A0A3Q0KF34_SCHMA Loading...

non-specific serine/threonine protein kinase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KF34, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 496 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
1M35.9Very low74.7Confident235 Ų235106.2 Ų106.2100%1.15850%0.495SS*.  0141.10-65.8176.3177.400110
2P54.3Low75.9Confident54 Ų54113.6 Ų113.635%0.35152%0.517SS..  trans-62.7153.6165.329.7-35000110.4C4 M106 A109P2-C4 PolarHBondContact O-N 2.56Å; P2-M106 HydrophobicContact CB-CE 4.33Å; P2-M106 HydrophobicContact CG-CE 4.05Å; P2-M106 HydrophobicContact CG-SD 4.01Å; P2-A109 HydrophobicContact CG-CB 4.08Å
3K63.7Low77.1Confident175 Ų175105.7 Ų105.776%0.76148%0.482SS*.  trans-82.7100.6175.3-71.4174.7-177.7166.30108.7I5K3-I5 PolarHBondContact O-N 3.5Å
4C77Confident78.2Confident70 Ų70100.6 Ų100.647%0.47347%0.465SS..  trans-58.6133.6176.7-1710000111.1P2 K6 Y116P2-C4 PolarHBondContact O-N 2.56Å; C4-K6 PolarHBondContact O-N 2.81Å; C4-Y116 WeakPolarHBondContact CA-OH 3.36Å; C4-Y116 PolarHBondContact SG-OH 2.78Å
5I84.4Confident79.1Confident8 Ų8100.6 Ų100.64%0.04148%0.481CS..  trans-65.2108.7178.3-52.2173.5000109K3 M7 L84 D87 Y88 L91 L103 Y116 F149K3-I5 PolarHBondContact O-N 3.5Å; I5-M7 HydrophobicContact CG2-CE 3.44Å; I5-M7 VanDerWaalsContact CG2-CE 3.44Å; I5-L84 HydrophobicContact CB-CD1 4.31Å; I5-L84 HydrophobicContact CG1-CD1 4.01Å; I5-L84 HydrophobicContact CG2-CD1 4.15Å; I5-D87 HydrophobicContact CD1-CB 3.95Å; I5-Y88 HydrophobicContact CG2-CD2 4.12Å; I5-Y88 HydrophobicContact CG2-CE2 3.67Å; I5-L91 HydrophobicContact CG2-CD1 4.09Å; I5-L103 HydrophobicContact CB-CD2 4.29Å; I5-L103 HydrophobicContact CD1-CD2 4.46Å; I5-L103 HydrophobicContact CG2-CD2 4.23Å; I5-Y116 HydrophobicContact CD1-CE2 3.84Å; I5-Y116 HydrophobicContact CG1-CE2 4.23Å; I5-Y116 PolarHBondContact N-OH 2.69Å; I5-F149 HydrophobicContact CD1-CD2 4.17Å; I5-F149 HydrophobicContact CD1-CE1 4.32Å; I5-F149 HydrophobicContact CD1-CE2 3.75Å; I5-F149 HydrophobicContact CD1-CZ 3.83Å
6K81.5Confident80Confident132 Ų13297.9 Ų97.957%0.57447%0.467SS*.  trans-86.8120.6177.9-67.3-160169.6-151.60111.4C4 Y88C4-K6 PolarHBondContact O-N 2.81Å; K6-Y88 PolarHBondContact O-OH 3.33Å
7M86.2Confident80.8Confident38 Ų3892.2 Ų92.219%0.18744%0.44CS..SBendtrans-75.4-22.3179.8-73.4-65.4100.600114.1I5 R9 F10 L91 F95 L103I5-M7 HydrophobicContact CG2-CE 3.44Å; I5-M7 VanDerWaalsContact CG2-CE 3.44Å; M7-R9 VanDerWaalsContact C-N 3.26Å; M7-R9 PolarHBondContact O-N 3.44Å; M7-F10 HydrophobicContact CE-CB 4.34Å; M7-F10 HydrophobicContact CE-CD2 3.97Å; M7-F10 HydrophobicContact CE-CG 4.36Å; M7-F10 WeakPolarHBondContact O-CB 3.18Å; M7-F10 PolarHBondContact O-N 2.82Å; M7-F10 HydrophobicContact SD-CB 4.27Å; M7-F10 HydrophobicContact SD-CD2 4.35Å; M7-F10 HydrophobicContact SD-CG 4.27Å; M7-L91 HydrophobicContact CE-CD1 3.75Å; M7-F95 HydrophobicContact SD-CE2 4.22Å; M7-F95 HydrophobicContact SD-CZ 4.24Å; M7-L103 HydrophobicContact CE-CD2 3.92Å; M7-L103 HydrophobicContact CG-CB 4.06Å; M7-L103 HydrophobicContact SD-CB 3.99Å; M7-L103 HydrophobicContact SD-CD2 4.39Å
8D83.6Confident81.5Confident104 Ų10488.1 Ų88.156%0.55642%0.419SS*.THydrogen-bonded Turntrans-51.3-46.3179.8-21.2-47.4000111.9F10 Y12D8-F10 VanDerWaalsContact C-N 3.34Å; D8-F10 PolarHBondContact O-N 3.36Å; D8-Y12 WeakPolarHBondContact O-CD2 3.27Å; D8-Y12 VanDerWaalsContact O-CE2 3.31Å; D8-Y12 WeakPolarHBondContact O-CE2 3.36Å
9R82.5Confident82.2Confident108 Ų10890.6 Ų90.641%0.40842%0.424SS..THydrogen-bonded Turntrans-72.5-25.7-179-71167.2174.8-111.12.1113.3M7 R11 Y12 L62 N63M7-R9 VanDerWaalsContact C-N 3.26Å; M7-R9 PolarHBondContact O-N 3.44Å; R9-R11 VanDerWaalsContact C-N 3.33Å; R9-R11 PolarHBondContact O-N 3.34Å; R9-Y12 PolarHBondContact O-N 2.77Å; R9-L62 PolarHBondContact NH1-O 3.44Å; R9-L62 VanDerWaalsContact NH1-O 3.09Å; R9-N63 VanDerWaalsContact CD-OD1 3.27Å; R9-N63 WeakPolarHBondContact CD-OD1 3.45Å; R9-N63 WeakPolarHBondContact CG-OD1 3.35Å; R9-N63 PolarHBondContact NH1-OD1 3.2Å
10F87.2Confident82.8Confident23 Ų2386.1 Ų86.110%0.10140%0.403CS..G310 helixtrans-62.6-40.6-175.4-168.5-81.3000111.7M7 D8 Y12 I13 W18 Y88 L91 N92 F95M7-F10 HydrophobicContact CE-CB 4.34Å; M7-F10 HydrophobicContact CE-CD2 3.97Å; M7-F10 HydrophobicContact CE-CG 4.36Å; M7-F10 WeakPolarHBondContact O-CB 3.18Å; M7-F10 PolarHBondContact O-N 2.82Å; M7-F10 HydrophobicContact SD-CB 4.27Å; M7-F10 HydrophobicContact SD-CD2 4.35Å; M7-F10 HydrophobicContact SD-CG 4.27Å; D8-F10 VanDerWaalsContact C-N 3.34Å; D8-F10 PolarHBondContact O-N 3.36Å; F10-Y12 VanDerWaalsContact C-N 3.28Å; F10-Y12 PolarHBondContact O-N 3.29Å; F10-I13 PolarHBondContact O-N 2.73Å; F10-W18 HydrophobicContact CD1-CZ2 4.21Å; F10-W18 AromaticContact CD2-CH2 3.98Å; F10-W18 HydrophobicContact CD2-CH2 3.98Å; F10-W18 HydrophobicContact CD2-CZ2 4.14Å; F10-W18 HydrophobicContact CE1-CH2 4.38Å; F10-W18 AromaticContact CE1-CZ2 3.91Å; F10-W18 HydrophobicContact CE1-CZ2 3.91Å; F10-W18 AromaticContact CE2-CH2 3.49Å; F10-W18 HydrophobicContact CE2-CH2 3.49Å; F10-W18 VanDerWaalsContact CE2-CH2 3.49Å; F10-W18 AromaticContact CE2-CZ2 3.83Å; F10-W18 HydrophobicContact CE2-CZ2 3.83Å; F10-W18 HydrophobicContact CG-CZ2 4.31Å; F10-W18 AromaticContact CZ-CH2 3.72Å; F10-W18 HydrophobicContact CZ-CH2 3.72Å; F10-W18 AromaticContact CZ-CZ2 3.7Å; F10-W18 HydrophobicContact CZ-CZ2 3.7Å; F10-Y88 HydrophobicContact CB-CE1 4.08Å; F10-Y88 AromaticContact CD2-CD1 3.62Å; F10-Y88 HydrophobicContact CD2-CD1 3.62Å; F10-Y88 HydrophobicContact CD2-CD2 4.39Å; F10-Y88 AromaticContact CD2-CE1 3.77Å; F10-Y88 HydrophobicContact CD2-CE1 3.77Å; F10-Y88 AromaticContact CD2-CG 3.96Å; F10-Y88 HydrophobicContact CD2-CG 3.96Å; F10-Y88 HydrophobicContact CE2-CD1 4.18Å; F10-Y88 HydrophobicContact CE2-CG 4.25Å; F10-Y88 HydrophobicContact CG-CD1 4.49Å; F10-Y88 HydrophobicContact CG-CE1 4.33Å; F10-L91 HydrophobicContact CE2-CB 3.82Å; F10-L91 HydrophobicContact CZ-CB 4.16Å; F10-N92 HydrophobicContact CE2-CB 4.48Å; F10-N92 HydrophobicContact CZ-CB 3.86Å; F10-F95 HydrophobicContact CD1-CE2 4.49Å; F10-F95 AromaticContact CE1-CD2 3.64Å; F10-F95 HydrophobicContact CE1-CD2 3.64Å; F10-F95 AromaticContact CE1-CE2 3.89Å; F10-F95 HydrophobicContact CE1-CE2 3.89Å; F10-F95 HydrophobicContact CE2-CD2 4.45Å; F10-F95 HydrophobicContact CE2-CE2 4.25Å; F10-F95 AromaticContact CZ-CD2 3.56Å; F10-F95 HydrophobicContact CZ-CD2 3.56Å; F10-F95 AromaticContact CZ-CE2 3.75Å; F10-F95 HydrophobicContact CZ-CE2 3.75Å
11R85.4Confident83.4Confident221 Ų22182 Ų8283%0.83438%0.384SS*.G310 helixtrans-68-21.2-177.4-64.8-177.6176.5-180-1.7114.2R9R9-R11 VanDerWaalsContact C-N 3.33Å; R9-R11 PolarHBondContact O-N 3.34Å
12Y88.6Confident86.2Confident195 Ų19572.9 Ų72.977%0.76534%0.342SS*.G310 helixtrans-96.41.5-177-61-74.4000114.3D8 R9 F10 S14D8-Y12 WeakPolarHBondContact O-CD2 3.27Å; D8-Y12 VanDerWaalsContact O-CE2 3.31Å; D8-Y12 WeakPolarHBondContact O-CE2 3.36Å; R9-Y12 PolarHBondContact O-N 2.77Å; F10-Y12 VanDerWaalsContact C-N 3.28Å; F10-Y12 PolarHBondContact O-N 3.29Å; Y12-S14 PolarHBondContact O-N 3.35Å
13I91.3Very high88.1Confident11 Ų1170.4 Ų70.46%0.05633%0.326CS..  trans-80.6119.4179.1-61.9168.3000109.3F10 A17 W18 L65 Y88F10-I13 PolarHBondContact O-N 2.73Å; I13-A17 HydrophobicContact CG2-CB 3.73Å; I13-W18 HydrophobicContact CB-CD2 4.48Å; I13-W18 HydrophobicContact CB-CZ2 4.05Å; I13-W18 HydrophobicContact CD1-CH2 4.06Å; I13-W18 HydrophobicContact CD1-CZ2 3.82Å; I13-W18 HydrophobicContact CG2-CD2 3.76Å; I13-W18 HydrophobicContact CG2-CE3 4.47Å; I13-W18 HydrophobicContact CG2-CG 3.9Å; I13-W18 HydrophobicContact CG2-CZ2 4.16Å; I13-W18 PolarHBondContact O-NE1 3.49Å; I13-L65 HydrophobicContact CD1-CD1 3.59Å; I13-Y88 HydrophobicContact CD1-CD1 3.53Å; I13-Y88 HydrophobicContact CD1-CE1 3.56Å
14S93.1Very high89.5Confident35 Ų3562.1 Ų62.125%0.24529%0.29CS..  trans-64156.5-179.965.40000112.9Y12 E16 A17 W18 Q59Y12-S14 PolarHBondContact O-N 3.35Å; S14-E16 PolarHBondContact O-N 2.64Å; S14-A17 PolarHBondContact O-N 3.42Å; S14-A17 VanDerWaalsContact O-N 3.08Å; S14-A17 VanDerWaalsContact OG-CB 3.3Å; S14-A17 WeakPolarHBondContact OG-CB 3.5Å; S14-A17 PolarHBondContact OG-N 2.67Å; S14-W18 PolarHBondContact O-N 3.26Å; S14-Q59 VanDerWaalsContact CB-OE1 3.25Å; S14-Q59 PolarHBondContact OG-OE1 3.48Å
15S91.6Very high90.2Very high100 Ų10059.9 Ų59.970%0.69927%0.273SS*.Hα-helixtrans-56.1-35.9172.652.60000112.6R19S15-R19 WeakPolarHBondContact O-CB 3.44Å; S15-R19 PolarHBondContact O-N 2.89Å; S15-R19 VanDerWaalsContact O-N 3.08Å
16E93.1Very high90.5Very high58 Ų5864.2 Ų64.227%0.27129%0.294SS..Hα-helixtrans-67.3-43173.3-65.1-164.6109.500112.4S14 R19 A20 L45 R47 L55S14-E16 PolarHBondContact O-N 2.64Å; E16-R19 CarbonylContact O-C 3.59Å; E16-R19 WeakPolarHBondContact O-CB 3.17Å; E16-R19 PolarHBondContact O-N 3.41Å; E16-R19 VanDerWaalsContact O-N 3.14Å; E16-A20 PolarHBondContact O-N 3Å; E16-L45 HydrophobicContact CB-CD1 4.25Å; E16-L45 HydrophobicContact CB-CD2 3.99Å; E16-L45 HydrophobicContact CG-CD2 3.84Å; E16-R47 IonicContact OE1-NE 2.99Å; E16-R47 PolarHBondContact OE1-NE 3.42Å; E16-R47 IonicContact OE2-CZ 2.88Å; E16-R47 IonicContact OE2-NE 3.33Å; E16-R47 PolarHBondContact OE2-NE 2.78Å; E16-R47 IonicContact OE2-NH2 3.24Å; E16-R47 PolarHBondContact OE2-NH2 2.68Å; E16-L55 HydrophobicContact CB-CD1 3.71Å
17A93.8Very high90.9Very high0 Ų058.1 Ų58.10%027%0.268CS..Hα-helixtrans-65.9-37176.100000112.5I13 S14 R19 A20 L21 L55 Q59 L60I13-A17 HydrophobicContact CG2-CB 3.73Å; S14-A17 PolarHBondContact O-N 3.42Å; S14-A17 VanDerWaalsContact O-N 3.08Å; S14-A17 VanDerWaalsContact OG-CB 3.3Å; S14-A17 WeakPolarHBondContact OG-CB 3.5Å; S14-A17 PolarHBondContact OG-N 2.67Å; A17-R19 VanDerWaalsContact C-N 3.31Å; A17-R19 PolarHBondContact O-N 2.76Å; A17-A20 PolarHBondContact O-N 3.45Å; A17-L21 VanDerWaalsContact O-CB 3.32Å; A17-L21 WeakPolarHBondContact O-CB 3.18Å; A17-L21 PolarHBondContact O-N 2.91Å; A17-L55 HydrophobicContact CB-CD2 4.22Å; A17-L55 HydrophobicContact CB-CG 4.47Å; A17-Q59 HydrophobicContact CB-CB 3.83Å; A17-L60 HydrophobicContact CB-CD2 4.08Å; A17-L60 HydrophobicContact CB-CG 4.46Å
18W94.5Very high91Very high19 Ų1957.9 Ų57.97%0.07227%0.268CS..Hα-helixtrans-61-39.5169.4-76.1119.3000112.7F10 I13 S14 L21 T22 Y88 L89 N92F10-W18 HydrophobicContact CD1-CZ2 4.21Å; F10-W18 AromaticContact CD2-CH2 3.98Å; F10-W18 HydrophobicContact CD2-CH2 3.98Å; F10-W18 HydrophobicContact CD2-CZ2 4.14Å; F10-W18 HydrophobicContact CE1-CH2 4.38Å; F10-W18 AromaticContact CE1-CZ2 3.91Å; F10-W18 HydrophobicContact CE1-CZ2 3.91Å; F10-W18 AromaticContact CE2-CH2 3.49Å; F10-W18 HydrophobicContact CE2-CH2 3.49Å; F10-W18 VanDerWaalsContact CE2-CH2 3.49Å; F10-W18 AromaticContact CE2-CZ2 3.83Å; F10-W18 HydrophobicContact CE2-CZ2 3.83Å; F10-W18 HydrophobicContact CG-CZ2 4.31Å; F10-W18 AromaticContact CZ-CH2 3.72Å; F10-W18 HydrophobicContact CZ-CH2 3.72Å; F10-W18 AromaticContact CZ-CZ2 3.7Å; F10-W18 HydrophobicContact CZ-CZ2 3.7Å; I13-W18 HydrophobicContact CB-CD2 4.48Å; I13-W18 HydrophobicContact CB-CZ2 4.05Å; I13-W18 HydrophobicContact CD1-CH2 4.06Å; I13-W18 HydrophobicContact CD1-CZ2 3.82Å; I13-W18 HydrophobicContact CG2-CD2 3.76Å; I13-W18 HydrophobicContact CG2-CE3 4.47Å; I13-W18 HydrophobicContact CG2-CG 3.9Å; I13-W18 HydrophobicContact CG2-CZ2 4.16Å; I13-W18 PolarHBondContact O-NE1 3.49Å; S14-W18 PolarHBondContact O-N 3.26Å; W18-L21 HydrophobicContact CE3-CD2 3.91Å; W18-L21 HydrophobicContact CZ3-CD2 3.79Å; W18-L21 PolarHBondContact O-N 3.48Å; W18-T22 WeakPolarHBondContact O-CB 3Å; W18-T22 PolarHBondContact O-N 3.26Å; W18-T22 PolarHBondContact O-OG1 2.75Å; W18-Y88 AromaticContact CH2-CD1 3.82Å; W18-Y88 HydrophobicContact CH2-CD1 3.82Å; W18-Y88 HydrophobicContact CH2-CG 4.29Å; W18-Y88 WeakPolarHBondContact CH2-O 3.24Å; W18-Y88 WeakPolarHBondContact CZ3-O 3.1Å; W18-L89 HydrophobicContact CE3-CD2 4.34Å; W18-N92 HydrophobicContact CD2-CB 4.4Å; W18-N92 HydrophobicContact CE3-CB 4.02Å; W18-N92 HydrophobicContact CH2-CB 3.72Å; W18-N92 HydrophobicContact CZ2-CB 4.13Å; W18-N92 HydrophobicContact CZ3-CB 3.67Å
19R94Very high91Very high135 Ų13560.7 Ų60.751%0.50928%0.275SS..Hα-helixtrans-69.7-38.6177.3-167.7164.6178.6141.54.8111.9S15 E16 A17 A23 S43 L45S15-R19 WeakPolarHBondContact O-CB 3.44Å; S15-R19 PolarHBondContact O-N 2.89Å; S15-R19 VanDerWaalsContact O-N 3.08Å; E16-R19 CarbonylContact O-C 3.59Å; E16-R19 WeakPolarHBondContact O-CB 3.17Å; E16-R19 PolarHBondContact O-N 3.41Å; E16-R19 VanDerWaalsContact O-N 3.14Å; A17-R19 VanDerWaalsContact C-N 3.31Å; A17-R19 PolarHBondContact O-N 2.76Å; R19-A23 WeakPolarHBondContact O-CB 3.13Å; R19-A23 PolarHBondContact O-N 3.4Å; R19-S43 WeakPolarHBondContact CD-O 3.45Å; R19-S43 WeakPolarHBondContact CG-O 3.42Å; R19-S43 PolarHBondContact NE-O 3.04Å; R19-L45 HydrophobicContact CB-CD2 4.37Å; R19-L45 HydrophobicContact CG-CD2 4.34Å
