F354 HydrophobicContact CD2-CZ 4.3Å; L251-F354 HydrophobicContact CG-CD1 4.46Å; L251-I355 HydrophobicContact CD1-CD1 4.01Å; L251-I355 HydrophobicContact CD1-CG1 3.83Å
252C98.7Very high98.3Very high0 Ų029.3 Ų29.30%015%0.149CC..EExtended strand (participates in β ladder)trans-154.6170.3176.464.30000112.1V219 V250 M256 I342 V343 N344 V345V219-C252 HydrophobicContact CB-CB 4.12Å; V219-C252 WeakPolarHBondContact O-CB 3.25Å; V250-C252 HydrophobicContact CG1-CB 4.31Å; C252-M256 HydrophobicContact CB-CB 4.02Å; C252-M256 HydrophobicContact CB-CG 4.04Å; C252-I342 VanDerWaalsContact SG-CG2 3.52Å; C252-V343 PolarHBondContact N-O 2.96Å; C252-N344 CarbonylContact O-C 3.58Å; C252-N344 WeakPolarHBondContact O-CA 3.16Å; C252-V345 PolarHBondContact O-N 3.06Å
253S98.5Very high98.3Very high10 Ų1029.6 Ų29.67%0.0715%0.152CC..  trans-67160.6171.171.80000111.6D221 E255 M256 Q257 N344 V345D221-S253 VanDerWaalsContact OD1-CB 3.29Å; D221-S253 WeakPolarHBondContact OD1-CB 3.43Å; D221-S253 PolarHBondContact OD1-OG 2.91Å; S253-E255 WeakPolarHBondContact CB-OE2 3.27Å; S253-E255 PolarHBondContact O-N 3.46Å; S253-E255 PolarHBondContact OG-N 3.13Å; S253-E255 PolarHBondContact OG-OE2 3.46Å; S253-M256 PolarHBondContact O-N 3.31Å; S253-M256 WeakPolarHBondContact OG-CB 3.28Å; S253-M256 PolarHBondContact OG-N 2.94Å; S253-Q257 PolarHBondContact O-N 3.47Å; S253-N344 PolarHBondContact O-ND2 3.38Å; S253-V345 WeakPolarHBondContact CA-O 3.1Å
254P98.3Very high98.4Very high57 Ų5729.1 Ų29.137%0.3715%0.149SC..Hα-helixtrans-53.4-42.3167.8-25.935.8000112.8M256 Q257 E258 N344P254-M256 PolarHBondContact O-N 3.15Å; P254-Q257 WeakPolarHBondContact O-CB 3.29Å; P254-Q257 PolarHBondContact O-N 2.84Å; P254-E258 PolarHBondContact O-N 2.87Å; P254-N344 HydrophobicContact CG-CB 4.2Å
255E98.2Very high98.4Very high116 Ų11632 Ų3254%0.54216%0.16SC..Hα-helixtrans-64.5-39.5-179.4-6477.7-173.400111.9S253 R259S253-E255 WeakPolarHBondContact CB-OE2 3.27Å; S253-E255 PolarHBondContact O-N 3.46Å; S253-E255 PolarHBondContact OG-N 3.13Å; S253-E255 PolarHBondContact OG-OE2 3.46Å; E255-R259 WeakPolarHBondContact O-CG 3.47Å; E255-R259 PolarHBondContact O-N 3.29Å
256M98.4Very high98.5Very high0 Ų034.9 Ų34.90%018%0.18CC..Hα-helixtrans-72.2-35.7175.1-174.358.4-16800111.7V219 D221 C223 P225 V228 C252 S253 P254 R259 L260V219-M256 HydrophobicContact CG1-CE 3.53Å; V219-M256 HydrophobicContact CG1-CG 3.89Å; V219-M256 HydrophobicContact CG1-SD 4.4Å; D221-M256 WeakPolarHBondContact OD1-CB 3.15Å; C223-M256 HydrophobicContact CB-CE 4.49Å; P225-M256 HydrophobicContact CB-CE 3.75Å; V228-M256 HydrophobicContact CG2-CE 4.49Å; C252-M256 HydrophobicContact CB-CB 4.02Å; C252-M256 HydrophobicContact CB-CG 4.04Å; S253-M256 PolarHBondContact O-N 3.31Å; S253-M256 WeakPolarHBondContact OG-CB 3.28Å; S253-M256 PolarHBondContact OG-N 2.94Å; P254-M256 PolarHBondContact O-N 3.15Å; M256-R259 PolarHBondContact O-N 3.11Å; M256-L260 HydrophobicContact CE-CB 4.38Å; M256-L260 HydrophobicContact CE-CD1 4.38Å; M256-L260 WeakPolarHBondContact O-CB 3.39Å; M256-L260 PolarHBondContact O-N 2.86Å
257Q98.6Very high98.6Very high20 Ų2034.8 Ų34.89%0.09318%0.18CC..Hα-helixtrans-58.1-48.7172.9174.9174.1-6400111.4S253 P254 R259 L260 L261 V322 I342 N344S253-Q257 PolarHBondContact O-N 3.47Å; P254-Q257 WeakPolarHBondContact O-CB 3.29Å; P254-Q257 PolarHBondContact O-N 2.84Å; Q257-R259 PolarHBondContact O-N 2.98Å; Q257-L260 PolarHBondContact O-N 3.03Å; Q257-L260 VanDerWaalsContact O-N 3.08Å; Q257-L261 HydrophobicContact CG-CD1 4.13Å; Q257-L261 HydrophobicContact CG-CG 4.25Å; Q257-L261 WeakPolarHBondContact O-CG 3.35Å; Q257-L261 PolarHBondContact O-N 2.92Å; Q257-V322 HydrophobicContact CG-CG1 4.41Å; Q257-I342 HydrophobicContact CB-CG2 4.3Å; Q257-I342 HydrophobicContact CG-CG2 4.12Å; Q257-N344 PolarHBondContact OE1-ND2 3.44Å; Q257-N344 PolarHBondContact OE1-OD1 2.9Å; Q257-N344 VanDerWaalsContact OE1-OD1 3.11Å
258E98.4Very high98.6Very high146 Ų14635 Ų3568%0.68218%0.181SC*.Hα-helixtrans-56.6-38.3178.3-72.9-178.5-18000112.4P254 P262P254-E258 PolarHBondContact O-N 2.87Å; E258-P262 WeakPolarHBondContact O-CD 3.49Å
259R98.6Very high98.6Very high112 Ų11236.9 Ų36.942%0.42319%0.192SC..Hα-helixtrans-76.8-33176.8-69.3171.562.4-155.3-4.8113.1D221 C223 P225 E255 M256 Q257D221-R259 PolarHBondContact O-NH1 2.7Å; C223-R259 PolarHBondContact O-NH2 2.91Å; P225-R259 HydrophobicContact CB-CB 4.19Å; P225-R259 VanDerWaalsContact CD-NH2 3.3Å; P225-R259 HydrophobicContact CG-CB 4.18Å; E255-R259 WeakPolarHBondContact O-CG 3.47Å; E255-R259 PolarHBondContact O-N 3.29Å; M256-R259 PolarHBondContact O-N 3.11Å; Q257-R259 PolarHBondContact O-N 2.98Å
260L98.8Very high98.6Very high0 Ų044.1 Ų44.10%022%0.22CC..Hα-helixtrans-80.2-35.3-173.7-174.461.8000112.6P225 V228 A229 V250 M256 Q257 A263 L264 I342P225-L260 HydrophobicContact CB-CD1 4.5Å; V228-L260 HydrophobicContact CB-CD1 4.12Å; V228-L260 HydrophobicContact CG1-CD1 3.93Å; A229-L260 HydrophobicContact CB-CD1 4.08Å; V250-L260 HydrophobicContact CG1-CD2 4.29Å; M256-L260 HydrophobicContact CE-CB 4.38Å; M256-L260 HydrophobicContact CE-CD1 4.38Å; M256-L260 WeakPolarHBondContact O-CB 3.39Å; M256-L260 PolarHBondContact O-N 2.86Å; Q257-L260 PolarHBondContact O-N 3.03Å; Q257-L260 VanDerWaalsContact O-N 3.08Å; L260-A263 WeakPolarHBondContact O-CB 3.49Å; L260-A263 PolarHBondContact O-N 3.16Å; L260-L264 HydrophobicContact CD1-CD1 4.43Å; L260-L264 HydrophobicContact CD1-CG 4.18Å; L260-L264 HydrophobicContact CD2-CD1 4.2Å; L260-L264 HydrophobicContact CG-CD1 3.78Å; L260-L264 HydrophobicContact CG-CG 4.03Å; L260-L264 WeakPolarHBondContact O-CB 3.33Å; L260-L264 WeakPolarHBondContact O-CG 3.4Å; L260-L264 PolarHBondContact O-N 3.32Å; L260-I342 HydrophobicContact CD2-CD1 4.45Å
261L98.8Very high98.6Very high37 Ų3746.8 Ų46.819%0.19423%0.232CC..Hα-helixtrans-55.1-55.1179-73.9175.1000113.9Q257 A263 L264 Q265 A304 I305 V320 V322 I342Q257-L261 HydrophobicContact CG-CD1 4.13Å; Q257-L261 HydrophobicContact CG-CG 4.25Å; Q257-L261 WeakPolarHBondContact O-CG 3.35Å; Q257-L261 PolarHBondContact O-N 2.92Å; L261-A263 VanDerWaalsContact C-N 3.26Å; L261-A263 PolarHBondContact O-N 2.8Å; L261-L264 PolarHBondContact O-N 2.94Å; L261-Q265 PolarHBondContact O-N 3.31Å; L261-A304 HydrophobicContact CD1-CB 4.45Å; L261-A304 HydrophobicContact CD2-CB 3.91Å; L261-I305 HydrophobicContact CD2-CD1 4.38Å; L261-I305 WeakPolarHBondContact O-CD1 3.2Å; L261-V320 HydrophobicContact CD2-CG1 3.83Å; L261-V322 HydrophobicContact CD1-CG1 4.16Å; L261-V322 HydrophobicContact CD2-CG1 3.96Å; L261-I342 HydrophobicContact CD2-CD1 3.97Å
262P98.7Very high98.6Very high80 Ų8047.6 Ų47.652%0.51923%0.234SC..Hα-helixtrans-63.6-33.3178.724.4-33.8000112.4E258 Q265 S266E258-P262 WeakPolarHBondContact O-CD 3.49Å; P262-Q265 PolarHBondContact O-N 2.9Å; P262-S266 WeakPolarHBondContact O-CB 3.41Å; P262-S266 PolarHBondContact O-N 3.14Å
263A98.8Very high98.5Very high7 Ų749.1 Ų49.16%0.05825%0.251CS..Hα-helixtrans-66.1-42.9175.200000111.9P225 A229 L260 L261 S266 T267P225-A263 HydrophobicContact CB-CB 4.21Å; A229-A263 VanDerWaalsContact CB-C 3.47Å; A229-A263 HydrophobicContact CB-CB 3.68Å; L260-A263 WeakPolarHBondContact O-CB 3.49Å; L260-A263 PolarHBondContact O-N 3.16Å; L261-A263 VanDerWaalsContact C-N 3.26Å; L261-A263 PolarHBondContact O-N 2.8Å; A263-S266 PolarHBondContact O-N 3.36Å; A263-T267 WeakPolarHBondContact O-CB 3.18Å; A263-T267 PolarHBondContact O-N 3.46Å; A263-T267 PolarHBondContact O-OG1 3.44Å
264L98.9Very high98.4Very high0 Ų056 Ų560%029%0.287CS..Hα-helixtrans-62.7-45.8174.5-77.7169.9000111.4A229 A233 L260 L261 S266 T267 I268 I305 V320 L340 I342A229-L264 HydrophobicContact CB-CD2 3.93Å; A229-L264 HydrophobicContact CB-CG 4.06Å; A233-L264 HydrophobicContact CB-CD2 4.16Å; L260-L264 HydrophobicContact CD1-CD1 4.43Å; L260-L264 HydrophobicContact CD1-CG 4.18Å; L260-L264 HydrophobicContact CD2-CD1 4.2Å; L260-L264 HydrophobicContact CG-CD1 3.78Å; L260-L264 HydrophobicContact CG-CG 4.03Å; L260-L264 WeakPolarHBondContact O-CB 3.33Å; L260-L264 WeakPolarHBondContact O-CG 3.4Å; L260-L264 PolarHBondContact O-N 3.32Å; L261-L264 PolarHBondContact O-N 2.94Å; L264-S266 PolarHBondContact O-N 2.91Å; L264-T267 PolarHBondContact O-N 3.44Å; L264-I268 WeakPolarHBondContact O-CB 3.31Å; L264-I268 WeakPolarHBondContact O-CD1 3.36Å; L264-I268 WeakPolarHBondContact O-CG1 3.44Å; L264-I268 PolarHBondContact O-N 2.88Å; L264-I305 HydrophobicContact CB-CD1 3.92Å; L264-V320 HydrophobicContact CD1-CG1 4.41Å; L264-V320 HydrophobicContact CD1-CG2 4.17Å; L264-L340 HydrophobicContact CD1-CD2 4.48Å; L264-I342 HydrophobicContact CD1-CD1 4.13Å
265Q98.8Very high98.4Very high78 Ų7857.1 Ų57.136%0.36429%0.29SS..Hα-helixtrans-57.6-50.8176.3177.762.966.300111L261 P262 T267 I268 T269 I305L261-Q265 PolarHBondContact O-N 3.31Å; P262-Q265 PolarHBondContact O-N 2.9Å; Q265-T267 VanDerWaalsContact C-N 3.33Å; Q265-T267 PolarHBondContact O-N 2.99Å; Q265-I268 PolarHBondContact O-N 3.06Å; Q265-T269 PolarHBondContact NE2-OG1 3.48Å; Q265-T269 PolarHBondContact O-N 3.03Å; Q265-T269 PolarHBondContact O-OG1 3.01Å; Q265-I305 HydrophobicContact CB-CD1 3.89Å; Q265-I305 HydrophobicContact CB-CG1 4.31Å; Q265-I305 VanDerWaalsContact OE1-CG2 3.32Å
266S98.7Very high98.4Very high61 Ų6152.6 Ų52.643%0.42727%0.27SS..Hα-helixtrans-57.2-45.1177.61770000111.9P262 A263 L264 R270P262-S266 WeakPolarHBondContact O-CB 3.41Å; P262-S266 PolarHBondContact O-N 3.14Å; A263-S266 PolarHBondContact O-N 3.36Å; L264-S266 PolarHBondContact O-N 2.91Å; S266-R270 VanDerWaalsContact O-CB 3.26Å; S266-R270 WeakPolarHBondContact O-CB 3.38Å; S266-R270 PolarHBondContact O-N 3.14Å
267T98.8Very high98.3Very high0 Ų055.1 Ų55.10%028%0.282CS..Hα-helixtrans-64.2-46.1177.6-660000112.4Q226 N230 A233 A263 L264 Q265 R270 F271Q226-T267 PolarHBondContact NE2-OG1 2.95Å; N230-T267 PolarHBondContact OD1-OG1 3.2Å; A233-T267 HydrophobicContact CB-CG2 3.66Å; A263-T267 WeakPolarHBondContact O-CB 3.18Å; A263-T267 PolarHBondContact O-N 3.46Å; A263-T267 PolarHBondContact O-OG1 3.44Å; L264-T267 PolarHBondContact O-N 3.44Å; Q265-T267 VanDerWaalsContact C-N 3.33Å; Q265-T267 PolarHBondContact O-N 2.99Å; T267-R270 PolarHBondContact O-N 3.48Å; T267-F271 HydrophobicContact CG2-CD1 4.41Å; T267-F271 HydrophobicContact CG2-CD2 3.76Å; T267-F271 HydrophobicContact CG2-CE1 4.08Å; T267-F271 HydrophobicContact CG2-CE2 3.35Å; T267-F271 HydrophobicContact CG2-CG 4.28Å; T267-F271 HydrophobicContact CG2-CZ 3.54Å; T267-F271 WeakPolarHBondContact O-CB 3.42Å; T267-F271 VanDerWaalsContact O-CG 3.31Å; T267-F271 WeakPolarHBondContact O-CG 3.31Å; T267-F271 PolarHBondContact O-N 2.79Å
268I98.7Very high98.3Very high6 Ų658.4 Ų58.43%0.03131%0.307CS..Hα-helixtrans-61.1-49-179.7-71.9163.6000109.9A233 Y237 L264 Q265 R270 F271 Y272 I305 P318 V320A233-I268 HydrophobicContact CB-CG1 4.41Å; Y237-I268 HydrophobicContact CD2-CG1 4.21Å; Y237-I268 HydrophobicContact CE2-CD1 3.66Å; Y237-I268 HydrophobicContact CE2-CG1 3.7Å; L264-I268 WeakPolarHBondContact O-CB 3.31Å; L264-I268 WeakPolarHBondContact O-CD1 3.36Å; L264-I268 WeakPolarHBondContact O-CG1 3.44Å; L264-I268 PolarHBondContact O-N 2.88Å; Q265-I268 PolarHBondContact O-N 3.06Å; I268-R270 VanDerWaalsContact C-N 3.3Å; I268-R270 PolarHBondContact O-N 3.47Å; I268-F271 PolarHBondContact O-N 3.17Å; I268-Y272 HydrophobicContact CG2-CD2 4.32Å; I268-Y272 PolarHBondContact O-N 3.47Å; I268-I305 HydrophobicContact CD1-CG2 3.9Å; I268-P318 HydrophobicContact CD1-CB 4.22Å; I268-P318 HydrophobicContact CG1-CB 4.28Å; I268-P318 HydrophobicContact CG2-CB 3.8Å; I268-P318 HydrophobicContact CG2-CG 4.17Å; I268-V320 HydrophobicContact CD1-CG2 4.4Å
269T98.6Very high98.2Very high42 Ų4252 Ų5226%0.25828%0.278SS..Hα-helixtrans-60.2-40.7175.9-60.80000111.4Q265 F271 G273 D274Q265-T269 PolarHBondContact NE2-OG1 3.48Å; Q265-T269 PolarHBondContact O-N 3.03Å; Q265-T269 PolarHBondContact O-OG1 3.01Å; T269-F271 VanDerWaalsContact C-N 3.34Å; T269-F271 PolarHBondContact O-N 2.85Å; T269-G273 CarbonylContact O-C 3.59Å; T269-G273 WeakPolarHBondContact O-CA 3.49Å; T269-G273 PolarHBondContact O-N 2.95Å; T269-D274 VanDerWaalsContact CG2-OD1 3.23Å; T269-D274 WeakPolarHBondContact CG2-OD1 3.19Å
270R98.6Very high98.1Very high155 Ų15551.4 Ų51.459%0.58529%0.289SS*.Hα-helixtrans-64.8-35.6176.7-176.6173.367.2121.4-2.5113.2N230 S266 T267 I268N230-R270 PolarHBondContact ND2-NH2 2.84Å; N230-R270 PolarHBondContact OD1-NH2 2.86Å; S266-R270 VanDerWaalsContact O-CB 3.26Å; S266-R270 WeakPolarHBondContact O-CB 3.38Å; S266-R270 PolarHBondContact O-N 3.14Å; T267-R270 PolarHBondContact O-N 3.48Å; I268-R270 VanDerWaalsContact C-N 3.3Å; I268-R270 PolarHBondContact O-N 3.47Å
271F98.3Very high97.9Very high56 Ų5654.9 Ų54.925%0.24631%0.308CS..Hα-helixtrans-80.9-39.5-177.6-71-6.3000112.8A233 W234 T267 I268 T269A233-F271 HydrophobicContact CB-CE2 4.39Å; W234-F271 HydrophobicContact CB-CE2 3.82Å; W234-F271 HydrophobicContact CB-CZ 4.38Å; T267-F271 HydrophobicContact CG2-CD1 4.41Å; T267-F271 HydrophobicContact CG2-CD2 3.76Å; T267-F271 HydrophobicContact CG2-CE1 4.08Å; T267-F271 HydrophobicContact CG2-CE2 3.35Å; T267-F271 HydrophobicContact CG2-CG 4.28Å; T267-F271 HydrophobicContact CG2-CZ 3.54Å; T267-F271 WeakPolarHBondContact O-CB 3.42Å; T267-F271 VanDerWaalsContact O-CG 3.31Å; T267-F271 WeakPolarHBondContact O-CG 3.31Å; T267-F271 PolarHBondContact O-N 2.79Å; I268-F271 PolarHBondContact O-N 3.17Å; T269-F271 VanDerWaalsContact C-N 3.34Å; T269-F271 PolarHBondContact O-N 2.85Å
272Y98.3Very high97.8Very high16 Ų1653.3 Ų53.36%0.06330%0.299CS..Hα-helixtrans-119.1-5.4-168.6-54.6-66.1000114.1Y237 I268 S279 N281 L282 P318Y237-Y272 WeakPolarHBondContact CB-OH 3.47Å; Y237-Y272 HydrophobicContact CD2-CE2 4.39Å; Y237-Y272 HydrophobicContact CG-CE2 4.46Å; I268-Y272 HydrophobicContact CG2-CD2 4.32Å; I268-Y272 PolarHBondContact O-N 3.47Å; Y272-S279 WeakPolarHBondContact O-CB 3.41Å; Y272-N281 HydrophobicContact CD1-CB 4.42Å; Y272-N281 HydrophobicContact CE1-CB 4.33Å; Y272-N281 WeakPolarHBondContact CE1-O 3.28Å; Y272-L282 HydrophobicContact CD1-CB 3.91Å; Y272-L282 HydrophobicContact CE1-CB 4.09Å; Y272-L282 HydrophobicContact CE1-CD1 4.17Å; Y272-P318 HydrophobicContact CD2-CG 3.95Å; Y272-P318 HydrophobicContact CE2-CG 4.18Å
273G97.9Very high97.8Very high33 Ų3349.6 Ų49.634%0.3428%0.276SS..  trans84.5-178.9-175.900000113.1T269 D275T269-G273 CarbonylContact O-C 3.59Å; T269-G273 WeakPolarHBondContact O-CA 3.49Å; T269-G273 PolarHBondContact O-N 2.95Å; G273-D275 VanDerWaalsContact C-N 3.25Å; G273-D275 PolarHBondContact O-N 2.81Å
274D96.6Very high97.8Very high154 Ų15450.2 Ų50.282%0.82428%0.277SS*.SBendtrans-70.5-23.9176.8-63.4-44.5000112.6T269T269-D274 VanDerWaalsContact CG2-OD1 3.23Å; T269-D274 WeakPolarHBondContact CG2-OD1 3.19Å
275D97.1Very high97.8Very high81 Ų8150.2 Ų50.243%0.43328%0.277SS..  trans-119.590.317117229.2000110.3G273 Q277 S278G273-D275 VanDerWaalsContact C-N 3.25Å; G273-D275 PolarHBondContact O-N 2.81Å; D275-Q277 PolarHBondContact O-N 2.63Å; D275-Q277 VanDerWaalsContact O-N 3.15Å; D275-Q277 WeakPolarHBondContact OD1-CB 3.3Å; D275-Q277 PolarHBondContact OD1-N 2.83Å; D275-S278 PolarHBondContact O-N 2.99Å; D275-S278 PolarHBondContact O-OG 3.23Å; D275-S278 VanDerWaalsContact OD2-CB 3.28Å; D275-S278 WeakPolarHBondContact OD2-CB 3.28Å; D275-S278 PolarHBondContact OD2-OG 3.03Å
276P97.6Very high97.8Very high20 Ų2047.1 Ų47.113%0.1326%0.263CS..G310 helixtrans-61.4-21.4-179.5-24.534.3000114.3S278 S279 L282 P318P276-S278 VanDerWaalsContact C-N 3.33Å; P276-S278 PolarHBondContact O-N 3.41Å; P276-S279 VanDerWaalsContact O-CB 3.24Å; P276-S279 WeakPolarHBondContact O-CB 3.35Å; P276-S279 PolarHBondContact O-N 3.14Å; P276-L282 HydrophobicContact CB-CD2 4.02Å; P276-L282 WeakPolarHBondContact O-CD2 3.48Å; P276-P318 HydrophobicContact CB-CG 4.45Å