20A94.7Very high91Very high0 Ų062.1 Ų62.10%029%0.29CS..Hα-helixtrans-64.9-43.317200000112.4E16 A17 T22 A23 I24 L45 F52 L55 V56 L60E16-A20 PolarHBondContact O-N 3Å; A17-A20 PolarHBondContact O-N 3.45Å; A20-T22 VanDerWaalsContact C-N 3.35Å; A20-T22 PolarHBondContact O-N 3.08Å; A20-A23 WeakPolarHBondContact O-CB 3.09Å; A20-A23 PolarHBondContact O-N 3.27Å; A20-I24 WeakPolarHBondContact O-CG1 3.27Å; A20-I24 PolarHBondContact O-N 2.72Å; A20-L45 HydrophobicContact CB-CD1 4.34Å; A20-F52 HydrophobicContact CB-CE2 3.58Å; A20-F52 HydrophobicContact CB-CZ 3.87Å; A20-L55 HydrophobicContact CB-CD2 3.98Å; A20-V56 HydrophobicContact CB-CG2 4.19Å; A20-L60 HydrophobicContact CB-CD1 4.23Å
21L94.2Very high90.8Very high0 Ų065 Ų650%030%0.304CS..Hα-helixtrans-62.7-41.1176.9-169.766000111.6A17 W18 I24 E25 L60 L65 V66 L81 L89A17-L21 VanDerWaalsContact O-CB 3.32Å; A17-L21 WeakPolarHBondContact O-CB 3.18Å; A17-L21 PolarHBondContact O-N 2.91Å; W18-L21 HydrophobicContact CE3-CD2 3.91Å; W18-L21 HydrophobicContact CZ3-CD2 3.79Å; W18-L21 PolarHBondContact O-N 3.48Å; L21-I24 PolarHBondContact O-N 3.49Å; L21-E25 PolarHBondContact O-N 3.06Å; L21-L60 HydrophobicContact CB-CD1 3.92Å; L21-L60 HydrophobicContact CB-CD2 4.12Å; L21-L60 HydrophobicContact CD1-CD1 4.09Å; L21-L60 HydrophobicContact CD1-CD2 4.21Å; L21-L60 HydrophobicContact CD2-CD2 4.33Å; L21-L60 HydrophobicContact CG-CD2 4.46Å; L21-L65 HydrophobicContact CD1-CB 4.14Å; L21-L65 HydrophobicContact CD2-CD1 4.28Å; L21-V66 HydrophobicContact CD1-CG2 3.52Å; L21-L81 HydrophobicContact CD1-CD1 3.43Å; L21-L81 VanDerWaalsContact CD1-CD1 3.43Å; L21-L81 HydrophobicContact CG-CD1 4.18Å; L21-L89 HydrophobicContact CB-CD2 4.21Å; L21-L89 HydrophobicContact CD2-CD1 4.44Å; L21-L89 HydrophobicContact CD2-CD2 3.85Å; L21-L89 HydrophobicContact CD2-CG 3.77Å; L21-L89 HydrophobicContact CG-CD1 4.03Å; L21-L89 HydrophobicContact CG-CD2 3.87Å; L21-L89 HydrophobicContact CG-CG 3.86Å
22T94.6Very high90.5Very high45 Ų4558.7 Ų58.728%0.27628%0.284SS..Hα-helixtrans-66.3-37.9174.3-51.50000111.7W18 A20 I24 E25 M26W18-T22 WeakPolarHBondContact O-CB 3Å; W18-T22 PolarHBondContact O-N 3.26Å; W18-T22 PolarHBondContact O-OG1 2.75Å; A20-T22 VanDerWaalsContact C-N 3.35Å; A20-T22 PolarHBondContact O-N 3.08Å; T22-I24 VanDerWaalsContact C-N 3.34Å; T22-I24 PolarHBondContact O-N 2.98Å; T22-E25 WeakPolarHBondContact O-CB 3.44Å; T22-E25 PolarHBondContact O-N 2.78Å; T22-M26 HydrophobicContact CG2-SD 4.41Å; T22-M26 WeakPolarHBondContact O-CG 3.49Å; T22-M26 PolarHBondContact O-N 3.47Å
23A94.3Very high90.4Very high2 Ų250.5 Ų50.52%0.01725%0.254CS..Hα-helixtrans-65.5-35.9175.900000112.8R19 A20 M26 G27 A39 I42R19-A23 WeakPolarHBondContact O-CB 3.13Å; R19-A23 PolarHBondContact O-N 3.4Å; A20-A23 WeakPolarHBondContact O-CB 3.09Å; A20-A23 PolarHBondContact O-N 3.27Å; A23-M26 PolarHBondContact O-N 3.09Å; A23-G27 PolarHBondContact O-N 3.27Å; A23-A39 WeakPolarHBondContact CB-O 3.45Å; A23-I42 HydrophobicContact CB-CB 3.99Å; A23-I42 HydrophobicContact CB-CG2 3.8Å
24I92.8Very high90.3Very high0 Ų050 Ų500%025%0.251CS..Hα-helixtrans-66.7-43.7172.4-65.6161.9000110.3A20 L21 T22 M26 G27 L28 V34 A39 V56 L60 V66 Y79 L81A20-I24 WeakPolarHBondContact O-CG1 3.27Å; A20-I24 PolarHBondContact O-N 2.72Å; L21-I24 PolarHBondContact O-N 3.49Å; T22-I24 VanDerWaalsContact C-N 3.34Å; T22-I24 PolarHBondContact O-N 2.98Å; I24-M26 VanDerWaalsContact C-N 3.32Å; I24-M26 PolarHBondContact O-N 2.72Å; I24-G27 PolarHBondContact O-N 3.07Å; I24-L28 HydrophobicContact CG2-CD1 4.48Å; I24-L28 WeakPolarHBondContact O-CG 3.07Å; I24-L28 PolarHBondContact O-N 3.28Å; I24-V34 HydrophobicContact CG2-CG2 4.37Å; I24-A39 HydrophobicContact CG1-CB 3.99Å; I24-V56 HydrophobicContact CD1-CG1 4.46Å; I24-L60 HydrophobicContact CD1-CD1 4.47Å; I24-V66 HydrophobicContact CD1-CG1 4.27Å; I24-V66 HydrophobicContact CD1-CG2 3.83Å; I24-Y79 HydrophobicContact CD1-CD2 4.08Å; I24-Y79 HydrophobicContact CD1-CG 3.99Å; I24-Y79 HydrophobicContact CG1-CD2 4.37Å; I24-Y79 HydrophobicContact CG1-CG 4.5Å; I24-L81 HydrophobicContact CG2-CB 4.41Å
25E92.6Very high90.2Very high24 Ų2450.6 Ų50.611%0.11226%0.255CS..Hα-helixtrans-55.9-45.3172.5-173.1-161.7179.500112.1L21 T22 L28 L81 Y86 L89 R180 R208L21-E25 PolarHBondContact O-N 3.06Å; T22-E25 WeakPolarHBondContact O-CB 3.44Å; T22-E25 PolarHBondContact O-N 2.78Å; E25-L28 PolarHBondContact O-N 3.15Å; E25-L81 HydrophobicContact CB-CD2 4.23Å; E25-L81 HydrophobicContact CG-CD2 4.37Å; E25-Y86 HydrophobicContact CG-CE2 4.34Å; E25-L89 HydrophobicContact CB-CD1 3.83Å; E25-L89 HydrophobicContact CG-CD1 4.2Å; E25-R180 IonicContact OE1-CZ 3.05Å; E25-R180 IonicContact OE1-NH1 2.87Å; E25-R180 IonicContact OE1-NH2 3.04Å; E25-R180 PolarHBondContact OE1-NH2 3.37Å; E25-R208 IonicContact OE1-CZ 3.09Å; E25-R208 IonicContact OE1-NE 3.27Å; E25-R208 PolarHBondContact OE1-NE 3.05Å; E25-R208 IonicContact OE1-NH2 2.77Å; E25-R208 IonicContact OE2-CZ 3.19Å; E25-R208 VanDerWaalsContact OE2-CZ 3.3Å; E25-R208 IonicContact OE2-NE 3.05Å; E25-R208 PolarHBondContact OE2-NE 2.87Å; E25-R208 IonicContact OE2-NH2 2.76Å; E25-R208 PolarHBondContact OE2-NH2 2.85Å
26M91.3Very high90.2Very high99 Ų9947 Ų4749%0.48823%0.229SC..Hα-helixtrans-65.8-38.8178.5-72.8175.16700112.6T22 A23 I24 L28 K29 I42T22-M26 HydrophobicContact CG2-SD 4.41Å; T22-M26 WeakPolarHBondContact O-CG 3.49Å; T22-M26 PolarHBondContact O-N 3.47Å; A23-M26 PolarHBondContact O-N 3.09Å; I24-M26 VanDerWaalsContact C-N 3.32Å; I24-M26 PolarHBondContact O-N 2.72Å; M26-L28 VanDerWaalsContact C-N 3.33Å; M26-L28 PolarHBondContact O-N 3.04Å; M26-K29 WeakPolarHBondContact O-CB 3.41Å; M26-K29 WeakPolarHBondContact O-CG 3.38Å; M26-K29 PolarHBondContact O-N 2.93Å; M26-I42 HydrophobicContact CB-CG2 3.86Å; M26-I42 HydrophobicContact CE-CG2 4Å; M26-I42 HydrophobicContact SD-CG2 4.02Å
27G90.2Very high90.1Very high3 Ų351.2 Ų51.23%0.03125%0.249CC..Hα-helixtrans-64.6-34.2175.300000113.5A23 I24 K29 N30 H31A23-G27 PolarHBondContact O-N 3.27Å; I24-G27 PolarHBondContact O-N 3.07Å; G27-K29 PolarHBondContact O-N 3.35Å; G27-K29 VanDerWaalsContact O-N 3.08Å; G27-N30 PolarHBondContact O-N 3.16Å; G27-N30 VanDerWaalsContact O-N 3.11Å; G27-H31 PolarHBondContact O-CD2 3.4Å; G27-H31 PolarHBondContact O-N 3.18Å
28L87.3Confident90Very high34 Ų3453.6 Ų53.618%0.17826%0.261CS..THydrogen-bonded Turntrans-65.9-8179.1-73.4173.4000114.5I24 E25 M26 N30 H31 E32 V34 R80 L81I24-L28 HydrophobicContact CG2-CD1 4.48Å; I24-L28 WeakPolarHBondContact O-CG 3.07Å; I24-L28 PolarHBondContact O-N 3.28Å; E25-L28 PolarHBondContact O-N 3.15Å; M26-L28 VanDerWaalsContact C-N 3.33Å; M26-L28 PolarHBondContact O-N 3.04Å; L28-N30 VanDerWaalsContact C-N 3.25Å; L28-N30 PolarHBondContact O-N 3.44Å; L28-H31 WeakPolarHBondContact CA-O 3.21Å; L28-H31 WeakPolarHBondContact CD2-O 3.48Å; L28-E32 WeakPolarHBondContact CD2-O 3.22Å; L28-V34 HydrophobicContact CB-CG2 4.48Å; L28-V34 HydrophobicContact CD2-CG2 3.77Å; L28-V34 HydrophobicContact CG-CG2 3.74Å; L28-R80 HydrophobicContact CD2-CG 4.32Å; L28-L81 HydrophobicContact CD1-CB 3.36Å; L28-L81 HydrophobicContact CD1-CD2 4.37Å
29K83.6Confident89.9Confident163 Ų16352.7 Ų52.771%0.70926%0.257SS*.THydrogen-bonded Turntrans-64.4-31.1169.8-66.1-175.4177.6-173.50112.6M26 G27M26-K29 WeakPolarHBondContact O-CB 3.41Å; M26-K29 WeakPolarHBondContact O-CG 3.38Å; M26-K29 PolarHBondContact O-N 2.93Å; G27-K29 PolarHBondContact O-N 3.35Å; G27-K29 VanDerWaalsContact O-N 3.08Å
30N82.7Confident89.9Confident137 Ų13747.6 Ų47.673%0.73324%0.24SC*.THydrogen-bonded Turntrans-118.9-12.3-171-62.9-8000113.7G27 L28G27-N30 PolarHBondContact O-N 3.16Å; G27-N30 VanDerWaalsContact O-N 3.11Å; L28-N30 VanDerWaalsContact C-N 3.25Å; L28-N30 PolarHBondContact O-N 3.44Å
31H83.3Confident89.8Confident84 Ų8455.4 Ų55.439%0.38927%0.274SS..  trans-139.2139.4-174.4-52.7-84.6000110.9G27 L28 V33 L38G27-H31 PolarHBondContact O-CD2 3.4Å; G27-H31 PolarHBondContact O-N 3.18Å; L28-H31 WeakPolarHBondContact CA-O 3.21Å; L28-H31 WeakPolarHBondContact CD2-O 3.48Å; H31-V33 VanDerWaalsContact C-N 3.26Å; H31-V33 WeakPolarHBondContact CB-O 3.43Å; H31-V33 PolarHBondContact O-N 3.13Å; H31-L38 VanDerWaalsContact CD2-CD2 3.49Å; H31-L38 WeakPolarHBondContact CD2-CD2 3.26Å; H31-L38 VanDerWaalsContact NE2-CD2 3.32Å; H31-L38 WeakPolarHBondContact NE2-CD2 3.17Å
32E78.8Confident89.8Confident88 Ų8857.5 Ų57.541%0.41129%0.285SS..SBendtrans-69-27.7173.8-175.8163.5160.700111.7L28 K161 S172L28-E32 WeakPolarHBondContact CD2-O 3.22Å; E32-K161 IonicContact OE1-NZ 2.7Å; E32-K161 PolarHBondContact OE1-NZ 3.09Å; E32-S172 WeakPolarHBondContact OE2-CB 3.39Å; E32-S172 PolarHBondContact OE2-OG 3.4Å
33V86.4Confident89.6Confident23 Ų2355.4 Ų55.414%0.13927%0.272CS..SBendtrans-136.4130174.8-179.90000108.2H31 E69 G78H31-V33 VanDerWaalsContact C-N 3.26Å; H31-V33 WeakPolarHBondContact CB-O 3.43Å; H31-V33 PolarHBondContact O-N 3.13Å; V33-E69 HydrophobicContact CG1-CB 4.45Å; V33-E69 HydrophobicContact CG2-CB 4.3Å; V33-G78 WeakPolarHBondContact CG1-O 3.34Å
34V89.3Confident89.4Confident0 Ų062.2 Ų62.20%030%0.303CS..BIsolated β-bridgetrans-94118.9-171.6-172.90000111.1I24 L28 L38 A39 G78 Y79I24-V34 HydrophobicContact CG2-CG2 4.37Å; L28-V34 HydrophobicContact CB-CG2 4.48Å; L28-V34 HydrophobicContact CD2-CG2 3.77Å; L28-V34 HydrophobicContact CG-CG2 3.74Å; V34-L38 HydrophobicContact CG1-CB 4.44Å; V34-L38 HydrophobicContact CG1-CD2 4.27Å; V34-L38 HydrophobicContact CG1-CG 4.39Å; V34-A39 HydrophobicContact CG1-CB 4.08Å; V34-G78 CarbonylContact O-C 3.01Å; V34-G78 VanDerWaalsContact O-CA 3.25Å; V34-G78 WeakPolarHBondContact O-CA 3.43Å; V34-Y79 PolarHBondContact N-O 3.13Å; V34-Y79 PolarHBondContact O-N 2.88Å
35P91Very high89.3Confident48 Ų4863.3 Ų63.331%0.31231%0.309SS..  trans-58.7145.5176.9-25.635.3000112.7E37 L38 A39P35-E37 VanDerWaalsContact C-N 3.31Å; P35-E37 PolarHBondContact O-N 3.2Å; P35-L38 HydrophobicContact CB-CB 4.29Å; P35-L38 PolarHBondContact O-N 3.43Å; P35-L38 VanDerWaalsContact O-N 3.13Å; P35-A39 PolarHBondContact O-N 3.35Å
36P91.4Very high89.1Confident24 Ų2474.3 Ų74.316%0.15635%0.35CS..Hα-helixtrans-61.5-37.7-176.224.3-33.9000112.9A39 L40 Y79P36-A39 PolarHBondContact O-N 2.78Å; P36-L40 WeakPolarHBondContact O-CB 3.18Å; P36-L40 PolarHBondContact O-N 3.47Å; P36-Y79 HydrophobicContact CB-CE2 3.75Å
37E91.1Very high88.8Confident148 Ų14874 Ų7469%0.69234%0.343SS*.Hα-helixtrans-62.9-40.9175.8-63.5171.7-165.200112.3P35 L40 K41P35-E37 VanDerWaalsContact C-N 3.31Å; P35-E37 PolarHBondContact O-N 3.2Å; E37-L40 PolarHBondContact O-N 3.1Å; E37-K41 WeakPolarHBondContact O-CB 3.25Å; E37-K41 PolarHBondContact O-N 3.42Å
38L92.1Very high88.7Confident49 Ų4977.5 Ų77.526%0.25737%0.367SS..Hα-helixtrans-69.2-42.5177.2-178.762000110.9H31 V34 P35 L40 K41 I42H31-L38 VanDerWaalsContact CD2-CD2 3.49Å; H31-L38 WeakPolarHBondContact CD2-CD2 3.26Å; H31-L38 VanDerWaalsContact NE2-CD2 3.32Å; H31-L38 WeakPolarHBondContact NE2-CD2 3.17Å; V34-L38 HydrophobicContact CG1-CB 4.44Å; V34-L38 HydrophobicContact CG1-CD2 4.27Å; V34-L38 HydrophobicContact CG1-CG 4.39Å; P35-L38 HydrophobicContact CB-CB 4.29Å; P35-L38 PolarHBondContact O-N 3.43Å; P35-L38 VanDerWaalsContact O-N 3.13Å; L38-L40 PolarHBondContact O-N 2.75Å; L38-K41 PolarHBondContact O-N 2.78Å; L38-I42 HydrophobicContact CD1-CD1 3.9Å; L38-I42 HydrophobicContact CD1-CG1 4.16Å; L38-I42 HydrophobicContact CD2-CD1 4.49Å; L38-I42 HydrophobicContact CG-CD1 3.82Å; L38-I42 HydrophobicContact CG-CG1 4.45Å; L38-I42 VanDerWaalsContact O-CG1 3.3Å; L38-I42 WeakPolarHBondContact O-CG1 3.33Å; L38-I42 PolarHBondContact O-N 3.46Å
39A92.4Very high88.5Confident0 Ų078.3 Ų78.30%038%0.375CS..Hα-helixtrans-61.3-42.517500000111.6A23 I24 V34 P35 P36 S43 F52 Y79A23-A39 WeakPolarHBondContact CB-O 3.45Å; I24-A39 HydrophobicContact CG1-CB 3.99Å; V34-A39 HydrophobicContact CG1-CB 4.08Å; P35-A39 PolarHBondContact O-N 3.35Å; P36-A39 PolarHBondContact O-N 2.78Å; A39-S43 VanDerWaalsContact O-CB 3.29Å; A39-S43 WeakPolarHBondContact O-CB 3.44Å; A39-S43 PolarHBondContact O-N 2.86Å; A39-F52 HydrophobicContact CB-CE1 3.71Å; A39-F52 HydrophobicContact CB-CZ 3.71Å; A39-Y79 HydrophobicContact CB-CD2 4.29Å
40L93.1Very high88.6Confident29 Ų2977.2 Ų77.215%0.15238%0.375CS..Hα-helixtrans-61.1-49.5172.2173.955.7000111.2P36 E37 L38 I42 S43 H44 L45 C49 F52P36-L40 WeakPolarHBondContact O-CB 3.18Å; P36-L40 PolarHBondContact O-N 3.47Å; E37-L40 PolarHBondContact O-N 3.1Å; L38-L40 PolarHBondContact O-N 2.75Å; L40-I42 VanDerWaalsContact C-N 3.35Å; L40-I42 PolarHBondContact O-N 3.49Å; L40-S43 PolarHBondContact O-N 2.89Å; L40-S43 PolarHBondContact O-OG 2.9Å; L40-H44 PolarHBondContact O-N 3.37Å; L40-L45 HydrophobicContact CD1-CB 4.35Å; L40-C49 HydrophobicContact CD2-CB 4.26Å; L40-F52 HydrophobicContact CB-CB 4.45Å; L40-F52 HydrophobicContact CB-CD1 4.16Å; L40-F52 HydrophobicContact CB-CD2 4.17Å; L40-F52 HydrophobicContact CB-CE1 4.48Å; L40-F52 HydrophobicContact CB-CE2 4.48Å; L40-F52 HydrophobicContact CB-CG 4.01Å; L40-F52 HydrophobicContact CD1-CB 4.12Å; L40-F52 HydrophobicContact CD1-CD2 3.85Å; L40-F52 HydrophobicContact CD1-CG 4.12Å; L40-F52 HydrophobicContact CD2-CB 4.4Å
41K93.5Very high88.9Confident164 Ų16471.5 Ų71.571%0.71335%0.349SS*.Hα-helixtrans-57.7-43.6-180-174.4175.2-179.1176.70112.6E37 L38E37-K41 WeakPolarHBondContact O-CB 3.25Å; E37-K41 PolarHBondContact O-N 3.42Å; L38-K41 PolarHBondContact O-N 2.78Å
42I93Very high89.3Confident43 Ų4367.5 Ų67.522%0.22133%0.331CS..Hα-helixtrans-71.4-32.2176.4-63.3168.6000111.3A23 M26 L38 L40 H44A23-I42 HydrophobicContact CB-CB 3.99Å; A23-I42 HydrophobicContact CB-CG2 3.8Å; M26-I42 HydrophobicContact CB-CG2 3.86Å; M26-I42 HydrophobicContact CE-CG2 4Å; M26-I42 HydrophobicContact SD-CG2 4.02Å; L38-I42 HydrophobicContact CD1-CD1 3.9Å; L38-I42 HydrophobicContact CD1-CG1 4.16Å; L38-I42 HydrophobicContact CD2-CD1 4.49Å; L38-I42 HydrophobicContact CG-CD1 3.82Å; L38-I42 HydrophobicContact CG-CG1 4.45Å; L38-I42 VanDerWaalsContact O-CG1 3.3Å; L38-I42 WeakPolarHBondContact O-CG1 3.33Å; L38-I42 PolarHBondContact O-N 3.46Å; L40-I42 VanDerWaalsContact C-N 3.35Å; L40-I42 PolarHBondContact O-N 3.49Å; I42-H44 VanDerWaalsContact C-N 3.28Å; I42-H44 PolarHBondContact O-CD2 2.71Å; I42-H44 PolarHBondContact O-N 3.17Å
43S91.7Very high89.8Confident2 Ų264.8 Ų64.81%0.01432%0.321CS..Hα-helixtrans-68.2-26.1178.678.60000113.3R19 A39 L40 L45R19-S43 WeakPolarHBondContact CD-O 3.45Å; R19-S43 WeakPolarHBondContact CG-O 3.42Å; R19-S43 PolarHBondContact NE-O 3.04Å; A39-S43 VanDerWaalsContact O-CB 3.29Å; A39-S43 WeakPolarHBondContact O-CB 3.44Å; A39-S43 PolarHBondContact O-N 2.86Å; L40-S43 PolarHBondContact O-N 2.89Å; L40-S43 PolarHBondContact O-OG 2.9Å; S43-L45 PolarHBondContact O-N 3.21Å; S43-L45 WeakPolarHBondContact OG-CG 3.5Å; S43-L45 PolarHBondContact OG-N 2.95Å
44H90.5Very high90Very high144 Ų14468.7 Ų68.767%0.66734%0.338SS*.THydrogen-bonded Turntrans52.726.7-171.5-55.7-84.1000114.1L40 I42L40-H44 PolarHBondContact O-N 3.37Å; I42-H44 VanDerWaalsContact C-N 3.28Å; I42-H44 PolarHBondContact O-CD2 2.71Å; I42-H44 PolarHBondContact O-N 3.17Å
45L91Very high90.2Very high23 Ų2368.9 Ų68.912%0.1234%0.339CS..  trans-75.5141.8176.1-68.2173.2000111.1E16 R19 A20 L40 S43 R47 F52E16-L45 HydrophobicContact CB-CD1 4.25Å; E16-L45 HydrophobicContact CB-CD2 3.99Å; E16-L45 HydrophobicContact CG-CD2 3.84Å; R19-L45 HydrophobicContact CB-CD2 4.37Å; R19-L45 HydrophobicContact CG-CD2 4.34Å; A20-L45 HydrophobicContact CB-CD1 4.34Å; L40-L45 HydrophobicContact CD1-CB 4.35Å; S43-L45 PolarHBondContact O-N 3.21Å; S43-L45 WeakPolarHBondContact OG-CG 3.5Å; S43-L45 PolarHBondContact OG-N 2.95Å; L45-R47 PolarHBondContact O-N 3.43Å; L45-F52 HydrophobicContact CD1-CD2 4.05Å; L45-F52 HydrophobicContact CD1-CE2 4.08Å
46R88.2Confident90.2Very high255 Ų25566.6 Ų66.696%0.96232%0.324SS*.SBendtrans-81.354.9176.5-65.2-176.7179.6174.8-0.2111.3
47R83.8Confident90.2Very high93 Ų9371.5 Ų71.535%0.35135%0.345SS..  trans-124.2150.9-178.8-73.2179.1168-101.9-4.8110.8E16 L45 G51E16-R47 IonicContact OE1-NE 2.99Å; E16-R47 PolarHBondContact OE1-NE 3.42Å; E16-R47 IonicContact OE2-CZ 2.88Å; E16-R47 IonicContact OE2-NE 3.33Å; E16-R47 PolarHBondContact OE2-NE 2.78Å; E16-R47 IonicContact OE2-NH2 3.24Å; E16-R47 PolarHBondContact OE2-NH2 2.68Å; L45-R47 PolarHBondContact O-N 3.43Å; R47-G51 PolarHBondContact NH1-O 3.02Å
48S87.7Confident90.2Very high77 Ų7769.3 Ų69.354%0.53834%0.335SS..  trans-67.5160.716666.40000110.4I50 G51 F52S48-I50 PolarHBondContact O-N 3.36Å; S48-G51 CarbonylContact O-C 3.55Å; S48-G51 PolarHBondContact O-N 3.48Å; S48-G51 VanDerWaalsContact O-N 3.08Å; S48-G51 PolarHBondContact OG-N 3.09Å; S48-G51 VanDerWaalsContact OG-N 3.1Å; S48-F52 PolarHBondContact O-N 3.04Å
49C83.2Confident90.2Very high50 Ų5069.5 Ų69.534%0.33833%0.334SS..Hα-helixtrans-57.6-37.2177-165.90000112.1L40 F52 S53L40-C49 HydrophobicContact CD2-CB 4.26Å; C49-F52 PolarHBondContact O-N 3.4Å; C49-S53 PolarHBondContact O-N 3.17Å; C49-S53 PolarHBondContact O-OG 3Å; C49-S53 VanDerWaalsContact O-OG 3.13Å
50I86.3Confident90.2Very high140 Ų14069.5 Ų69.572%0.71833%0.334SS*.Hα-helixtrans-64.3-48.4174.8-59.9165.8000110.4S48 F52 S53 H54S48-I50 PolarHBondContact O-N 3.36Å; I50-F52 VanDerWaalsContact C-N 3.26Å; I50-F52 PolarHBondContact O-N 2.91Å; I50-S53 PolarHBondContact O-N 3.04Å; I50-H54 WeakPolarHBondContact O-CB 3.4Å; I50-H54 PolarHBondContact O-N 3.15Å
51G89.2Confident90.2Very high18 Ų1870.6 Ų70.619%0.18634%0.34CS..Hα-helixtrans-69.1-18.717900000114.7R47 S48R47-G51 PolarHBondContact NH1-O 3.02Å; S48-G51 CarbonylContact O-C 3.55Å; S48-G51 PolarHBondContact O-N 3.48Å; S48-G51 VanDerWaalsContact O-N 3.08Å; S48-G51 PolarHBondContact OG-N 3.09Å; S48-G51 VanDerWaalsContact OG-N 3.1Å
52F91Very high90Very high0 Ų068.4 Ų68.40%034%0.335CS..Hα-helixtrans-78-51167.7-179.4-94.2000110.9A20 A39 L40 L45 S48 C49 I50 H54 L55 V56 Y79A20-F52 HydrophobicContact CB-CE2 3.58Å; A20-F52 HydrophobicContact CB-CZ 3.87Å; A39-F52 HydrophobicContact CB-CE1 3.71Å; A39-F52 HydrophobicContact CB-CZ 3.71Å; L40-F52 HydrophobicContact CB-CB 4.45Å; L40-F52 HydrophobicContact CB-CD1 4.16Å; L40-F52 HydrophobicContact CB-CD2 4.17Å; L40-F52 HydrophobicContact CB-CE1 4.48Å; L40-F52 HydrophobicContact CB-CE2 4.48Å; L40-F52 HydrophobicContact CB-CG 4.01Å; L40-F52 HydrophobicContact CD1-CB 4.12Å; L40-F52 HydrophobicContact CD1-CD2 3.85Å; L40-F52 HydrophobicContact CD1-CG 4.12Å; L40-F52 HydrophobicContact CD2-CB 4.4Å; L45-F52 HydrophobicContact CD1-CD2 4.05Å; L45-F52 HydrophobicContact CD1-CE2 4.08Å; S48-F52 PolarHBondContact O-N 3.04Å; C49-F52 PolarHBondContact O-N 3.4Å; I50-F52 VanDerWaalsContact C-N 3.26Å; I50-F52 PolarHBondContact O-N 2.91Å; F52-H54 VanDerWaalsContact C-N 3.29Å; F52-H54 PolarHBondContact O-N 3.46Å; F52-L55 PolarHBondContact O-N 2.87Å; F52-V56 HydrophobicContact CD1-CG2 4.08Å; F52-V56 HydrophobicContact CE1-CG2 3.71Å; F52-V56 HydrophobicContact CE2-CG2 4.42Å; F52-V56 HydrophobicContact CZ-CG2 3.89Å; F52-V56 WeakPolarHBondContact O-CG2 3.28Å; F52-V56 PolarHBondContact O-N 2.92Å; F52-Y79 AromaticContact CE1-CE2 3.99Å; F52-Y79 HydrophobicContact CE1-CE2 3.99Å
53S89.7Confident89.9Confident31 Ų3167.5 Ų67.522%0.21733%0.331CS..Hα-helixtrans-58.6-39.5178.5-64.80000112.6C49 I50 V56 Q57 Y79C49-S53 PolarHBondContact O-N 3.17Å; C49-S53 PolarHBondContact O-OG 3Å; C49-S53 VanDerWaalsContact O-OG 3.13Å; I50-S53 PolarHBondContact O-N 3.04Å; S53-V56 PolarHBondContact O-N 3.38Å; S53-Q57 VanDerWaalsContact O-CB 3.28Å; S53-Q57 WeakPolarHBondContact O-CB 3.4Å; S53-Q57 PolarHBondContact O-N 3.38Å; S53-Y79 WeakPolarHBondContact CA-OH 3.37Å; S53-Y79 PolarHBondContact OG-OH 2.64Å
54H91.8Very high89.8Confident104 Ų10474 Ų7448%0.48136%0.359SS..Hα-helixtrans-59.5-50.8174.7-159.1-84.7000111.5I50 F52 V56 Q57 E58I50-H54 WeakPolarHBondContact O-CB 3.4Å; I50-H54 PolarHBondContact O-N 3.15Å; F52-H54 VanDerWaalsContact C-N 3.29Å; F52-H54 PolarHBondContact O-N 3.46Å; H54-V56 VanDerWaalsContact C-N 3.35Å; H54-V56 PolarHBondContact O-N 3.43Å; H54-Q57 WeakPolarHBondContact O-CB 3.42Å; H54-Q57 PolarHBondContact O-N 3.31Å; H54-Q57 VanDerWaalsContact O-N 3.11Å; H54-E58 IonicContact CE1-OE1 2.72Å; H54-E58 PolarHBondContact CE1-OE1 3.24Å; H54-E58 VanDerWaalsContact CE1-OE1 3.23Å; H54-E58 IonicContact CE1-OE2 3.23Å; H54-E58 PolarHBondContact CE1-OE2 3.45Å; H54-E58 IonicContact CG-OE2 3.79Å; H54-E58 IonicContact ND1-OE1 3.16Å; H54-E58 IonicContact ND1-OE2 2.71Å; H54-E58 PolarHBondContact ND1-OE2 3.18Å; H54-E58 WeakPolarHBondContact O-CG 3.29Å; H54-E58 PolarHBondContact O-N 3.35Å
55L92.1Very high89.8Confident5 Ų567.1 Ų67.13%0.02633%0.327CS..Hα-helixtrans-62.1-38.9178.3169.7142.1000112.6E16 A17 A20 F52 Q59E16-L55 HydrophobicContact CB-CD1 3.71Å; A17-L55 HydrophobicContact CB-CD2 4.22Å; A17-L55 HydrophobicContact CB-CG 4.47Å; A20-L55 HydrophobicContact CB-CD2 3.98Å; F52-L55 PolarHBondContact O-N 2.87Å; L55-Q59 WeakPolarHBondContact O-CB 3.45Å; L55-Q59 PolarHBondContact O-N 2.91Å
56V91.6Very high89.9Confident0 Ų066.2 Ų66.20%032%0.322CS..Hα-helixtrans-66.1-41.1173.4174.60000110.9A20 I24 F52 S53 H54 L60 I61 V66 Y79A20-V56 HydrophobicContact CB-CG2 4.19Å; I24-V56 HydrophobicContact CD1-CG1 4.46Å; F52-V56 HydrophobicContact CD1-CG2 4.08Å; F52-V56 HydrophobicContact CE1-CG2 3.71Å; F52-V56 HydrophobicContact CE2-CG2 4.42Å; F52-V56 HydrophobicContact CZ-CG2 3.89Å; F52-V56 WeakPolarHBondContact O-CG2 3.28Å; F52-V56 PolarHBondContact O-N 2.92Å; S53-V56 PolarHBondContact O-N 3.38Å; H54-V56 VanDerWaalsContact C-N 3.35Å; H54-V56 PolarHBondContact O-N 3.43Å; V56-L60 HydrophobicContact CG1-CB 4.31Å; V56-L60 HydrophobicContact CG1-CD1 4.26Å; V56-L60 HydrophobicContact CG2-CD1 4.23Å; V56-L60 CarbonylContact O-C 3.5Å; V56-L60 WeakPolarHBondContact O-CA 3.17Å; V56-L60 VanDerWaalsContact O-CB 3.31Å; V56-L60 WeakPolarHBondContact O-CB 3.42Å; V56-L60 PolarHBondContact O-N 3.26Å; V56-I61 HydrophobicContact CG1-CD1 4.33Å; V56-I61 HydrophobicContact CG1-CG1 4.26Å; V56-I61 PolarHBondContact O-N 2.91Å; V56-V66 HydrophobicContact CG1-CG1 4.27Å; V56-Y79 HydrophobicContact CB-CE1 4.3Å; V56-Y79 HydrophobicContact CG1-CD1 3.77Å; V56-Y79 HydrophobicContact CG1-CD2 4.49Å; V56-Y79 HydrophobicContact CG1-CE1 3.46Å; V56-Y79 VanDerWaalsContact CG1-CE1 3.46Å; V56-Y79 HydrophobicContact CG1-CE2 4.2Å; V56-Y79 HydrophobicContact CG1-CG 4.3Å; V56-Y79 HydrophobicContact CG2-CE2 4.48Å
57Q92Very high90Very high127 Ų12755.4 Ų55.459%0.59329%0.287SS*.Iπ-helixtrans-65.3-50.9179-176.6170.9-17.600112.1S53 H54 L62S53-Q57 VanDerWaalsContact O-CB 3.28Å; S53-Q57 WeakPolarHBondContact O-CB 3.4Å; S53-Q57 PolarHBondContact O-N 3.38Å; H54-Q57 WeakPolarHBondContact O-CB 3.42Å; H54-Q57 PolarHBondContact O-N 3.31Å; H54-Q57 VanDerWaalsContact O-N 3.11Å; Q57-L62 PolarHBondContact O-N 2.84Å; Q57-L62 VanDerWaalsContact O-N 3.11Å
58E91.2Very high90.3Very high102 Ų10256.1 Ų56.148%0.47729%0.291SS..Iπ-helixtrans-66.9-45.2-179.2-70.2178.2121.900113.4H54 L62H54-E58 IonicContact CE1-OE1 2.72Å; H54-E58 PolarHBondContact CE1-OE1 3.24Å; H54-E58 VanDerWaalsContact CE1-OE1 3.23Å; H54-E58 IonicContact CE1-OE2 3.23Å; H54-E58 PolarHBondContact CE1-OE2 3.45Å; H54-E58 IonicContact CG-OE2 3.79Å; H54-E58 IonicContact ND1-OE1 3.16Å; H54-E58 IonicContact ND1-OE2 2.71Å; H54-E58 PolarHBondContact ND1-OE2 3.18Å; H54-E58 WeakPolarHBondContact O-CG 3.29Å; H54-E58 PolarHBondContact O-N 3.35Å; E58-L62 WeakPolarHBondContact O-CB 3.39Å; E58-L62 WeakPolarHBondContact O-CD2 3.41Å
59Q91.3Very high90.2Very high53 Ų5355.5 Ų55.525%0.24828%0.28CS..Iπ-helixtrans-102.9-25.2-169.7-60.2-160.8-2.200114.3S14 A17 L55 N63S14-Q59 VanDerWaalsContact CB-OE1 3.25Å; S14-Q59 PolarHBondContact OG-OE1 3.48Å; A17-Q59 HydrophobicContact CB-CB 3.83Å; L55-Q59 WeakPolarHBondContact O-CB 3.45Å; L55-Q59 PolarHBondContact O-N 2.91Å; Q59-N63 WeakPolarHBondContact O-CB 3.48Å; Q59-N63 PolarHBondContact O-ND2 3.1Å
60L92.7Very high90.1Very high0 Ų056.8 Ų56.80%029%0.286CS..Iπ-helixtrans-108.9-42-176.3-52.8-178.7000113A17 A20 L21 I24 V56 K64 L65 V66A17-L60 HydrophobicContact CB-CD2 4.08Å; A17-L60 HydrophobicContact CB-CG 4.46Å; A20-L60 HydrophobicContact CB-CD1 4.23Å; L21-L60 HydrophobicContact CB-CD1 3.92Å; L21-L60 HydrophobicContact CB-CD2 4.12Å; L21-L60 HydrophobicContact CD1-CD1 4.09Å; L21-L60 HydrophobicContact CD1-CD2 4.21Å; L21-L60 HydrophobicContact CD2-CD2 4.33Å; L21-L60 HydrophobicContact CG-CD2 4.46Å; I24-L60 HydrophobicContact CD1-CD1 4.47Å; V56-L60 HydrophobicContact CG1-CB 4.31Å; V56-L60 HydrophobicContact CG1-CD1 4.26Å; V56-L60 HydrophobicContact CG2-CD1 4.23Å; V56-L60 CarbonylContact O-C 3.5Å; V56-L60 WeakPolarHBondContact O-CA 3.17Å; V56-L60 VanDerWaalsContact O-CB 3.31Å; V56-L60 WeakPolarHBondContact O-CB 3.42Å; V56-L60 PolarHBondContact O-N 3.26Å; L60-K64 PolarHBondContact O-N 3.06Å; L60-K64 VanDerWaalsContact O-N 3.12Å; L60-L65 HydrophobicContact CD2-CD1 4.03Å; L60-L65 PolarHBondContact O-N 3.04Å; L60-V66 HydrophobicContact CB-CB 4.04Å; L60-V66 HydrophobicContact CB-CG2 3.84Å; L60-V66 HydrophobicContact CD1-CG2 4.09Å; L60-V66 PolarHBondContact O-N 2.84Å