277Q98.1Very high97.7Very high53 Ų5346.3 Ų46.325%0.24825%0.254CS..G310 helixtrans-65.2-39.3179.5-169.7170.72.300111.3D275 S279 R284 D310 D313 Y315D275-Q277 PolarHBondContact O-N 2.63Å; D275-Q277 VanDerWaalsContact O-N 3.15Å; D275-Q277 WeakPolarHBondContact OD1-CB 3.3Å; D275-Q277 PolarHBondContact OD1-N 2.83Å; Q277-S279 PolarHBondContact O-N 2.86Å; Q277-R284 PolarHBondContact O-NH2 3.05Å; Q277-D310 PolarHBondContact NE2-OD2 2.86Å; Q277-D313 PolarHBondContact NE2-OD2 3.18Å; Q277-Y315 HydrophobicContact CB-CD1 3.94Å; Q277-Y315 HydrophobicContact CB-CD2 4.14Å; Q277-Y315 HydrophobicContact CB-CE1 3.64Å; Q277-Y315 HydrophobicContact CB-CE2 3.85Å; Q277-Y315 HydrophobicContact CB-CG 4.17Å; Q277-Y315 HydrophobicContact CG-CD1 3.66Å; Q277-Y315 HydrophobicContact CG-CD2 3.99Å; Q277-Y315 HydrophobicContact CG-CE1 3.92Å; Q277-Y315 HydrophobicContact CG-CE2 4.23Å; Q277-Y315 HydrophobicContact CG-CG 3.68Å; Q277-Y315 PolarHBondContact N-OH 3.08Å
278S97.2Very high97.7Very high89 Ų8949.5 Ų49.562%0.62227%0.269SS*.G310 helixtrans-78.1-5.3177.164.90000114D275 P276D275-S278 PolarHBondContact O-N 2.99Å; D275-S278 PolarHBondContact O-OG 3.23Å; D275-S278 VanDerWaalsContact OD2-CB 3.28Å; D275-S278 WeakPolarHBondContact OD2-CB 3.28Å; D275-S278 PolarHBondContact OD2-OG 3.03Å; P276-S278 VanDerWaalsContact C-N 3.33Å; P276-S278 PolarHBondContact O-N 3.41Å
279S97.2Very high97.7Very high11 Ų1156.5 Ų56.58%0.07730%0.299CS..  trans-67.4127.6-178.7-1670000112Y272 P276 Q277 N281 L282Y272-S279 WeakPolarHBondContact O-CB 3.41Å; P276-S279 VanDerWaalsContact O-CB 3.24Å; P276-S279 WeakPolarHBondContact O-CB 3.35Å; P276-S279 PolarHBondContact O-N 3.14Å; Q277-S279 PolarHBondContact O-N 2.86Å; S279-N281 PolarHBondContact O-N 3.2Å; S279-N281 PolarHBondContact OG-N 3.02Å; S279-L282 PolarHBondContact O-N 3.11Å
280P95.3Very high97.7Very high101 Ų10156.5 Ų56.566%0.65630%0.296SS*.THydrogen-bonded Turntrans-72.5-8.1174.231.8-36.5000113S55S55-P280 WeakPolarHBondContact CB-O 3.38Å
281N95.5Very high97.7Very high73 Ų7349.1 Ų49.139%0.3927%0.268SS..THydrogen-bonded Turntrans-101.94.3-176.5-63-43.2000113.1Y272 S279Y272-N281 HydrophobicContact CD1-CB 4.42Å; Y272-N281 HydrophobicContact CE1-CB 4.33Å; Y272-N281 WeakPolarHBondContact CE1-O 3.28Å; S279-N281 PolarHBondContact O-N 3.2Å; S279-N281 PolarHBondContact OG-N 3.02Å
282L97.6Very high97.7Very high3 Ų351.4 Ų51.42%0.01628%0.279CS..  trans-112.5118.4177.2-17565000109.9Y272 P276 S279 R284 Y315 P318Y272-L282 HydrophobicContact CD1-CB 3.91Å; Y272-L282 HydrophobicContact CE1-CB 4.09Å; Y272-L282 HydrophobicContact CE1-CD1 4.17Å; P276-L282 HydrophobicContact CB-CD2 4.02Å; P276-L282 WeakPolarHBondContact O-CD2 3.48Å; S279-L282 PolarHBondContact O-N 3.11Å; L282-R284 PolarHBondContact O-NH1 3.43Å; L282-Y315 HydrophobicContact CD2-CD2 4.24Å; L282-Y315 HydrophobicContact CD2-CE2 3.65Å; L282-P318 HydrophobicContact CD1-CG 4.28Å; L282-P318 HydrophobicContact CD2-CG 4.16Å
283G97.5Very high97.7Very high3 Ų353.7 Ų53.73%0.03129%0.288CS..  trans-65.9-176.817700000113.7L52L52-G283 WeakPolarHBondContact O-CA 3.41Å
284R98.4Very high97.8Very high19 Ų1952.1 Ų52.17%0.07227%0.272CS..  trans-119.7158.3174.8-64.9-56.8-175.9-100.25.6111.9L52 H53 Q242 Q277 L282 I286 D313L52-R284 PolarHBondContact O-N 3.11Å; H53-R284 HydrophobicContact CB-CB 4.18Å; H53-R284 HydrophobicContact CB-CG 3.74Å; H53-R284 VanDerWaalsContact CG-CG 3.48Å; H53-R284 VanDerWaalsContact ND1-CG 3.29Å; H53-R284 WeakPolarHBondContact ND1-CG 3.41Å; Q242-R284 PolarHBondContact NE2-O 3.34Å; Q277-R284 PolarHBondContact O-NH2 3.05Å; L282-R284 PolarHBondContact O-NH1 3.43Å; R284-I286 PolarHBondContact O-N 2.96Å; R284-D313 WeakPolarHBondContact CD-O 3.4Å; R284-D313 WeakPolarHBondContact CG-O 3.38Å; R284-D313 IonicContact CZ-OD1 3.7Å; R284-D313 IonicContact CZ-OD2 3.72Å; R284-D313 IonicContact NE-OD1 3.2Å; R284-D313 PolarHBondContact NE-OD1 3.44Å; R284-D313 VanDerWaalsContact NE-OD1 3.11Å; R284-D313 IonicContact NE-OD2 2.89Å; R284-D313 PolarHBondContact NE-OD2 3.15Å; R284-D313 IonicContact NH2-OD1 2.66Å; R284-D313 IonicContact NH2-OD2 3.7Å; R284-D313 PolarHBondContact NH2-OD2 3.37Å
285I98.8Very high97.8Very high1 Ų150.5 Ų50.51%0.00525%0.254CS..  trans-67.9130.2172.9-53-51.1000108.7A240 N287 Q290 F291 L294 R314 I316 P338A240-I285 HydrophobicContact CB-CD1 4.33Å; I285-N287 PolarHBondContact O-N 3.37Å; I285-Q290 HydrophobicContact CG2-CB 3.55Å; I285-F291 HydrophobicContact CB-CB 4.31Å; I285-F291 HydrophobicContact CG2-CB 4.14Å; I285-L294 HydrophobicContact CD1-CD1 3.48Å; I285-L294 VanDerWaalsContact CD1-CD1 3.48Å; I285-L294 HydrophobicContact CG1-CD1 3.93Å; I285-L294 HydrophobicContact CG2-CD1 4Å; I285-R314 HydrophobicContact CB-CB 4.29Å; I285-R314 WeakPolarHBondContact CB-O 3.25Å; I285-R314 WeakPolarHBondContact CG1-O 3.29Å; I285-R314 PolarHBondContact N-O 2.96Å; I285-R314 WeakPolarHBondContact O-CB 3.31Å; I285-R314 VanDerWaalsContact O-CD 3.31Å; I285-R314 WeakPolarHBondContact O-CD 3.45Å; I285-R314 PolarHBondContact O-NE 3.01Å; I285-I316 HydrophobicContact CG1-CD1 4.1Å; I285-I316 HydrophobicContact CG1-CG1 4.23Å; I285-P338 HydrophobicContact CD1-CG 4.41Å
286I98.4Very high97.9Very high13 Ų1350.1 Ų50.17%0.06726%0.262CS..SBendtrans-54.1-34.8-167.5-174.957.6000114.1D51 L52 W114 I142 R284 Q290D51-I286 HydrophobicContact CB-CD1 4.44Å; D51-I286 VanDerWaalsContact O-CD1 3.29Å; D51-I286 WeakPolarHBondContact O-CD1 3.28Å; L52-I286 HydrophobicContact CD2-CB 4.29Å; L52-I286 HydrophobicContact CD2-CD1 3.78Å; L52-I286 HydrophobicContact CD2-CG1 4.46Å; L52-I286 HydrophobicContact CG-CD1 4.28Å; W114-I286 HydrophobicContact CD2-CB 4.42Å; W114-I286 HydrophobicContact CD2-CG1 4.1Å; W114-I286 HydrophobicContact CD2-CG2 4.16Å; W114-I286 HydrophobicContact CE3-CB 3.67Å; W114-I286 HydrophobicContact CE3-CD1 4.24Å; W114-I286 HydrophobicContact CE3-CG1 3.59Å; W114-I286 HydrophobicContact CE3-CG2 3.75Å; W114-I286 HydrophobicContact CH2-CB 4.14Å; W114-I286 HydrophobicContact CH2-CG2 3.49Å; W114-I286 VanDerWaalsContact CH2-CG2 3.49Å; W114-I286 HydrophobicContact CZ2-CG2 3.93Å; W114-I286 HydrophobicContact CZ3-CB 3.52Å; W114-I286 HydrophobicContact CZ3-CG1 4.02Å; W114-I286 HydrophobicContact CZ3-CG2 3.42Å; W114-I286 VanDerWaalsContact CZ3-CG2 3.42Å; I142-I286 HydrophobicContact CG2-CD1 4.09Å; I142-I286 HydrophobicContact CG2-CG1 3.31Å; I142-I286 HydrophobicContact CG2-CG2 4.42Å; R284-I286 PolarHBondContact O-N 2.96Å; I286-Q290 HydrophobicContact CG2-CB 4.16Å; I286-Q290 HydrophobicContact CG2-CG 3.84Å
287N98.1Very high97.9Very high44 Ų4449.4 Ų49.424%0.23526%0.257CS..SBendtrans-158.5171.818064.546.2000112.9I285 K289 Q290 F291I285-N287 PolarHBondContact O-N 3.37Å; N287-K289 VanDerWaalsContact C-N 3.32Å; N287-K289 PolarHBondContact O-N 3.43Å; N287-K289 WeakPolarHBondContact OD1-CB 3.44Å; N287-K289 PolarHBondContact OD1-N 3.2Å; N287-K289 VanDerWaalsContact OD1-N 3.15Å; N287-Q290 PolarHBondContact O-N 2.99Å; N287-Q290 PolarHBondContact OD1-N 3.25Å; N287-F291 PolarHBondContact O-N 3.4Å
288Q98.3Very high97.9Very high67 Ų6748 Ų4831%0.31325%0.252SS..Hα-helixtrans-58.7-40.1-177.2-164.154.839.400113.6F291 Q292 E311Q288-F291 PolarHBondContact O-N 2.6Å; Q288-Q292 WeakPolarHBondContact O-CG 3.37Å; Q288-Q292 PolarHBondContact O-N 3.32Å; Q288-E311 VanDerWaalsContact NE2-CD 3.33Å; Q288-E311 PolarHBondContact NE2-OE1 2.58Å
289K98.1Very high97.9Very high153 Ų15347.1 Ų47.167%0.66526%0.256SS*.Hα-helixtrans-63.7-45-179.3178.5-177.9176.71790111.4N287 R293N287-K289 VanDerWaalsContact C-N 3.32Å; N287-K289 PolarHBondContact O-N 3.43Å; N287-K289 WeakPolarHBondContact OD1-CB 3.44Å; N287-K289 PolarHBondContact OD1-N 3.2Å; N287-K289 VanDerWaalsContact OD1-N 3.15Å; K289-R293 PolarHBondContact O-N 2.7Å; K289-R293 VanDerWaalsContact O-N 3.14Å
290Q98.5Very high97.8Very high42 Ų4247 Ų4720%0.19626%0.255CS..Hα-helixtrans-69.6-37.6177.7-66.3-57.8-2000111.5I285 I286 N287 R293 L294I285-Q290 HydrophobicContact CG2-CB 3.55Å; I286-Q290 HydrophobicContact CG2-CB 4.16Å; I286-Q290 HydrophobicContact CG2-CG 3.84Å; N287-Q290 PolarHBondContact O-N 2.99Å; N287-Q290 PolarHBondContact OD1-N 3.25Å; Q290-R293 PolarHBondContact O-N 3.46Å; Q290-L294 WeakPolarHBondContact O-CB 3.21Å; Q290-L294 WeakPolarHBondContact O-CG 3.38Å; Q290-L294 PolarHBondContact O-N 3.11Å
291F98.8Very high97.9Very high0 Ų043.8 Ų43.80%024%0.241CC..Hα-helixtrans-58.4-50.7174.8173.4-91.7000111.5I285 N287 Q288 R293 L294 R295 D310 E311 R314 Y315 I316I285-F291 HydrophobicContact CB-CB 4.31Å; I285-F291 HydrophobicContact CG2-CB 4.14Å; N287-F291 PolarHBondContact O-N 3.4Å; Q288-F291 PolarHBondContact O-N 2.6Å; F291-R293 VanDerWaalsContact C-N 3.35Å; F291-R293 PolarHBondContact O-N 3.24Å; F291-L294 PolarHBondContact O-N 3.48Å; F291-R295 HydrophobicContact CE1-CB 4.46Å; F291-R295 VanDerWaalsContact O-CB 3.31Å; F291-R295 WeakPolarHBondContact O-CB 3.46Å; F291-R295 PolarHBondContact O-N 3.25Å; F291-D310 WeakPolarHBondContact CE2-O 3.38Å; F291-E311 HydrophobicContact CD1-CB 4.43Å; F291-E311 HydrophobicContact CD1-CG 4.08Å; F291-E311 HydrophobicContact CE1-CB 3.59Å; F291-E311 HydrophobicContact CE1-CG 3.66Å; F291-E311 VanDerWaalsContact CZ-CA 3.42Å; F291-E311 HydrophobicContact CZ-CB 3.88Å; F291-E311 HydrophobicContact CZ-CG 4.41Å; F291-R314 HydrophobicContact CD2-CB 4.31Å; F291-Y315 WeakPolarHBondContact CE2-O 3.28Å; F291-I316 HydrophobicContact CD2-CD1 4.06Å; F291-I316 HydrophobicContact CD2-CG1 3.88Å; F291-I316 HydrophobicContact CE2-CD1 4.26Å; F291-I316 HydrophobicContact CE2-CG1 3.73Å
292Q98.7Very high98Very high104 Ų10445.6 Ų45.649%0.48625%0.246SC..Hα-helixtrans-62.3-40.9179.7-72.6174.3-12.200112.2Q288 A296 E311Q288-Q292 WeakPolarHBondContact O-CG 3.37Å; Q288-Q292 PolarHBondContact O-N 3.32Å; Q292-A296 PolarHBondContact O-N 2.87Å; Q292-A296 VanDerWaalsContact O-N 3.1Å; Q292-E311 PolarHBondContact NE2-OE1 2.84Å
293R98.5Very high98.1Very high64 Ų6447.7 Ų47.724%0.24226%0.26CS..Hα-helixtrans-58.7-52.4174.7-175.3-174.365.982.92.8111K289 Q290 F291 A296 L297 E333 E334 I335K289-R293 PolarHBondContact O-N 2.7Å; K289-R293 VanDerWaalsContact O-N 3.14Å; Q290-R293 PolarHBondContact O-N 3.46Å; F291-R293 VanDerWaalsContact C-N 3.35Å; F291-R293 PolarHBondContact O-N 3.24Å; R293-A296 WeakPolarHBondContact O-CB 3.15Å; R293-A296 PolarHBondContact O-N 3.4Å; R293-L297 PolarHBondContact O-N 3Å; R293-E333 WeakPolarHBondContact CD-OE1 3.44Å; R293-E333 WeakPolarHBondContact CG-OE1 3.34Å; R293-E333 IonicContact CZ-OE1 2.62Å; R293-E333 IonicContact NE-OE1 3.12Å; R293-E333 IonicContact NH1-OE1 3.07Å; R293-E333 PolarHBondContact NH1-OE1 3.46Å; R293-E334 PolarHBondContact NH1-O 2.99Å; R293-I335 PolarHBondContact NH1-O 3.09Å; R293-I335 PolarHBondContact NH2-O 3.04Å
294L98.8Very high98.1Very high0 Ų049.4 Ų49.40%027%0.273CS..Hα-helixtrans-64.3-41.9-179.2-73.2170.6000112.4I285 Q290 F291 A296 L297 L298 I316 I335 I339I285-L294 HydrophobicContact CD1-CD1 3.48Å; I285-L294 VanDerWaalsContact CD1-CD1 3.48Å; I285-L294 HydrophobicContact CG1-CD1 3.93Å; I285-L294 HydrophobicContact CG2-CD1 4Å; Q290-L294 WeakPolarHBondContact O-CB 3.21Å; Q290-L294 WeakPolarHBondContact O-CG 3.38Å; Q290-L294 PolarHBondContact O-N 3.11Å; F291-L294 PolarHBondContact O-N 3.48Å; L294-A296 PolarHBondContact O-N 3.07Å; L294-L297 HydrophobicContact CD2-CD1 4.25Å; L294-L297 WeakPolarHBondContact O-CB 3.41Å; L294-L297 PolarHBondContact O-N 3.34Å; L294-L298 PolarHBondContact O-N 3.02Å; L294-I316 HydrophobicContact CB-CD1 3.39Å; L294-I316 HydrophobicContact CD1-CD1 4.17Å; L294-I316 HydrophobicContact CG-CD1 4.44Å; L294-I335 HydrophobicContact CD2-CG2 3.86Å; L294-I335 WeakPolarHBondContact CD2-O 3.46Å; L294-I339 HydrophobicContact CB-CD1 4.37Å; L294-I339 HydrophobicContact CD2-CD1 4.27Å; L294-I339 WeakPolarHBondContact O-CD1 3.39Å
295R98.4Very high98.2Very high119 Ų11948.9 Ų48.945%0.44927%0.272SS..Hα-helixtrans-59.1-36.7176.5-178178.6170.5-170.9-0111.8F291 L297 L298 E311F291-R295 HydrophobicContact CE1-CB 4.46Å; F291-R295 VanDerWaalsContact O-CB 3.31Å; F291-R295 WeakPolarHBondContact O-CB 3.46Å; F291-R295 PolarHBondContact O-N 3.25Å; R295-L297 VanDerWaalsContact C-N 3.28Å; R295-L297 PolarHBondContact O-N 3.11Å; R295-L298 WeakPolarHBondContact O-CB 3.4Å; R295-L298 PolarHBondContact O-N 2.89Å; R295-E311 IonicContact NH1-OE2 3.49Å; R295-E311 PolarHBondContact NH1-OE2 3.39Å
296A98.2Very high98.1Very high74 Ų7450.1 Ų50.161%0.61228%0.284SS*.Hα-helixtrans-64.9-31.317500000112.6Q292 R293 L294 L298 G299Q292-A296 PolarHBondContact O-N 2.87Å; Q292-A296 VanDerWaalsContact O-N 3.1Å; R293-A296 WeakPolarHBondContact O-CB 3.15Å; R293-A296 PolarHBondContact O-N 3.4Å; L294-A296 PolarHBondContact O-N 3.07Å; A296-L298 VanDerWaalsContact C-N 3.25Å; A296-L298 PolarHBondContact O-N 3.12Å; A296-G299 PolarHBondContact O-N 3.46Å
297L98.5Very high98.1Very high5 Ų550.6 Ų50.63%0.02629%0.293CS..Hα-helixtrans-69.5-21.3177.5-55.3-177000113.1R293 L294 R295 G299 C300 P329 V330 I335 I339R293-L297 PolarHBondContact O-N 3Å; L294-L297 HydrophobicContact CD2-CD1 4.25Å; L294-L297 WeakPolarHBondContact O-CB 3.41Å; L294-L297 PolarHBondContact O-N 3.34Å; R295-L297 VanDerWaalsContact C-N 3.28Å; R295-L297 PolarHBondContact O-N 3.11Å; L297-G299 PolarHBondContact O-N 3.21Å; L297-C300 WeakPolarHBondContact O-CB 3.18Å; L297-C300 PolarHBondContact O-N 3.46Å; L297-C300 VanDerWaalsContact O-N 3.11Å; L297-C300 PolarHBondContact O-SG 3.37Å; L297-P329 HydrophobicContact CD2-CB 3.76Å; L297-V330 HydrophobicContact CB-CB 4.28Å; L297-V330 HydrophobicContact CB-CG2 4.17Å; L297-V330 HydrophobicContact CD1-CG2 4.39Å; L297-V330 HydrophobicContact CD2-CB 4.5Å; L297-I335 HydrophobicContact CD1-CG2 4.22Å; L297-I339 HydrophobicContact CB-CD1 4.03Å
298L97.8Very high98.1Very high24 Ų2454 Ų5413%0.12631%0.307CS..THydrogen-bonded Turntrans-65.5-16176.8-61.1175000113.2L294 R295 A296 C300 I316 T319 I339L294-L298 PolarHBondContact O-N 3.02Å; R295-L298 WeakPolarHBondContact O-CB 3.4Å; R295-L298 PolarHBondContact O-N 2.89Å; A296-L298 VanDerWaalsContact C-N 3.25Å; A296-L298 PolarHBondContact O-N 3.12Å; L298-C300 VanDerWaalsContact C-N 3.28Å; L298-I316 HydrophobicContact CD1-CG2 4.33Å; L298-I316 HydrophobicContact CD2-CG2 4.46Å; L298-T319 HydrophobicContact CD2-CG2 3.81Å; L298-I339 HydrophobicContact CD2-CD1 3.63Å; L298-I339 HydrophobicContact CD2-CG1 3.81Å; L298-I339 HydrophobicContact CG-CD1 4.12Å
299G95.7Very high98.1Very high70 Ų7053 Ų5372%0.72231%0.308SS*.THydrogen-bonded Turntrans-820.4173.900000114.7A296 L297A296-G299 PolarHBondContact O-N 3.46Å; L297-G299 PolarHBondContact O-N 3.21Å
300C96.9Very high98.1Very high8 Ų848 Ų485%0.05429%0.289CS..SBendtrans-89.4144.5177.2-57.10000110.9L297 L298 E328 V330L297-C300 WeakPolarHBondContact O-CB 3.18Å; L297-C300 PolarHBondContact O-N 3.46Å; L297-C300 VanDerWaalsContact O-N 3.11Å; L297-C300 PolarHBondContact O-SG 3.37Å; L298-C300 VanDerWaalsContact C-N 3.28Å; C300-E328 WeakPolarHBondContact CA-OE1 3.48Å; C300-E328 HydrophobicContact CB-CB 4.08Å; C300-E328 HydrophobicContact CB-CG 4.33Å; C300-V330 HydrophobicContact CB-CB 3.99Å; C300-V330 HydrophobicContact CB-CG1 3.56Å
301G96.6Very high98.1Very high34 Ų3449.8 Ų49.835%0.35130%0.297SS..SBendtrans52.8-139179.800000113.2E328G301-E328 PolarHBondContact N-OE1 2.91Å; G301-E328 PolarHBondContact N-OE2 3.38Å
302H98.1Very high98.1Very high110 Ų11054.6 Ų54.651%0.50933%0.33SS..EExtended strand (participates in β ladder)trans-125.4131.9177.717965.1000111.4A304 L321 V322H302-A304 PolarHBondContact O-N 3.23Å; H302-L321 CarbonylContact O-C 3.58Å; H302-L321 VanDerWaalsContact O-CA 3.3Å; H302-L321 WeakPolarHBondContact O-CA 3.41Å; H302-V322 HydrophobicContact CB-CG2 4.06Å; H302-V322 PolarHBondContact N-O 3.26Å; H302-V322 PolarHBondContact O-N 2.87Å
303V98.6Very high98Very high48 Ų4851.5 Ų51.529%0.29132%0.317SS..EExtended strand (participates in β ladder)trans-76.8102.7175.41800000109.7G306 T319 L321V303-G306 WeakPolarHBondContact CG1-O 3.48Å; V303-T319 HydrophobicContact CG1-CG2 4.22Å; V303-L321 HydrophobicContact CB-CD2 4.29Å; V303-L321 HydrophobicContact CG2-CD2 3.66Å
304A98.6Very high98Very high38 Ų3851.7 Ų51.731%0.31432%0.318SS..EExtended strand (participates in β ladder)trans-83.8-33.8177.300000112.8L261 H302 V320 V322L261-A304 HydrophobicContact CD1-CB 4.45Å; L261-A304 HydrophobicContact CD2-CB 3.91Å; H302-A304 PolarHBondContact O-N 3.23Å; A304-V320 PolarHBondContact N-O 3.08Å; A304-V322 HydrophobicContact CB-CG1 3.98Å; A304-V322 HydrophobicContact CB-CG2 4.02Å