61I92.3Very high89.4Confident52 Ų5253.2 Ų53.227%0.26727%0.268SS..Iπ-helixtrans-77.1-44179.2-58.7179000111.1V56 N63 K64 V66 Y79V56-I61 HydrophobicContact CG1-CD1 4.33Å; V56-I61 HydrophobicContact CG1-CG1 4.26Å; V56-I61 PolarHBondContact O-N 2.91Å; I61-N63 PolarHBondContact O-N 3.02Å; I61-K64 WeakPolarHBondContact O-CA 3.43Å; I61-K64 PolarHBondContact O-N 3.35Å; I61-V66 HydrophobicContact CG1-CB 4.28Å; I61-V66 HydrophobicContact CG1-CG1 4.24Å; I61-Y79 HydrophobicContact CD1-CD1 4.47Å; I61-Y79 HydrophobicContact CD1-CE1 4.09Å
62L90.2Very high88.3Confident118 Ų11859.1 Ų59.162%0.61830%0.295SS*.THydrogen-bonded Turntrans-58.3-32.1173.7-171.465.1000112.9R9 Q57 E58R9-L62 PolarHBondContact NH1-O 3.44Å; R9-L62 VanDerWaalsContact NH1-O 3.09Å; Q57-L62 PolarHBondContact O-N 2.84Å; Q57-L62 VanDerWaalsContact O-N 3.11Å; E58-L62 WeakPolarHBondContact O-CB 3.39Å; E58-L62 WeakPolarHBondContact O-CD2 3.41Å
63N89.7Confident86.8Confident23 Ų2369.3 Ų69.312%0.12333%0.334CS..THydrogen-bonded Turntrans-88.51.1173.9-72.3-43.5000114.1R9 Q59 I61 L65R9-N63 VanDerWaalsContact CD-OD1 3.27Å; R9-N63 WeakPolarHBondContact CD-OD1 3.45Å; R9-N63 WeakPolarHBondContact CG-OD1 3.35Å; R9-N63 PolarHBondContact NH1-OD1 3.2Å; Q59-N63 WeakPolarHBondContact O-CB 3.48Å; Q59-N63 PolarHBondContact O-ND2 3.1Å; I61-N63 PolarHBondContact O-N 3.02Å; N63-L65 HydrophobicContact CB-CD1 4.12Å; N63-L65 HydrophobicContact CB-CD2 4.5Å; N63-L65 HydrophobicContact CB-CG 3.87Å; N63-L65 PolarHBondContact O-N 3.34Å
64K90.4Very high85.5Confident139 Ų13974.1 Ų74.160%0.60435%0.353SS*.THydrogen-bonded Turntrans60.524.7175.6-51.8178.6-176.31790113.4L60 I61 T82L60-K64 PolarHBondContact O-N 3.06Å; L60-K64 VanDerWaalsContact O-N 3.12Å; I61-K64 WeakPolarHBondContact O-CA 3.43Å; I61-K64 PolarHBondContact O-N 3.35Å; K64-T82 WeakPolarHBondContact O-CG2 3.32Å; K64-T82 PolarHBondContact O-OG1 2.81Å
65L91.7Very high84.3Confident0 Ų074 Ų740%036%0.363CS..SBendtrans-80.5-32.4175-50.9-177000111.1I13 L21 L60 N63 T82 L84 G85 Y88I13-L65 HydrophobicContact CD1-CD1 3.59Å; L21-L65 HydrophobicContact CD1-CB 4.14Å; L21-L65 HydrophobicContact CD2-CD1 4.28Å; L60-L65 HydrophobicContact CD2-CD1 4.03Å; L60-L65 PolarHBondContact O-N 3.04Å; N63-L65 HydrophobicContact CB-CD1 4.12Å; N63-L65 HydrophobicContact CB-CD2 4.5Å; N63-L65 HydrophobicContact CB-CG 3.87Å; N63-L65 PolarHBondContact O-N 3.34Å; L65-T82 PolarHBondContact O-N 3.45Å; L65-T82 PolarHBondContact O-OG1 2.98Å; L65-T82 VanDerWaalsContact O-OG1 3.13Å; L65-L84 HydrophobicContact CD2-CD2 4.06Å; L65-L84 HydrophobicContact CD2-CG 3.86Å; L65-G85 WeakPolarHBondContact O-CA 3.36Å; L65-Y88 HydrophobicContact CD1-CD1 3.62Å; L65-Y88 HydrophobicContact CD1-CE1 4.03Å; L65-Y88 HydrophobicContact CD1-CG 4.26Å; L65-Y88 HydrophobicContact CD2-CD1 3.63Å; L65-Y88 HydrophobicContact CD2-CD2 3.86Å; L65-Y88 HydrophobicContact CD2-CE1 3.82Å; L65-Y88 HydrophobicContact CD2-CE2 4.06Å; L65-Y88 HydrophobicContact CD2-CG 3.64Å; L65-Y88 HydrophobicContact CG-CD1 4.29Å
66V91.9Very high83.3Confident3 Ų379.2 Ų79.22%0.01839%0.389CS..EExtended strand (participates in β ladder)trans-123.6141.3175.4172.30000108.5L21 I24 V56 L60 I61 Y79L21-V66 HydrophobicContact CD1-CG2 3.52Å; I24-V66 HydrophobicContact CD1-CG1 4.27Å; I24-V66 HydrophobicContact CD1-CG2 3.83Å; V56-V66 HydrophobicContact CG1-CG1 4.27Å; L60-V66 HydrophobicContact CB-CB 4.04Å; L60-V66 HydrophobicContact CB-CG2 3.84Å; L60-V66 HydrophobicContact CD1-CG2 4.09Å; L60-V66 PolarHBondContact O-N 2.84Å; I61-V66 HydrophobicContact CG1-CB 4.28Å; I61-V66 HydrophobicContact CG1-CG1 4.24Å; V66-Y79 HydrophobicContact CG1-CD1 3.62Å; V66-Y79 HydrophobicContact CG1-CG 3.98Å
67A90.5Very high82.9Confident28 Ų2884.7 Ų84.723%0.23141%0.413CS..EExtended strand (participates in β ladder)trans-103.5142.5161.700000108.8E69 Y79 R80 T82A67-E69 HydrophobicContact CB-CG 4.39Å; A67-Y79 WeakPolarHBondContact O-CA 3.37Å; A67-R80 PolarHBondContact N-O 3.35Å; A67-R80 PolarHBondContact O-N 3.32Å; A67-T82 HydrophobicContact CB-CG2 4.33Å
68Y89.8Confident82.8Confident109 Ų10978.7 Ų78.743%0.42739%0.385SS..EExtended strand (participates in β ladder)trans-94.7118.4164.6-172.5-115000107.5T70 G78 Y79Y68-T70 HydrophobicContact CD1-CG2 3.83Å; Y68-T70 HydrophobicContact CE1-CG2 3.37Å; Y68-G78 WeakPolarHBondContact CA-O 3.36Å; Y68-G78 WeakPolarHBondContact CD2-O 3.38Å; Y68-Y79 AromaticContact CD2-CD1 3.65Å; Y68-Y79 HydrophobicContact CD2-CD1 3.65Å; Y68-Y79 AromaticContact CD2-CE1 3.48Å; Y68-Y79 HydrophobicContact CD2-CE1 3.48Å; Y68-Y79 VanDerWaalsContact CD2-CE1 3.48Å; Y68-Y79 HydrophobicContact CD2-CG 4.48Å; Y68-Y79 HydrophobicContact CE2-CE1 4.14Å; Y68-Y79 HydrophobicContact CG-CD1 4.48Å; Y68-Y79 HydrophobicContact CG-CE1 4.29Å
69E85.3Confident82.8Confident64 Ų6474.2 Ų74.230%0.29936%0.364SS..EExtended strand (participates in β ladder)trans-110.2129.6-178.8-69.3-179.7-176.600108.5V33 A67 K77 G78 R80V33-E69 HydrophobicContact CG1-CB 4.45Å; V33-E69 HydrophobicContact CG2-CB 4.3Å; A67-E69 HydrophobicContact CB-CG 4.39Å; E69-K77 WeakPolarHBondContact O-CA 3.28Å; E69-G78 PolarHBondContact N-O 3.42Å; E69-G78 PolarHBondContact O-N 2.98Å; E69-G78 VanDerWaalsContact O-N 3.08Å; E69-R80 VanDerWaalsContact CD-NE 3.26Å; E69-R80 IonicContact OE1-CZ 3.4Å; E69-R80 VanDerWaalsContact OE1-CZ 3.27Å; E69-R80 IonicContact OE1-NE 3.97Å; E69-R80 PolarHBondContact OE1-NE 3Å; E69-R80 IonicContact OE1-NH2 3.92Å; E69-R80 PolarHBondContact OE1-NH2 2.72Å; E69-R80 WeakPolarHBondContact OE2-CD 3.43Å; E69-R80 IonicContact OE2-NE 3.93Å; E69-R80 PolarHBondContact OE2-NE 2.9Å; E69-R80 VanDerWaalsContact OE2-NE 3.09Å
70T82.6Confident82.7Confident77 Ų7775.2 Ų75.247%0.47237%0.365SS..EExtended strand (participates in β ladder)trans-124.699.3177.756.30000109.3Y68 K77Y68-T70 HydrophobicContact CD1-CG2 3.83Å; Y68-T70 HydrophobicContact CE1-CG2 3.37Å; T70-K77 HydrophobicContact CG2-CB 4.31Å; T70-K77 HydrophobicContact CG2-CG 4.02Å
71D69.6Low82.6Confident64 Ų6475.3 Ų75.334%0.34237%0.365SS..EExtended strand (participates in β ladder)trans-93.9105.7174.3-172.82.1000110.8R73 H74 S75 M76D71-R73 PolarHBondContact O-N 3.09Å; D71-R73 VanDerWaalsContact OD1-CB 3.29Å; D71-R73 WeakPolarHBondContact OD1-CB 3.32Å; D71-R73 PolarHBondContact OD1-N 3.34Å; D71-H74 PolarHBondContact O-N 3.22Å; D71-H74 IonicContact OD2-CD2 3.07Å; D71-H74 PolarHBondContact OD2-CD2 3.09Å; D71-H74 VanDerWaalsContact OD2-CD2 3.24Å; D71-H74 IonicContact OD2-CG 2.7Å; D71-S75 WeakPolarHBondContact O-CA 3.39Å; D71-S75 PolarHBondContact O-N 3.28Å; D71-M76 PolarHBondContact N-O 2.99Å; D71-M76 PolarHBondContact O-N 3.49Å
72N66.1Low82.5Confident142 Ų14274.1 Ų74.176%0.75936%0.361SS*.THydrogen-bonded Turntrans-63.9-19.7176.2-67.8-10.4000113
73R61.5Low82.4Confident214 Ų21471.6 Ų71.681%0.80835%0.348SS*.THydrogen-bonded Turntrans-79.1-29179.9-61.2179.9173.3-175.5-1.1113.4D71D71-R73 PolarHBondContact O-N 3.09Å; D71-R73 VanDerWaalsContact OD1-CB 3.29Å; D71-R73 WeakPolarHBondContact OD1-CB 3.32Å; D71-R73 PolarHBondContact OD1-N 3.34Å
74H61.7Low82.5Confident133 Ų13372.2 Ų72.262%0.61635%0.351SS*.THydrogen-bonded Turntrans-118.14.9-176.8-66.7-48.2000113.4D71 M76D71-H74 PolarHBondContact O-N 3.22Å; D71-H74 IonicContact OD2-CD2 3.07Å; D71-H74 PolarHBondContact OD2-CD2 3.09Å; D71-H74 VanDerWaalsContact OD2-CD2 3.24Å; D71-H74 IonicContact OD2-CG 2.7Å; H74-M76 HydrophobicContact CB-CG 4.2Å; H74-M76 PolarHBondContact O-N 3.12Å; H74-M76 VanDerWaalsContact O-N 3.08Å
75S66.9Low82.5Confident100 Ų10065.6 Ų65.670%0.69932%0.322SS*.THydrogen-bonded Turntrans55.718.7-175-149.40000114D71 K77D71-S75 WeakPolarHBondContact O-CA 3.39Å; D71-S75 PolarHBondContact O-N 3.28Å; S75-K77 PolarHBondContact O-N 3.49Å
76M70.8Confident82.6Confident115 Ų11565.8 Ų65.857%0.56732%0.323SS*.EExtended strand (participates in β ladder)trans-86.1116-179.2-69.5-168.317600109.6D71 H74D71-M76 PolarHBondContact N-O 2.99Å; D71-M76 PolarHBondContact O-N 3.49Å; H74-M76 HydrophobicContact CB-CG 4.2Å; H74-M76 PolarHBondContact O-N 3.12Å; H74-M76 VanDerWaalsContact O-N 3.08Å
77K83.9Confident82.7Confident116 Ų11665.8 Ų65.850%0.50432%0.323SS..EExtended strand (participates in β ladder)trans-125.7126.2177-61.2-179.8-177.2175.90108.8E69 T70 S75E69-K77 WeakPolarHBondContact O-CA 3.28Å; T70-K77 HydrophobicContact CG2-CB 4.31Å; T70-K77 HydrophobicContact CG2-CG 4.02Å; S75-K77 PolarHBondContact O-N 3.49Å
78G89.4Confident82.9Confident0 Ų064.5 Ų64.50%031%0.312CS..EExtended strand (participates in β ladder)trans168.6-167.8179.900000114.6V33 V34 Y68 E69V33-G78 WeakPolarHBondContact CG1-O 3.34Å; V34-G78 CarbonylContact O-C 3.01Å; V34-G78 VanDerWaalsContact O-CA 3.25Å; V34-G78 WeakPolarHBondContact O-CA 3.43Å; Y68-G78 WeakPolarHBondContact CA-O 3.36Å; Y68-G78 WeakPolarHBondContact CD2-O 3.38Å; E69-G78 PolarHBondContact N-O 3.42Å; E69-G78 PolarHBondContact O-N 2.98Å; E69-G78 VanDerWaalsContact O-N 3.08Å
79Y90.6Very high83.1Confident9 Ų959.5 Ų59.54%0.03529%0.292CS..EExtended strand (participates in β ladder)trans-96.5131.8-174.8-59-58.3000111.8I24 V34 P36 A39 F52 S53 V56 I61 V66 A67 Y68I24-Y79 HydrophobicContact CD1-CD2 4.08Å; I24-Y79 HydrophobicContact CD1-CG 3.99Å; I24-Y79 HydrophobicContact CG1-CD2 4.37Å; I24-Y79 HydrophobicContact CG1-CG 4.5Å; V34-Y79 PolarHBondContact N-O 3.13Å; V34-Y79 PolarHBondContact O-N 2.88Å; P36-Y79 HydrophobicContact CB-CE2 3.75Å; A39-Y79 HydrophobicContact CB-CD2 4.29Å; F52-Y79 AromaticContact CE1-CE2 3.99Å; F52-Y79 HydrophobicContact CE1-CE2 3.99Å; S53-Y79 WeakPolarHBondContact CA-OH 3.37Å; S53-Y79 PolarHBondContact OG-OH 2.64Å; V56-Y79 HydrophobicContact CB-CE1 4.3Å; V56-Y79 HydrophobicContact CG1-CD1 3.77Å; V56-Y79 HydrophobicContact CG1-CD2 4.49Å; V56-Y79 HydrophobicContact CG1-CE1 3.46Å; V56-Y79 VanDerWaalsContact CG1-CE1 3.46Å; V56-Y79 HydrophobicContact CG1-CE2 4.2Å; V56-Y79 HydrophobicContact CG1-CG 4.3Å; V56-Y79 HydrophobicContact CG2-CE2 4.48Å; I61-Y79 HydrophobicContact CD1-CD1 4.47Å; I61-Y79 HydrophobicContact CD1-CE1 4.09Å; V66-Y79 HydrophobicContact CG1-CD1 3.62Å; V66-Y79 HydrophobicContact CG1-CG 3.98Å; A67-Y79 WeakPolarHBondContact O-CA 3.37Å; Y68-Y79 AromaticContact CD2-CD1 3.65Å; Y68-Y79 HydrophobicContact CD2-CD1 3.65Å; Y68-Y79 AromaticContact CD2-CE1 3.48Å; Y68-Y79 HydrophobicContact CD2-CE1 3.48Å; Y68-Y79 VanDerWaalsContact CD2-CE1 3.48Å; Y68-Y79 HydrophobicContact CD2-CG 4.48Å; Y68-Y79 HydrophobicContact CE2-CE1 4.14Å; Y68-Y79 HydrophobicContact CG-CD1 4.48Å; Y68-Y79 HydrophobicContact CG-CE1 4.29Å
80R88.9Confident83.7Confident74 Ų7456.4 Ų56.428%0.27928%0.278SS..EExtended strand (participates in β ladder)trans-116132.2166.1-159.9176.563.771.16.8110L28 A67 E69L28-R80 HydrophobicContact CD2-CG 4.32Å; A67-R80 PolarHBondContact N-O 3.35Å; A67-R80 PolarHBondContact O-N 3.32Å; E69-R80 VanDerWaalsContact CD-NE 3.26Å; E69-R80 IonicContact OE1-CZ 3.4Å; E69-R80 VanDerWaalsContact OE1-CZ 3.27Å; E69-R80 IonicContact OE1-NE 3.97Å; E69-R80 PolarHBondContact OE1-NE 3Å; E69-R80 IonicContact OE1-NH2 3.92Å; E69-R80 PolarHBondContact OE1-NH2 2.72Å; E69-R80 WeakPolarHBondContact OE2-CD 3.43Å; E69-R80 IonicContact OE2-NE 3.93Å; E69-R80 PolarHBondContact OE2-NE 2.9Å; E69-R80 VanDerWaalsContact OE2-NE 3.09Å
81L90.5Very high84.3Confident1 Ų152.8 Ų52.81%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-69.5135.3176.5-170.165000109.6L21 I24 E25 L28 Y86 L89 L176L21-L81 HydrophobicContact CD1-CD1 3.43Å; L21-L81 VanDerWaalsContact CD1-CD1 3.43Å; L21-L81 HydrophobicContact CG-CD1 4.18Å; I24-L81 HydrophobicContact CG2-CB 4.41Å; E25-L81 HydrophobicContact CB-CD2 4.23Å; E25-L81 HydrophobicContact CG-CD2 4.37Å; L28-L81 HydrophobicContact CD1-CB 3.36Å; L28-L81 HydrophobicContact CD1-CD2 4.37Å; L81-Y86 HydrophobicContact CD2-CD2 3.74Å; L81-Y86 HydrophobicContact CD2-CG 4.29Å; L81-L89 HydrophobicContact CD1-CD1 4.32Å; L81-L89 HydrophobicContact CD2-CD1 3.97Å; L81-L176 HydrophobicContact CB-CD1 4.05Å; L81-L176 HydrophobicContact CD2-CD1 4.01Å; L81-L176 HydrophobicContact CG-CD1 4.14Å
82T89.9Confident85.5Confident27 Ų2750.4 Ų50.417%0.16624%0.243CC..  trans-89.4160.6171.978.50000110.1K64 L65 A67 L84 G85 Y86K64-T82 WeakPolarHBondContact O-CG2 3.32Å; K64-T82 PolarHBondContact O-OG1 2.81Å; L65-T82 PolarHBondContact O-N 3.45Å; L65-T82 PolarHBondContact O-OG1 2.98Å; L65-T82 VanDerWaalsContact O-OG1 3.13Å; A67-T82 HydrophobicContact CB-CG2 4.33Å; T82-L84 PolarHBondContact O-N 2.93Å; T82-L84 PolarHBondContact OG1-N 3.49Å; T82-G85 WeakPolarHBondContact O-CA 3.31Å; T82-G85 PolarHBondContact O-N 3Å; T82-G85 PolarHBondContact OG1-N 3.25Å; T82-G85 VanDerWaalsContact OG1-N 3.15Å; T82-Y86 PolarHBondContact O-N 2.84Å
83N89Confident86.9Confident66 Ų6647.6 Ų47.635%0.35323%0.225SC..Hα-helixtrans-54.2-40.8174.6-56.253.8000111.1G85 Y86 D87 L176N83-G85 PolarHBondContact O-N 2.93Å; N83-Y86 WeakPolarHBondContact O-CB 3.24Å; N83-Y86 PolarHBondContact O-N 3.02Å; N83-Y86 VanDerWaalsContact O-N 3.11Å; N83-D87 PolarHBondContact O-N 3.24Å; N83-L176 HydrophobicContact CB-CD2 4.43Å
84L90.8Very high88.5Confident35 Ų3537.5 Ų37.518%0.18319%0.187CC..Hα-helixtrans-63.4-38.5175.9-173.867.9000112.4I5 L65 T82 Y86 D87 Y88I5-L84 HydrophobicContact CB-CD1 4.31Å; I5-L84 HydrophobicContact CG1-CD1 4.01Å; I5-L84 HydrophobicContact CG2-CD1 4.15Å; L65-L84 HydrophobicContact CD2-CD2 4.06Å; L65-L84 HydrophobicContact CD2-CG 3.86Å; T82-L84 PolarHBondContact O-N 2.93Å; T82-L84 PolarHBondContact OG1-N 3.49Å; L84-Y86 VanDerWaalsContact C-N 3.29Å; L84-Y86 PolarHBondContact O-N 2.57Å; L84-D87 PolarHBondContact O-N 2.8Å; L84-Y88 HydrophobicContact CD1-CD2 4.08Å; L84-Y88 HydrophobicContact CD1-CE2 3.81Å; L84-Y88 HydrophobicContact CG-CD2 4.15Å; L84-Y88 HydrophobicContact CG-CE2 4.04Å; L84-Y88 WeakPolarHBondContact O-CB 3.45Å; L84-Y88 VanDerWaalsContact O-CD2 3.23Å; L84-Y88 WeakPolarHBondContact O-CD2 3.42Å; L84-Y88 PolarHBondContact O-N 3.45Å
85G92.1Very high90.1Very high0 Ų033.3 Ų33.30%017%0.167CC..Hα-helixtrans-65.1-33.6173.300000113.1L65 T82 N83 L89L65-G85 WeakPolarHBondContact O-CA 3.36Å; T82-G85 WeakPolarHBondContact O-CA 3.31Å; T82-G85 PolarHBondContact O-N 3Å; T82-G85 PolarHBondContact OG1-N 3.25Å; T82-G85 VanDerWaalsContact OG1-N 3.15Å; N83-G85 PolarHBondContact O-N 2.93Å; G85-L89 WeakPolarHBondContact O-CG 3.33Å; G85-L89 PolarHBondContact O-N 2.76Å; G85-L89 VanDerWaalsContact O-N 3.07Å
86Y93Very high91.4Very high5 Ų534.7 Ų34.72%0.0216%0.161CC..Hα-helixtrans-72.3-41.4175.9-161.7-134.4000112.1E25 L81 T82 N83 L84 Y88 L89 A90 L176 R180 R208 N209E25-Y86 HydrophobicContact CG-CE2 4.34Å; L81-Y86 HydrophobicContact CD2-CD2 3.74Å; L81-Y86 HydrophobicContact CD2-CG 4.29Å; T82-Y86 PolarHBondContact O-N 2.84Å; N83-Y86 WeakPolarHBondContact O-CB 3.24Å; N83-Y86 PolarHBondContact O-N 3.02Å; N83-Y86 VanDerWaalsContact O-N 3.11Å; L84-Y86 VanDerWaalsContact C-N 3.29Å; L84-Y86 PolarHBondContact O-N 2.57Å; Y86-Y88 VanDerWaalsContact C-N 3.32Å; Y86-Y88 PolarHBondContact O-N 3.03Å; Y86-L89 WeakPolarHBondContact O-CB 3.23Å; Y86-L89 PolarHBondContact O-N 3.3Å; Y86-L89 VanDerWaalsContact O-N 3.17Å; Y86-A90 PolarHBondContact O-N 2.87Å; Y86-L176 HydrophobicContact CD1-CB 3.93Å; Y86-L176 HydrophobicContact CD1-CD2 3.79Å; Y86-L176 HydrophobicContact CD1-CG 4.3Å; Y86-L176 HydrophobicContact CE1-CB 3.73Å; Y86-L176 HydrophobicContact CE1-CD2 4.41Å; Y86-L176 WeakPolarHBondContact CE1-O 3.21Å; Y86-L176 HydrophobicContact CE2-CB 4.5Å; Y86-L176 HydrophobicContact CG-CB 4.35Å; Y86-L176 HydrophobicContact CG-CD1 4.34Å; Y86-L176 HydrophobicContact CG-CD2 4.13Å; Y86-L176 PolarHBondContact OH-O 2.77Å; Y86-R180 PolarHBondContact OH-NE 2.97Å; Y86-R180 PolarHBondContact OH-NH2 2.84Å; Y86-R208 HydrophobicContact CD2-CB 4.48Å; Y86-R208 HydrophobicContact CE1-CB 4.17Å; Y86-R208 HydrophobicContact CE2-CB 3.95Å; Y86-R208 HydrophobicContact CE2-CG 3.94Å; Y86-N209 HydrophobicContact CD1-CB 3.97Å; Y86-N209 WeakPolarHBondContact CD1-OD1 3.2Å; Y86-N209 HydrophobicContact CE1-CB 3.81Å
87D93.9Very high92.4Very high2 Ų231 Ų311%0.01115%0.146CC..Hα-helixtrans-60.2-43.2172.2-54.6-31000111.3I5 N83 L84 L89 A90 L91 F149 R151 N209I5-D87 HydrophobicContact CD1-CB 3.95Å; N83-D87 PolarHBondContact O-N 3.24Å; L84-D87 PolarHBondContact O-N 2.8Å; D87-L89 VanDerWaalsContact C-N 3.32Å; D87-L89 PolarHBondContact O-N 3.18Å; D87-A90 WeakPolarHBondContact O-CB 3.19Å; D87-A90 PolarHBondContact O-N 3.28Å; D87-L91 WeakPolarHBondContact O-CB 3.34Å; D87-L91 WeakPolarHBondContact O-CG 3.39Å; D87-L91 PolarHBondContact O-N 2.81Å; D87-F149 HydrophobicContact CB-CD1 4.02Å; D87-F149 HydrophobicContact CB-CE1 3.75Å; D87-F149 WeakPolarHBondContact OD1-CD1 3.44Å; D87-R151 VanDerWaalsContact CG-NH1 3.26Å; D87-R151 IonicContact OD1-CZ 2.69Å; D87-R151 IonicContact OD1-NH1 3.71Å; D87-R151 PolarHBondContact OD1-NH1 3.29Å; D87-R151 IonicContact OD1-NH2 3.49Å; D87-R151 PolarHBondContact OD1-NH2 3.48Å; D87-R151 IonicContact OD2-CZ 3.2Å; D87-R151 VanDerWaalsContact OD2-CZ 3.29Å; D87-R151 IonicContact OD2-NH1 2.64Å; D87-R151 PolarHBondContact OD2-NH1 2.95Å; D87-R151 IonicContact OD2-NH2 2.9Å; D87-R151 PolarHBondContact OD2-NH2 2.86Å; D87-N209 PolarHBondContact OD1-ND2 3.07Å
88Y94.5Very high92.9Very high2 Ų230.5 Ų30.51%0.00815%0.146CC..Hα-helixtrans-61.3-39.2175.7-93.4-128.9000111.6I5 K6 F10 I13 W18 L65 L84 Y86 N92I5-Y88 HydrophobicContact CG2-CD2 4.12Å; I5-Y88 HydrophobicContact CG2-CE2 3.67Å; K6-Y88 PolarHBondContact O-OH 3.33Å; F10-Y88 HydrophobicContact CB-CE1 4.08Å; F10-Y88 AromaticContact CD2-CD1 3.62Å; F10-Y88 HydrophobicContact CD2-CD1 3.62Å; F10-Y88 HydrophobicContact CD2-CD2 4.39Å; F10-Y88 AromaticContact CD2-CE1 3.77Å; F10-Y88 HydrophobicContact CD2-CE1 3.77Å; F10-Y88 AromaticContact CD2-CG 3.96Å; F10-Y88 HydrophobicContact CD2-CG 3.96Å; F10-Y88 HydrophobicContact CE2-CD1 4.18Å; F10-Y88 HydrophobicContact CE2-CG 4.25Å; F10-Y88 HydrophobicContact CG-CD1 4.49Å; F10-Y88 HydrophobicContact CG-CE1 4.33Å; I13-Y88 HydrophobicContact CD1-CD1 3.53Å; I13-Y88 HydrophobicContact CD1-CE1 3.56Å; W18-Y88 AromaticContact CH2-CD1 3.82Å; W18-Y88 HydrophobicContact CH2-CD1 3.82Å; W18-Y88 HydrophobicContact CH2-CG 4.29Å; W18-Y88 WeakPolarHBondContact CH2-O 3.24Å; W18-Y88 WeakPolarHBondContact CZ3-O 3.1Å; L65-Y88 HydrophobicContact CD1-CD1 3.62Å; L65-Y88 HydrophobicContact CD1-CE1 4.03Å; L65-Y88 HydrophobicContact CD1-CG 4.26Å; L65-Y88 HydrophobicContact CD2-CD1 3.63Å; L65-Y88 HydrophobicContact CD2-CD2 3.86Å; L65-Y88 HydrophobicContact CD2-CE1 3.82Å; L65-Y88 HydrophobicContact CD2-CE2 4.06Å; L65-Y88 HydrophobicContact CD2-CG 3.64Å; L65-Y88 HydrophobicContact CG-CD1 4.29Å; L84-Y88 HydrophobicContact CD1-CD2 4.08Å; L84-Y88 HydrophobicContact CD1-CE2 3.81Å; L84-Y88 HydrophobicContact CG-CD2 4.15Å; L84-Y88 HydrophobicContact CG-CE2 4.04Å; L84-Y88 WeakPolarHBondContact O-CB 3.45Å; L84-Y88 VanDerWaalsContact O-CD2 3.23Å; L84-Y88 WeakPolarHBondContact O-CD2 3.42Å; L84-Y88 PolarHBondContact O-N 3.45Å; Y86-Y88 VanDerWaalsContact C-N 3.32Å; Y86-Y88 PolarHBondContact O-N 3.03Å; Y88-N92 WeakPolarHBondContact O-CB 3.48Å; Y88-N92 PolarHBondContact O-N 3.22Å
89L95.1Very high93.1Very high3 Ų330.9 Ų30.92%0.01615%0.148CC..Hα-helixtrans-67.3-39173.6-74.3170.4000112.6W18 L21 E25 L81 G85 Y86 D87 Q93 R208W18-L89 HydrophobicContact CE3-CD2 4.34Å; L21-L89 HydrophobicContact CB-CD2 4.21Å; L21-L89 HydrophobicContact CD2-CD1 4.44Å; L21-L89 HydrophobicContact CD2-CD2 3.85Å; L21-L89 HydrophobicContact CD2-CG 3.77Å; L21-L89 HydrophobicContact CG-CD1 4.03Å; L21-L89 HydrophobicContact CG-CD2 3.87Å; L21-L89 HydrophobicContact CG-CG 3.86Å; E25-L89 HydrophobicContact CB-CD1 3.83Å; E25-L89 HydrophobicContact CG-CD1 4.2Å; L81-L89 HydrophobicContact CD1-CD1 4.32Å; L81-L89 HydrophobicContact CD2-CD1 3.97Å; G85-L89 WeakPolarHBondContact O-CG 3.33Å; G85-L89 PolarHBondContact O-N 2.76Å; G85-L89 VanDerWaalsContact O-N 3.07Å; Y86-L89 WeakPolarHBondContact O-CB 3.23Å; Y86-L89 PolarHBondContact O-N 3.3Å; Y86-L89 VanDerWaalsContact O-N 3.17Å; D87-L89 VanDerWaalsContact C-N 3.32Å; D87-L89 PolarHBondContact O-N 3.18Å; L89-Q93 PolarHBondContact O-N 3.48Å; L89-R208 PolarHBondContact O-NH1 3.44Å; L89-R208 VanDerWaalsContact O-NH1 3.08Å
90A96Very high93.4Very high0 Ų030.6 Ų30.60%015%0.147CC..Hα-helixtrans-62.4-53.6175.500000111.1Y86 D87 N92 Q93 L94 R208 A210Y86-A90 PolarHBondContact O-N 2.87Å; D87-A90 WeakPolarHBondContact O-CB 3.19Å; D87-A90 PolarHBondContact O-N 3.28Å; A90-N92 PolarHBondContact O-N 2.97Å; A90-Q93 PolarHBondContact O-N 2.81Å; A90-Q93 VanDerWaalsContact O-N 3.13Å; A90-L94 WeakPolarHBondContact O-CG 3.5Å; A90-L94 PolarHBondContact O-N 2.99Å; A90-R208 HydrophobicContact CB-CB 4.12Å; A90-A210 HydrophobicContact CB-CB 4.05Å
91L95.7Very high93.7Very high0 Ų029.7 Ų29.70%016%0.155CC..Hα-helixtrans-59.2-42.7177.2-73.6167.7000112.3I5 M7 F10 D87 Q93 L94 F95 L100 L103 F149I5-L91 HydrophobicContact CG2-CD1 4.09Å; M7-L91 HydrophobicContact CE-CD1 3.75Å; F10-L91 HydrophobicContact CE2-CB 3.82Å; F10-L91 HydrophobicContact CZ-CB 4.16Å; D87-L91 WeakPolarHBondContact O-CB 3.34Å; D87-L91 WeakPolarHBondContact O-CG 3.39Å; D87-L91 PolarHBondContact O-N 2.81Å; L91-Q93 VanDerWaalsContact C-N 3.26Å; L91-Q93 PolarHBondContact O-N 2.74Å; L91-L94 PolarHBondContact O-N 3.36Å; L91-L94 VanDerWaalsContact O-N 3.14Å; L91-F95 HydrophobicContact CB-CD2 4.23Å; L91-F95 HydrophobicContact CB-CE2 3.85Å; L91-F95 HydrophobicContact CD2-CE2 4.25Å; L91-F95 HydrophobicContact CD2-CZ 4.2Å; L91-F95 WeakPolarHBondContact O-CD2 3.32Å; L91-F95 WeakPolarHBondContact O-CG 3.23Å; L91-F95 PolarHBondContact O-N 3.3Å; L91-L100 HydrophobicContact CD2-CD1 4.05Å; L91-L103 HydrophobicContact CD1-CD2 3.92Å; L91-L103 HydrophobicContact CD2-CD1 4.25Å; L91-L103 HydrophobicContact CD2-CD2 4.34Å; L91-F149 HydrophobicContact CD1-CZ 3.96Å; L91-F149 HydrophobicContact CD2-CZ 3.97Å; L91-F149 HydrophobicContact CG-CE1 4.29Å; L91-F149 HydrophobicContact CG-CZ 3.86Å
92N95.3Very high93.8Very high15 Ų1532 Ų328%0.0817%0.172CC..Hα-helixtrans-62.2-33.2177.2-173.530.9000112.5F10 W18 Y88 A90 K96F10-N92 HydrophobicContact CE2-CB 4.48Å; F10-N92 HydrophobicContact CZ-CB 3.86Å; W18-N92 HydrophobicContact CD2-CB 4.4Å; W18-N92 HydrophobicContact CE3-CB 4.02Å; W18-N92 HydrophobicContact CH2-CB 3.72Å; W18-N92 HydrophobicContact CZ2-CB 4.13Å; W18-N92 HydrophobicContact CZ3-CB 3.67Å; Y88-N92 WeakPolarHBondContact O-CB 3.48Å; Y88-N92 PolarHBondContact O-N 3.22Å; A90-N92 PolarHBondContact O-N 2.97Å; N92-K96 PolarHBondContact ND2-NZ 2.91Å; N92-K96 VanDerWaalsContact O-CB 3.25Å; N92-K96 WeakPolarHBondContact O-CB 3.41Å; N92-K96 WeakPolarHBondContact O-CD 3.26Å; N92-K96 WeakPolarHBondContact O-CG 3.33Å; N92-K96 PolarHBondContact O-N 3.48Å; N92-K96 WeakPolarHBondContact OD1-CE 3.36Å; N92-K96 PolarHBondContact OD1-NZ 3.38Å
93Q95.2Very high94.1Very high82 Ų8231.5 Ų31.538%0.38317%0.168SC..Hα-helixtrans-72.6-43.5172.4-172.257.741.300111.5L89 A90 L91 K96 S97 N207L89-Q93 PolarHBondContact O-N 3.48Å; A90-Q93 PolarHBondContact O-N 2.81Å; A90-Q93 VanDerWaalsContact O-N 3.13Å; L91-Q93 VanDerWaalsContact C-N 3.26Å; L91-Q93 PolarHBondContact O-N 2.74Å; Q93-K96 PolarHBondContact O-N 3.01Å; Q93-S97 PolarHBondContact O-N 3.36Å; Q93-S97 PolarHBondContact O-OG 2.84Å; Q93-N207 WeakPolarHBondContact CG-ND2 3.33Å
94L95.4Very high94.2Very high2 Ų230.2 Ų30.21%0.0117%0.17CC..Hα-helixtrans-64-42.4-179.3-68.2168.3000112.6A90 L91 S97 E98 Q99 L100 T205 N207 A210 V212A90-L94 WeakPolarHBondContact O-CG 3.5Å; A90-L94 PolarHBondContact O-N 2.99Å; L91-L94 PolarHBondContact O-N 3.36Å; L91-L94 VanDerWaalsContact O-N 3.14Å; L94-S97 PolarHBondContact O-N 3.15Å; L94-E98 PolarHBondContact O-N 3.36Å; L94-Q99 HydrophobicContact CB-CB 4.38Å; L94-Q99 HydrophobicContact CD2-CB 3.97Å; L94-Q99 HydrophobicContact CD2-CG 4.21Å; L94-Q99 WeakPolarHBondContact O-CB 3.2Å; L94-Q99 PolarHBondContact O-N 3.45Å; L94-L100 HydrophobicContact CB-CD1 3.94Å; L94-L100 HydrophobicContact CB-CG 4.13Å; L94-L100 HydrophobicContact CD1-CD1 3.91Å; L94-L100 PolarHBondContact O-N 2.92Å; L94-T205 HydrophobicContact CD2-CG2 3.6Å; L94-N207 HydrophobicContact CD1-CB 4.49Å; L94-N207 HydrophobicContact CD2-CB 4.12Å; L94-N207 HydrophobicContact CG-CB 4.1Å; L94-A210 HydrophobicContact CD1-CB 4.31Å; L94-V212 HydrophobicContact CD1-CG2 3.8Å; L94-V212 HydrophobicContact CD2-CG2 3.96Å