305I98.8Very high98Very high9 Ų952 Ų525%0.04632%0.319CS..EExtended strand (participates in β ladder)trans-138.2138.2179.1-61.2167.5000108L261 L264 Q265 I268 T319 V320L261-I305 HydrophobicContact CD2-CD1 4.38Å; L261-I305 WeakPolarHBondContact O-CD1 3.2Å; L264-I305 HydrophobicContact CB-CD1 3.92Å; Q265-I305 HydrophobicContact CB-CD1 3.89Å; Q265-I305 HydrophobicContact CB-CG1 4.31Å; Q265-I305 VanDerWaalsContact OE1-CG2 3.32Å; I268-I305 HydrophobicContact CD1-CG2 3.9Å; I305-T319 VanDerWaalsContact O-CA 3.27Å; I305-T319 WeakPolarHBondContact O-CA 3.3Å; I305-T319 WeakPolarHBondContact O-CG2 3Å; I305-V320 HydrophobicContact CB-CB 3.98Å; I305-V320 HydrophobicContact CB-CG2 4.09Å; I305-V320 HydrophobicContact CD1-CB 4.12Å; I305-V320 HydrophobicContact CD1-CG2 3.87Å; I305-V320 HydrophobicContact CG1-CB 4.31Å; I305-V320 HydrophobicContact CG1-CG2 4.44Å; I305-V320 PolarHBondContact N-O 2.96Å; I305-V320 PolarHBondContact O-N 3.29Å
306G98.4Very high98Very high26 Ų2646.5 Ų46.527%0.26830%0.298SS..  trans77.1-131.1173.200000113.7V303 Q308V303-G306 WeakPolarHBondContact CG1-O 3.48Å; G306-Q308 VanDerWaalsContact CA-OE1 3.27Å; G306-Q308 PolarHBondContact O-NE2 2.87Å; G306-Q308 PolarHBondContact O-OE1 2.98Å
307G97.9Very high98Very high24 Ų2443 Ų4325%0.24727%0.27CS..  trans88.2-7.2-178.600000115.8T319G307-T319 PolarHBondContact N-OG1 3.25Å
308Q98.5Very high98Very high114 Ų11442.9 Ų42.953%0.53327%0.269SS..  trans-69.6143.6173.6-57.4789.400110.3G306 Y315 A317G306-Q308 VanDerWaalsContact CA-OE1 3.27Å; G306-Q308 PolarHBondContact O-NE2 2.87Å; G306-Q308 PolarHBondContact O-OE1 2.98Å; Q308-Y315 HydrophobicContact CB-CE1 4.5Å; Q308-A317 HydrophobicContact CB-CB 4.2Å; Q308-A317 WeakPolarHBondContact O-CB 3.41Å; Q308-A317 PolarHBondContact O-N 2.91Å
309S98.3Very high98.1Very high46 Ų4641.8 Ų41.832%0.32226%0.263SS..EExtended strand (participates in β ladder)trans-147.6150.3173.257.20000111.2Y315S309-Y315 CarbonylContact C-O 3.51Å; S309-Y315 WeakPolarHBondContact CA-O 3.39Å; S309-Y315 WeakPolarHBondContact CB-O 3.28Å
310D98.5Very high98.2Very high50 Ų5038.4 Ų38.427%0.26723%0.229SC..EExtended strand (participates in β ladder)trans-133.2116.1176.1-179.7-7.4000108.9Q277 F291 S312 R314 Y315Q277-D310 PolarHBondContact NE2-OD2 2.86Å; F291-D310 WeakPolarHBondContact CE2-O 3.38Å; D310-S312 VanDerWaalsContact C-N 3.34Å; D310-S312 WeakPolarHBondContact OD1-CB 3.38Å; D310-S312 PolarHBondContact OD1-N 3.32Å; D310-S312 PolarHBondContact OD1-OG 3.48Å; D310-S312 PolarHBondContact OD2-OG 3.12Å; D310-R314 WeakPolarHBondContact O-CA 3.37Å; D310-R314 PolarHBondContact O-N 3.08Å; D310-Y315 HydrophobicContact CB-CD1 4.22Å; D310-Y315 PolarHBondContact N-O 2.95Å; D310-Y315 PolarHBondContact O-N 3.29Å
311E97.8Very high98.3Very high79 Ų7938 Ų3837%0.36923%0.227SC..THydrogen-bonded Turntrans-68.9-32.8-177.4-172.3159.6-167.300112.8Q288 F291 Q292 R295 D313 R314Q288-E311 VanDerWaalsContact NE2-CD 3.33Å; Q288-E311 PolarHBondContact NE2-OE1 2.58Å; F291-E311 HydrophobicContact CD1-CB 4.43Å; F291-E311 HydrophobicContact CD1-CG 4.08Å; F291-E311 HydrophobicContact CE1-CB 3.59Å; F291-E311 HydrophobicContact CE1-CG 3.66Å; F291-E311 VanDerWaalsContact CZ-CA 3.42Å; F291-E311 HydrophobicContact CZ-CB 3.88Å; F291-E311 HydrophobicContact CZ-CG 4.41Å; Q292-E311 PolarHBondContact NE2-OE1 2.84Å; R295-E311 IonicContact NH1-OE2 3.49Å; R295-E311 PolarHBondContact NH1-OE2 3.39Å; E311-D313 VanDerWaalsContact C-N 3.3Å; E311-D313 PolarHBondContact O-N 3.19Å; E311-R314 PolarHBondContact O-N 3.13Å
312S97.6Very high98.4Very high101 Ų10136.8 Ų36.871%0.70621%0.212SC*.THydrogen-bonded Turntrans-69-32.6-177.270.60000112.4D310D310-S312 VanDerWaalsContact C-N 3.34Å; D310-S312 WeakPolarHBondContact OD1-CB 3.38Å; D310-S312 PolarHBondContact OD1-N 3.32Å; D310-S312 PolarHBondContact OD1-OG 3.48Å; D310-S312 PolarHBondContact OD2-OG 3.12Å
313D96.7Very high98.4Very high38 Ų3836.4 Ų36.420%0.20321%0.214CC..THydrogen-bonded Turntrans-100.8-1.5178.8-169.223.2000112.5H53 Q277 R284 E311 Y315H53-D313 IonicContact CE1-OD1 2.68Å; Q277-D313 PolarHBondContact NE2-OD2 3.18Å; R284-D313 WeakPolarHBondContact CD-O 3.4Å; R284-D313 WeakPolarHBondContact CG-O 3.38Å; R284-D313 IonicContact CZ-OD1 3.7Å; R284-D313 IonicContact CZ-OD2 3.72Å; R284-D313 IonicContact NE-OD1 3.2Å; R284-D313 PolarHBondContact NE-OD1 3.44Å; R284-D313 VanDerWaalsContact NE-OD1 3.11Å; R284-D313 IonicContact NE-OD2 2.89Å; R284-D313 PolarHBondContact NE-OD2 3.15Å; R284-D313 IonicContact NH2-OD1 2.66Å; R284-D313 IonicContact NH2-OD2 3.7Å; R284-D313 PolarHBondContact NH2-OD2 3.37Å; E311-D313 VanDerWaalsContact C-N 3.3Å; E311-D313 PolarHBondContact O-N 3.19Å; D313-Y315 PolarHBondContact O-N 2.92Å
314R98.4Very high98.3Very high68 Ų6834.7 Ų34.726%0.25720%0.204SC..THydrogen-bonded Turntrans49.539.2-171.2-57.9-178.5-62.1-71.80112I285 F291 D310 E311I285-R314 HydrophobicContact CB-CB 4.29Å; I285-R314 WeakPolarHBondContact CB-O 3.25Å; I285-R314 WeakPolarHBondContact CG1-O 3.29Å; I285-R314 PolarHBondContact N-O 2.96Å; I285-R314 WeakPolarHBondContact O-CB 3.31Å; I285-R314 VanDerWaalsContact O-CD 3.31Å; I285-R314 WeakPolarHBondContact O-CD 3.45Å; I285-R314 PolarHBondContact O-NE 3.01Å; F291-R314 HydrophobicContact CD2-CB 4.31Å; D310-R314 WeakPolarHBondContact O-CA 3.37Å; D310-R314 PolarHBondContact O-N 3.08Å; E311-R314 PolarHBondContact O-N 3.13Å
315Y98.8Very high98.1Very high6 Ų638.5 Ų38.52%0.02422%0.215CC..EExtended strand (participates in β ladder)trans-96.1132.3-176.8162.7-105.4000110.7Q277 L282 F291 Q308 S309 D310 D313 A317Q277-Y315 HydrophobicContact CB-CD1 3.94Å; Q277-Y315 HydrophobicContact CB-CD2 4.14Å; Q277-Y315 HydrophobicContact CB-CE1 3.64Å; Q277-Y315 HydrophobicContact CB-CE2 3.85Å; Q277-Y315 HydrophobicContact CB-CG 4.17Å; Q277-Y315 HydrophobicContact CG-CD1 3.66Å; Q277-Y315 HydrophobicContact CG-CD2 3.99Å; Q277-Y315 HydrophobicContact CG-CE1 3.92Å; Q277-Y315 HydrophobicContact CG-CE2 4.23Å; Q277-Y315 HydrophobicContact CG-CG 3.68Å; Q277-Y315 PolarHBondContact N-OH 3.08Å; L282-Y315 HydrophobicContact CD2-CD2 4.24Å; L282-Y315 HydrophobicContact CD2-CE2 3.65Å; F291-Y315 WeakPolarHBondContact CE2-O 3.28Å; Q308-Y315 HydrophobicContact CB-CE1 4.5Å; S309-Y315 CarbonylContact C-O 3.51Å; S309-Y315 WeakPolarHBondContact CA-O 3.39Å; S309-Y315 WeakPolarHBondContact CB-O 3.28Å; D310-Y315 HydrophobicContact CB-CD1 4.22Å; D310-Y315 PolarHBondContact N-O 2.95Å; D310-Y315 PolarHBondContact O-N 3.29Å; D313-Y315 PolarHBondContact O-N 2.92Å; Y315-A317 HydrophobicContact CE1-CB 4.31Å; Y315-A317 WeakPolarHBondContact OH-CA 3.36Å; Y315-A317 VanDerWaalsContact OH-CB 3.25Å; Y315-A317 WeakPolarHBondContact OH-CB 3.45Å
316I98.8Very high97.9Very high4 Ų441.5 Ų41.52%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-129.6126.3167.2-59.3179000106.5I285 F291 L294 L298 P338I285-I316 HydrophobicContact CG1-CD1 4.1Å; I285-I316 HydrophobicContact CG1-CG1 4.23Å; F291-I316 HydrophobicContact CD2-CD1 4.06Å; F291-I316 HydrophobicContact CD2-CG1 3.88Å; F291-I316 HydrophobicContact CE2-CD1 4.26Å; F291-I316 HydrophobicContact CE2-CG1 3.73Å; L294-I316 HydrophobicContact CB-CD1 3.39Å; L294-I316 HydrophobicContact CD1-CD1 4.17Å; L294-I316 HydrophobicContact CG-CD1 4.44Å; L298-I316 HydrophobicContact CD1-CG2 4.33Å; L298-I316 HydrophobicContact CD2-CG2 4.46Å; I316-P338 HydrophobicContact CB-CG 3.77Å; I316-P338 HydrophobicContact CG2-CG 3.85Å; I316-P338 WeakPolarHBondContact O-CG 3.34Å
317A98.7Very high97.8Very high2 Ų245.8 Ų45.82%0.01725%0.249CC..  trans-61.2148.4179.100000111.2Q308 Y315 T319Q308-A317 HydrophobicContact CB-CB 4.2Å; Q308-A317 WeakPolarHBondContact O-CB 3.41Å; Q308-A317 PolarHBondContact O-N 2.91Å; Y315-A317 HydrophobicContact CE1-CB 4.31Å; Y315-A317 WeakPolarHBondContact OH-CA 3.36Å; Y315-A317 VanDerWaalsContact OH-CB 3.25Å; Y315-A317 WeakPolarHBondContact OH-CB 3.45Å; A317-T319 PolarHBondContact O-N 3.47Å; A317-T319 PolarHBondContact O-OG1 3.16Å
318P98.8Very high97.8Very high2 Ų246.7 Ų46.71%0.01325%0.247CC..  trans-50.1111164.3-27.137000110.1Y237 I268 Y272 P276 L282Y237-P318 HydrophobicContact CD1-CB 3.65Å; Y237-P318 HydrophobicContact CD1-CG 4.27Å; Y237-P318 HydrophobicContact CD2-CB 3.95Å; Y237-P318 VanDerWaalsContact CE1-CA 3.5Å; Y237-P318 HydrophobicContact CE1-CB 3.6Å; Y237-P318 HydrophobicContact CE2-CB 3.91Å; Y237-P318 HydrophobicContact CG-CB 3.83Å; Y237-P318 HydrophobicContact CG-CG 4.26Å; I268-P318 HydrophobicContact CD1-CB 4.22Å; I268-P318 HydrophobicContact CG1-CB 4.28Å; I268-P318 HydrophobicContact CG2-CB 3.8Å; I268-P318 HydrophobicContact CG2-CG 4.17Å; Y272-P318 HydrophobicContact CD2-CG 3.95Å; Y272-P318 HydrophobicContact CE2-CG 4.18Å; P276-P318 HydrophobicContact CB-CG 4.45Å; L282-P318 HydrophobicContact CD1-CG 4.28Å; L282-P318 HydrophobicContact CD2-CG 4.16Å
319T98.9Very high97.7Very high0 Ų044.8 Ų44.80%025%0.245CC..EExtended strand (participates in β ladder)trans-119135.9-168.4-62.70000110.5Y237 L298 V303 I305 G307 A317 L321 P338 I339 L340Y237-T319 PolarHBondContact OH-O 3.02Å; L298-T319 HydrophobicContact CD2-CG2 3.81Å; V303-T319 HydrophobicContact CG1-CG2 4.22Å; I305-T319 VanDerWaalsContact O-CA 3.27Å; I305-T319 WeakPolarHBondContact O-CA 3.3Å; I305-T319 WeakPolarHBondContact O-CG2 3Å; G307-T319 PolarHBondContact N-OG1 3.25Å; A317-T319 PolarHBondContact O-N 3.47Å; A317-T319 PolarHBondContact O-OG1 3.16Å; T319-L321 HydrophobicContact CG2-CD2 3.85Å; T319-L321 HydrophobicContact CG2-CG 4.36Å; T319-P338 PolarHBondContact N-O 3.21Å; T319-I339 HydrophobicContact CG2-CG2 4.46Å; T319-I339 CarbonylContact O-C 3.46Å; T319-I339 WeakPolarHBondContact O-CA 3.27Å; T319-L340 PolarHBondContact O-N 2.82Å
320V98.9Very high97.7Very high0 Ų042.6 Ų42.60%023%0.229CC..EExtended strand (participates in β ladder)trans-116.2125.8170.8-176.90000108.8Y237 L261 L264 I268 A304 I305 L340 I342Y237-V320 WeakPolarHBondContact OH-CG2 3.44Å; L261-V320 HydrophobicContact CD2-CG1 3.83Å; L264-V320 HydrophobicContact CD1-CG1 4.41Å; L264-V320 HydrophobicContact CD1-CG2 4.17Å; I268-V320 HydrophobicContact CD1-CG2 4.4Å; A304-V320 PolarHBondContact N-O 3.08Å; I305-V320 HydrophobicContact CB-CB 3.98Å; I305-V320 HydrophobicContact CB-CG2 4.09Å; I305-V320 HydrophobicContact CD1-CB 4.12Å; I305-V320 HydrophobicContact CD1-CG2 3.87Å; I305-V320 HydrophobicContact CG1-CB 4.31Å; I305-V320 HydrophobicContact CG1-CG2 4.44Å; I305-V320 PolarHBondContact N-O 2.96Å; I305-V320 PolarHBondContact O-N 3.29Å; V320-L340 WeakPolarHBondContact CA-O 3.35Å; V320-L340 HydrophobicContact CG2-CB 4.46Å; V320-I342 HydrophobicContact CG1-CD1 3.67Å; V320-I342 HydrophobicContact CG1-CG1 3.9Å
321L98.9Very high97.7Very high0 Ų040.3 Ų40.30%022%0.217CC..EExtended strand (participates in β ladder)trans-104.2138.6175.4-55.8180000109.7H302 V303 T319 V324 V330 I339 L340 P341 I342H302-L321 CarbonylContact O-C 3.58Å; H302-L321 VanDerWaalsContact O-CA 3.3Å; H302-L321 WeakPolarHBondContact O-CA 3.41Å; V303-L321 HydrophobicContact CB-CD2 4.29Å; V303-L321 HydrophobicContact CG2-CD2 3.66Å; T319-L321 HydrophobicContact CG2-CD2 3.85Å; T319-L321 HydrophobicContact CG2-CG 4.36Å; L321-V324 HydrophobicContact CB-CG1 3.67Å; L321-V324 HydrophobicContact CD1-CG1 4.37Å; L321-V330 HydrophobicContact CD1-CG1 4.38Å; L321-V330 HydrophobicContact CD1-CG2 4.06Å; L321-I339 HydrophobicContact CD1-CG2 3.51Å; L321-I339 HydrophobicContact CG-CG2 3.77Å; L321-L340 PolarHBondContact N-O 3.11Å; L321-P341 CarbonylContact O-C 3.43Å; L321-P341 WeakPolarHBondContact O-CA 3.41Å; L321-I342 PolarHBondContact O-N 2.52Å
322V98.7Very high97.7Very high8 Ų842.4 Ų42.45%0.04823%0.227CC..EExtended strand (participates in β ladder)trans-122.2171.7170.6-61.30000109.5Q257 L261 H302 A304 V324 I342Q257-V322 HydrophobicContact CG-CG1 4.41Å; L261-V322 HydrophobicContact CD1-CG1 4.16Å; L261-V322 HydrophobicContact CD2-CG1 3.96Å; H302-V322 HydrophobicContact CB-CG2 4.06Å; H302-V322 PolarHBondContact N-O 3.26Å; H302-V322 PolarHBondContact O-N 2.87Å; A304-V322 HydrophobicContact CB-CG1 3.98Å; A304-V322 HydrophobicContact CB-CG2 4.02Å; V322-V324 PolarHBondContact O-N 3.44Å; V322-I342 HydrophobicContact CG1-CB 4.47Å
323D96.9Very high97.5Very high101 Ų10141.2 Ų41.254%0.5421%0.21SC..SBendtrans55.526.1179.8-54.2-39.6000113.9
324V96.8Very high97.6Very high13 Ų1341.6 Ų41.68%0.07921%0.211CC..  trans-72.6137.3178.8-60.30000110.3L321 V322 E328 V330 M331 P341 V343L321-V324 HydrophobicContact CB-CG1 3.67Å; L321-V324 HydrophobicContact CD1-CG1 4.37Å; V322-V324 PolarHBondContact O-N 3.44Å; V324-E328 VanDerWaalsContact CA-OE2 3.29Å; V324-E328 WeakPolarHBondContact CA-OE2 3.35Å; V324-V330 HydrophobicContact CB-CG1 4.42Å; V324-V330 HydrophobicContact CG1-CG1 4.19Å; V324-M331 HydrophobicContact CB-CG 4.49Å; V324-M331 HydrophobicContact CG2-CG 4.11Å; V324-M331 HydrophobicContact CG2-SD 4.39Å; V324-P341 HydrophobicContact CG1-CB 4.14Å; V324-P341 HydrophobicContact CG2-CB 3.92Å; V324-V343 HydrophobicContact CG2-CG2 3.57Å
325Q95.2Very high97.6Very high117 Ų11738.4 Ų38.455%0.54720%0.199SC..  trans-88.1143.1173.6-57.4-59.7-48.700109.9T327 E328Q325-T327 PolarHBondContact O-N 2.78Å; Q325-T327 VanDerWaalsContact O-N 3.11Å; Q325-E328 HydrophobicContact CB-CG 4.03Å; Q325-E328 PolarHBondContact N-OE2 3.37Å; Q325-E328 WeakPolarHBondContact O-CB 3.41Å; Q325-E328 PolarHBondContact O-N 2.82Å
326E94Very high97.6Very high73 Ų7339.5 Ų39.534%0.34120%0.204SC..THydrogen-bonded Turntrans-55.3-33177.5165.4161.2-152.300112.5E328 M331 Q332 R357 R358E326-E328 VanDerWaalsContact C-N 3.34Å; E326-M331 WeakPolarHBondContact O-CB 3.49Å; E326-Q332 PolarHBondContact O-NE2 3Å; E326-R357 IonicContact OE1-CZ 3.73Å; E326-R357 IonicContact OE1-NE 3.52Å; E326-R357 PolarHBondContact OE1-NE 3.42Å; E326-R357 IonicContact OE1-NH2 3.94Å; E326-R357 PolarHBondContact OE1-NH2 2.87Å; E326-R357 IonicContact OE2-CZ 3.21Å; E326-R357 IonicContact OE2-NE 3.5Å; E326-R357 IonicContact OE2-NH2 2.76Å; E326-R357 PolarHBondContact OE2-NH2 2.88Å; E326-R358 IonicContact OE1-CZ 2.84Å; E326-R358 IonicContact OE1-NH1 2.81Å; E326-R358 PolarHBondContact OE1-NH1 3.46Å; E326-R358 IonicContact OE1-NH2 3.51Å; E326-R358 PolarHBondContact OE1-NH2 2.91Å
327T95.9Very high97.6Very high115 Ų11539.3 Ų39.371%0.70620%0.203SC*.THydrogen-bonded Turntrans-79.7-10.3179.9540000114.4Q325Q325-T327 PolarHBondContact O-N 2.78Å; Q325-T327 VanDerWaalsContact O-N 3.11Å
328E97.8Very high97.6Very high43 Ų4339.2 Ų39.220%0.20120%0.202CC..SBendtrans-69.7148.3179.8-79176.813300111.7C300 G301 V324 Q325 E326 V330 M331 Q332C300-E328 WeakPolarHBondContact CA-OE1 3.48Å; C300-E328 HydrophobicContact CB-CB 4.08Å; C300-E328 HydrophobicContact CB-CG 4.33Å; G301-E328 PolarHBondContact N-OE1 2.91Å; G301-E328 PolarHBondContact N-OE2 3.38Å; V324-E328 VanDerWaalsContact CA-OE2 3.29Å; V324-E328 WeakPolarHBondContact CA-OE2 3.35Å; Q325-E328 HydrophobicContact CB-CG 4.03Å; Q325-E328 PolarHBondContact N-OE2 3.37Å; Q325-E328 WeakPolarHBondContact O-CB 3.41Å; Q325-E328 PolarHBondContact O-N 2.82Å; E326-E328 VanDerWaalsContact C-N 3.34Å; E328-V330 HydrophobicContact CB-CG1 4.39Å; E328-V330 PolarHBondContact O-N 3.11Å; E328-V330 VanDerWaalsContact O-N 3.08Å; E328-M331 WeakPolarHBondContact O-CA 3.46Å; E328-M331 PolarHBondContact O-N 3.23Å; E328-Q332 WeakPolarHBondContact O-CG 3.43Å; E328-Q332 PolarHBondContact O-N 3.48Å
329P97.8Very high97.6Very high74 Ų7439.1 Ų39.148%0.48120%0.201SC..Hα-helixtrans-49.1-39.9-179.6-30.735.9000114.2L297 M331 Q332 E333L297-P329 HydrophobicContact CD2-CB 3.76Å; P329-M331 PolarHBondContact O-N 2.99Å; P329-M331 VanDerWaalsContact O-N 3.09Å; P329-Q332 PolarHBondContact O-N 3.21Å; P329-E333 PolarHBondContact O-N 2.69Å
330V98.3Very high97.6Very high0 Ų039.1 Ų39.10%020%0.201CC..Hα-helixtrans-60.8-22.1179.376.80000113.3K214 L297 C300 L321 V324 E328 I335 I339 P341K214-V330 PolarHBondContact NZ-O 3.44Å; L297-V330 HydrophobicContact CB-CB 4.28Å; L297-V330 HydrophobicContact CB-CG2 4.17Å; L297-V330 HydrophobicContact CD1-CG2 4.39Å; L297-V330 HydrophobicContact CD2-CB 4.5Å; C300-V330 HydrophobicContact CB-CB 3.99Å; C300-V330 HydrophobicContact CB-CG1 3.56Å; L321-V330 HydrophobicContact CD1-CG1 4.38Å; L321-V330 HydrophobicContact CD1-CG2 4.06Å; V324-V330 HydrophobicContact CB-CG1 4.42Å; V324-V330 HydrophobicContact CG1-CG1 4.19Å; E328-V330 HydrophobicContact CB-CG1 4.39Å; E328-V330 PolarHBondContact O-N 3.11Å; E328-V330 VanDerWaalsContact O-N 3.08Å; V330-I335 HydrophobicContact CG2-CD1 3.67Å; V330-I335 HydrophobicContact CG2-CG1 3.98Å; V330-I339 HydrophobicContact CG2-CG2 4.25Å; V330-P341 HydrophobicContact CG1-CG 4.29Å; V330-P341 HydrophobicContact CG2-CG 3.65Å
331M98.3Very high97.6Very high2 Ų239.1 Ų39.11%0.0120%0.201CC..Hα-helixtrans-102.7-6.1176-70.2-53.8-62.600114.1K214 Y249 V324 E326 E328 P329 P341 V343 F354K214-M331 WeakPolarHBondContact CD-O 3.41Å; K214-M331 WeakPolarHBondContact CE-O 2.97Å; Y249-M331 HydrophobicContact CD1-CE 4.14Å; Y249-M331 HydrophobicContact CD2-CE 3.98Å; Y249-M331 HydrophobicContact CE2-CE 4.39Å; Y249-M331 HydrophobicContact CG-CE 3.83Å; Y249-M331 HydrophobicContact CG-SD 4.39Å; V324-M331 HydrophobicContact CB-CG 4.49Å; V324-M331 HydrophobicContact CG2-CG 4.11Å; V324-M331 HydrophobicContact CG2-SD 4.39Å; E326-M331 WeakPolarHBondContact O-CB 3.49Å; E328-M331 WeakPolarHBondContact O-CA 3.46Å; E328-M331 PolarHBondContact O-N 3.23Å; P329-M331 PolarHBondContact O-N 2.99Å; P329-M331 VanDerWaalsContact O-N 3.09Å; M331-P341 HydrophobicContact SD-CB 3.93Å; M331-P341 HydrophobicContact SD-CG 4.14Å; M331-V343 HydrophobicContact CE-CG2 3.79Å; M331-V343 HydrophobicContact SD-CG2 3.98Å; M331-F354 HydrophobicContact CE-CE1 4.18Å; M331-F354 HydrophobicContact CE-CZ 3.84Å
332Q97.2Very high97.5Very high124 Ų12439.1 Ų39.158%0.57920%0.202SC*.Hα-helixtrans-100.1-29.1-178.2-66.7-61.7-59.800113.8E326 E328 P329E326-Q332 PolarHBondContact O-NE2 3Å; E328-Q332 WeakPolarHBondContact O-CG 3.43Å; E328-Q332 PolarHBondContact O-N 3.48Å; P329-Q332 PolarHBondContact O-N 3.21Å
333E93.9Very high97.5Very high76 Ų7639.6 Ų39.636%0.35520%0.204SC..SBendtrans-116159.7175.460.5175.5-134.800112.3K214 R293 P329 I335K214-E333 WeakPolarHBondContact CD-O 3.21Å; K214-E333 PolarHBondContact NZ-O 3.44Å; R293-E333 WeakPolarHBondContact CD-OE1 3.44Å; R293-E333 WeakPolarHBondContact CG-OE1 3.34Å; R293-E333 IonicContact CZ-OE1 2.62Å; R293-E333 IonicContact NE-OE1 3.12Å; R293-E333 IonicContact NH1-OE1 3.07Å; R293-E333 PolarHBondContact NH1-OE1 3.46Å; P329-E333 PolarHBondContact O-N 2.69Å; E333-I335 PolarHBondContact O-N 3.48Å
334E98Very high97.6Very high46 Ų4637.3 Ų37.322%0.21519%0.192CC..  trans-62125.9168.4-178.3179.2-153.100109G212 G213 R293 F336G212-E334 WeakPolarHBondContact CA-OE1 3.41Å; G213-E334 PolarHBondContact N-OE1 3.15Å; R293-E334 PolarHBondContact NH1-O 2.99Å; E334-F336 HydrophobicContact CG-CB 4.31Å; E334-F336 HydrophobicContact CG-CD2 4.26Å
335I98.6Very high97.7Very high0 Ų037 Ų370%019%0.19CC..  trans-73-50.9-173.2-61.1171.6000109.2R236 D248 R293 L294 L297 V330 E333 G337 I339 P341R236-I335 VanDerWaalsContact NH2-CB 3.25Å; D248-I335 VanDerWaalsContact O-CD1 3.29Å; D248-I335 WeakPolarHBondContact O-CD1 3.3Å; D248-I335 WeakPolarHBondContact OD2-CB 3.44Å; D248-I335 PolarHBondContact OD2-N 3.45Å; R293-I335 PolarHBondContact NH1-O 3.09Å; R293-I335 PolarHBondContact NH2-O 3.04Å; L294-I335 HydrophobicContact CD2-CG2 3.86Å; L294-I335 WeakPolarHBondContact CD2-O 3.46Å; L297-I335 HydrophobicContact CD1-CG2 4.22Å; V330-I335 HydrophobicContact CG2-CD1 3.67Å; V330-I335 HydrophobicContact CG2-CG1 3.98Å; E333-I335 PolarHBondContact O-N 3.48Å; I335-G337 VanDerWaalsContact C-N 3.31Å; I335-G337 PolarHBondContact O-N 2.96Å; I335-I339 HydrophobicContact CG2-CB 3.98Å; I335-P341 VanDerWaalsContact CD1-CD 3.42Å; I335-P341 HydrophobicContact CD1-CG 3.57Å
336F98.6Very high97.8Very high29 Ų2941.3 Ų41.313%0.12720%0.201CC..  trans53.146178.6-143.5-101.5000113.4W114 N115 G241 Q242 T243 C244 E334W114-F336 AromaticContact CH2-CD1 3.64Å; W114-F336 HydrophobicContact CH2-CD1 3.64Å; W114-F336 AromaticContact CH2-CE1 3.35Å; W114-F336 HydrophobicContact CH2-CE1 3.35Å; W114-F336 AromaticContact CZ2-CD1 3.86Å; W114-F336 HydrophobicContact CZ2-CD1 3.86Å; W114-F336 AromaticContact CZ2-CE1 3.5Å; W114-F336 HydrophobicContact CZ2-CE1 3.5Å; W114-F336 VanDerWaalsContact CZ2-CE1 3.5Å; W114-F336 HydrophobicContact CZ3-CE1 4.11Å; N115-F336 HydrophobicContact CB-CE1 3.96Å; N115-F336 HydrophobicContact CB-CZ 4Å; N115-F336 WeakPolarHBondContact ND2-CZ 3.44Å; G241-F336 CarbonylContact O-C 3.56Å; G241-F336 VanDerWaalsContact O-C 3.3Å; G241-F336 WeakPolarHBondContact O-CA 3.33Å; Q242-F336 HydrophobicContact CB-CD1 3.87Å; Q242-F336 HydrophobicContact CB-CE1 3.8Å; Q242-F336 HydrophobicContact CG-CD1 4.29Å; T243-F336 VanDerWaalsContact C-CE2 3.5Å; C244-F336 HydrophobicContact CB-CE2 4.26Å; E334-F336 HydrophobicContact CG-CB 4.31Å; E334-F336 HydrophobicContact CG-CD2 4.26Å
337G98.6Very high97.9Very high0 Ų040.1 Ų40.10%020%0.201CC..SBendtrans-169.8-179.1-176.300000111.9R236 A240 G241 I335 I339R236-G337 PolarHBondContact NE-O 2.98Å; R236-G337 PolarHBondContact NH2-O 2.85Å; A240-G337 CarbonylContact O-C 3.57Å; A240-G337 VanDerWaalsContact O-CA 3.24Å; A240-G337 WeakPolarHBondContact O-CA 3.47Å; G241-G337 PolarHBondContact O-N 3.42Å; I335-G337 VanDerWaalsContact C-N 3.31Å; I335-G337 PolarHBondContact O-N 2.96Å; G337-I339 PolarHBondContact O-N 3.36Å
338P98.6Very high98Very high0 Ų035.2 Ų35.20%017%0.171CC..SBendtrans-86.545.1-167.736-36000112.6Y237 A240 I285 I316 T319Y237-P338 HydrophobicContact CD1-CB 3.88Å; Y237-P338 HydrophobicContact CE1-CB 4.32Å; Y237-P338 WeakPolarHBondContact CE1-O 3.49Å; A240-P338 WeakPolarHBondContact O-CD 3.25Å; A240-P338 VanDerWaalsContact O-N 3.13Å; I285-P338 HydrophobicContact CD1-CG 4.41Å; I316-P338 HydrophobicContact CB-CG 3.77Å; I316-P338 HydrophobicContact CG2-CG 3.85Å; I316-P338 WeakPolarHBondContact O-CG 3.34Å; T319-P338 PolarHBondContact N-O 3.21Å
339I98.9Very high98.1Very high0 Ų037.1 Ų37.10%018%0.182CC..EExtended strand (participates in β ladder)trans-122.8120.6-178.1-55.9169.4000108.6R236 L294 L297 L298 T319 L321 V330 I335 G337 P341R236-I339 VanDerWaalsContact CZ-O 3.23Å; R236-I339 PolarHBondContact NE-O 3.46Å; R236-I339 PolarHBondContact NH2-O 3.39Å; L294-I339 HydrophobicContact CB-CD1 4.37Å; L294-I339 HydrophobicContact CD2-CD1 4.27Å; L294-I339 WeakPolarHBondContact O-CD1 3.39Å; L297-I339 HydrophobicContact CB-CD1 4.03Å; L298-I339 HydrophobicContact CD2-CD1 3.63Å; L298-I339 HydrophobicContact CD2-CG1 3.81Å; L298-I339 HydrophobicContact CG-CD1 4.12Å; T319-I339 HydrophobicContact CG2-CG2 4.46Å; T319-I339 CarbonylContact O-C 3.46Å; T319-I339 WeakPolarHBondContact O-CA 3.27Å; L321-I339 HydrophobicContact CD1-CG2 3.51Å; L321-I339 HydrophobicContact CG-CG2 3.77Å; V330-I339 HydrophobicContact CG2-CG2 4.25Å; I335-I339 HydrophobicContact CG2-CB 3.98Å; G337-I339 PolarHBondContact O-N 3.36Å; I339-P341 WeakPolarHBondContact O-CD 3.39Å
340L98.8Very high98.1Very high0 Ų035.9 Ų35.90%017%0.17CC..EExtended strand (participates in β ladder)trans-116.5100.4-177-173.865.3000110.7V232 R236 V250 L264 T319 V320 L321V232-L340 HydrophobicContact CG1-CD2 3.67Å; R236-L340 HydrophobicContact CG-CB 4.15Å; R236-L340 HydrophobicContact CG-CD1 4.16Å; V250-L340 HydrophobicContact CG2-CD1 4.16Å; V250-L340 HydrophobicContact CG2-CD2 4.23Å; V250-L340 HydrophobicContact CG2-CG 4.37Å; L264-L340 HydrophobicContact CD1-CD2 4.48Å; T319-L340 PolarHBondContact O-N 2.82Å; V320-L340 WeakPolarHBondContact CA-O 3.35Å; V320-L340 HydrophobicContact CG2-CB 4.46Å; L321-L340 PolarHBondContact N-O 3.11Å
341P98.8Very high98.1Very high0 Ų035.9 Ų35.90%017%0.17CC..EExtended strand (participates in β ladder)trans-71.2136.5169.9-14.930.8000111.2D248 Y249 V250 L321 V324 V330 M331 I335 I339D248-P341 VanDerWaalsContact O-CD 3.25Å; D248-P341 WeakPolarHBondContact O-CD 3.45Å; Y249-P341 CarbonylContact C-O 3.45Å; Y249-P341 WeakPolarHBondContact CA-O 3.41Å; V250-P341 PolarHBondContact N-O 2.9Å; L321-P341 CarbonylContact O-C 3.43Å; L321-P341 WeakPolarHBondContact O-CA 3.41Å; V324-P341 HydrophobicContact CG1-CB 4.14Å; V324-P341 HydrophobicContact CG2-CB 3.92Å; V330-P341 HydrophobicContact CG1-CG 4.29Å; V330-P341 HydrophobicContact CG2-CG 3.65Å; M331-P341 HydrophobicContact SD-CB 3.93Å; M331-P341 HydrophobicContact SD-CG 4.14Å; I335-P341 VanDerWaalsContact CD1-CD 3.42Å; I335-P341 HydrophobicContact CD1-CG 3.57Å; I339-P341 WeakPolarHBondContact O-CD 3.39Å
342I98.8Very high98.2Very high1 Ų136.3 Ų36.31%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-106.6124.9165.5-54.4-178.5000107.3V250 C252 Q257 L260 L261 L264 V320 L321 V322V250-I342 HydrophobicContact CB-CG1 4.25Å; V250-I342 HydrophobicContact CB-CG2 4.46Å; V250-I342 HydrophobicContact CG1-CG2 4.28Å; C252-I342 VanDerWaalsContact SG-CG2 3.52Å; Q257-I342 HydrophobicContact CB-CG2 4.3Å; Q257-I342 HydrophobicContact CG-CG2 4.12Å; L260-I342 HydrophobicContact CD2-CD1 4.45Å; L261-I342 HydrophobicContact CD2-CD1 3.97Å; L264-I342 HydrophobicContact CD1-CD1 4.13Å; V320-I342 HydrophobicContact CG1-CD1 3.67Å; V320-I342 HydrophobicContact CG1-CG1 3.9Å; L321-I342 PolarHBondContact O-N 2.52Å; V322-I342 HydrophobicContact CG1-CB 4.47Å
343V98.6Very high98.2Very high17 Ų1736.4 Ų36.410%0.10317%0.173CC..EExtended strand (participates in β ladder)trans-115125.1178.3-179.70000108V250 L251 C252 V324 M331 F354V250-V343 PolarHBondContact O-N 3.07Å; L251-V343 WeakPolarHBondContact CA-O 3.46Å; L251-V343 HydrophobicContact CD2-CB 3.89Å; L251-V343 HydrophobicContact CD2-CG1 4.17Å; C252-V343 PolarHBondContact N-O 2.96Å; V324-V343 HydrophobicContact CG2-CG2 3.57Å; M331-V343 HydrophobicContact CE-CG2 3.79Å; M331-V343 HydrophobicContact SD-CG2 3.98Å; V343-F354 HydrophobicContact CG1-CE2 4Å; V343-F354 HydrophobicContact CG1-CZ 4.25Å
344N98.5Very high98.4Very high54 Ų5433.1 Ų33.129%0.28916%0.157SC..EExtended strand (participates in β ladder)trans-78.3137.3179.9-57.5116.5000112.4C252 S253 P254 Q257C252-N344 CarbonylContact O-C 3.58Å; C252-N344 WeakPolarHBondContact O-CA 3.16Å; S253-N344 PolarHBondContact O-ND2 3.38Å; P254-N344 HydrophobicContact CG-CB 4.2Å; Q257-N344 PolarHBondContact OE1-ND2 3.44Å; Q257-N344 PolarHBondContact OE1-OD1 2.9Å; Q257-N344 VanDerWaalsContact OE1-OD1 3.11Å
345V98.3Very high98.5Very high5 Ų531.2 Ų31.23%0.0315%0.149CC..  trans-134.2146.2173.6-66.30000109Y218 L251 C252 S253 E350 A351Y218-V345 HydrophobicContact CE2-CG2 4.3Å; L251-V345 HydrophobicContact CB-CG2 4.12Å; L251-V345 HydrophobicContact CD2-CG1 3.99Å; C252-V345 PolarHBondContact O-N 3.06Å; S253-V345 WeakPolarHBondContact CA-O 3.1Å; V345-E350 HydrophobicContact CB-CB 4.3Å; V345-E350 HydrophobicContact CB-CG 4.11Å; V345-E350 HydrophobicContact CG1-CG 4.14Å; V345-A351 HydrophobicContact CG2-CB 4.06Å
346R96.8Very high98.5Very high209 Ų20935.3 Ų35.379%0.78917%0.171SC*.SBendtrans-80.9-18-174.6-63.5168.8-76.7176.4-7.4113.3E350R346-E350 WeakPolarHBondContact CB-OE2 3.5Å; R346-E350 WeakPolarHBondContact CG-OE2 3.36Å; R346-E350 IonicContact CZ-OE1 3.46Å; R346-E350 IonicContact CZ-OE2 2.67Å; R346-E350 PolarHBondContact N-OE2 3.47Å; R346-E350 IonicContact NE-OE1 3.48Å; R346-E350 PolarHBondContact NE-OE1 3.41Å; R346-E350 IonicContact NE-OE2 3.57Å; R346-E350 PolarHBondContact NE-OE2 3.33Å; R346-E350 IonicContact NH2-OE1 2.76Å; R346-E350 PolarHBondContact NH2-OE1 3.07Å; R346-E350 IonicContact NH2-OE2 3.35Å
347S97.5Very high98.4Very high47 Ų4739.6 Ų39.633%0.32919%0.186SC..SBendtrans-163.9168.9-177.870.50000112.2D349 E350 A351S347-D349 PolarHBondContact O-N 3.46Å; S347-D349 PolarHBondContact OG-N 2.88Å; S347-E350 PolarHBondContact O-N 3.29Å; S347-E350 PolarHBondContact OG-N 3.14Å; S347-A351 PolarHBondContact O-N 3.25Å
348V98.3Very high98.4Very high12 Ų1242 Ų427%0.07320%0.195CC..Hα-helixtrans-58.7-31.1168.767.30000112.5Y218 A351 I352 V373 V377Y218-V348 HydrophobicContact CE1-CB 4.22Å; Y218-V348 HydrophobicContact CE1-CG2 4.05Å; Y218-V348 HydrophobicContact CE2-CB 4.46Å; Y218-V348 PolarHBondContact OH-N 3.13Å; V348-A351 PolarHBondContact O-N 3.17Å; V348-I352 HydrophobicContact CG2-CD1 3.92Å; V348-I352 HydrophobicContact CG2-CG1 4.4Å; V348-I352 WeakPolarHBondContact O-CB 3.44Å; V348-I352 WeakPolarHBondContact O-CD1 3.21Å; V348-I352 VanDerWaalsContact O-CG1 3.23Å; V348-I352 WeakPolarHBondContact O-CG1 3.1Å; V348-I352 PolarHBondContact O-N 2.88Å; V348-V373 HydrophobicContact CG2-CG1 4.11Å; V348-V377 HydrophobicContact CG2-CG2 3.67Å
349D98.6Very high98.4Very high83 Ų8348.8 Ų48.844%0.44423%0.227SC..Hα-helixtrans-67.2-45.2178-73.5-60.9000111.3S347 A351 I352 E353 R376S347-D349 PolarHBondContact O-N 3.46Å; S347-D349 PolarHBondContact OG-N 2.88Å; D349-A351 VanDerWaalsContact C-N 3.31Å; D349-A351 PolarHBondContact O-N 3.39Å; D349-I352 PolarHBondContact O-N 2.76Å; D349-E353 PolarHBondContact O-N 2.85Å; D349-R376 IonicContact OD1-CZ 3.39Å; D349-R376 IonicContact OD1-NH2 3.14Å; D349-R376 PolarHBondContact OD1-NH2 2.87Å; D349-R376 IonicContact OD2-CZ 3.07Å; D349-R376 IonicContact OD2-NH2 3.53Å; D349-R376 PolarHBondContact OD2-NH2 3.08Å
350E98.5Very high98.4Very high48 Ų4853.2 Ų53.222%0.22425%0.246CC..Hα-helixtrans-65.7-36.3175.1-176.7166.3-142.100111.5V345 R346 S347 E353 F354V345-E350 HydrophobicContact CB-CB 4.3Å; V345-E350 HydrophobicContact CB-CG 4.11Å; V345-E350 HydrophobicContact CG1-CG 4.14Å; R346-E350 WeakPolarHBondContact CB-OE2 3.5Å; R346-E350 WeakPolarHBondContact CG-OE2 3.36Å; R346-E350 IonicContact CZ-OE1 3.46Å; R346-E350 IonicContact CZ-OE2 2.67Å; R346-E350 PolarHBondContact N-OE2 3.47Å; R346-E350 IonicContact NE-OE1 3.48Å; R346-E350 PolarHBondContact NE-OE1 3.41Å; R346-E350 IonicContact NE-OE2 3.57Å; R346-E350 PolarHBondContact NE-OE2 3.33Å; R346-E350 IonicContact NH2-OE1 2.76Å; R346-E350 PolarHBondContact NH2-OE1 3.07Å; R346-E350 IonicContact NH2-OE2 3.35Å; S347-E350 PolarHBondContact O-N 3.29Å; S347-E350 PolarHBondContact OG-N 3.14Å; E350-E353 PolarHBondContact O-N 3.02Å; E350-F354 VanDerWaalsContact O-CB 3.25Å; E350-F354 WeakPolarHBondContact O-CB 3.42Å; E350-F354 PolarHBondContact O-N 3.27Å
351A98.7Very high98.3Very high1 Ų153.4 Ų53.41%0.00825%0.248CC..Hα-helixtrans-61.8-46.1173.300000112.2Y218 L251 V345 S347 V348 D349 F354 I355Y218-A351 HydrophobicContact CD2-CB 3.35Å; Y218-A351 HydrophobicContact CE2-CB 3.62Å; Y218-A351 HydrophobicContact CG-CB 4.25Å; L251-A351 HydrophobicContact CB-CB 4.47Å; L251-A351 HydrophobicContact CD1-CB 4.05Å; V345-A351 HydrophobicContact CG2-CB 4.06Å; S347-A351 PolarHBondContact O-N 3.25Å; V348-A351 PolarHBondContact O-N 3.17Å; D349-A351 VanDerWaalsContact C-N 3.31Å; D349-A351 PolarHBondContact O-N 3.39Å; A351-F354 WeakPolarHBondContact O-CB 3.31Å; A351-F354 PolarHBondContact O-N 2.97Å; A351-I355 WeakPolarHBondContact O-CD1 3.19Å; A351-I355 WeakPolarHBondContact O-CG1 3.39Å; A351-I355 PolarHBondContact O-N 3.48Å
352I98.9Very high98.3Very high10 Ų1053.6 Ų53.65%0.05125%0.248CC..Hα-helixtrans-63.6-42.7178.4-72.1166.7000110.5V348 D349 I355 N356 R376 V377 Q380 T381V348-I352 HydrophobicContact CG2-CD1 3.92Å; V348-I352 HydrophobicContact CG2-CG1 4.4Å; V348-I352 WeakPolarHBondContact O-CB 3.44Å; V348-I352 WeakPolarHBondContact O-CD1 3.21Å; V348-I352 VanDerWaalsContact O-CG1 3.23Å; V348-I352 WeakPolarHBondContact O-CG1 3.1Å; V348-I352 PolarHBondContact O-N 2.88Å; D349-I352 PolarHBondContact O-N 2.76Å; I352-I355 PolarHBondContact O-N 2.63Å; I352-N356 WeakPolarHBondContact CG2-ND2 3.43Å; I352-N356 WeakPolarHBondContact O-CB 3.27Å; I352-N356 VanDerWaalsContact O-CG 3.3Å; I352-N356 PolarHBondContact O-N 2.75Å; I352-N356 PolarHBondContact O-ND2 2.68Å; I352-R376 HydrophobicContact CD1-CB 4.43Å; I352-V377 HydrophobicContact CD1-CG2 4.37Å; I352-V377 HydrophobicContact CG1-CG2 4.38Å; I352-Q380 HydrophobicContact CD1-CB 4.21Å; I352-Q380 HydrophobicContact CG2-CB 3.89Å; I352-T381 HydrophobicContact CG1-CG2 4.26Å; I352-T381 HydrophobicContact CG2-CG2 4.13Å
353E98.6Very high98.3Very high127 Ų12753.5 Ų53.559%0.59325%0.248SC*.Hα-helixtrans-62.2-43.6174.5-174.3178.5177.100111.9D349 E350 I355 N356 R357D349-E353 PolarHBondContact O-N 2.85Å; E350-E353 PolarHBondContact O-N 3.02Å; E353-I355 VanDerWaalsContact C-N 3.3Å; E353-I355 PolarHBondContact O-N 3.22Å; E353-N356 PolarHBondContact O-N 3.39Å; E353-R357 WeakPolarHBondContact O-CG 3.28Å; E353-R357 PolarHBondContact O-N 3.45Å; E353-R357 VanDerWaalsContact O-N 3.08Å