95F95.2Very high94.3Very high45 Ų4533 Ų3320%0.19719%0.189CC..Hα-helixtrans-65.7-42173.2-63.6-50.9000112M7 F10 L91 S97 E98 L100 L103M7-F95 HydrophobicContact SD-CE2 4.22Å; M7-F95 HydrophobicContact SD-CZ 4.24Å; F10-F95 HydrophobicContact CD1-CE2 4.49Å; F10-F95 AromaticContact CE1-CD2 3.64Å; F10-F95 HydrophobicContact CE1-CD2 3.64Å; F10-F95 AromaticContact CE1-CE2 3.89Å; F10-F95 HydrophobicContact CE1-CE2 3.89Å; F10-F95 HydrophobicContact CE2-CD2 4.45Å; F10-F95 HydrophobicContact CE2-CE2 4.25Å; F10-F95 AromaticContact CZ-CD2 3.56Å; F10-F95 HydrophobicContact CZ-CD2 3.56Å; F10-F95 AromaticContact CZ-CE2 3.75Å; F10-F95 HydrophobicContact CZ-CE2 3.75Å; L91-F95 HydrophobicContact CB-CD2 4.23Å; L91-F95 HydrophobicContact CB-CE2 3.85Å; L91-F95 HydrophobicContact CD2-CE2 4.25Å; L91-F95 HydrophobicContact CD2-CZ 4.2Å; L91-F95 WeakPolarHBondContact O-CD2 3.32Å; L91-F95 WeakPolarHBondContact O-CG 3.23Å; L91-F95 PolarHBondContact O-N 3.3Å; F95-S97 VanDerWaalsContact C-N 3.27Å; F95-S97 PolarHBondContact O-N 3.12Å; F95-E98 PolarHBondContact O-N 3.41Å; F95-E98 VanDerWaalsContact O-N 3.17Å; F95-L100 HydrophobicContact CD1-CB 3.77Å; F95-L100 WeakPolarHBondContact CD1-O 3.47Å; F95-L100 HydrophobicContact CE1-CB 3.71Å; F95-L103 HydrophobicContact CZ-CB 4.35Å
96K93.6Very high94.3Very high130 Ų13035.5 Ų35.557%0.56520%0.201SC*.Hα-helixtrans-71.1-16.8178.5-78174.4177.2159.10115.3N92 Q93N92-K96 PolarHBondContact ND2-NZ 2.91Å; N92-K96 VanDerWaalsContact O-CB 3.25Å; N92-K96 WeakPolarHBondContact O-CB 3.41Å; N92-K96 WeakPolarHBondContact O-CD 3.26Å; N92-K96 WeakPolarHBondContact O-CG 3.33Å; N92-K96 PolarHBondContact O-N 3.48Å; N92-K96 WeakPolarHBondContact OD1-CE 3.36Å; N92-K96 PolarHBondContact OD1-NZ 3.38Å; Q93-K96 PolarHBondContact O-N 3.01Å
97S93.4Very high94.1Very high37 Ų3739 Ų3926%0.25922%0.219SC..THydrogen-bonded Turntrans-105.516.7174490000111.9Q93 L94 F95 Q99Q93-S97 PolarHBondContact O-N 3.36Å; Q93-S97 PolarHBondContact O-OG 2.84Å; L94-S97 PolarHBondContact O-N 3.15Å; F95-S97 VanDerWaalsContact C-N 3.27Å; F95-S97 PolarHBondContact O-N 3.12Å; S97-Q99 PolarHBondContact O-N 3.47Å; S97-Q99 PolarHBondContact O-NE2 3.28Å; S97-Q99 WeakPolarHBondContact OG-CG 3.47Å
98E93.7Very high93.7Very high106 Ų10640.2 Ų40.250%0.49523%0.231SC..THydrogen-bonded Turntrans53.727.1175-62.8166168.900113L94 F95 G121 A122 R123 C124L94-E98 PolarHBondContact O-N 3.36Å; F95-E98 PolarHBondContact O-N 3.41Å; F95-E98 VanDerWaalsContact O-N 3.17Å; E98-G121 CarbonylContact O-C 3.58Å; E98-G121 WeakPolarHBondContact O-CA 3.38Å; E98-A122 PolarHBondContact O-N 2.81Å; E98-R123 HydrophobicContact CB-CB 3.89Å; E98-R123 HydrophobicContact CB-CG 3.88Å; E98-R123 CarbonylContact O-C 3.57Å; E98-R123 WeakPolarHBondContact O-CA 3.47Å; E98-R123 PolarHBondContact O-N 2.83Å; E98-R123 VanDerWaalsContact OE2-CD 3.27Å; E98-R123 WeakPolarHBondContact OE2-CD 3.33Å; E98-R123 WeakPolarHBondContact OE2-CG 3.07Å; E98-C124 PolarHBondContact O-N 2.98Å
99Q94.4Very high93.3Very high7 Ų742.9 Ų42.93%0.03325%0.254CS..SBendtrans-79.7-35.4177.2-58.9-61.6-59.300111L94 S97 G121 R123 C124 T205L94-Q99 HydrophobicContact CB-CB 4.38Å; L94-Q99 HydrophobicContact CD2-CB 3.97Å; L94-Q99 HydrophobicContact CD2-CG 4.21Å; L94-Q99 WeakPolarHBondContact O-CB 3.2Å; L94-Q99 PolarHBondContact O-N 3.45Å; S97-Q99 PolarHBondContact O-N 3.47Å; S97-Q99 PolarHBondContact O-NE2 3.28Å; S97-Q99 WeakPolarHBondContact OG-CG 3.47Å; Q99-G121 PolarHBondContact O-N 3.08Å; Q99-G121 VanDerWaalsContact O-N 3.09Å; Q99-R123 PolarHBondContact NE2-O 2.92Å; Q99-R123 PolarHBondContact OE1-O 2.86Å; Q99-C124 VanDerWaalsContact O-CB 3.25Å; Q99-C124 WeakPolarHBondContact O-CB 3.43Å; Q99-C124 PolarHBondContact O-SG 3.07Å; Q99-C124 VanDerWaalsContact O-SG 3.36Å; Q99-T205 HydrophobicContact CB-CG2 3.97Å; Q99-T205 HydrophobicContact CG-CG2 3.95Å
100L96Very high92.5Very high4 Ų444.2 Ų44.22%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-123.2149.2174.2-61.4177.8000109.1L91 L94 F95 A118 T119 V145 V147 V212L91-L100 HydrophobicContact CD2-CD1 4.05Å; L94-L100 HydrophobicContact CB-CD1 3.94Å; L94-L100 HydrophobicContact CB-CG 4.13Å; L94-L100 HydrophobicContact CD1-CD1 3.91Å; L94-L100 PolarHBondContact O-N 2.92Å; F95-L100 HydrophobicContact CD1-CB 3.77Å; F95-L100 WeakPolarHBondContact CD1-O 3.47Å; F95-L100 HydrophobicContact CE1-CB 3.71Å; L100-A118 HydrophobicContact CD2-CB 3.97Å; L100-T119 WeakPolarHBondContact CA-O 3.39Å; L100-V145 HydrophobicContact CD2-CG2 3.59Å; L100-V147 HydrophobicContact CD1-CG2 3.74Å; L100-V147 HydrophobicContact CD2-CG2 4.07Å; L100-V212 HydrophobicContact CD2-CG1 3.88Å; L100-V212 HydrophobicContact CD2-CG2 4.45Å
101A94.6Very high91.7Very high55 Ų5549 Ų4946%0.45529%0.289SS..EExtended strand (participates in β ladder)trans-103-37.616900000111.7T119A101-T119 PolarHBondContact N-O 2.76Å
102S94Very high91.1Very high50 Ų5050.3 Ų50.335%0.3530%0.295SS..EExtended strand (participates in β ladder)trans-149.8157.4174.677.60000112.9A118 T119S102-A118 WeakPolarHBondContact O-CA 3.46Å; S102-A118 VanDerWaalsContact O-CB 3.26Å; S102-A118 WeakPolarHBondContact O-CB 3.3Å; S102-T119 PolarHBondContact N-OG1 3.04Å; S102-T119 PolarHBondContact O-N 3.09Å; S102-T119 PolarHBondContact OG-OG1 3.46Å
103L94.6Very high90.9Very high16 Ų1650 Ų508%0.08429%0.294CS..EExtended strand (participates in β ladder)trans-104.3127.9167.4-172.874.5000108.8I5 M7 L91 F95 Y116 A118 V147I5-L103 HydrophobicContact CB-CD2 4.29Å; I5-L103 HydrophobicContact CD1-CD2 4.46Å; I5-L103 HydrophobicContact CG2-CD2 4.23Å; M7-L103 HydrophobicContact CE-CD2 3.92Å; M7-L103 HydrophobicContact CG-CB 4.06Å; M7-L103 HydrophobicContact SD-CB 3.99Å; M7-L103 HydrophobicContact SD-CD2 4.39Å; L91-L103 HydrophobicContact CD1-CD2 3.92Å; L91-L103 HydrophobicContact CD2-CD1 4.25Å; L91-L103 HydrophobicContact CD2-CD2 4.34Å; F95-L103 HydrophobicContact CZ-CB 4.35Å; L103-Y116 HydrophobicContact CD1-CD1 4.11Å; L103-Y116 HydrophobicContact CD1-CG 4.02Å; L103-Y116 HydrophobicContact CD2-CD1 4.01Å; L103-Y116 HydrophobicContact CD2-CE1 4.25Å; L103-Y116 HydrophobicContact CD2-CG 4.44Å; L103-Y116 HydrophobicContact CG-CD1 4.02Å; L103-Y116 HydrophobicContact CG-CG 4.42Å; L103-A118 HydrophobicContact CD1-CB 4.2Å; L103-V147 HydrophobicContact CD1-CB 4.33Å; L103-V147 HydrophobicContact CD1-CG2 4.22Å
104G92.4Very high90.7Very high38 Ų3846.2 Ų46.239%0.39228%0.277SS..EExtended strand (participates in β ladder)trans-96.2-140.717900000113.1I117G104-I117 CarbonylContact C-O 3.6Å; G104-I117 VanDerWaalsContact CA-O 3.29Å; G104-I117 WeakPolarHBondContact CA-O 3.5Å; G104-I117 PolarHBondContact N-O 3.05Å
105T91.7Very high90.6Very high95 Ų9547.8 Ų47.858%0.58329%0.286SS*.EExtended strand (participates in β ladder)trans-78.2156.7-177.647.90000113Y116 I117T105-Y116 WeakPolarHBondContact O-CA 3.22Å; T105-Y116 WeakPolarHBondContact O-CD1 3.29Å; T105-I117 PolarHBondContact O-N 3.38Å; T105-I117 WeakPolarHBondContact OG1-CG2 3.35Å
106M92.1Very high90.7Very high51 Ų5145.6 Ų45.625%0.25128%0.277SS..EExtended strand (participates in β ladder)trans-74.7122.8164.5179.2-174.4-77.500108.3P2 G108 A109 D114 V115 Y116P2-M106 HydrophobicContact CB-CE 4.33Å; P2-M106 HydrophobicContact CG-CE 4.05Å; P2-M106 HydrophobicContact CG-SD 4.01Å; M106-G108 WeakPolarHBondContact CG-O 3.4Å; M106-A109 HydrophobicContact SD-CB 3.82Å; M106-D114 HydrophobicContact CE-CB 4.18Å; M106-V115 CarbonylContact C-O 3.6Å; M106-V115 WeakPolarHBondContact CA-O 3.36Å; M106-Y116 HydrophobicContact CB-CD1 4.17Å; M106-Y116 HydrophobicContact CB-CE1 3.8Å; M106-Y116 HydrophobicContact CB-CE2 4.4Å; M106-Y116 HydrophobicContact CE-CE2 3.87Å; M106-Y116 VanDerWaalsContact CE-OH 3.29Å; M106-Y116 WeakPolarHBondContact CE-OH 3.43Å; M106-Y116 HydrophobicContact CG-CE2 4.48Å
107I90.1Very high90.7Very high80 Ų8041.3 Ų41.341%0.4126%0.259SS..EExtended strand (participates in β ladder)trans-100-21.9177.760.6173.5000112.5V115 I117 V146I107-V115 HydrophobicContact CD1-CG1 3.91Å; I107-V115 HydrophobicContact CG1-CB 4.14Å; I107-V115 HydrophobicContact CG1-CG1 3.76Å; I107-V115 PolarHBondContact N-O 2.84Å; I107-I117 HydrophobicContact CG2-CB 4.1Å; I107-I117 HydrophobicContact CG2-CG2 4.24Å; I107-V146 HydrophobicContact CD1-CG2 4.19Å
108G85.4Confident90.8Very high26 Ų2639.7 Ų39.727%0.26825%0.249SC..EExtended strand (participates in β ladder)trans-149.8150.9176.600000113M106 V115M106-G108 WeakPolarHBondContact CG-O 3.4Å; G108-V115 PolarHBondContact N-O 2.87Å; G108-V115 VanDerWaalsContact N-O 3.12Å; G108-V115 PolarHBondContact O-N 3.28Å
109A85.7Confident91Very high59 Ų5936.5 Ų36.549%0.48824%0.236SC..EExtended strand (participates in β ladder)trans-140.1106174.700000109.6P2 M106P2-A109 HydrophobicContact CG-CB 4.08Å; M106-A109 HydrophobicContact SD-CB 3.82Å
110G78.6Confident91Very high30 Ų3036.1 Ų36.131%0.30924%0.235SC..  trans-95.7174.8-176.700000114.2E112 S113 R154G110-E112 VanDerWaalsContact C-N 3.26Å; G110-E112 PolarHBondContact O-N 3.45Å; G110-S113 PolarHBondContact N-O 3.43Å; G110-R154 WeakPolarHBondContact O-CD 3.25Å; G110-R154 PolarHBondContact O-NH1 2.76Å
111K78.9Confident91Very high100 Ų10036.1 Ų36.144%0.43524%0.235SC..SBendtrans-59-37.6170.3-70.4175.8175.41730110.8R154 T155 S382 E386K111-R154 WeakPolarHBondContact O-CD 3.42Å; K111-T155 HydrophobicContact CB-CG2 4.12Å; K111-T155 HydrophobicContact CG-CG2 4.3Å; K111-S382 PolarHBondContact NZ-OG 2.7Å; K111-E386 IonicContact NZ-OE1 3.2Å; K111-E386 PolarHBondContact NZ-OE1 2.88Å
112E82.7Confident90.8Very high29 Ų2935.6 Ų35.614%0.13623%0.231CC..SBendtrans-122.96.5-178-55.7-158.7153.900115.7G110 R151 Q375 S378G110-E112 VanDerWaalsContact C-N 3.26Å; G110-E112 PolarHBondContact O-N 3.45Å; E112-R151 WeakPolarHBondContact O-CA 3.36Å; E112-R151 WeakPolarHBondContact O-CB 3.47Å; E112-R151 PolarHBondContact O-N 3.01Å; E112-Q375 WeakPolarHBondContact OE2-CG 3.39Å; E112-Q375 PolarHBondContact OE2-NE2 3.01Å; E112-S378 VanDerWaalsContact OE1-CB 3.24Å; E112-S378 WeakPolarHBondContact OE1-CB 3.43Å; E112-S378 PolarHBondContact OE1-OG 3.37Å
113S90.4Very high90.7Very high8 Ų836.8 Ų36.86%0.05623%0.228CC..EExtended strand (participates in β ladder)trans-147.3161.6-177.761.20000114.3G110 F149 R154G110-S113 PolarHBondContact N-O 3.43Å; S113-F149 CarbonylContact C-O 3.56Å; S113-F149 VanDerWaalsContact CA-O 3.25Å; S113-F149 WeakPolarHBondContact CA-O 3.37Å; S113-R154 PolarHBondContact O-NH1 3.12Å
114D92.7Very high90.5Very high2 Ų236 Ų361%0.01122%0.224CC..EExtended strand (participates in β ladder)trans-122.1139.1158.6-66.3-43.8000108.9M106 Y116 K148 F149 R151 R154M106-D114 HydrophobicContact CE-CB 4.18Å; D114-Y116 HydrophobicContact CB-CD2 4.41Å; D114-Y116 HydrophobicContact CB-CE2 4.03Å; D114-K148 CarbonylContact O-C 3.58Å; D114-K148 WeakPolarHBondContact O-CA 3.27Å; D114-F149 HydrophobicContact CB-CB 4.45Å; D114-F149 PolarHBondContact N-O 3.42Å; D114-F149 PolarHBondContact O-N 2.98Å; D114-R151 IonicContact OD2-CZ 2.76Å; D114-R151 VanDerWaalsContact OD2-CZ 3.29Å; D114-R151 IonicContact OD2-NE 2.7Å; D114-R151 PolarHBondContact OD2-NE 2.69Å; D114-R151 IonicContact OD2-NH2 2.87Å; D114-R151 PolarHBondContact OD2-NH2 3.06Å; D114-R154 IonicContact OD1-CZ 3.73Å; D114-R154 IonicContact OD1-NH1 2.68Å; D114-R154 PolarHBondContact OD1-NH1 3.22Å; D114-R154 IonicContact OD1-NH2 3.18Å; D114-R154 PolarHBondContact OD1-NH2 2.97Å; D114-R154 IonicContact OD2-CZ 3.26Å; D114-R154 IonicContact OD2-NH2 2.71Å; D114-R154 PolarHBondContact OD2-NH2 2.88Å
115V93.6Very high90.3Very high35 Ų3534.4 Ų34.421%0.21221%0.208CC..EExtended strand (participates in β ladder)trans-120.5125.7-178.5-168.90000109.7M106 I107 G108 V146 K148M106-V115 CarbonylContact C-O 3.6Å; M106-V115 WeakPolarHBondContact CA-O 3.36Å; I107-V115 HydrophobicContact CD1-CG1 3.91Å; I107-V115 HydrophobicContact CG1-CB 4.14Å; I107-V115 HydrophobicContact CG1-CG1 3.76Å; I107-V115 PolarHBondContact N-O 2.84Å; G108-V115 PolarHBondContact N-O 2.87Å; G108-V115 VanDerWaalsContact N-O 3.12Å; G108-V115 PolarHBondContact O-N 3.28Å; V115-V146 HydrophobicContact CG1-CG1 3.47Å; V115-V146 VanDerWaalsContact CG1-CG1 3.47Å; V115-K148 HydrophobicContact CG2-CG 4.36Å
116Y95.6Very high90Very high0 Ų033.1 Ų33.10%019%0.192CC..EExtended strand (participates in β ladder)trans-119.6146.4-179.3-79.2-97.7000111.3C4 I5 L103 T105 M106 D114 V146 V147 F149C4-Y116 WeakPolarHBondContact CA-OH 3.36Å; C4-Y116 PolarHBondContact SG-OH 2.78Å; I5-Y116 HydrophobicContact CD1-CE2 3.84Å; I5-Y116 HydrophobicContact CG1-CE2 4.23Å; I5-Y116 PolarHBondContact N-OH 2.69Å; L103-Y116 HydrophobicContact CD1-CD1 4.11Å; L103-Y116 HydrophobicContact CD1-CG 4.02Å; L103-Y116 HydrophobicContact CD2-CD1 4.01Å; L103-Y116 HydrophobicContact CD2-CE1 4.25Å; L103-Y116 HydrophobicContact CD2-CG 4.44Å; L103-Y116 HydrophobicContact CG-CD1 4.02Å; L103-Y116 HydrophobicContact CG-CG 4.42Å; T105-Y116 WeakPolarHBondContact O-CA 3.22Å; T105-Y116 WeakPolarHBondContact O-CD1 3.29Å; M106-Y116 HydrophobicContact CB-CD1 4.17Å; M106-Y116 HydrophobicContact CB-CE1 3.8Å; M106-Y116 HydrophobicContact CB-CE2 4.4Å; M106-Y116 HydrophobicContact CE-CE2 3.87Å; M106-Y116 VanDerWaalsContact CE-OH 3.29Å; M106-Y116 WeakPolarHBondContact CE-OH 3.43Å; M106-Y116 HydrophobicContact CG-CE2 4.48Å; D114-Y116 HydrophobicContact CB-CD2 4.41Å; D114-Y116 HydrophobicContact CB-CE2 4.03Å; Y116-V146 CarbonylContact O-C 3.54Å; Y116-V146 WeakPolarHBondContact O-CA 3.28Å; Y116-V147 PolarHBondContact N-O 3.38Å; Y116-V147 PolarHBondContact O-N 2.7Å; Y116-F149 AromaticContact CD2-CD2 3.81Å; Y116-F149 HydrophobicContact CD2-CD2 3.81Å; Y116-F149 AromaticContact CD2-CE2 3.81Å; Y116-F149 HydrophobicContact CD2-CE2 3.81Å; Y116-F149 HydrophobicContact CE2-CD2 4.21Å; Y116-F149 HydrophobicContact CE2-CE2 4.3Å; Y116-F149 HydrophobicContact CG-CE2 4.44Å