354F98.6Very high98.3Very high6 Ų652.7 Ų52.73%0.02624%0.243CC..Hα-helixtrans-58.1-42176.4-172.9-77.9000112.5Y249 L251 M331 V343 E350 A351 R357 R358Y249-F354 HydrophobicContact CD2-CE1 4.28Å; Y249-F354 AromaticContact CE2-CD1 3.97Å; Y249-F354 HydrophobicContact CE2-CD1 3.97Å; Y249-F354 AromaticContact CE2-CE1 3.46Å; Y249-F354 HydrophobicContact CE2-CE1 3.46Å; Y249-F354 VanDerWaalsContact CE2-CE1 3.46Å; Y249-F354 HydrophobicContact CE2-CZ 4.45Å; Y249-F354 AromaticContact CZ-CE1 3.82Å; L251-F354 HydrophobicContact CD1-CB 4.36Å; L251-F354 HydrophobicContact CD1-CD1 3.91Å; L251-F354 HydrophobicContact CD1-CG 4.32Å; L251-F354 HydrophobicContact CD2-CD1 3.83Å; L251-F354 HydrophobicContact CD2-CD2 4.43Å; L251-F354 HydrophobicContact CD2-CE1 3.92Å; L251-F354 HydrophobicContact CD2-CG 4.11Å; L251-F354 HydrophobicContact CD2-CZ 4.3Å; L251-F354 HydrophobicContact CG-CD1 4.46Å; M331-F354 HydrophobicContact CE-CE1 4.18Å; M331-F354 HydrophobicContact CE-CZ 3.84Å; V343-F354 HydrophobicContact CG1-CE2 4Å; V343-F354 HydrophobicContact CG1-CZ 4.25Å; E350-F354 VanDerWaalsContact O-CB 3.25Å; E350-F354 WeakPolarHBondContact O-CB 3.42Å; E350-F354 PolarHBondContact O-N 3.27Å; A351-F354 WeakPolarHBondContact O-CB 3.31Å; A351-F354 PolarHBondContact O-N 2.97Å; F354-R357 VanDerWaalsContact O-CG 3.27Å; F354-R357 WeakPolarHBondContact O-CG 3.22Å; F354-R358 VanDerWaalsContact CD1-NH1 3.33Å; F354-R358 PolarHBondContact O-NH1 3.19Å
355I98.7Very high98.3Very high7 Ų750.2 Ų50.24%0.03623%0.23CC..Hα-helixtrans-69.9-47.4178.5-67166.4000110.2P216 L251 A351 I352 E353 R357 R358 L364 T381P216-I355 HydrophobicContact CB-CD1 3.81Å; P216-I355 HydrophobicContact CB-CG1 3.77Å; P216-I355 HydrophobicContact CG-CB 4.49Å; P216-I355 HydrophobicContact CG-CD1 3.86Å; P216-I355 HydrophobicContact CG-CG1 3.72Å; P216-I355 HydrophobicContact CG-CG2 4.02Å; L251-I355 HydrophobicContact CD1-CD1 4.01Å; L251-I355 HydrophobicContact CD1-CG1 3.83Å; A351-I355 WeakPolarHBondContact O-CD1 3.19Å; A351-I355 WeakPolarHBondContact O-CG1 3.39Å; A351-I355 PolarHBondContact O-N 3.48Å; I352-I355 PolarHBondContact O-N 2.63Å; E353-I355 VanDerWaalsContact C-N 3.3Å; E353-I355 PolarHBondContact O-N 3.22Å; I355-R357 VanDerWaalsContact C-N 3.3Å; I355-R357 PolarHBondContact O-N 3.22Å; I355-R358 PolarHBondContact O-N 3.2Å; I355-R358 VanDerWaalsContact O-N 3.15Å; I355-L364 HydrophobicContact CD1-CD1 4.1Å; I355-L364 HydrophobicContact CG2-CD1 3.89Å; I355-T381 HydrophobicContact CB-CG2 4.34Å; I355-T381 HydrophobicContact CD1-CG2 4.49Å; I355-T381 HydrophobicContact CG2-CG2 3.97Å
356N98.6Very high98.3Very high85 Ų8550 Ų5046%0.45523%0.228SC..Hα-helixtrans-70.3-21.8-174-75.3-23.1000114.2I352 E353 R358 Q380I352-N356 WeakPolarHBondContact CG2-ND2 3.43Å; I352-N356 WeakPolarHBondContact O-CB 3.27Å; I352-N356 VanDerWaalsContact O-CG 3.3Å; I352-N356 PolarHBondContact O-N 2.75Å; I352-N356 PolarHBondContact O-ND2 2.68Å; E353-N356 PolarHBondContact O-N 3.39Å; N356-R358 PolarHBondContact O-N 2.68Å; N356-Q380 PolarHBondContact ND2-O 2.66Å; N356-Q380 PolarHBondContact OD1-O 2.95Å
357R97.8Very high98.4Very high120 Ų12040.2 Ų40.245%0.45319%0.192SC..THydrogen-bonded Turntrans-76.6-3173.668.6174.6177.9-111.811.2114.2E326 E353 F354 I355E326-R357 IonicContact OE1-CZ 3.73Å; E326-R357 IonicContact OE1-NE 3.52Å; E326-R357 PolarHBondContact OE1-NE 3.42Å; E326-R357 IonicContact OE1-NH2 3.94Å; E326-R357 PolarHBondContact OE1-NH2 2.87Å; E326-R357 IonicContact OE2-CZ 3.21Å; E326-R357 IonicContact OE2-NE 3.5Å; E326-R357 IonicContact OE2-NH2 2.76Å; E326-R357 PolarHBondContact OE2-NH2 2.88Å; E353-R357 WeakPolarHBondContact O-CG 3.28Å; E353-R357 PolarHBondContact O-N 3.45Å; E353-R357 VanDerWaalsContact O-N 3.08Å; F354-R357 VanDerWaalsContact O-CG 3.27Å; F354-R357 WeakPolarHBondContact O-CG 3.22Å; I355-R357 VanDerWaalsContact C-N 3.3Å; I355-R357 PolarHBondContact O-N 3.22Å
358R97.5Very high98.4Very high49 Ų4938 Ų3819%0.18518%0.176CC..SBendtrans-111.1168.6-179.2-70.2170.416761.810.9111.4E326 F354 I355 N356E326-R358 IonicContact OE1-CZ 2.84Å; E326-R358 IonicContact OE1-NH1 2.81Å; E326-R358 PolarHBondContact OE1-NH1 3.46Å; E326-R358 IonicContact OE1-NH2 3.51Å; E326-R358 PolarHBondContact OE1-NH2 2.91Å; F354-R358 VanDerWaalsContact CD1-NH1 3.33Å; F354-R358 PolarHBondContact O-NH1 3.19Å; I355-R358 PolarHBondContact O-N 3.2Å; I355-R358 VanDerWaalsContact O-N 3.15Å; N356-R358 PolarHBondContact O-N 2.68Å
359E98.3Very high98.4Very high144 Ų14443 Ų4367%0.67320%0.202SC*.PPolyproline II helixtrans-57.2142168-69.9-61165.400111.3A407E359-A407 HydrophobicContact CB-CB 3.91Å; E359-A407 HydrophobicContact CG-CB 3.98Å; E359-A407 VanDerWaalsContact OE2-CB 3.28Å; E359-A407 WeakPolarHBondContact OE2-CB 3.24Å
360K98.7Very high98.3Very high92 Ų9240.6 Ų40.640%0.419%0.192SC..PPolyproline II helixtrans-62.5124.4-179.8-67.6178.4179.9-1650110.2S382 V405 S408K360-S382 WeakPolarHBondContact CD-OG 3.27Å; K360-S382 WeakPolarHBondContact CE-OG 3.42Å; K360-S382 PolarHBondContact NZ-OG 2.95Å; K360-V405 HydrophobicContact CB-CG1 4.18Å; K360-V405 WeakPolarHBondContact CB-O 3.47Å; K360-V405 HydrophobicContact CD-CG1 4.04Å; K360-V405 HydrophobicContact CD-CG2 4.24Å; K360-S408 VanDerWaalsContact O-CB 3.31Å; K360-S408 WeakPolarHBondContact O-CB 3.39Å; K360-S408 PolarHBondContact O-OG 3.35Å
361P98.4Very high98.3Very high5 Ų542.9 Ų42.93%0.03221%0.213CC..PPolyproline II helixtrans-78.6167.5-176.833.6-37.2000111.8P216 A363 S383 G384 S408P216-P361 HydrophobicContact CG-CG 4.23Å; P361-A363 WeakPolarHBondContact CB-O 3.39Å; P361-A363 WeakPolarHBondContact CG-O 3.42Å; P361-S383 WeakPolarHBondContact O-CA 3.3Å; P361-G384 PolarHBondContact O-N 2.99Å; P361-G384 VanDerWaalsContact O-N 3.15Å; P361-S408 VanDerWaalsContact C-CB 3.47Å; P361-S408 PolarHBondContact O-OG 3.03Å; P361-S408 VanDerWaalsContact O-OG 3.09Å
362L98.3Very high98.3Very high3 Ų349.7 Ų49.72%0.01625%0.245CC..SBendtrans-72.3-39.6173.6-178.861.1000110.5L211 N215 C244 V245 G384 G385 F402L211-L362 WeakPolarHBondContact O-CD2 3.48Å; N215-L362 PolarHBondContact OD1-N 3.29Å; C244-L362 HydrophobicContact CB-CD2 3.76Å; C244-L362 VanDerWaalsContact SG-CD2 3.57Å; V245-L362 HydrophobicContact CG1-CD2 3.58Å; V245-L362 HydrophobicContact CG1-CG 3.94Å; L362-G384 CarbonylContact O-C 3.54Å; L362-G384 WeakPolarHBondContact O-CA 3.39Å; L362-G384 PolarHBondContact O-N 3.48Å; L362-G384 VanDerWaalsContact O-N 3.14Å; L362-G385 PolarHBondContact O-N 2.73Å; L362-F402 HydrophobicContact CD1-CZ 4.49Å; L362-F402 HydrophobicContact CD2-CZ 3.94Å; L362-F402 HydrophobicContact CG-CZ 4.5Å
363A98Very high98.2Very high0 Ų050.2 Ų50.20%025%0.248CC..EExtended strand (participates in β ladder)trans-132.9154.9176.900000111.8N215 V245 P361 Y365 G385N215-A363 WeakPolarHBondContact CA-O 3.19Å; N215-A363 HydrophobicContact CB-CB 4.43Å; N215-A363 VanDerWaalsContact CB-O 3.24Å; N215-A363 WeakPolarHBondContact CB-O 3.38Å; N215-A363 PolarHBondContact OD1-N 3.31Å; N215-A363 PolarHBondContact OD1-O 3.05Å; V245-A363 HydrophobicContact CB-CB 4.19Å; V245-A363 HydrophobicContact CG1-CB 4.13Å; P361-A363 WeakPolarHBondContact CB-O 3.39Å; P361-A363 WeakPolarHBondContact CG-O 3.42Å; A363-Y365 HydrophobicContact CB-CE1 4.39Å; A363-Y365 HydrophobicContact CB-CE2 3.91Å; A363-Y365 WeakPolarHBondContact CB-OH 3.3Å; A363-G385 WeakPolarHBondContact CA-O 3.41Å
364L98.5Very high98.2Very high0 Ų045.2 Ų45.20%023%0.227CC..EExtended strand (participates in β ladder)trans-136.1135.9173.5-171.8153.1000109.9P216 I355 V377 T381 G385 F386 C387P216-L364 HydrophobicContact CG-CD1 3.97Å; P216-L364 HydrophobicContact CG-CG 3.96Å; I355-L364 HydrophobicContact CD1-CD1 4.1Å; I355-L364 HydrophobicContact CG2-CD1 3.89Å; L364-V377 HydrophobicContact CD2-CG1 3.46Å; L364-V377 VanDerWaalsContact CD2-CG1 3.46Å; L364-T381 HydrophobicContact CD1-CG2 4.2Å; L364-T381 WeakPolarHBondContact CD1-OG1 3.28Å; L364-G385 PolarHBondContact N-O 2.75Å; L364-F386 HydrophobicContact CB-CD2 4.29Å; L364-F386 HydrophobicContact CD2-CD2 3.44Å; L364-F386 VanDerWaalsContact CD2-CD2 3.44Å; L364-F386 HydrophobicContact CD2-CE2 3.35Å; L364-F386 HydrophobicContact CG-CD2 4.41Å; L364-F386 WeakPolarHBondContact O-CA 3.4Å; L364-C387 PolarHBondContact O-N 3.49Å
365Y98.5Very high98.2Very high2 Ų251.6 Ų51.61%0.00825%0.254CS..EExtended strand (participates in β ladder)trans-119.9139.7-178.3-53.5-68.2000111.4N215 P216 C217 Y218 F235 V245 P247 A363 C387 D390 G391N215-Y365 HydrophobicContact CB-CE2 4.27Å; P216-Y365 PolarHBondContact O-N 3.08Å; C217-Y365 WeakPolarHBondContact CA-O 3.39Å; Y218-Y365 PolarHBondContact N-O 2.87Å; F235-Y365 HydrophobicContact CE1-CE1 4.34Å; F235-Y365 AromaticContact CE1-CE2 3.83Å; F235-Y365 HydrophobicContact CE1-CE2 3.83Å; F235-Y365 AromaticContact CE1-CZ 3.57Å; F235-Y365 VanDerWaalsContact CE1-OH 3.24Å; F235-Y365 WeakPolarHBondContact CE1-OH 3.43Å; V245-Y365 VanDerWaalsContact O-CE2 3.29Å; V245-Y365 WeakPolarHBondContact O-CE2 3.4Å; V245-Y365 PolarHBondContact O-OH 3.18Å; P247-Y365 HydrophobicContact CB-CD2 4.25Å; A363-Y365 HydrophobicContact CB-CE1 4.39Å; A363-Y365 HydrophobicContact CB-CE2 3.91Å; A363-Y365 WeakPolarHBondContact CB-OH 3.3Å; Y365-C387 WeakPolarHBondContact CA-O 3.18Å; Y365-C387 HydrophobicContact CD1-CB 3.79Å; Y365-C387 HydrophobicContact CE1-CB 3.85Å; Y365-D390 VanDerWaalsContact CD1-O 3.27Å; Y365-D390 WeakPolarHBondContact CD1-O 3.3Å; Y365-G391 VanDerWaalsContact CE1-C 3.47Å; Y365-G391 WeakPolarHBondContact CE1-O 3.32Å
366A98.3Very high98.2Very high0 Ų055.4 Ų55.40%027%0.268CS..EExtended strand (participates in β ladder)trans-137.8118.8175.100000110.7Y218 V377 F386 C387 G388 N389Y218-A366 CarbonylContact O-C 3.58Å; Y218-A366 WeakPolarHBondContact O-CA 3.46Å; A366-V377 HydrophobicContact CB-CB 4.2Å; A366-V377 HydrophobicContact CB-CG1 4.19Å; A366-V377 HydrophobicContact CB-CG2 4.36Å; A366-F386 HydrophobicContact CB-CE2 4.18Å; A366-F386 HydrophobicContact CB-CZ 3.88Å; A366-C387 PolarHBondContact N-O 2.84Å; A366-G388 CarbonylContact O-C 3.59Å; A366-G388 WeakPolarHBondContact O-CA 3.47Å; A366-N389 PolarHBondContact O-N 3.42Å
367F98.6Very high98.2Very high4 Ų451.4 Ų51.42%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-102.2117.8174.1-71.6-96.5000109.5C217 Y218 V219 D220 V228 R231 V232 N389C217-F367 VanDerWaalsContact SG-CE2 3.59Å; Y218-F367 PolarHBondContact O-N 2.88Å; V219-F367 HydrophobicContact CG1-CB 4.32Å; V219-F367 HydrophobicContact CG2-CB 4.36Å; V219-F367 HydrophobicContact CG2-CD2 4.33Å; D220-F367 VanDerWaalsContact CB-O 3.23Å; D220-F367 WeakPolarHBondContact CB-O 3.15Å; D220-F367 PolarHBondContact N-O 3Å; V228-F367 HydrophobicContact CG1-CD1 4.47Å; V228-F367 HydrophobicContact CG1-CG 4.35Å; V228-F367 HydrophobicContact CG2-CB 4.05Å; V228-F367 HydrophobicContact CG2-CD1 3.84Å; V228-F367 HydrophobicContact CG2-CG 4.08Å; R231-F367 HydrophobicContact CB-CE1 4.13Å; R231-F367 HydrophobicContact CB-CZ 4.06Å; V232-F367 HydrophobicContact CG2-CE2 4.04Å; V232-F367 HydrophobicContact CG2-CZ 4.27Å; F367-N389 WeakPolarHBondContact CA-OD1 3.36Å; F367-N389 WeakPolarHBondContact CE1-O 3.5Å
368S98.3Very high98.2Very high1 Ų149.8 Ų49.81%0.00725%0.247CC..  trans-161.2141.5171.2-1780000110.5D220 C223 S370 N389D220-S368 WeakPolarHBondContact OD2-CB 3.44Å; D220-S368 PolarHBondContact OD2-OG 3.15Å; C223-S368 WeakPolarHBondContact SG-CA 3.37Å; C223-S368 PolarHBondContact SG-N 3.43Å; S368-S370 PolarHBondContact O-N 3.3Å; S368-S370 WeakPolarHBondContact OG-CB 3.3Å; S368-S370 PolarHBondContact OG-N 3.17Å; S368-S370 PolarHBondContact OG-O 2.9Å; S368-N389 PolarHBondContact N-OD1 2.67Å; S368-N389 PolarHBondContact O-ND2 3.25Å; S368-N389 PolarHBondContact O-OD1 3.34Å; S368-N389 VanDerWaalsContact O-OD1 3.14Å
369N97.7Very high98.3Very high115 Ų11551.8 Ų51.862%0.61527%0.265SS*.SBendtrans-74.4-11165.3-74.9-27.5000112.3N222N222-N369 WeakPolarHBondContact O-CB 3.46Å; N222-N369 VanDerWaalsContact O-CG 3.29Å; N222-N369 PolarHBondContact O-ND2 3.02Å
370S97.9Very high98.3Very high33 Ų3349.2 Ų49.223%0.23125%0.252CS..  trans-89.8110.7172.1179.40000110.8S368 Q372 V373 V374S368-S370 PolarHBondContact O-N 3.3Å; S368-S370 WeakPolarHBondContact OG-CB 3.3Å; S368-S370 PolarHBondContact OG-N 3.17Å; S368-S370 PolarHBondContact OG-O 2.9Å; S370-Q372 PolarHBondContact O-N 2.9Å; S370-Q372 VanDerWaalsContact O-N 3.17Å; S370-Q372 PolarHBondContact OG-N 3.42Å; S370-V373 PolarHBondContact O-N 2.85Å; S370-V373 PolarHBondContact OG-N 3.43Å; S370-V374 PolarHBondContact O-N 2.98Å
371S97.4Very high98.3Very high96 Ų9645.8 Ų45.867%0.67124%0.24SC*.Hα-helixtrans-59.8-26.2173.661.10000112.7K375S371-K375 WeakPolarHBondContact O-CB 3.36Å; S371-K375 PolarHBondContact O-N 3.26Å
372Q98Very high98.3Very high145 Ų14547.7 Ų47.768%0.67825%0.253SS*.Hα-helixtrans-68.6-40.6175-64.8-176.5-7.200111.7S370 K375 R376S370-Q372 PolarHBondContact O-N 2.9Å; S370-Q372 VanDerWaalsContact O-N 3.17Å; S370-Q372 PolarHBondContact OG-N 3.42Å; Q372-K375 PolarHBondContact O-N 3.35Å; Q372-R376 WeakPolarHBondContact O-CB 3.25Å; Q372-R376 VanDerWaalsContact O-CG 3.28Å; Q372-R376 WeakPolarHBondContact O-CG 3.42Å; Q372-R376 PolarHBondContact O-N 3.06Å
373V98.3Very high98.3Very high20 Ų2048.8 Ų48.812%0.12126%0.261CS..Hα-helixtrans-64.5-50176.5171.20000110.1Y218 D220 V348 S370 K375 R376 V377Y218-V373 HydrophobicContact CD1-CG1 4.42Å; Y218-V373 HydrophobicContact CE1-CG1 3.74Å; D220-V373 HydrophobicContact CB-CG1 4.44Å; V348-V373 HydrophobicContact CG2-CG1 4.11Å; S370-V373 PolarHBondContact O-N 2.85Å; S370-V373 PolarHBondContact OG-N 3.43Å; V373-K375 VanDerWaalsContact C-N 3.31Å; V373-K375 PolarHBondContact O-N 3.37Å; V373-R376 WeakPolarHBondContact O-CB 3.24Å; V373-R376 PolarHBondContact O-N 3.5Å; V373-R376 VanDerWaalsContact O-N 3.14Å; V373-V377 WeakPolarHBondContact O-CG2 3.47Å; V373-V377 PolarHBondContact O-N 3.11Å; V373-V377 VanDerWaalsContact O-N 3.08Å
374V98.4Very high98.3Very high22 Ų2250.2 Ų50.213%0.13328%0.276CS..Hα-helixtrans-57.2-45.5176.8-178.80000111.1S370 R376 V377 L378 F386S370-V374 PolarHBondContact O-N 2.98Å; V374-R376 PolarHBondContact O-N 2.98Å; V374-V377 PolarHBondContact O-N 3.41Å; V374-L378 WeakPolarHBondContact O-CB 3.18Å; V374-L378 PolarHBondContact O-N 2.98Å; V374-F386 HydrophobicContact CG1-CE1 3.82Å; V374-F386 HydrophobicContact CG1-CZ 3.78Å
375K98.4Very high98.2Very high140 Ų14051 Ų5161%0.60928%0.284SS*.Hα-helixtrans-62.6-41.3177.8-177.3175.1179.8179.10112.1S371 Q372 V373 L378 T379S371-K375 WeakPolarHBondContact O-CB 3.36Å; S371-K375 PolarHBondContact O-N 3.26Å; Q372-K375 PolarHBondContact O-N 3.35Å; V373-K375 VanDerWaalsContact C-N 3.31Å; V373-K375 PolarHBondContact O-N 3.37Å; K375-L378 PolarHBondContact O-N 2.87Å; K375-T379 HydrophobicContact CG-CG2 4.06Å; K375-T379 WeakPolarHBondContact O-CB 3.5Å; K375-T379 VanDerWaalsContact O-CG2 3.31Å; K375-T379 WeakPolarHBondContact O-CG2 3.34Å; K375-T379 PolarHBondContact O-N 3.4Å; K375-T379 PolarHBondContact O-OG1 3.3Å
376R98.4Very high98.2Very high87 Ų8753.1 Ų53.133%0.32829%0.293SS..Hα-helixtrans-59.1-52.4177.3-78.5175.969.2-175.15.3110.7D349 I352 Q372 V373 V374 L378 T379 Q380D349-R376 IonicContact OD1-CZ 3.39Å; D349-R376 IonicContact OD1-NH2 3.14Å; D349-R376 PolarHBondContact OD1-NH2 2.87Å; D349-R376 IonicContact OD2-CZ 3.07Å; D349-R376 IonicContact OD2-NH2 3.53Å; D349-R376 PolarHBondContact OD2-NH2 3.08Å; I352-R376 HydrophobicContact CD1-CB 4.43Å; Q372-R376 WeakPolarHBondContact O-CB 3.25Å; Q372-R376 VanDerWaalsContact O-CG 3.28Å; Q372-R376 WeakPolarHBondContact O-CG 3.42Å; Q372-R376 PolarHBondContact O-N 3.06Å; V373-R376 WeakPolarHBondContact O-CB 3.24Å; V373-R376 PolarHBondContact O-N 3.5Å; V373-R376 VanDerWaalsContact O-N 3.14Å; V374-R376 PolarHBondContact O-N 2.98Å; R376-L378 VanDerWaalsContact C-N 3.32Å; R376-L378 PolarHBondContact O-N 3.01Å; R376-T379 PolarHBondContact O-N 3.43Å; R376-T379 PolarHBondContact O-OG1 3.27Å; R376-Q380 VanDerWaalsContact O-CB 3.32Å; R376-Q380 WeakPolarHBondContact O-CB 3.33Å; R376-Q380 WeakPolarHBondContact O-CG 3.48Å; R376-Q380 PolarHBondContact O-N 3.45Å
377V98.7Very high98.1Very high1 Ų154 Ų541%0.00630%0.299CS..Hα-helixtrans-56.8-47.1177.9-175.70000110.6Y218 V348 I352 L364 A366 V373 V374 T379 T381 F386Y218-V377 HydrophobicContact CD1-CG2 4.22Å; V348-V377 HydrophobicContact CG2-CG2 3.67Å; I352-V377 HydrophobicContact CD1-CG2 4.37Å; I352-V377 HydrophobicContact CG1-CG2 4.38Å; L364-V377 HydrophobicContact CD2-CG1 3.46Å; L364-V377 VanDerWaalsContact CD2-CG1 3.46Å; A366-V377 HydrophobicContact CB-CB 4.2Å; A366-V377 HydrophobicContact CB-CG1 4.19Å; A366-V377 HydrophobicContact CB-CG2 4.36Å; V373-V377 WeakPolarHBondContact O-CG2 3.47Å; V373-V377 PolarHBondContact O-N 3.11Å; V373-V377 VanDerWaalsContact O-N 3.08Å; V374-V377 PolarHBondContact O-N 3.41Å; V377-T379 PolarHBondContact O-N 3.11Å; V377-T381 HydrophobicContact CG1-CG2 4.44Å; V377-T381 WeakPolarHBondContact O-CB 3.46Å; V377-T381 WeakPolarHBondContact O-CG2 3.39Å; V377-T381 PolarHBondContact O-N 2.74Å; V377-T381 PolarHBondContact O-OG1 3.33Å; V377-F386 HydrophobicContact CB-CE2 4.39Å; V377-F386 HydrophobicContact CG1-CE2 4.11Å
378L98.4Very high98Very high87 Ų8755.3 Ų55.346%0.45531%0.314SS..Hα-helixtrans-57.9-46.6177173.861.6000113.1V374 K375 R376 F386V374-L378 WeakPolarHBondContact O-CB 3.18Å; V374-L378 PolarHBondContact O-N 2.98Å; K375-L378 PolarHBondContact O-N 2.87Å; R376-L378 VanDerWaalsContact C-N 3.32Å; R376-L378 PolarHBondContact O-N 3.01Å; L378-F386 HydrophobicContact CB-CD1 4.36Å; L378-F386 HydrophobicContact CB-CD2 4.23Å; L378-F386 HydrophobicContact CB-CE1 4Å; L378-F386 HydrophobicContact CB-CE2 3.85Å; L378-F386 HydrophobicContact CB-CG 4.48Å; L378-F386 HydrophobicContact CB-CZ 3.73Å; L378-F386 HydrophobicContact CD1-CB 3.87Å; L378-F386 HydrophobicContact CD1-CD1 3.79Å; L378-F386 HydrophobicContact CD1-CD2 3.92Å; L378-F386 HydrophobicContact CD1-CE1 4.3Å; L378-F386 HydrophobicContact CD1-CE2 4.4Å; L378-F386 HydrophobicContact CD1-CG 3.59Å; L378-F386 HydrophobicContact CG-CD1 4.45Å; L378-F386 HydrophobicContact CG-CE1 4.5Å
379T98.6Very high97.9Very high91 Ų9157.8 Ų57.856%0.55833%0.327SS*.Hα-helixtrans-81.9-19.3-173.156.70000114.6K375 R376 V377K375-T379 HydrophobicContact CG-CG2 4.06Å; K375-T379 WeakPolarHBondContact O-CB 3.5Å; K375-T379 VanDerWaalsContact O-CG2 3.31Å; K375-T379 WeakPolarHBondContact O-CG2 3.34Å; K375-T379 PolarHBondContact O-N 3.4Å; K375-T379 PolarHBondContact O-OG1 3.3Å; R376-T379 PolarHBondContact O-N 3.43Å; R376-T379 PolarHBondContact O-OG1 3.27Å; V377-T379 PolarHBondContact O-N 3.11Å
380Q98.8Very high97.8Very high89 Ų8954.4 Ų54.442%0.41631%0.308SS..Hα-helixtrans-110.75.6-173.4-61.9-177.2-14.500112.9I352 N356 R376I352-Q380 HydrophobicContact CD1-CB 4.21Å; I352-Q380 HydrophobicContact CG2-CB 3.89Å; N356-Q380 PolarHBondContact ND2-O 2.66Å; N356-Q380 PolarHBondContact OD1-O 2.95Å; R376-Q380 VanDerWaalsContact O-CB 3.32Å; R376-Q380 WeakPolarHBondContact O-CB 3.33Å; R376-Q380 WeakPolarHBondContact O-CG 3.48Å; R376-Q380 PolarHBondContact O-N 3.45Å
381T98.8Very high97.2Very high21 Ų2153 Ų5313%0.12930%0.3CS..  trans-128.3173.4174.965.30000110.8I352 I355 L364 V377I352-T381 HydrophobicContact CG1-CG2 4.26Å; I352-T381 HydrophobicContact CG2-CG2 4.13Å; I355-T381 HydrophobicContact CB-CG2 4.34Å; I355-T381 HydrophobicContact CD1-CG2 4.49Å; I355-T381 HydrophobicContact CG2-CG2 3.97Å; L364-T381 HydrophobicContact CD1-CG2 4.2Å; L364-T381 WeakPolarHBondContact CD1-OG1 3.28Å; V377-T381 HydrophobicContact CG1-CG2 4.44Å; V377-T381 WeakPolarHBondContact O-CB 3.46Å; V377-T381 WeakPolarHBondContact O-CG2 3.39Å; V377-T381 PolarHBondContact O-N 2.74Å; V377-T381 PolarHBondContact O-OG1 3.33Å
382S98.6Very high96.5Very high45 Ų4549.5 Ų49.532%0.31527%0.272SS..  trans-138.8126177.1-178.70000110K360K360-S382 WeakPolarHBondContact CD-OG 3.27Å; K360-S382 WeakPolarHBondContact CE-OG 3.42Å; K360-S382 PolarHBondContact NZ-OG 2.95Å
383S98.5Very high96.1Very high25 Ų2546.2 Ų46.218%0.17526%0.258CS..  trans-145.6170.3178.358.50000110P361 G385 V405P361-S383 WeakPolarHBondContact O-CA 3.3Å; S383-G385 WeakPolarHBondContact CB-O 3.47Å; S383-G385 PolarHBondContact OG-O 2.93Å; S383-V405 VanDerWaalsContact C-CG1 3.45Å; S383-V405 WeakPolarHBondContact O-CG1 3.28Å
384G97.6Very high95.4Very high31 Ų3146.4 Ų46.432%0.3226%0.258SS..SBendtrans-65.8-58.1172.700000111.9P361 L362 G403P361-G384 PolarHBondContact O-N 2.99Å; P361-G384 VanDerWaalsContact O-N 3.15Å; L362-G384 CarbonylContact O-C 3.54Å; L362-G384 WeakPolarHBondContact O-CA 3.39Å; L362-G384 PolarHBondContact O-N 3.48Å; L362-G384 VanDerWaalsContact O-N 3.14Å; G384-G403 CarbonylContact C-O 3.3Å; G384-G403 WeakPolarHBondContact CA-O 3.35Å
385G96.5Very high94.8Very high16 Ų1646.9 Ų46.917%0.16526%0.259CS..EExtended strand (participates in β ladder)trans-116.5158.517200000112.7L362 A363 L364 S383L362-G385 PolarHBondContact O-N 2.73Å; A363-G385 WeakPolarHBondContact CA-O 3.41Å; L364-G385 PolarHBondContact N-O 2.75Å; S383-G385 WeakPolarHBondContact CB-O 3.47Å; S383-G385 PolarHBondContact OG-O 2.93Å
386F97.4Very high94.3Very high47 Ų4743.4 Ų43.421%0.20625%0.249CC..EExtended strand (participates in β ladder)trans-133135.7172.6179-85.8000109.6L364 A366 V374 V377 L378L364-F386 HydrophobicContact CB-CD2 4.29Å; L364-F386 HydrophobicContact CD2-CD2 3.44Å; L364-F386 VanDerWaalsContact CD2-CD2 3.44Å; L364-F386 HydrophobicContact CD2-CE2 3.35Å; L364-F386 HydrophobicContact CG-CD2 4.41Å; L364-F386 WeakPolarHBondContact O-CA 3.4Å; A366-F386 HydrophobicContact CB-CE2 4.18Å; A366-F386 HydrophobicContact CB-CZ 3.88Å; V374-F386 HydrophobicContact CG1-CE1 3.82Å; V374-F386 HydrophobicContact CG1-CZ 3.78Å; V377-F386 HydrophobicContact CB-CE2 4.39Å; V377-F386 HydrophobicContact CG1-CE2 4.11Å; L378-F386 HydrophobicContact CB-CD1 4.36Å; L378-F386 HydrophobicContact CB-CD2 4.23Å; L378-F386 HydrophobicContact CB-CE1 4Å; L378-F386 HydrophobicContact CB-CE2 3.85Å; L378-F386 HydrophobicContact CB-CG 4.48Å; L378-F386 HydrophobicContact CB-CZ 3.73Å; L378-F386 HydrophobicContact CD1-CB 3.87Å; L378-F386 HydrophobicContact CD1-CD1 3.79Å; L378-F386 HydrophobicContact CD1-CD2 3.92Å; L378-F386 HydrophobicContact CD1-CE1 4.3Å; L378-F386 HydrophobicContact CD1-CE2 4.4Å; L378-F386 HydrophobicContact CD1-CG 3.59Å; L378-F386 HydrophobicContact CG-CD1 4.45Å; L378-F386 HydrophobicContact CG-CE1 4.5Å
387C97.1Very high93.9Very high19 Ų1943.1 Ų43.113%0.12825%0.254CS..EExtended strand (participates in β ladder)trans-133.4124.9171-163.40000111.2L364 Y365 A366 G391L364-C387 PolarHBondContact O-N 3.49Å; Y365-C387 WeakPolarHBondContact CA-O 3.18Å; Y365-C387 HydrophobicContact CD1-CB 3.79Å; Y365-C387 HydrophobicContact CE1-CB 3.85Å; A366-C387 PolarHBondContact N-O 2.84Å; C387-G391 WeakPolarHBondContact CB-O 3.45Å; C387-G391 PolarHBondContact SG-O 2.97Å; C387-G391 VanDerWaalsContact SG-O 3.41Å
388G97Very high93.5Very high31 Ų3144.3 Ų44.332%0.3226%0.264SS..EExtended strand (participates in β ladder)trans-93131.2174.900000110.3A366 D390A366-G388 CarbonylContact O-C 3.59Å; A366-G388 WeakPolarHBondContact O-CA 3.47Å; G388-D390 PolarHBondContact O-N 3.49Å; G388-D390 VanDerWaalsContact O-N 3.14Å
389N96.4Very high93.3Very high52 Ų5244.5 Ų44.528%0.27827%0.272SS..SBendtrans59.915.9177.7-63.9-43.5000115.1R231 A366 F367 S368R231-N389 WeakPolarHBondContact CD-O 3.34Å; R231-N389 VanDerWaalsContact CZ-O 3.29Å; R231-N389 PolarHBondContact NH1-O 3.33Å; A366-N389 PolarHBondContact O-N 3.42Å; F367-N389 WeakPolarHBondContact CA-OD1 3.36Å; F367-N389 WeakPolarHBondContact CE1-O 3.5Å; S368-N389 PolarHBondContact N-OD1 2.67Å; S368-N389 PolarHBondContact O-ND2 3.25Å; S368-N389 PolarHBondContact O-OD1 3.34Å; S368-N389 VanDerWaalsContact O-OD1 3.14Å
390D94.3Very high93.2Very high44 Ų4443.9 Ų43.924%0.23527%0.265CS..SBendtrans-154.2-178.8173.8-145.3-30.6000111Y365 G388Y365-D390 VanDerWaalsContact CD1-O 3.27Å; Y365-D390 WeakPolarHBondContact CD1-O 3.3Å; G388-D390 PolarHBondContact O-N 3.49Å; G388-D390 VanDerWaalsContact O-N 3.14Å
391G85.8Confident93.1Very high5 Ų542.3 Ų42.35%0.05226%0.263CS..SBendtrans-101-131.917900000114.4Y365 C387 M393 H394Y365-G391 VanDerWaalsContact CE1-C 3.47Å; Y365-G391 WeakPolarHBondContact CE1-O 3.32Å; C387-G391 WeakPolarHBondContact CB-O 3.45Å; C387-G391 PolarHBondContact SG-O 2.97Å; C387-G391 VanDerWaalsContact SG-O 3.41Å; G391-M393 PolarHBondContact O-N 2.85Å; G391-H394 PolarHBondContact O-ND1 3.14Å
392F83.3Confident93Very high21 Ų2142 Ų429%0.09226%0.26CS..G310 helixtrans-69.56.7-175.868.6-76.2000116.5W234 F235 V245 H394 M395W234-F392 AromaticContact CE3-CE1 3.94Å; W234-F392 HydrophobicContact CE3-CE1 3.94Å; W234-F392 HydrophobicContact CH2-CD1 4.43Å; W234-F392 AromaticContact CH2-CE1 3.41Å; W234-F392 HydrophobicContact CH2-CE1 3.41Å; W234-F392 VanDerWaalsContact CH2-CE1 3.41Å; W234-F392 HydrophobicContact CH2-CE2 4.25Å; W234-F392 AromaticContact CH2-CZ 3.29Å; W234-F392 HydrophobicContact CH2-CZ 3.29Å; W234-F392 HydrophobicContact CZ2-CE1 4.05Å; W234-F392 AromaticContact CZ2-CZ 3.8Å; W234-F392 HydrophobicContact CZ2-CZ 3.8Å; W234-F392 HydrophobicContact CZ3-CD1 4.08Å; W234-F392 AromaticContact CZ3-CE1 3.34Å; W234-F392 HydrophobicContact CZ3-CE1 3.34Å; W234-F392 AromaticContact CZ3-CZ 3.77Å; W234-F392 HydrophobicContact CZ3-CZ 3.77Å; F235-F392 HydrophobicContact CB-CD1 4.08Å; F235-F392 HydrophobicContact CB-CE1 4.21Å; F235-F392 HydrophobicContact CD1-CB 4.48Å; F235-F392 AromaticContact CD1-CD1 3.88Å; F235-F392 HydrophobicContact CD1-CD1 3.88Å; F235-F392 HydrophobicContact CD2-CB 4.34Å; F235-F392 AromaticContact CD2-CD1 3.01Å; F235-F392 HydrophobicContact CD2-CD1 3.01Å; F235-F392 AromaticContact CD2-CE1 3.41Å; F235-F392 HydrophobicContact CD2-CE1 3.41Å; F235-F392 VanDerWaalsContact CD2-CE1 3.41Å; F235-F392 AromaticContact CD2-CG 3.94Å; F235-F392 HydrophobicContact CD2-CG 3.94Å; F235-F392 HydrophobicContact CE1-CB 3.86Å; F235-F392 HydrophobicContact CE1-CD1 4.04Å; F235-F392 HydrophobicContact CE1-CG 4.43Å; F235-F392 HydrophobicContact CE2-CB 3.67Å; F235-F392 AromaticContact CE2-CD1 3.19Å; F235-F392 HydrophobicContact CE2-CD1 3.19Å; F235-F392 AromaticContact CE2-CE1 3.92Å; F235-F392 HydrophobicContact CE2-CE1 3.92Å; F235-F392 AromaticContact CE2-CG 3.62Å; F235-F392 HydrophobicContact CE2-CG 3.62Å; F235-F392 AromaticContact CG-CD1 3.4Å; F235-F392 HydrophobicContact CG-CD1 3.4Å; F235-F392 AromaticContact CG-CE1 3.91Å; F235-F392 HydrophobicContact CG-CE1 3.91Å; F235-F392 HydrophobicContact CG-CG 4.46Å; F235-F392 HydrophobicContact CZ-CB 3.4Å; F235-F392 AromaticContact CZ-CD1 3.71Å; F235-F392 HydrophobicContact CZ-CD1 3.71Å; F235-F392 AromaticContact CZ-CG 3.9Å; F235-F392 HydrophobicContact CZ-CG 3.9Å; V245-F392 HydrophobicContact CG2-CB 4.05Å; F392-H394 PolarHBondContact O-N 3.39Å; F392-M395 HydrophobicContact CB-CG 4.37Å; F392-M395 HydrophobicContact CB-SD 3.84Å; F392-M395 VanDerWaalsContact O-CB 3.29Å; F392-M395 WeakPolarHBondContact O-CB 3.32Å; F392-M395 PolarHBondContact O-N 2.77Å
393M88Confident93Very high76 Ų7640.3 Ų40.337%0.37425%0.249SC..G310 helixtrans-55.5-29.5-178.4-70.7-54.4-61.300113W234 G391 M395 T396 L397W234-M393 HydrophobicContact CH2-SD 4.11Å; W234-M393 HydrophobicContact CZ3-SD 4.25Å; G391-M393 PolarHBondContact O-N 2.85Å; M393-M395 PolarHBondContact O-N 3.46Å; M393-T396 HydrophobicContact CE-CG2 4.41Å; M393-T396 WeakPolarHBondContact O-CB 3.31Å; M393-T396 PolarHBondContact O-N 2.97Å; M393-T396 PolarHBondContact O-OG1 2.89Å; M393-L397 WeakPolarHBondContact O-CD1 3.36Å
394H84.7Confident93Very high25 Ų2539.7 Ų39.712%0.11625%0.247CC..G310 helixtrans-55.9-29.4173.569.9-82.2000113.7G391 F392 T396 L397 L400G391-H394 PolarHBondContact O-ND1 3.14Å; F392-H394 PolarHBondContact O-N 3.39Å; H394-T396 VanDerWaalsContact C-N 3.25Å; H394-T396 PolarHBondContact O-N 3.07Å; H394-L397 PolarHBondContact O-N 3.38Å; H394-L400 HydrophobicContact CB-CD1 4.28Å
395M86Confident93Very high31 Ų3140.5 Ų40.515%0.15325%0.245CC..G310 helixtrans-71.8-16.7176.8-62.7176.863.100113.8V245 F392 M393 L397 F402V245-M395 HydrophobicContact CB-SD 3.93Å; V245-M395 HydrophobicContact CG1-CE 4.44Å; V245-M395 HydrophobicContact CG1-SD 3.66Å; V245-M395 HydrophobicContact CG2-CE 4.18Å; V245-M395 HydrophobicContact CG2-SD 3.26Å; V245-M395 WeakPolarHBondContact CG2-SD 3.28Å; F392-M395 HydrophobicContact CB-CG 4.37Å; F392-M395 HydrophobicContact CB-SD 3.84Å; F392-M395 VanDerWaalsContact O-CB 3.29Å; F392-M395 WeakPolarHBondContact O-CB 3.32Å; F392-M395 PolarHBondContact O-N 2.77Å; M393-M395 PolarHBondContact O-N 3.46Å; M395-L397 VanDerWaalsContact C-N 3.26Å; M395-F402 HydrophobicContact CB-CD2 4.48Å; M395-F402 HydrophobicContact CE-CD2 4.07Å; M395-F402 HydrophobicContact CE-CE2 3.43Å; M395-F402 VanDerWaalsContact CE-CE2 3.43Å; M395-F402 HydrophobicContact CE-CZ 3.7Å; M395-F402 HydrophobicContact CG-CD2 3.7Å; M395-F402 HydrophobicContact CG-CE2 3.65Å; M395-F402 HydrophobicContact SD-CD2 4.34Å; M395-F402 HydrophobicContact SD-CE2 3.7Å; M395-F402 HydrophobicContact SD-CZ 4.43Å
396T86.5Confident93.1Very high68 Ų6842.1 Ų42.142%0.41726%0.262SS..G310 helixtrans-82.9-9.8179.368.80000112.1M393 H394 A398M393-T396 HydrophobicContact CE-CG2 4.41Å; M393-T396 WeakPolarHBondContact O-CB 3.31Å; M393-T396 PolarHBondContact O-N 2.97Å; M393-T396 PolarHBondContact O-OG1 2.89Å; H394-T396 VanDerWaalsContact C-N 3.25Å; H394-T396 PolarHBondContact O-N 3.07Å; T396-A398 PolarHBondContact O-N 3.5Å
397L91.5Very high93.1Very high81 Ų8141.5 Ų41.542%0.42427%0.266SS..  trans-92.697.4178.2-7877000110.2M393 H394 M395 S399 L400M393-L397 WeakPolarHBondContact O-CD1 3.36Å; H394-L397 PolarHBondContact O-N 3.38Å; M395-L397 VanDerWaalsContact C-N 3.26Å; L397-S399 PolarHBondContact O-N 3.49Å; L397-L400 HydrophobicContact CB-CD1 4.18Å; L397-L400 HydrophobicContact CB-CG 4.2Å; L397-L400 HydrophobicContact CD2-CD1 4.29Å; L397-L400 PolarHBondContact O-N 3.03Å
398A90.8Very high93.2Very high25 Ų2540.6 Ų40.621%0.20726%0.26CS..THydrogen-bonded Turntrans-61.9-4.3174.400000115E70 L73 T396E70-A398 VanDerWaalsContact OE1-CB 3.24Å; E70-A398 WeakPolarHBondContact OE1-CB 3.27Å; L73-A398 HydrophobicContact CD2-CB 3.45Å; L73-A398 VanDerWaalsContact CD2-CB 3.45Å; T396-A398 PolarHBondContact O-N 3.5Å
399S93.5Very high93.3Very high91 Ų9139.3 Ų39.364%0.63625%0.246SC*.THydrogen-bonded Turntrans-87-10.7170.957.50000113.6L397L397-S399 PolarHBondContact O-N 3.49Å
400L95.9Very high93.4Very high78 Ų7840.4 Ų40.441%0.40825%0.251SS..SBendtrans-99.2138.9169.8-65.4176.9000108.8H394 L397H394-L400 HydrophobicContact CB-CD1 4.28Å; L397-L400 HydrophobicContact CB-CD1 4.18Å; L397-L400 HydrophobicContact CB-CG 4.2Å; L397-L400 HydrophobicContact CD2-CD1 4.29Å; L397-L400 PolarHBondContact O-N 3.03Å
401P96.4Very high93.6Very high56 Ų5640.2 Ų40.236%0.36426%0.259SS..  trans-69.1140.6169.528.6-30.8000109.5Q412 F417P401-Q412 HydrophobicContact CB-CB 3.95Å; P401-Q412 HydrophobicContact CB-CG 4.09Å; P401-F417 HydrophobicContact CB-CD1 3.92Å; P401-F417 HydrophobicContact CB-CD2 3.97Å; P401-F417 HydrophobicContact CB-CE1 4Å; P401-F417 HydrophobicContact CB-CE2 4.07Å; P401-F417 HydrophobicContact CB-CG 3.9Å; P401-F417 HydrophobicContact CB-CZ 4.08Å; P401-F417 HydrophobicContact CG-CE1 4.26Å; P401-F417 HydrophobicContact CG-CE2 4.44Å; P401-F417 HydrophobicContact CG-CZ 4.15Å
402F97.8Very high94.2Very high15 Ų1544 Ų447%0.06628%0.276CS..BIsolated β-bridgetrans-108.9124.6168.6179.4-88.9000109E210 V245 L362 M395 Q412 Y413 H414E210-F402 WeakPolarHBondContact OE2-CE1 3.32Å; V245-F402 HydrophobicContact CG1-CE2 3.83Å; V245-F402 HydrophobicContact CG1-CZ 4.13Å; L362-F402 HydrophobicContact CD1-CZ 4.49Å; L362-F402 HydrophobicContact CD2-CZ 3.94Å; L362-F402 HydrophobicContact CG-CZ 4.5Å; M395-F402 HydrophobicContact CB-CD2 4.48Å; M395-F402 HydrophobicContact CE-CD2 4.07Å; M395-F402 HydrophobicContact CE-CE2 3.43Å; M395-F402 VanDerWaalsContact CE-CE2 3.43Å; M395-F402 HydrophobicContact CE-CZ 3.7Å; M395-F402 HydrophobicContact CG-CD2 3.7Å; M395-F402 HydrophobicContact CG-CE2 3.65Å; M395-F402 HydrophobicContact SD-CD2 4.34Å; M395-F402 HydrophobicContact SD-CE2 3.7Å; M395-F402 HydrophobicContact SD-CZ 4.43Å; F402-Q412 CarbonylContact O-C 3.53Å; F402-Q412 WeakPolarHBondContact O-CA 3.23Å; F402-Y413 AromaticContact CD1-CD1 3.97Å; F402-Y413 HydrophobicContact CD1-CD1 3.97Å; F402-Y413 AromaticContact CD1-CE1 3.3Å; F402-Y413 HydrophobicContact CD1-CE1 3.3Å; F402-Y413 AromaticContact CE1-CE1 3.83Å; F402-Y413 HydrophobicContact CE1-CE1 3.83Å; F402-Y413 HydrophobicContact CG-CE1 4.37Å; F402-Y413 PolarHBondContact N-O 3.03Å; F402-Y413 WeakPolarHBondContact O-CD1 3.47Å; F402-Y413 PolarHBondContact O-N 2.9Å; F402-H414 AromaticContact CG-CE1 3.91Å; F402-H414 AromaticContact CG-NE2 3.94Å
403G97.6Very high94.9Very high10 Ų1043.1 Ų43.110%0.10327%0.271CS..  trans-179.3157.2-178.800000112.2E210 G384E210-G403 WeakPolarHBondContact OE1-CA 3.43Å; E210-G403 WeakPolarHBondContact OE2-CA 3.46Å; G384-G403 CarbonylContact C-O 3.3Å; G384-G403 WeakPolarHBondContact CA-O 3.35Å