117I95.1Very high89.2Confident39 Ų3935.6 Ų35.620%0.221%0.206CC..EExtended strand (participates in β ladder)trans-83148.1159.5-162.4168.8000109.5G104 T105 I107 A144 V145 Y215G104-I117 CarbonylContact C-O 3.6Å; G104-I117 VanDerWaalsContact CA-O 3.29Å; G104-I117 WeakPolarHBondContact CA-O 3.5Å; G104-I117 PolarHBondContact N-O 3.05Å; T105-I117 PolarHBondContact O-N 3.38Å; T105-I117 WeakPolarHBondContact OG1-CG2 3.35Å; I107-I117 HydrophobicContact CG2-CB 4.1Å; I107-I117 HydrophobicContact CG2-CG2 4.24Å; I117-A144 HydrophobicContact CD1-CB 4.37Å; I117-V145 CarbonylContact C-O 3.59Å; I117-Y215 HydrophobicContact CD1-CD2 4.1Å; I117-Y215 HydrophobicContact CD1-CE2 3.97Å; I117-Y215 HydrophobicContact CG1-CD2 4.39Å
118A95.5Very high88.3Confident4 Ų434.4 Ų34.43%0.03321%0.205CC..EExtended strand (participates in β ladder)trans-148.1172.3-179.100000109.7L100 S102 L103 V145 V147L100-A118 HydrophobicContact CD2-CB 3.97Å; S102-A118 WeakPolarHBondContact O-CA 3.46Å; S102-A118 VanDerWaalsContact O-CB 3.26Å; S102-A118 WeakPolarHBondContact O-CB 3.3Å; L103-A118 HydrophobicContact CD1-CB 4.2Å; A118-V145 HydrophobicContact CB-CG2 3.93Å; A118-V145 PolarHBondContact N-O 2.71Å; A118-V145 PolarHBondContact O-N 2.78Å; A118-V147 HydrophobicContact CB-CG2 3.64Å
119T96.3Very high87.2Confident38 Ų3839.2 Ų39.223%0.23322%0.224CC..EExtended strand (participates in β ladder)trans-110137.5170.452.90000110.4L100 A101 S102 D143L100-T119 WeakPolarHBondContact CA-O 3.39Å; A101-T119 PolarHBondContact N-O 2.76Å; S102-T119 PolarHBondContact N-OG1 3.04Å; S102-T119 PolarHBondContact O-N 3.09Å; S102-T119 PolarHBondContact OG-OG1 3.46Å; T119-D143 CarbonylContact C-O 3.59Å; T119-D143 WeakPolarHBondContact CA-O 3.5Å
120A96.2Very high86Confident0 Ų043.2 Ų43.20%024%0.237CC..EExtended strand (participates in β ladder)trans-61.3139173.900000111.1C124 P139 K140 G142 D143 V145A120-C124 HydrophobicContact CB-CB 3.78Å; A120-P139 HydrophobicContact CB-CB 3.95Å; A120-P139 HydrophobicContact CB-CG 4.01Å; A120-K140 WeakPolarHBondContact CB-O 3.39Å; A120-G142 PolarHBondContact O-N 3.18Å; A120-D143 PolarHBondContact N-O 3.12Å; A120-V145 HydrophobicContact CB-CG1 3.87Å
121G94.3Very high85Confident3 Ų342.3 Ų42.33%0.03123%0.226CC..  trans-88.6169.9162.600000111.3E98 Q99 R123 C124E98-G121 CarbonylContact O-C 3.58Å; E98-G121 WeakPolarHBondContact O-CA 3.38Å; Q99-G121 PolarHBondContact O-N 3.08Å; Q99-G121 VanDerWaalsContact O-N 3.09Å; G121-R123 PolarHBondContact O-N 3.32Å; G121-C124 VanDerWaalsContact O-CB 3.32Å; G121-C124 WeakPolarHBondContact O-CB 3.34Å; G121-C124 PolarHBondContact O-N 2.83Å
122A92Very high83.7Confident45 Ų4544 Ų4437%0.37224%0.236SC..THydrogen-bonded Turntrans-51.9-31.7-176.200000114.9E98 R126E98-A122 PolarHBondContact O-N 2.81Å; A122-R126 PolarHBondContact O-NH1 3.39Å
123R91Very high82.3Confident74 Ų7450.3 Ų50.328%0.27927%0.27SS..THydrogen-bonded Turntrans-1008.9-178.6-62.5-170.363.1112.312.9114.3E98 Q99 G121 G125 R126 D129E98-R123 HydrophobicContact CB-CB 3.89Å; E98-R123 HydrophobicContact CB-CG 3.88Å; E98-R123 CarbonylContact O-C 3.57Å; E98-R123 WeakPolarHBondContact O-CA 3.47Å; E98-R123 PolarHBondContact O-N 2.83Å; E98-R123 VanDerWaalsContact OE2-CD 3.27Å; E98-R123 WeakPolarHBondContact OE2-CD 3.33Å; E98-R123 WeakPolarHBondContact OE2-CG 3.07Å; Q99-R123 PolarHBondContact NE2-O 2.92Å; Q99-R123 PolarHBondContact OE1-O 2.86Å; G121-R123 PolarHBondContact O-N 3.32Å; R123-G125 PolarHBondContact O-N 3.48Å; R123-G125 VanDerWaalsContact O-N 3.12Å; R123-R126 PolarHBondContact NH2-O 2.89Å; R123-R126 WeakPolarHBondContact O-CA 3.31Å; R123-R126 WeakPolarHBondContact O-CB 3.14Å; R123-R126 PolarHBondContact O-N 3.32Å; R123-D129 IonicContact CZ-OD1 2.71Å; R123-D129 IonicContact NH1-OD1 3.05Å; R123-D129 PolarHBondContact NH1-OD1 3Å; R123-D129 IonicContact NH2-OD1 2.88Å; R123-D129 PolarHBondContact NH2-OD1 3.21Å
124C91.3Very high80.9Confident0 Ų056.4 Ų56.40%030%0.301CS..THydrogen-bonded Turntrans-51.4119.2-177.8-170.20000112.4E98 Q99 A120 G121 R126 P139E98-C124 PolarHBondContact O-N 2.98Å; Q99-C124 VanDerWaalsContact O-CB 3.25Å; Q99-C124 WeakPolarHBondContact O-CB 3.43Å; Q99-C124 PolarHBondContact O-SG 3.07Å; Q99-C124 VanDerWaalsContact O-SG 3.36Å; A120-C124 HydrophobicContact CB-CB 3.78Å; G121-C124 VanDerWaalsContact O-CB 3.32Å; G121-C124 WeakPolarHBondContact O-CB 3.34Å; G121-C124 PolarHBondContact O-N 2.83Å; C124-R126 VanDerWaalsContact C-N 3.25Å; C124-R126 PolarHBondContact O-N 3.03Å; C124-P139 HydrophobicContact CB-CG 3.83Å
125G87.2Confident79.6Confident5 Ų557.8 Ų57.85%0.05231%0.308CS..THydrogen-bonded Turntrans83.8-22.8-175.200000115.3R123 L127R123-G125 PolarHBondContact O-N 3.48Å; R123-G125 VanDerWaalsContact O-N 3.12Å; G125-L127 PolarHBondContact O-N 3.23Å; G125-L127 VanDerWaalsContact O-N 3.08Å
126R86.2Confident78.3Confident67 Ų6763 Ų6325%0.25334%0.335SS..  trans-81.985-176.7-57.9178.2177.285.214111A122 R123 C124 F138A122-R126 PolarHBondContact O-NH1 3.39Å; R123-R126 PolarHBondContact NH2-O 2.89Å; R123-R126 WeakPolarHBondContact O-CA 3.31Å; R123-R126 WeakPolarHBondContact O-CB 3.14Å; R123-R126 PolarHBondContact O-N 3.32Å; C124-R126 VanDerWaalsContact C-N 3.25Å; C124-R126 PolarHBondContact O-N 3.03Å; R126-F138 HydrophobicContact CG-CD1 3.94Å; R126-F138 HydrophobicContact CG-CE1 4.02Å; R126-F138 VanDerWaalsContact NH2-CB 3.25Å
127L74.7Confident77.4Confident104 Ų10469 Ų6955%0.54536%0.364SS..  trans-72.2-29.9-175.3-67.8175.9000113.8G125 S131G125-L127 PolarHBondContact O-N 3.23Å; G125-L127 VanDerWaalsContact O-N 3.08Å; L127-S131 PolarHBondContact N-OG 3.25Å; L127-S131 VanDerWaalsContact N-OG 3.12Å
128S70.3Confident76.9Confident55 Ų5569.1 Ų69.139%0.38536%0.363SS..SBendtrans-139.4165.5168.255.70000109.6D130 S131S128-D130 PolarHBondContact O-N 3.35Å; S128-S131 PolarHBondContact N-OG 3.42Å; S128-S131 WeakPolarHBondContact O-CB 3.49Å; S128-S131 PolarHBondContact O-N 2.77Å; S128-S131 VanDerWaalsContact O-N 3.09Å; S128-S131 PolarHBondContact O-OG 2.95Å; S128-S131 WeakPolarHBondContact OG-CB 3.32Å
129D63.9Low76.7Confident127 Ų12769.2 Ų69.268%0.67936%0.363SS*.THydrogen-bonded Turntrans-68.3-25.3-179.2-57.5-18.3000110.9R123R123-D129 IonicContact CZ-OD1 2.71Å; R123-D129 IonicContact NH1-OD1 3.05Å; R123-D129 PolarHBondContact NH1-OD1 3Å; R123-D129 IonicContact NH2-OD1 2.88Å; R123-D129 PolarHBondContact NH2-OD1 3.21Å
130D60.5Low76.4Confident143 Ų14374.9 Ų74.977%0.76538%0.384SS*.THydrogen-bonded Turntrans-84.84.4172.1-36.3-83.4000114.4S128 E132S128-D130 PolarHBondContact O-N 3.35Å; D130-E132 PolarHBondContact O-N 2.66Å
131S57.1Low76.2Confident10 Ų1081.6 Ų81.67%0.0742%0.415CS..G310 helixtrans-9229.1-170.283.60000115.5L127 S128 D133 F138L127-S131 PolarHBondContact N-OG 3.25Å; L127-S131 VanDerWaalsContact N-OG 3.12Å; S128-S131 PolarHBondContact N-OG 3.42Å; S128-S131 WeakPolarHBondContact O-CB 3.49Å; S128-S131 PolarHBondContact O-N 2.77Å; S128-S131 VanDerWaalsContact O-N 3.09Å; S128-S131 PolarHBondContact O-OG 2.95Å; S128-S131 WeakPolarHBondContact OG-CB 3.32Å; S131-D133 VanDerWaalsContact C-N 3.29Å; S131-F138 WeakPolarHBondContact O-CZ 3.29Å
132E52.2Low76.1Confident137 Ų13783.5 Ų83.564%0.6444%0.435SS*.G310 helixtrans-70.5-25.6177.6-58.1-153.8127.700112.5D130 L134 F138D130-E132 PolarHBondContact O-N 2.66Å; E132-L134 VanDerWaalsContact C-N 3.29Å; E132-L134 PolarHBondContact O-N 2.85Å; E132-F138 WeakPolarHBondContact O-CE2 3.38Å
133D52Low76.2Confident160 Ų16084.6 Ų84.686%0.85644%0.435SS*.G310 helixtrans-75.50.2-173.7-64.1-27.1000116S131S131-D133 VanDerWaalsContact C-N 3.29Å
134L61Low76.4Confident136 Ų13683.3 Ų83.371%0.71244%0.44SS*.G310 helixtrans-104.3-13.7-167.1-74.3177000116.4E132E132-L134 VanDerWaalsContact C-N 3.29Å; E132-L134 PolarHBondContact O-N 2.85Å
135L65.5Low76.6Confident31 Ų3183.3 Ų83.316%0.16244%0.44CS..  trans-143.3130.4178.4-67.4175.8000109.8E137 F138 I202 Y204L135-E137 PolarHBondContact O-N 3.01Å; L135-F138 HydrophobicContact CB-CD2 4.49Å; L135-F138 HydrophobicContact CB-CE1 4.17Å; L135-F138 HydrophobicContact CB-CE2 4.04Å; L135-F138 HydrophobicContact CB-CZ 3.87Å; L135-F138 HydrophobicContact CD1-CD1 4.33Å; L135-F138 HydrophobicContact CD1-CE1 3.96Å; L135-F138 HydrophobicContact CD1-CZ 4.44Å; L135-F138 HydrophobicContact CG-CE1 4.43Å; L135-F138 HydrophobicContact CG-CZ 4.43Å; L135-F138 VanDerWaalsContact O-CE2 3.32Å; L135-F138 WeakPolarHBondContact O-CE2 3.25Å; L135-I202 HydrophobicContact CD1-CG2 4.09Å; L135-I202 HydrophobicContact CD2-CG2 3.8Å; L135-I202 HydrophobicContact CG-CG2 4.47Å; L135-Y204 HydrophobicContact CD1-CD1 4.02Å
136D66Low77Confident144 Ų14483.7 Ų83.777%0.7744%0.441SS*.SBendtrans-62.3-28.6-179.5-32.3-84.1000112.4R194D136-R194 IonicContact OD2-NH2 2.75Å; D136-R194 PolarHBondContact OD2-NH2 2.88Å
137E78.2Confident77.5Confident128 Ų12880.5 Ų80.560%0.59843%0.429SS*.  trans-136.7116.1-175.5-66178.3155.400110L135 I202L135-E137 PolarHBondContact O-N 3.01Å; E137-I202 HydrophobicContact CB-CD1 4.07Å
138F84.4Confident78.5Confident41 Ų4176 Ų7618%0.1841%0.405CS..PPolyproline II helixtrans-103.8138.2167.1-68.3-88.7000109.9R126 S131 E132 L135R126-F138 HydrophobicContact CG-CD1 3.94Å; R126-F138 HydrophobicContact CG-CE1 4.02Å; R126-F138 VanDerWaalsContact NH2-CB 3.25Å; S131-F138 WeakPolarHBondContact O-CZ 3.29Å; E132-F138 WeakPolarHBondContact O-CE2 3.38Å; L135-F138 HydrophobicContact CB-CD2 4.49Å; L135-F138 HydrophobicContact CB-CE1 4.17Å; L135-F138 HydrophobicContact CB-CE2 4.04Å; L135-F138 HydrophobicContact CB-CZ 3.87Å; L135-F138 HydrophobicContact CD1-CD1 4.33Å; L135-F138 HydrophobicContact CD1-CE1 3.96Å; L135-F138 HydrophobicContact CD1-CZ 4.44Å; L135-F138 HydrophobicContact CG-CE1 4.43Å; L135-F138 HydrophobicContact CG-CZ 4.43Å; L135-F138 VanDerWaalsContact O-CE2 3.32Å; L135-F138 WeakPolarHBondContact O-CE2 3.25Å
139P89.8Confident79.7Confident6 Ų673.3 Ų73.34%0.03939%0.387CS..PPolyproline II helixtrans-67.3149.817529.6-33.9000110.6A120 C124 D143 V145 Y204A120-P139 HydrophobicContact CB-CB 3.95Å; A120-P139 HydrophobicContact CB-CG 4.01Å; C124-P139 HydrophobicContact CB-CG 3.83Å; P139-D143 HydrophobicContact CB-CB 3.94Å; P139-V145 HydrophobicContact CB-CG1 4.36Å; P139-V145 HydrophobicContact CG-CG1 4.31Å; P139-Y204 HydrophobicContact CG-CD2 4.27Å; P139-Y204 HydrophobicContact CG-CE1 4.15Å; P139-Y204 HydrophobicContact CG-CE2 3.83Å
140K89.9Confident81Confident157 Ų15767.4 Ų67.468%0.68336%0.355SS*.PPolyproline II helixtrans-79.7160.6170.1-59.8165.6-172.7165.50109.1A120 G142 D143A120-K140 WeakPolarHBondContact CB-O 3.39Å; K140-G142 PolarHBondContact O-N 2.87Å; K140-D143 WeakPolarHBondContact CB-OD2 3.19Å; K140-D143 PolarHBondContact N-OD2 2.92Å; K140-D143 WeakPolarHBondContact O-CB 3.25Å; K140-D143 PolarHBondContact O-N 3.44Å; K140-D143 VanDerWaalsContact O-N 3.13Å
141E92.2Very high82.3Confident140 Ų14061.2 Ų61.265%0.65432%0.321SS*.THydrogen-bonded Turntrans-60.9128.6173.8-171.4177175.300110.3
142G92.2Very high83.4Confident43 Ų4361 Ų6144%0.44332%0.319SS..THydrogen-bonded Turntrans94.2-17.1-175.500000115.5A120 K140A120-G142 PolarHBondContact O-N 3.18Å; K140-G142 PolarHBondContact O-N 2.87Å
143D94.1Very high84.4Confident69 Ų6955.6 Ų55.637%0.36930%0.3SS..  trans-61.7151179.5-74.1-10.4000112.1T119 A120 P139 K140 V145T119-D143 CarbonylContact C-O 3.59Å; T119-D143 WeakPolarHBondContact CA-O 3.5Å; A120-D143 PolarHBondContact N-O 3.12Å; P139-D143 HydrophobicContact CB-CB 3.94Å; K140-D143 WeakPolarHBondContact CB-OD2 3.19Å; K140-D143 PolarHBondContact N-OD2 2.92Å; K140-D143 WeakPolarHBondContact O-CB 3.25Å; K140-D143 PolarHBondContact O-N 3.44Å; K140-D143 VanDerWaalsContact O-N 3.13Å; D143-V145 PolarHBondContact O-N 3.2Å
144A95.2Very high85.4Confident46 Ų4652.3 Ų52.338%0.3828%0.275SS..EExtended strand (participates in β ladder)trans-70.8128.4-179.600000112.1I117 Y215I117-A144 HydrophobicContact CD1-CB 4.37Å; A144-Y215 HydrophobicContact CB-CD1 3.92Å; A144-Y215 HydrophobicContact CB-CG 4.09Å; A144-Y215 VanDerWaalsContact O-CB 3.32Å; A144-Y215 WeakPolarHBondContact O-CB 3.43Å