404G98Very high95.3Very high11 Ų1139.8 Ų39.811%0.11326%0.255CS..  trans-87.6175.6175.200000114.3G409G404-G409 CarbonylContact C-O 3.51Å
405V98.6Very high96Very high48 Ų4838.7 Ų38.729%0.29125%0.251SS..  trans-142.8130173.759.50000110.4K360 S383 A407 S408 G409K360-V405 HydrophobicContact CB-CG1 4.18Å; K360-V405 WeakPolarHBondContact CB-O 3.47Å; K360-V405 HydrophobicContact CD-CG1 4.04Å; K360-V405 HydrophobicContact CD-CG2 4.24Å; S383-V405 VanDerWaalsContact C-CG1 3.45Å; S383-V405 WeakPolarHBondContact O-CG1 3.28Å; V405-A407 PolarHBondContact O-N 3.17Å; V405-S408 PolarHBondContact N-OG 3.17Å; V405-S408 PolarHBondContact O-OG 3.31Å; V405-S408 VanDerWaalsContact O-OG 3.06Å; V405-G409 CarbonylContact C-O 3.56Å; V405-G409 WeakPolarHBondContact CA-O 3.36Å; V405-G409 PolarHBondContact N-O 3.33Å
406G98.4Very high96.5Very high51 Ų5140.3 Ų40.353%0.52626%0.256SS..BIsolated β-bridgetrans71.2-126.2-176.900000111S408 G409G406-S408 VanDerWaalsContact C-N 3.27Å; G406-S408 PolarHBondContact O-N 2.94Å; G406-G409 PolarHBondContact N-O 3.25Å; G406-G409 PolarHBondContact O-N 2.84Å
407A97.9Very high97.1Very high34 Ų3439.5 Ų39.528%0.28125%0.247SC..THydrogen-bonded Turntrans-68-24.2-17800000114.1L211 E359 V405 G409L211-A407 WeakPolarHBondContact CD1-O 3.47Å; E359-A407 HydrophobicContact CB-CB 3.91Å; E359-A407 HydrophobicContact CG-CB 3.98Å; E359-A407 VanDerWaalsContact OE2-CB 3.28Å; E359-A407 WeakPolarHBondContact OE2-CB 3.24Å; V405-A407 PolarHBondContact O-N 3.17Å; A407-G409 VanDerWaalsContact C-N 3.3Å
408S98.4Very high97.5Very high0 Ų035.7 Ų35.70%023%0.227CC..THydrogen-bonded Turntrans-79.9-8.8175.262.20000113.9L211 G212 K360 P361 V405 G406L211-S408 CarbonylContact C-O 3.51Å; L211-S408 VanDerWaalsContact CA-O 3.3Å; L211-S408 WeakPolarHBondContact CA-O 3.29Å; L211-S408 VanDerWaalsContact CB-O 3.29Å; L211-S408 WeakPolarHBondContact CB-O 3.41Å; L211-S408 PolarHBondContact N-O 2.9Å; G212-S408 WeakPolarHBondContact O-CA 3.34Å; K360-S408 VanDerWaalsContact O-CB 3.31Å; K360-S408 WeakPolarHBondContact O-CB 3.39Å; K360-S408 PolarHBondContact O-OG 3.35Å; P361-S408 VanDerWaalsContact C-CB 3.47Å; P361-S408 PolarHBondContact O-OG 3.03Å; P361-S408 VanDerWaalsContact O-OG 3.09Å; V405-S408 PolarHBondContact N-OG 3.17Å; V405-S408 PolarHBondContact O-OG 3.31Å; V405-S408 VanDerWaalsContact O-OG 3.06Å; G406-S408 VanDerWaalsContact C-N 3.27Å; G406-S408 PolarHBondContact O-N 2.94Å
409G98.7Very high97.9Very high3 Ų334.5 Ų34.53%0.03122%0.218CC..EExtended strand (participates in β ladder)trans147.8-177.8173.400000116.1L209 G404 V405 G406 A407L209-G409 CarbonylContact O-C 3.43Å; L209-G409 WeakPolarHBondContact O-CA 3.35Å; G404-G409 CarbonylContact C-O 3.51Å; V405-G409 CarbonylContact C-O 3.56Å; V405-G409 WeakPolarHBondContact CA-O 3.36Å; V405-G409 PolarHBondContact N-O 3.33Å; G406-G409 PolarHBondContact N-O 3.25Å; G406-G409 PolarHBondContact O-N 2.84Å; A407-G409 VanDerWaalsContact C-N 3.3Å
410M98.8Very high98.1Very high76 Ų7632 Ų3237%0.37420%0.197SC..EExtended strand (participates in β ladder)trans-151.1148.6169.966.317869.500110.3M197 V207 T208 L209M197-M410 HydrophobicContact CE-CE 3.81Å; M197-M410 HydrophobicContact CE-SD 4.14Å; M197-M410 HydrophobicContact SD-CE 3.8Å; M197-M410 HydrophobicContact SD-SD 4.43Å; V207-M410 HydrophobicContact CG2-SD 4.03Å; T208-M410 WeakPolarHBondContact CA-O 3.28Å; L209-M410 HydrophobicContact CB-CG 4.2Å; L209-M410 HydrophobicContact CD1-CE 4.29Å; L209-M410 HydrophobicContact CD1-CG 4.25Å; L209-M410 HydrophobicContact CD1-SD 4.39Å; L209-M410 HydrophobicContact CG-CG 4.17Å; L209-M410 PolarHBondContact N-O 3.35Å; L209-M410 PolarHBondContact O-N 3.23Å
411G98.4Very high98.3Very high40 Ų4029.2 Ų29.241%0.41218%0.183SC..  trans86179.3-169.300000111.2
412Q98.1Very high98.4Very high85 Ų8526.5 Ų26.540%0.39717%0.166SC..  trans-158.8158.4-179.159.9-166.6-1500110.1P401 F402 F417 T421P401-Q412 HydrophobicContact CB-CB 3.95Å; P401-Q412 HydrophobicContact CB-CG 4.09Å; F402-Q412 CarbonylContact O-C 3.53Å; F402-Q412 WeakPolarHBondContact O-CA 3.23Å; Q412-F417 HydrophobicContact CG-CB 4.47Å; Q412-T421 PolarHBondContact O-OG1 2.95Å
413Y98.6Very high98.4Very high1 Ų126.1 Ų26.10%0.00417%0.165CC..BIsolated β-bridgetrans-150.9-161.917678.1-62.8000111.1V123 P124 F185 E210 F402V123-Y413 HydrophobicContact CB-CE2 4.01Å; V123-Y413 HydrophobicContact CG1-CD2 3.82Å; V123-Y413 HydrophobicContact CG1-CE2 3.48Å; V123-Y413 VanDerWaalsContact CG1-CE2 3.48Å; P124-Y413 HydrophobicContact CB-CD2 4.42Å; F185-Y413 AromaticContact CE2-CD1 3.97Å; F185-Y413 HydrophobicContact CE2-CD1 3.97Å; F185-Y413 HydrophobicContact CE2-CD2 4.21Å; F185-Y413 HydrophobicContact CE2-CE1 4.5Å; F185-Y413 AromaticContact CE2-CG 3.84Å; F185-Y413 HydrophobicContact CE2-CG 3.84Å; F185-Y413 AromaticContact CZ-CD1 3.71Å; F185-Y413 HydrophobicContact CZ-CD1 3.71Å; F185-Y413 AromaticContact CZ-CD2 3.94Å; F185-Y413 HydrophobicContact CZ-CD2 3.94Å; F185-Y413 AromaticContact CZ-CE1 3.78Å; F185-Y413 HydrophobicContact CZ-CE1 3.78Å; F185-Y413 HydrophobicContact CZ-CE2 4.06Å; F185-Y413 AromaticContact CZ-CG 3.82Å; F185-Y413 HydrophobicContact CZ-CG 3.82Å; E210-Y413 HydrophobicContact CG-CD1 4.14Å; E210-Y413 HydrophobicContact CG-CE1 3.76Å; E210-Y413 WeakPolarHBondContact OE1-CD1 3.42Å; F402-Y413 AromaticContact CD1-CD1 3.97Å; F402-Y413 HydrophobicContact CD1-CD1 3.97Å; F402-Y413 AromaticContact CD1-CE1 3.3Å; F402-Y413 HydrophobicContact CD1-CE1 3.3Å; F402-Y413 AromaticContact CE1-CE1 3.83Å; F402-Y413 HydrophobicContact CE1-CE1 3.83Å; F402-Y413 HydrophobicContact CG-CE1 4.37Å; F402-Y413 PolarHBondContact N-O 3.03Å; F402-Y413 WeakPolarHBondContact O-CD1 3.47Å; F402-Y413 PolarHBondContact O-N 2.9Å
414H97.7Very high98.5Very high7 Ų730 Ų303%0.03218%0.18CC..SBendtrans84.2140.1-164.6-63.1-167000113.7F402 K416 F417 S418F402-H414 AromaticContact CG-CE1 3.91Å; F402-H414 AromaticContact CG-NE2 3.94Å; H414-K416 PolarHBondContact O-N 2.77Å; H414-F417 WeakPolarHBondContact O-CA 3.36Å; H414-F417 VanDerWaalsContact O-CB 3.27Å; H414-F417 WeakPolarHBondContact O-CB 3.36Å; H414-F417 WeakPolarHBondContact O-CD2 3.39Å; H414-F417 PolarHBondContact O-N 3.19Å; H414-S418 WeakPolarHBondContact CA-OG 3.49Å; H414-S418 PolarHBondContact N-OG 3.07Å; H414-S418 PolarHBondContact O-N 3.43Å; H414-S418 VanDerWaalsContact O-N 3.12Å
415G97.7Very high98.5Very high2 Ų233.1 Ų33.12%0.02119%0.192CC..Hα-helixtrans44.7-121.717800000114.3E70 F417 S418 F419E70-G415 PolarHBondContact OE1-N 3.45Å; E70-G415 VanDerWaalsContact OE1-N 3.11Å; E70-G415 PolarHBondContact OE2-N 3.46Å; G415-F417 VanDerWaalsContact C-N 3.28Å; G415-F417 PolarHBondContact O-N 3.34Å; G415-S418 PolarHBondContact O-N 2.99Å; G415-F419 PolarHBondContact O-N 3.39Å
416K98.3Very high98.5Very high64 Ų6436.7 Ų36.728%0.27820%0.2SC..Hα-helixtrans-63-34178.5175.862.8162.264.80112.1W81 H414 S418 F419 D420W81-K416 HydrophobicContact CB-CD 4.33Å; W81-K416 VanDerWaalsContact CD1-CD 3.47Å; W81-K416 HydrophobicContact CD2-CD 3.99Å; W81-K416 HydrophobicContact CG-CD 3.7Å; W81-K416 HydrophobicContact CZ2-CB 4.11Å; H414-K416 PolarHBondContact O-N 2.77Å; K416-S418 VanDerWaalsContact C-N 3.34Å; K416-F419 WeakPolarHBondContact O-CB 3.25Å; K416-F419 PolarHBondContact O-N 2.91Å; K416-D420 IonicContact NZ-OD1 3.69Å; K416-D420 PolarHBondContact NZ-OD1 3.01Å; K416-D420 IonicContact NZ-OD2 3Å; K416-D420 PolarHBondContact NZ-OD2 3.07Å; K416-D420 PolarHBondContact O-N 3.01Å
417F98.7Very high98.5Very high51 Ų5138.5 Ų38.522%0.22421%0.21CC..Hα-helixtrans-67.6-35.4179.5-54.2-79.9000111.4P401 Q412 H414 G415 D420 T421P401-F417 HydrophobicContact CB-CD1 3.92Å; P401-F417 HydrophobicContact CB-CD2 3.97Å; P401-F417 HydrophobicContact CB-CE1 4Å; P401-F417 HydrophobicContact CB-CE2 4.07Å; P401-F417 HydrophobicContact CB-CG 3.9Å; P401-F417 HydrophobicContact CB-CZ 4.08Å; P401-F417 HydrophobicContact CG-CE1 4.26Å; P401-F417 HydrophobicContact CG-CE2 4.44Å; P401-F417 HydrophobicContact CG-CZ 4.15Å; Q412-F417 HydrophobicContact CG-CB 4.47Å; H414-F417 WeakPolarHBondContact O-CA 3.36Å; H414-F417 VanDerWaalsContact O-CB 3.27Å; H414-F417 WeakPolarHBondContact O-CB 3.36Å; H414-F417 WeakPolarHBondContact O-CD2 3.39Å; H414-F417 PolarHBondContact O-N 3.19Å; G415-F417 VanDerWaalsContact C-N 3.28Å; G415-F417 PolarHBondContact O-N 3.34Å; F417-D420 PolarHBondContact O-N 3.13Å; F417-T421 VanDerWaalsContact O-CB 3.25Å; F417-T421 WeakPolarHBondContact O-CB 3.36Å; F417-T421 PolarHBondContact O-N 3.33Å; F417-T421 PolarHBondContact O-OG1 3.11Å; F417-T421 VanDerWaalsContact O-OG1 3.13Å
418S98.8Very high98.5Very high1 Ų138 Ų381%0.00720%0.204CC..Hα-helixtrans-60.6-46.4170.6-57.10000111.4H414 G415 K416 D420 T421 F422H414-S418 WeakPolarHBondContact CA-OG 3.49Å; H414-S418 PolarHBondContact N-OG 3.07Å; H414-S418 PolarHBondContact O-N 3.43Å; H414-S418 VanDerWaalsContact O-N 3.12Å; G415-S418 PolarHBondContact O-N 2.99Å; K416-S418 VanDerWaalsContact C-N 3.34Å; S418-D420 VanDerWaalsContact C-N 3.34Å; S418-D420 PolarHBondContact O-N 3.15Å; S418-T421 PolarHBondContact O-N 3.17Å; S418-F422 WeakPolarHBondContact O-CD2 3.26Å; S418-F422 PolarHBondContact O-N 3.48Å
419F98.9Very high98.4Very high1 Ų142 Ų420%0.00423%0.225CC..Hα-helixtrans-59.3-44.9177.2173.9-85.3000111.7W81 M82 K102 A130 A131 G415 K416 F422 S423W81-F419 HydrophobicContact CB-CD1 3.89Å; W81-F419 HydrophobicContact CB-CD2 4.09Å; W81-F419 HydrophobicContact CB-CE1 3.87Å; W81-F419 HydrophobicContact CB-CE2 4.05Å; W81-F419 HydrophobicContact CB-CG 4.01Å; W81-F419 HydrophobicContact CB-CZ 3.96Å; W81-F419 HydrophobicContact CD2-CB 4.39Å; W81-F419 HydrophobicContact CD2-CG 4.44Å; W81-F419 HydrophobicContact CE3-CB 3.72Å; W81-F419 HydrophobicContact CE3-CD2 4.02Å; W81-F419 AromaticContact CE3-CG 3.94Å; W81-F419 HydrophobicContact CE3-CG 3.94Å; W81-F419 HydrophobicContact CZ3-CB 4.13Å; W81-F419 VanDerWaalsContact O-CE1 3.27Å; W81-F419 WeakPolarHBondContact O-CE1 3.33Å; W81-F419 WeakPolarHBondContact O-CZ 3.26Å; M82-F419 HydrophobicContact CG-CE2 4.08Å; M82-F419 HydrophobicContact CG-CZ 4.17Å; K102-F419 HydrophobicContact CB-CE1 3.96Å; K102-F419 HydrophobicContact CB-CZ 4.15Å; K102-F419 HydrophobicContact CG-CE1 4.09Å; A130-F419 HydrophobicContact CB-CD2 4.14Å; A130-F419 VanDerWaalsContact O-CE2 3.3Å; A130-F419 WeakPolarHBondContact O-CE2 3.24Å; A131-F419 HydrophobicContact CB-CD2 4.23Å; A131-F419 HydrophobicContact CB-CE2 4.47Å; G415-F419 PolarHBondContact O-N 3.39Å; K416-F419 WeakPolarHBondContact O-CB 3.25Å; K416-F419 PolarHBondContact O-N 2.91Å; F419-F422 PolarHBondContact O-N 2.87Å; F419-S423 VanDerWaalsContact O-CB 3.3Å; F419-S423 WeakPolarHBondContact O-CB 3.46Å; F419-S423 PolarHBondContact O-N 3.14Å; F419-S423 PolarHBondContact O-OG 3.35Å
420D98.8Very high98.2Very high37 Ų3746.8 Ų46.820%0.19825%0.25CC..Hα-helixtrans-66.9-42.2179.6-68.1-19.1000111.6K416 F417 S418 F422 S423 H425K416-D420 IonicContact NZ-OD1 3.69Å; K416-D420 PolarHBondContact NZ-OD1 3.01Å; K416-D420 IonicContact NZ-OD2 3Å; K416-D420 PolarHBondContact NZ-OD2 3.07Å; K416-D420 PolarHBondContact O-N 3.01Å; F417-D420 PolarHBondContact O-N 3.13Å; S418-D420 VanDerWaalsContact C-N 3.34Å; S418-D420 PolarHBondContact O-N 3.15Å; D420-F422 VanDerWaalsContact C-N 3.26Å; D420-F422 PolarHBondContact O-N 3.32Å; D420-S423 PolarHBondContact O-N 3.42Å; D420-H425 IonicContact OD1-CE1 3.84Å; D420-H425 IonicContact OD1-NE2 2.76Å; D420-H425 PolarHBondContact OD1-NE2 2.99Å
421T98.9Very high97.8Very high20 Ų2048.3 Ų48.312%0.12325%0.251CS..Hα-helixtrans-57.5-38.9177.4-80.10000112.7F105 Y183 T208 Q412 F417 S418 S423F105-T421 WeakPolarHBondContact CE2-O 3.42Å; Y183-T421 HydrophobicContact CE1-CG2 4.02Å; Y183-T421 WeakPolarHBondContact CE2-O 3.34Å; T208-T421 WeakPolarHBondContact OG1-CG2 3.32Å; Q412-T421 PolarHBondContact O-OG1 2.95Å; F417-T421 VanDerWaalsContact O-CB 3.25Å; F417-T421 WeakPolarHBondContact O-CB 3.36Å; F417-T421 PolarHBondContact O-N 3.33Å; F417-T421 PolarHBondContact O-OG1 3.11Å; F417-T421 VanDerWaalsContact O-OG1 3.13Å; S418-T421 PolarHBondContact O-N 3.17Å; T421-S423 VanDerWaalsContact C-N 3.33Å
422F98.9Very high97.1Very high0 Ų054.4 Ų54.40%026%0.262CS..THydrogen-bonded Turntrans-9414.8177.6-60.7-65.3000113.7F105 V108 P124 A128 A131 N133 Y183 F185 S418 F419 D420F105-F422 WeakPolarHBondContact CD2-O 3.27Å; V108-F422 HydrophobicContact CG1-CD1 3.8Å; V108-F422 HydrophobicContact CG1-CE1 3.57Å; V108-F422 HydrophobicContact CG2-CD1 4.12Å; P124-F422 HydrophobicContact CB-CE2 4.23Å; P124-F422 HydrophobicContact CB-CZ 4.11Å; P124-F422 WeakPolarHBondContact O-CE2 3.38Å; A128-F422 HydrophobicContact CB-CB 4.43Å; A128-F422 HydrophobicContact CB-CD1 4.18Å; A128-F422 HydrophobicContact CB-CD2 3.88Å; A128-F422 HydrophobicContact CB-CE1 4.39Å; A128-F422 HydrophobicContact CB-CE2 4.13Å; A128-F422 HydrophobicContact CB-CG 3.91Å; A128-F422 HydrophobicContact CB-CZ 4.37Å; A131-F422 HydrophobicContact CB-CB 3.74Å; A131-F422 WeakPolarHBondContact CB-O 3.48Å; N133-F422 PolarHBondContact ND2-O 2.95Å; Y183-F422 HydrophobicContact CD1-CD1 4.06Å; Y183-F422 AromaticContact CD1-CE1 3.97Å; Y183-F422 HydrophobicContact CD1-CE1 3.97Å; Y183-F422 HydrophobicContact CE1-CE1 4.36Å; Y183-F422 HydrophobicContact CG-CD1 4.35Å; F185-F422 HydrophobicContact CB-CE1 3.94Å; F185-F422 HydrophobicContact CB-CZ 3.89Å; F185-F422 HydrophobicContact CD2-CE1 4.19Å; F185-F422 HydrophobicContact CD2-CE2 4.43Å; F185-F422 AromaticContact CD2-CZ 3.57Å; F185-F422 HydrophobicContact CD2-CZ 3.57Å; F185-F422 HydrophobicContact CE2-CZ 4.39Å; F185-F422 HydrophobicContact CG-CE1 4.43Å; F185-F422 AromaticContact CG-CZ 3.93Å; F185-F422 HydrophobicContact CG-CZ 3.93Å; S418-F422 WeakPolarHBondContact O-CD2 3.26Å; S418-F422 PolarHBondContact O-N 3.48Å; F419-F422 PolarHBondContact O-N 2.87Å; D420-F422 VanDerWaalsContact C-N 3.26Å; D420-F422 PolarHBondContact O-N 3.32Å
423S98.9Very high96.3Very high6 Ų657.4 Ų57.44%0.04229%0.288CS..EExtended strand (participates in β ladder)trans-120.6136.8176.3-62.30000111.7E103 F105 A131 F419 D420 T421E103-S423 CarbonylContact O-C 3.42Å; E103-S423 WeakPolarHBondContact O-CA 3.09Å; F105-S423 VanDerWaalsContact CE2-C 3.45Å; A131-S423 WeakPolarHBondContact CB-OG 3.42Å; F419-S423 VanDerWaalsContact O-CB 3.3Å; F419-S423 WeakPolarHBondContact O-CB 3.46Å; F419-S423 PolarHBondContact O-N 3.14Å; F419-S423 PolarHBondContact O-OG 3.35Å; D420-S423 PolarHBondContact O-N 3.42Å; T421-S423 VanDerWaalsContact C-N 3.33Å
424H98.6Very high95.5Very high93 Ų9359.4 Ų59.443%0.43131%0.31SS..EExtended strand (participates in β ladder)trans-80.9124.6162.7175.9-119.6000110.1E103 F105 R426E103-H424 PolarHBondContact N-O 3.18Å; E103-H424 PolarHBondContact O-N 2.99Å; F105-H424 HydrophobicContact CE1-CB 4.18Å; F105-H424 HydrophobicContact CZ-CB 4.25Å; H424-R426 PolarHBondContact O-N 3.14Å
425H98.5Very high94.7Very high76 Ų7663.5 Ų63.535%0.35233%0.33SS..EExtended strand (participates in β ladder)trans-88.286.1177.4-75.5-141.7000109.9I100 R101 D420 A427I100-H425 HydrophobicContact CG2-CB 3.68Å; R101-H425 CarbonylContact O-C 3.6Å; D420-H425 IonicContact OD1-CE1 3.84Å; D420-H425 IonicContact OD1-NE2 2.76Å; D420-H425 PolarHBondContact OD1-NE2 2.99Å; H425-A427 PolarHBondContact O-N 3.34Å
426R98.4Very high94.2Very high123 Ų12368.5 Ų68.546%0.46435%0.353SS..EExtended strand (participates in β ladder)trans-77116.2-177.1-175.5179179.7172.93.7111.5I100 R101 E103 H424 C428I100-R426 WeakPolarHBondContact CA-O 3.36Å; R101-R426 HydrophobicContact CB-CB 4.44Å; R101-R426 PolarHBondContact N-O 3.28Å; R101-R426 PolarHBondContact O-N 2.78Å; E103-R426 VanDerWaalsContact OE1-CD 3.3Å; E103-R426 WeakPolarHBondContact OE1-CD 3.46Å; E103-R426 IonicContact OE1-NH1 2.8Å; E103-R426 PolarHBondContact OE1-NH1 2.78Å; E103-R426 VanDerWaalsContact OE1-NH1 3.14Å; E103-R426 WeakPolarHBondContact OE2-CD 3.36Å; E103-R426 IonicContact OE2-NH1 3.9Å; E103-R426 PolarHBondContact OE2-NH1 3.41Å; H424-R426 PolarHBondContact O-N 3.14Å; R426-C428 PolarHBondContact O-N 2.93Å
427A98.1Very high93.6Very high89 Ų8975 Ų7574%0.73638%0.381SS*.EExtended strand (participates in β ladder)trans-70.7125.7171.100000111H425H425-A427 PolarHBondContact O-N 3.34Å
428C98.1Very high92.9Very high24 Ų2477.2 Ų77.216%0.16240%0.395CS..EExtended strand (participates in β ladder)trans-123.9128.3-178.9-67.30000110.1A98 F99 R426A98-C428 WeakPolarHBondContact CA-O 3.33Å; F99-C428 HydrophobicContact CD1-CB 4.2Å; F99-C428 HydrophobicContact CD2-CB 3.81Å; F99-C428 HydrophobicContact CE1-CB 3.89Å; F99-C428 HydrophobicContact CE2-CB 3.47Å; F99-C428 VanDerWaalsContact CE2-CB 3.47Å; F99-C428 HydrophobicContact CG-CB 4.17Å; F99-C428 HydrophobicContact CZ-CB 3.51Å; F99-C428 PolarHBondContact N-O 3.48Å; F99-C428 WeakPolarHBondContact O-CB 3.13Å; F99-C428 PolarHBondContact O-N 3Å; R426-C428 PolarHBondContact O-N 2.93Å
429L96.4Very high92.3Very high84 Ų8478 Ų7844%0.4440%0.399SS..EExtended strand (participates in β ladder)trans-124.9108.5170.1-177.571.1000108.9T93 D96 S97 A98 R431T93-L429 HydrophobicContact CG2-CD1 4.26Å; T93-L429 HydrophobicContact CG2-CD2 4.12Å; D96-L429 HydrophobicContact CB-CD1 3.62Å; D96-L429 HydrophobicContact CB-CG 4.34Å; S97-L429 CarbonylContact O-C 3.57Å; S97-L429 WeakPolarHBondContact O-CA 3.42Å; A98-L429 HydrophobicContact CB-CD1 3.93Å; L429-R431 HydrophobicContact CD2-CG 4.19Å; L429-R431 HydrophobicContact CG-CG 4.17Å
430L95.4Very high91.8Very high103 Ų10380 Ų8054%0.53942%0.415SS..EExtended strand (participates in β ladder)trans-97.8107.4176.1-53.1-177.2000109S97 F99S97-L430 PolarHBondContact N-O 3.4Å; S97-L430 PolarHBondContact O-N 3.22Å; F99-L430 HydrophobicContact CE1-CD1 3.73Å; F99-L430 HydrophobicContact CE1-CG 3.88Å; F99-L430 HydrophobicContact CZ-CD1 4.04Å; F99-L430 HydrophobicContact CZ-CG 4.32Å
431R90.3Very high91.3Very high107 Ų10781.3 Ų81.340%0.40442%0.422SS..  trans-86.7146.2177-55.6-165.468.4-175.3-11110.7D96 L429 N439 R442D96-R431 HydrophobicContact CB-CG 4.45Å; D96-R431 WeakPolarHBondContact OD1-CA 3.43Å; D96-R431 IonicContact OD1-NE 4Å; D96-R431 IonicContact OD2-NE 2.71Å; D96-R431 PolarHBondContact OD2-NE 2.76Å; L429-R431 HydrophobicContact CD2-CG 4.19Å; L429-R431 HydrophobicContact CG-CG 4.17Å; R431-N439 PolarHBondContact NH2-OD1 3.46Å; R431-R442 VanDerWaalsContact NH1-NH1 3.19Å
432R83.3Confident90.8Very high169 Ų16985.9 Ų85.964%0.63844%0.437SS*.  trans-69.6138.9173.1-63.3-175.1-177.7-149.3-4.2109.3L95 G434L95-R432 PolarHBondContact O-NE 3.36Å; R432-G434 PolarHBondContact O-N 3.05Å
433P80.1Confident90.6Very high147 Ų14789.7 Ų89.796%0.95545%0.452SS*.SBendtrans-64.3-1.6179.4-21.231.6000115.9
434G82.3Confident90.4Very high44 Ų4494 Ų9445%0.45448%0.479SS..  trans-110-164.2-177.900000113.3R432 E436R432-G434 PolarHBondContact O-N 3.05Å; G434-E436 VanDerWaalsContact C-N 3.29Å; G434-E436 PolarHBondContact O-N 3.26Å
435M80.8Confident90.1Very high93 Ų9394.4 Ų94.446%0.45849%0.49SS..  trans65.126176.2-46.6-178.376.600114.9L95 K437 L438L95-M435 HydrophobicContact CD1-CE 3.18Å; L95-M435 HydrophobicContact CD1-SD 3.49Å; L95-M435 WeakPolarHBondContact CD1-SD 3.35Å; M435-K437 PolarHBondContact O-N 3.46Å; M435-K437 VanDerWaalsContact O-N 3.08Å; M435-L438 HydrophobicContact CB-CD1 4.08Å; M435-L438 HydrophobicContact CB-CG 4.31Å; M435-L438 HydrophobicContact CE-CD1 3.24Å; M435-L438 HydrophobicContact CE-CG 4.3Å; M435-L438 WeakPolarHBondContact O-CB 3.36Å; M435-L438 PolarHBondContact O-N 2.95Å; M435-L438 HydrophobicContact SD-CD1 4.35Å
436E88Confident89.9Confident107 Ų10797.7 Ų97.750%0.551%0.506SS..Hα-helixtrans-57.8-28.8-178-172.759.9-173.200113.5G434 L438 N439 A440 Y443G434-E436 VanDerWaalsContact C-N 3.29Å; G434-E436 PolarHBondContact O-N 3.26Å; E436-L438 PolarHBondContact O-N 3.25Å; E436-N439 WeakPolarHBondContact O-CB 3.47Å; E436-N439 PolarHBondContact O-N 3.25Å; E436-N439 PolarHBondContact OE2-ND2 3.19Å; E436-A440 PolarHBondContact O-N 3.49Å; E436-Y443 WeakPolarHBondContact OE1-CE2 3.43Å; E436-Y443 PolarHBondContact OE1-OH 3.25Å; E436-Y443 PolarHBondContact OE2-OH 2.98Å
437K84.9Confident89.8Confident200 Ų20093.9 Ų93.987%0.8750%0.498SS*.Hα-helixtrans-58.5-31.5172.6-68-173.9178.9-179.40113.1M435 N439 A440M435-K437 PolarHBondContact O-N 3.46Å; M435-K437 VanDerWaalsContact O-N 3.08Å; K437-N439 VanDerWaalsContact C-N 3.31Å; K437-A440 VanDerWaalsContact O-CB 3.25Å; K437-A440 WeakPolarHBondContact O-CB 3.35Å; K437-A440 PolarHBondContact O-N 3.16Å
438L84.3Confident89.6Confident98 Ų9895.1 Ų95.151%0.51350%0.498SS..Hα-helixtrans-69.2-32174.7-64.4-175.5000111.8M435 E436 A440 L441M435-L438 HydrophobicContact CB-CD1 4.08Å; M435-L438 HydrophobicContact CB-CG 4.31Å; M435-L438 HydrophobicContact CE-CD1 3.24Å; M435-L438 HydrophobicContact CE-CG 4.3Å; M435-L438 WeakPolarHBondContact O-CB 3.36Å; M435-L438 PolarHBondContact O-N 2.95Å; M435-L438 HydrophobicContact SD-CD1 4.35Å; E436-L438 PolarHBondContact O-N 3.25Å; L438-A440 PolarHBondContact O-N 3.49Å; L438-L441 PolarHBondContact O-N 3.44Å
439N87.1Confident89.4Confident18 Ų18104 Ų10410%0.09653%0.529CS..Hα-helixtrans-70.3-16.8177-66.4-38.4000112.5R431 E436 K437 L441 R442 Y443R431-N439 PolarHBondContact NH2-OD1 3.46Å; E436-N439 WeakPolarHBondContact O-CB 3.47Å; E436-N439 PolarHBondContact O-N 3.25Å; E436-N439 PolarHBondContact OE2-ND2 3.19Å; K437-N439 VanDerWaalsContact C-N 3.31Å; N439-L441 PolarHBondContact O-N 3.42Å; N439-R442 HydrophobicContact CB-CG 4.42Å; N439-R442 WeakPolarHBondContact O-CG 3.41Å; N439-R442 PolarHBondContact O-N 3.02Å; N439-R442 PolarHBondContact OD1-NE 3.32Å; N439-R442 PolarHBondContact OD1-NH2 2.95Å; N439-Y443 HydrophobicContact CB-CD2 4.28Å; N439-Y443 HydrophobicContact CB-CE1 4.15Å; N439-Y443 HydrophobicContact CB-CE2 3.48Å; N439-Y443 VanDerWaalsContact CB-CE2 3.48Å; N439-Y443 VanDerWaalsContact CB-CZ 3.4Å; N439-Y443 WeakPolarHBondContact CB-OH 3.39Å; N439-Y443 WeakPolarHBondContact O-CD2 3.04Å; N439-Y443 PolarHBondContact O-N 3.07Å; N439-Y443 VanDerWaalsContact O-N 3.16Å
440A88.4Confident89.2Confident42 Ų42103.9 Ų103.935%0.34752%0.522SS..THydrogen-bonded Turntrans-57.4-23.5173.100000113.2E436 K437 L438 R442 Y443 R450E436-A440 PolarHBondContact O-N 3.49Å; K437-A440 VanDerWaalsContact O-CB 3.25Å; K437-A440 WeakPolarHBondContact O-CB 3.35Å; K437-A440 PolarHBondContact O-N 3.16Å; L438-A440 PolarHBondContact O-N 3.49Å; A440-R442 VanDerWaalsContact C-N 3.32Å; A440-R442 PolarHBondContact O-N 3.32Å; A440-Y443 PolarHBondContact O-N 3.33Å; A440-R450 PolarHBondContact O-NH1 2.98Å
441L87.2Confident89Confident65 Ų65103.8 Ų103.834%0.3452%0.522SS..THydrogen-bonded Turntrans-63.9-35.1173.8-69.7171.3000112.6L438 N439 R450 V453 L454L438-L441 PolarHBondContact O-N 3.44Å; N439-L441 PolarHBondContact O-N 3.42Å; L441-R450 HydrophobicContact CD2-CG 4.23Å; L441-V453 HydrophobicContact CD1-CG1 3.9Å; L441-V453 HydrophobicContact CD2-CG1 4.45Å; L441-L454 HydrophobicContact CB-CD2 4.18Å; L441-L454 WeakPolarHBondContact O-CD1 3.25Å
442R89.6Confident89.2Confident115 Ų115107.7 Ų107.743%0.43454%0.537SS..THydrogen-bonded Turntrans-92.9-14.8177.961.7170.7-173.2169.95.9114.1R431 N439 A440 L454R431-R442 VanDerWaalsContact NH1-NH1 3.19Å; N439-R442 HydrophobicContact CB-CG 4.42Å; N439-R442 WeakPolarHBondContact O-CG 3.41Å; N439-R442 PolarHBondContact O-N 3.02Å; N439-R442 PolarHBondContact OD1-NE 3.32Å; N439-R442 PolarHBondContact OD1-NH2 2.95Å; A440-R442 VanDerWaalsContact C-N 3.32Å; A440-R442 PolarHBondContact O-N 3.32Å; R442-L454 HydrophobicContact CB-CD1 4.05Å; R442-L454 HydrophobicContact CB-CD2 4.06Å
443Y93.6Very high89.5Confident80 Ų80102.8 Ų102.831%0.31453%0.525SS..SBendtrans-80.9150.3178.8-59.5-31000112.9E436 N439 A440 R450E436-Y443 WeakPolarHBondContact OE1-CE2 3.43Å; E436-Y443 PolarHBondContact OE1-OH 3.25Å; E436-Y443 PolarHBondContact OE2-OH 2.98Å; N439-Y443 HydrophobicContact CB-CD2 4.28Å; N439-Y443 HydrophobicContact CB-CE1 4.15Å; N439-Y443 HydrophobicContact CB-CE2 3.48Å; N439-Y443 VanDerWaalsContact CB-CE2 3.48Å; N439-Y443 VanDerWaalsContact CB-CZ 3.4Å; N439-Y443 WeakPolarHBondContact CB-OH 3.39Å; N439-Y443 WeakPolarHBondContact O-CD2 3.04Å; N439-Y443 PolarHBondContact O-N 3.07Å; N439-Y443 VanDerWaalsContact O-N 3.16Å; A440-Y443 PolarHBondContact O-N 3.33Å; Y443-R450 PolarHBondContact O-NH1 2.95Å
444P94.4Very high90Very high96 Ų9698 Ų9862%0.62349%0.491SS*.SBendtrans-57153.5167.1-23.233.5000112.6
445P93.6Very high90.5Very high102 Ų102100.5 Ų100.566%0.66249%0.494SS*.SBendcis-74.6143.1-430.6-34.7000112.2R450P445-R450 PolarHBondContact O-NH1 3.26Å
446H93.6Very high90.9Very high145 Ų14599 Ų9967%0.67149%0.49SS*.PPolyproline II helixtrans-78.3150-179.3-54.9-52.7000111.5
447S95.6Very high91Very high44 Ų4494.9 Ų94.931%0.30847%0.474SS..  trans-145152.4172.263.10000110.7R449 R450 L451S447-R449 PolarHBondContact O-N 3.48Å; S447-R449 VanDerWaalsContact O-N 3.15Å; S447-R450 PolarHBondContact O-N 2.63Å; S447-R450 WeakPolarHBondContact OG-CG 3.05Å; S447-R450 PolarHBondContact OG-N 3.49Å; S447-L451 PolarHBondContact O-N 3.42Å
448P95.3Very high91.1Very high114 Ų11491.1 Ų91.174%0.7446%0.461SS*.Hα-helixtrans-54.7-34.1177.3-27.935.4000113.4R452P448-R452 PolarHBondContact O-N 2.77Å
449R92.9Very high91.2Very high212 Ų21291.9 Ų91.980%0.846%0.462SS*.Hα-helixtrans-65.8-46.4176.5-174.4178.6177.7-178.10.4112.1S447 R452 V453S447-R449 PolarHBondContact O-N 3.48Å; S447-R449 VanDerWaalsContact O-N 3.15Å; R449-R452 PolarHBondContact O-N 3.26Å; R449-V453 WeakPolarHBondContact O-CG2 3.33Å; R449-V453 PolarHBondContact O-N 2.9Å
450R92Very high90.5Very high81 Ų8195.7 Ų95.731%0.30650%0.496SS..Hα-helixtrans-63.5-42.5177.4-74-178.8-169.8-175.23111.2A440 L441 Y443 P445 S447 R452 V453 L454A440-R450 PolarHBondContact O-NH1 2.98Å; L441-R450 HydrophobicContact CD2-CG 4.23Å; Y443-R450 PolarHBondContact O-NH1 2.95Å; P445-R450 PolarHBondContact O-NH1 3.26Å; S447-R450 PolarHBondContact O-N 2.63Å; S447-R450 WeakPolarHBondContact OG-CG 3.05Å; S447-R450 PolarHBondContact OG-N 3.49Å; R450-R452 PolarHBondContact O-N 3.32Å; R450-V453 PolarHBondContact O-N 3.1Å; R450-L454 WeakPolarHBondContact O-CG 3.37Å; R450-L454 PolarHBondContact O-N 3.37Å
451L92.5Very high89.2Confident101 Ų101101.6 Ų101.653%0.52951%0.509SS..Hα-helixtrans-57.8-48176.3178.659.7000111.6S447 V453 L454 L455S447-L451 PolarHBondContact O-N 3.42Å; L451-V453 VanDerWaalsContact C-N 3.31Å; L451-V453 PolarHBondContact O-N 3.32Å; L451-L454 PolarHBondContact O-N 3.25Å; L451-L454 VanDerWaalsContact O-N 3.17Å; L451-L455 HydrophobicContact CD1-CD1 4.24Å; L451-L455 HydrophobicContact CD1-CG 4.14Å; L451-L455 HydrophobicContact CG-CD1 4.1Å; L451-L455 HydrophobicContact CG-CG 4.43Å; L451-L455 WeakPolarHBondContact O-CG 3.32Å; L451-L455 PolarHBondContact O-N 3.38Å
452R93.1Very high87.5Confident189 Ų189101.9 Ų101.971%0.71353%0.528SS*.Hα-helixtrans-57.3-43.2177.9-169.4-177.4-63.1-173.2-0.9112.4P448 R449 R450 L455 V456P448-R452 PolarHBondContact O-N 2.77Å; R449-R452 PolarHBondContact O-N 3.26Å; R450-R452 PolarHBondContact O-N 3.32Å; R452-L455 PolarHBondContact O-N 2.99Å; R452-V456 WeakPolarHBondContact O-CG2 3.49Å; R452-V456 PolarHBondContact O-N 3.04Å
453V90.9Very high85.2Confident66 Ų66101.4 Ų101.440%0.454%0.541SS..Hα-helixtrans-64.4-42.7178.1173.90000111.4L441 R449 R450 L451 V456 A457L441-V453 HydrophobicContact CD1-CG1 3.9Å; L441-V453 HydrophobicContact CD2-CG1 4.45Å; R449-V453 WeakPolarHBondContact O-CG2 3.33Å; R449-V453 PolarHBondContact O-N 2.9Å; R450-V453 PolarHBondContact O-N 3.1Å; L451-V453 VanDerWaalsContact C-N 3.31Å; L451-V453 PolarHBondContact O-N 3.32Å; V453-V456 PolarHBondContact O-N 3.06Å; V453-A457 WeakPolarHBondContact O-CB 3.47Å; V453-A457 PolarHBondContact O-N 2.74Å
454L90.4Very high82.6Confident46 Ų46102.6 Ų102.624%0.24156%0.562CS.*Hα-helixtrans-64.6-42.3177.9-70.1170.1000112.3L441 R442 R450 L451 V456 A457 M458L441-L454 HydrophobicContact CB-CD2 4.18Å; L441-L454 WeakPolarHBondContact O-CD1 3.25Å; R442-L454 HydrophobicContact CB-CD1 4.05Å; R442-L454 HydrophobicContact CB-CD2 4.06Å; R450-L454 WeakPolarHBondContact O-CG 3.37Å; R450-L454 PolarHBondContact O-N 3.37Å; L451-L454 PolarHBondContact O-N 3.25Å; L451-L454 VanDerWaalsContact O-N 3.17Å; L454-V456 PolarHBondContact O-N 3.27Å; L454-A457 CarbonylContact O-C 3.59Å; L454-A457 PolarHBondContact O-N 3.31Å; L454-A457 VanDerWaalsContact O-N 3.11Å; L454-M458 WeakPolarHBondContact O-CB 3.33Å; L454-M458 VanDerWaalsContact O-CG 3.26Å; L454-M458 WeakPolarHBondContact O-CG 3.32Å; L454-M458 PolarHBondContact O-N 2.99Å
455L91.4Very high79.9Confident97 Ų97103.4 Ų103.451%0.50857%0.568SS.*Hα-helixtrans-58.9-48.6177.7-69.5173.7000110.9L451 R452 A457 M458 E459L451-L455 HydrophobicContact CD1-CD1 4.24Å; L451-L455 HydrophobicContact CD1-CG 4.14Å; L451-L455 HydrophobicContact CG-CD1 4.1Å; L451-L455 HydrophobicContact CG-CG 4.43Å; L451-L455 WeakPolarHBondContact O-CG 3.32Å; L451-L455 PolarHBondContact O-N 3.38Å; R452-L455 PolarHBondContact O-N 2.99Å; L455-A457 VanDerWaalsContact C-N 3.27Å; L455-A457 PolarHBondContact O-N 2.96Å; L455-M458 PolarHBondContact O-N 2.75Å; L455-M458 VanDerWaalsContact O-N 3.14Å; L455-E459 WeakPolarHBondContact O-CG 3.33Å; L455-E459 PolarHBondContact O-N 2.81Å
456V91.1Very high77Confident62 Ų62105.5 Ų105.538%0.37658%0.579SS.*Hα-helixtrans-61.7-35.4175.4173.90000112.1R452 V453 L454 M458R452-V456 WeakPolarHBondContact O-CG2 3.49Å; R452-V456 PolarHBondContact O-N 3.04Å; V453-V456 PolarHBondContact O-N 3.06Å; L454-V456 PolarHBondContact O-N 3.27Å; V456-M458 VanDerWaalsContact C-N 3.34Å
457A88.6Confident74.2Confident20 Ų20105.9 Ų105.917%0.16559%0.585CS.*Hα-helixtrans-73.4-27.9178.500000113.1L91 A92 V453 L454 L455L91-A457 HydrophobicContact CB-CB 4.32Å; L91-A457 PolarHBondContact N-O 3.21Å; A92-A457 HydrophobicContact CB-CB 4.09Å; A92-A457 PolarHBondContact N-O 3.08Å; V453-A457 WeakPolarHBondContact O-CB 3.47Å; V453-A457 PolarHBondContact O-N 2.74Å; L454-A457 CarbonylContact O-C 3.59Å; L454-A457 PolarHBondContact O-N 3.31Å; L454-A457 VanDerWaalsContact O-N 3.11Å; L455-A457 VanDerWaalsContact C-N 3.27Å; L455-A457 PolarHBondContact O-N 2.96Å
458M87.4Confident71.3Confident120 Ų120115.2 Ų115.259%0.59163%0.631SS**Hα-helixtrans-88.7-20.4-179.8-71.817765.300113.4N90 A92 L454 L455 V456 A460N90-M458 PolarHBondContact ND2-O 2.97Å; A92-M458 HydrophobicContact CB-CG 4.46Å; L454-M458 WeakPolarHBondContact O-CB 3.33Å; L454-M458 VanDerWaalsContact O-CG 3.26Å; L454-M458 WeakPolarHBondContact O-CG 3.32Å; L454-M458 PolarHBondContact O-N 2.99Å; L455-M458 PolarHBondContact O-N 2.75Å; L455-M458 VanDerWaalsContact O-N 3.14Å; V456-M458 VanDerWaalsContact C-N 3.34Å; M458-A460 PolarHBondContact O-N 3.25Å
459E87.1Confident70.1Confident114 Ų114115.3 Ų115.353%0.53363%0.625SS.*SBendtrans-50.9130174.9-85.3170.8-167.700111.3L455 R461L455-E459 WeakPolarHBondContact O-CG 3.33Å; L455-E459 PolarHBondContact O-N 2.81Å; E459-R461 PolarHBondContact O-N 2.86Å
460A71.3Confident68.9Low99 Ų99110.2 Ų110.282%0.81862%0.616SS**  trans-66.8102.7172.200000108.1M458 G462M458-A460 PolarHBondContact O-N 3.25Å; A460-G462 PolarHBondContact O-N 3.36Å
461R62.4Low67.6Low165 Ų165111.8 Ų111.862%0.62363%0.633SS**  trans-72.7110.7166.9-70.5-171.3174.2-162.4-5.8106.8E459 C463E459-R461 PolarHBondContact O-N 2.86Å; R461-C463 PolarHBondContact O-N 3.24Å; R461-C463 VanDerWaalsContact O-N 3.14Å
462G49.9Very low66.2Low72 Ų72112.5 Ų112.574%0.74264%0.639SS**  trans-50.4122.1177.400000110A460 S464A460-G462 PolarHBondContact O-N 3.36Å; G462-S464 VanDerWaalsContact C-N 3.31Å; G462-S464 PolarHBondContact O-N 2.96Å
463C41.4Very low64.5Low104 Ų104107.7 Ų107.770%0.70364%0.635SS**  trans-62.3103157.5-95.60000106.3R461 C465R461-C463 PolarHBondContact O-N 3.24Å; R461-C463 VanDerWaalsContact O-N 3.14Å; C463-C465 PolarHBondContact O-N 2.8Å
464S40.4Very low62.7Low106 Ų106110.5 Ų110.574%0.74165%0.65SS**  trans-58.5123.4162.949.40000109G462G462-S464 VanDerWaalsContact C-N 3.31Å; G462-S464 PolarHBondContact O-N 2.96Å
465C37.7Very low60.7Low112 Ų112115.1 Ų115.176%0.75768%0.68SS**  trans62.198.8160.7-61.10000117.9C463C463-C465 PolarHBondContact O-N 2.8Å
466T32.2Very low58.4Low146 Ų146116.5 Ų116.590%0.89669%0.693SS**  -106.9106.2127.5-5.40000106.1
467L35.3Very low55.6Low153 Ų153121 Ų12180%0.80172%0.719SS**  trans-60136.5165.6-91.7147.1000108.4
468L34.1Very low52.6Low241 Ų241130.2 Ų130.2100%1.26277%0.77SS**  trans-19.90173.1-75.2152.5000117.1

Retrieved 468 of 468 residues in 181.6 ms (Link to these results)

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