145V96.3Very high85.2Confident0 Ų049.9 Ų49.90%027%0.266CS..EExtended strand (participates in β ladder)trans-134.3160.6175.3-55.90000110.8L100 I117 A118 A120 P139 D143 Y204 V212L100-V145 HydrophobicContact CD2-CG2 3.59Å; I117-V145 CarbonylContact C-O 3.59Å; A118-V145 HydrophobicContact CB-CG2 3.93Å; A118-V145 PolarHBondContact N-O 2.71Å; A118-V145 PolarHBondContact O-N 2.78Å; A120-V145 HydrophobicContact CB-CG1 3.87Å; P139-V145 HydrophobicContact CB-CG1 4.36Å; P139-V145 HydrophobicContact CG-CG1 4.31Å; D143-V145 PolarHBondContact O-N 3.2Å; V145-Y204 HydrophobicContact CB-CE2 4.34Å; V145-Y204 HydrophobicContact CG1-CD2 4.1Å; V145-Y204 HydrophobicContact CG1-CE2 3.7Å; V145-V212 HydrophobicContact CB-CG1 4.41Å; V145-V212 HydrophobicContact CG2-CG1 4.1Å
146V96.3Very high84.6Confident13 Ų1349.5 Ų49.58%0.07927%0.266CS..EExtended strand (participates in β ladder)trans-106.9137.3-179.9169.10000110.3I107 V115 Y116 V212 M213 Y215I107-V146 HydrophobicContact CD1-CG2 4.19Å; V115-V146 HydrophobicContact CG1-CG1 3.47Å; V115-V146 VanDerWaalsContact CG1-CG1 3.47Å; Y116-V146 CarbonylContact O-C 3.54Å; Y116-V146 WeakPolarHBondContact O-CA 3.28Å; V146-V212 CarbonylContact O-C 3.48Å; V146-V212 VanDerWaalsContact O-CA 3.31Å; V146-V212 WeakPolarHBondContact O-CA 3.29Å; V146-M213 HydrophobicContact CB-CG 3.76Å; V146-M213 HydrophobicContact CG1-CG 3.95Å; V146-M213 HydrophobicContact CG1-SD 4.16Å; V146-M213 PolarHBondContact N-O 2.9Å; V146-M213 PolarHBondContact O-N 2.94Å; V146-Y215 HydrophobicContact CG2-CD2 3.77Å; V146-Y215 HydrophobicContact CG2-CG 4.46Å
147V96.7Very high83.6Confident0 Ų044.9 Ų44.90%024%0.239CC..EExtended strand (participates in β ladder)trans-117.1111.7172.3-171.10000109.2L100 L103 Y116 A118 F149 A210 V211 V212L100-V147 HydrophobicContact CD1-CG2 3.74Å; L100-V147 HydrophobicContact CD2-CG2 4.07Å; L103-V147 HydrophobicContact CD1-CB 4.33Å; L103-V147 HydrophobicContact CD1-CG2 4.22Å; Y116-V147 PolarHBondContact N-O 3.38Å; Y116-V147 PolarHBondContact O-N 2.7Å; A118-V147 HydrophobicContact CB-CG2 3.64Å; V147-F149 HydrophobicContact CB-CE2 4.23Å; V147-F149 HydrophobicContact CG1-CD2 4.15Å; V147-F149 HydrophobicContact CG1-CE1 4.44Å; V147-F149 HydrophobicContact CG1-CE2 3.54Å; V147-F149 HydrophobicContact CG1-CZ 3.71Å; V147-A210 HydrophobicContact CG1-CB 4.1Å; V147-V211 WeakPolarHBondContact CA-O 2.96Å; V147-V212 HydrophobicContact CG2-CG2 4.36Å
148K95.3Very high81.8Confident9 Ų950 Ų504%0.03925%0.253CS..EExtended strand (participates in β ladder)trans-98.9118176.6-174.3-177-172.9-171.10110.1D114 V115 E186 A210 V211 M213 D289D114-K148 CarbonylContact O-C 3.58Å; D114-K148 WeakPolarHBondContact O-CA 3.27Å; V115-K148 HydrophobicContact CG2-CG 4.36Å; K148-E186 VanDerWaalsContact CD-OE1 3.25Å; K148-E186 WeakPolarHBondContact CD-OE1 3.41Å; K148-E186 IonicContact NZ-OE1 2.98Å; K148-E186 PolarHBondContact NZ-OE1 3.01Å; K148-E186 IonicContact NZ-OE2 3.29Å; K148-E186 PolarHBondContact NZ-OE2 2.92Å; K148-A210 CarbonylContact O-C 3.6Å; K148-A210 VanDerWaalsContact O-CA 3.29Å; K148-A210 WeakPolarHBondContact O-CA 3.15Å; K148-V211 PolarHBondContact N-O 2.71Å; K148-V211 PolarHBondContact O-N 3.16Å; K148-M213 HydrophobicContact CB-CE 3.75Å; K148-M213 HydrophobicContact CD-CE 4.24Å; K148-D289 IonicContact NZ-OD1 3.46Å; K148-D289 PolarHBondContact NZ-OD1 3.12Å; K148-D289 IonicContact NZ-OD2 3.27Å; K148-D289 PolarHBondContact NZ-OD2 2.99Å; K148-D289 VanDerWaalsContact NZ-OD2 3.16Å
149F94.7Very high79.7Confident0 Ų054.6 Ų54.60%027%0.273CS..EExtended strand (participates in β ladder)trans-98.8127.9173.9-64.6-91.4000110.6I5 D87 L91 S113 D114 Y116 V147 N209 A210I5-F149 HydrophobicContact CD1-CD2 4.17Å; I5-F149 HydrophobicContact CD1-CE1 4.32Å; I5-F149 HydrophobicContact CD1-CE2 3.75Å; I5-F149 HydrophobicContact CD1-CZ 3.83Å; D87-F149 HydrophobicContact CB-CD1 4.02Å; D87-F149 HydrophobicContact CB-CE1 3.75Å; D87-F149 WeakPolarHBondContact OD1-CD1 3.44Å; L91-F149 HydrophobicContact CD1-CZ 3.96Å; L91-F149 HydrophobicContact CD2-CZ 3.97Å; L91-F149 HydrophobicContact CG-CE1 4.29Å; L91-F149 HydrophobicContact CG-CZ 3.86Å; S113-F149 CarbonylContact C-O 3.56Å; S113-F149 VanDerWaalsContact CA-O 3.25Å; S113-F149 WeakPolarHBondContact CA-O 3.37Å; D114-F149 HydrophobicContact CB-CB 4.45Å; D114-F149 PolarHBondContact N-O 3.42Å; D114-F149 PolarHBondContact O-N 2.98Å; Y116-F149 AromaticContact CD2-CD2 3.81Å; Y116-F149 HydrophobicContact CD2-CD2 3.81Å; Y116-F149 AromaticContact CD2-CE2 3.81Å; Y116-F149 HydrophobicContact CD2-CE2 3.81Å; Y116-F149 HydrophobicContact CE2-CD2 4.21Å; Y116-F149 HydrophobicContact CE2-CE2 4.3Å; Y116-F149 HydrophobicContact CG-CE2 4.44Å; V147-F149 HydrophobicContact CB-CE2 4.23Å; V147-F149 HydrophobicContact CG1-CD2 4.15Å; V147-F149 HydrophobicContact CG1-CE1 4.44Å; V147-F149 HydrophobicContact CG1-CE2 3.54Å; V147-F149 HydrophobicContact CG1-CZ 3.71Å; F149-N209 CarbonylContact C-O 3.57Å; F149-N209 WeakPolarHBondContact CA-O 3.29Å; F149-A210 HydrophobicContact CD1-CB 3.92Å; F149-A210 HydrophobicContact CE1-CB 3.84Å; F149-A210 HydrophobicContact CZ-CB 4.48Å
150H92.3Very high77.4Confident3 Ų356.1 Ų56.11%0.01428%0.282CS..EExtended strand (participates in β ladder)trans-80.3145.7176.3-69.1-113.1000111.8L152 D179 A182 S183 E186 N209H150-L152 HydrophobicContact CB-CD1 4.21Å; H150-D179 HydrophobicContact CB-CB 4.18Å; H150-A182 WeakPolarHBondContact ND1-CB 3.35Å; H150-S183 VanDerWaalsContact CD2-CB 3.43Å; H150-S183 WeakPolarHBondContact CD2-CB 3.44Å; H150-S183 WeakPolarHBondContact NE2-CA 3.11Å; H150-E186 IonicContact CE1-OE2 2.73Å; H150-E186 PolarHBondContact CE1-OE2 3.05Å; H150-E186 IonicContact NE2-OE2 2.83Å; H150-E186 PolarHBondContact NE2-OE2 3.37Å; H150-N209 HydrophobicContact CB-CB 4.48Å; H150-N209 PolarHBondContact CD2-O 3.4Å; H150-N209 PolarHBondContact N-O 3.11Å; H150-N209 PolarHBondContact O-ND2 3.13Å
151R88.1Confident75.1Confident12 Ų1255.7 Ų55.75%0.04528%0.28CS..  trans-14342.8-167.4-56.1-65.5-172.3-147.75.9113.1D87 E112 D114 G153 R154 D179 N209D87-R151 VanDerWaalsContact CG-NH1 3.26Å; D87-R151 IonicContact OD1-CZ 2.69Å; D87-R151 IonicContact OD1-NH1 3.71Å; D87-R151 PolarHBondContact OD1-NH1 3.29Å; D87-R151 IonicContact OD1-NH2 3.49Å; D87-R151 PolarHBondContact OD1-NH2 3.48Å; D87-R151 IonicContact OD2-CZ 3.2Å; D87-R151 VanDerWaalsContact OD2-CZ 3.29Å; D87-R151 IonicContact OD2-NH1 2.64Å; D87-R151 PolarHBondContact OD2-NH1 2.95Å; D87-R151 IonicContact OD2-NH2 2.9Å; D87-R151 PolarHBondContact OD2-NH2 2.86Å; E112-R151 WeakPolarHBondContact O-CA 3.36Å; E112-R151 WeakPolarHBondContact O-CB 3.47Å; E112-R151 PolarHBondContact O-N 3.01Å; D114-R151 IonicContact OD2-CZ 2.76Å; D114-R151 VanDerWaalsContact OD2-CZ 3.29Å; D114-R151 IonicContact OD2-NE 2.7Å; D114-R151 PolarHBondContact OD2-NE 2.69Å; D114-R151 IonicContact OD2-NH2 2.87Å; D114-R151 PolarHBondContact OD2-NH2 3.06Å; R151-G153 PolarHBondContact O-N 3.32Å; R151-R154 HydrophobicContact CB-CB 4.13Å; R151-R154 WeakPolarHBondContact O-CB 3.47Å; R151-R154 PolarHBondContact O-N 3.31Å; R151-R154 VanDerWaalsContact O-N 3.09Å; R151-D179 PolarHBondContact N-OD1 2.82Å; R151-N209 PolarHBondContact NH1-ND2 2.7Å
152L80.3Confident72.6Confident7 Ų755.7 Ų55.74%0.03728%0.28CS..THydrogen-bonded Turntrans-59.4135.4178.5-76.973.3000110H150 W175 L178 D179 A182 V371 Q375H150-L152 HydrophobicContact CB-CD1 4.21Å; L152-W175 HydrophobicContact CB-CE3 3.99Å; L152-W175 HydrophobicContact CB-CZ3 4.34Å; L152-L178 HydrophobicContact CD2-CB 4.11Å; L152-D179 PolarHBondContact N-OD1 3.31Å; L152-A182 HydrophobicContact CD1-CB 3.69Å; L152-A182 HydrophobicContact CD2-CB 4.33Å; L152-V371 HydrophobicContact CD2-CG1 4Å; L152-Q375 HydrophobicContact CD2-CG 3.76Å; L152-Q375 HydrophobicContact CG-CG 4.23Å
153G71.5Confident70.1Confident23 Ų2361 Ų6124%0.23729%0.291CS..THydrogen-bonded Turntrans76.715.1-174.500000115.3R151R151-G153 PolarHBondContact O-N 3.32Å
154R73.4Confident67.6Low91 Ų9162.5 Ų62.534%0.34329%0.292SS..SBendtrans-63.7-51.2168.3161.6177.4-79.4-174-5.2112G110 K111 S113 D114 R151G110-R154 WeakPolarHBondContact O-CD 3.25Å; G110-R154 PolarHBondContact O-NH1 2.76Å; K111-R154 WeakPolarHBondContact O-CD 3.42Å; S113-R154 PolarHBondContact O-NH1 3.12Å; D114-R154 IonicContact OD1-CZ 3.73Å; D114-R154 IonicContact OD1-NH1 2.68Å; D114-R154 PolarHBondContact OD1-NH1 3.22Å; D114-R154 IonicContact OD1-NH2 3.18Å; D114-R154 PolarHBondContact OD1-NH2 2.97Å; D114-R154 IonicContact OD2-CZ 3.26Å; D114-R154 IonicContact OD2-NH2 2.71Å; D114-R154 PolarHBondContact OD2-NH2 2.88Å; R151-R154 HydrophobicContact CB-CB 4.13Å; R151-R154 WeakPolarHBondContact O-CB 3.47Å; R151-R154 PolarHBondContact O-N 3.31Å; R151-R154 VanDerWaalsContact O-N 3.09Å
155T57.4Low64.9Low85 Ų8566.7 Ų66.752%0.52130%0.303SS..SBendtrans-95-51.3-179.448.40000110.5K111K111-T155 HydrophobicContact CB-CG2 4.12Å; K111-T155 HydrophobicContact CG-CG2 4.3Å
156S51.9Low61.8Low22 Ų2269.6 Ų69.615%0.15432%0.315CS..THydrogen-bonded Turntrans-71.4146.2-177.650.90000112.4
157F45.9Very low59Low47 Ų4775.6 Ų75.621%0.20634%0.341CS..THydrogen-bonded Turntrans8510159.3-45.1-53.8000121.9K159 V160 K161 W175 L374F157-K159 VanDerWaalsContact C-N 3.33Å; F157-K159 PolarHBondContact O-N 2.9Å; F157-V160 HydrophobicContact CB-CB 3.84Å; F157-V160 HydrophobicContact CB-CG1 4.33Å; F157-V160 HydrophobicContact CD1-CB 3.59Å; F157-V160 HydrophobicContact CD1-CG1 3.77Å; F157-V160 HydrophobicContact CD1-CG2 3.72Å; F157-V160 HydrophobicContact CE1-CG1 4.5Å; F157-V160 HydrophobicContact CE1-CG2 4.45Å; F157-V160 HydrophobicContact CG-CB 4.13Å; F157-V160 HydrophobicContact CG-CG1 4.32Å; F157-V160 PolarHBondContact O-N 3.25Å; F157-K161 PolarHBondContact O-N 3.49Å; F157-W175 HydrophobicContact CB-CZ2 4.15Å; F157-W175 AromaticContact CD2-CH2 3.17Å; F157-W175 HydrophobicContact CD2-CH2 3.17Å; F157-W175 AromaticContact CD2-CZ2 3.49Å; F157-W175 HydrophobicContact CD2-CZ2 3.49Å; F157-W175 VanDerWaalsContact CD2-CZ2 3.49Å; F157-W175 HydrophobicContact CD2-CZ3 4.08Å; F157-W175 AromaticContact CE2-CH2 3.47Å; F157-W175 HydrophobicContact CE2-CH2 3.47Å; F157-W175 VanDerWaalsContact CE2-CH2 3.47Å; F157-W175 HydrophobicContact CE2-CZ2 4.26Å; F157-W175 HydrophobicContact CE2-CZ3 4.15Å; F157-W175 HydrophobicContact CG-CH2 4.18Å; F157-W175 HydrophobicContact CG-CZ2 4.15Å; F157-L374 HydrophobicContact CZ-CD2 4.13Å
158R41Very low56.6Low235 Ų23581.9 Ų81.989%0.88737%0.371SS*.Hα-helixtrans-52.4-52.3160.3-85.1-170.6175.8-167-0.6111.1V160 K161R158-V160 PolarHBondContact O-N 3.37Å; R158-V160 VanDerWaalsContact O-N 3.16Å; R158-K161 PolarHBondContact O-N 2.98Å
159K38.8Very low53.8Low138 Ų13888.2 Ų88.260%0.640%0.4SS*.Hα-helixtrans-67.4-5.3174.1-65.4173.7-177.2163.80114.9F157 E162F157-K159 VanDerWaalsContact C-N 3.33Å; F157-K159 PolarHBondContact O-N 2.9Å; K159-E162 WeakPolarHBondContact CA-OE2 3.47Å
160V42.3Very low51.1Low38 Ų3899.5 Ų99.523%0.2344%0.443CS..Hα-helixtrans-110-16.3-179.1168.40000112.7F157 R158 E162 K163 R164F157-V160 HydrophobicContact CB-CB 3.84Å; F157-V160 HydrophobicContact CB-CG1 4.33Å; F157-V160 HydrophobicContact CD1-CB 3.59Å; F157-V160 HydrophobicContact CD1-CG1 3.77Å; F157-V160 HydrophobicContact CD1-CG2 3.72Å; F157-V160 HydrophobicContact CE1-CG1 4.5Å; F157-V160 HydrophobicContact CE1-CG2 4.45Å; F157-V160 HydrophobicContact CG-CB 4.13Å; F157-V160 HydrophobicContact CG-CG1 4.32Å; F157-V160 PolarHBondContact O-N 3.25Å; R158-V160 PolarHBondContact O-N 3.37Å; R158-V160 VanDerWaalsContact O-N 3.16Å; V160-E162 PolarHBondContact O-N 3.48Å; V160-K163 PolarHBondContact O-N 3.14Å; V160-R164 HydrophobicContact CG1-CG 3.87Å; V160-R164 VanDerWaalsContact O-CB 3.26Å; V160-R164 WeakPolarHBondContact O-CB 3.49Å; V160-R164 VanDerWaalsContact O-CG 3.29Å; V160-R164 WeakPolarHBondContact O-CG 3.36Å; V160-R164 PolarHBondContact O-N 3.18Å
161K40.6Very low48.5Very low149 Ų149104.6 Ų104.665%0.64848%0.479SS*.Hα-helixtrans-60.7-39.3160.7-150.4172.3-171.91780109.8E32 F157 R158 K163 R164E32-K161 IonicContact OE1-NZ 2.7Å; E32-K161 PolarHBondContact OE1-NZ 3.09Å; F157-K161 PolarHBondContact O-N 3.49Å; R158-K161 PolarHBondContact O-N 2.98Å; K161-K163 PolarHBondContact O-N 3.3Å; K161-R164 PolarHBondContact O-N 2.79Å
162E39.7Very low46.5Very low140 Ų140107.8 Ų107.865%0.65450%0.503SS*.Hα-helixtrans-62-39171.3-59.2177.712100114.1K159 V160K159-E162 WeakPolarHBondContact CA-OE2 3.47Å; V160-E162 PolarHBondContact O-N 3.48Å
163K41.5Very low45.2Very low154 Ų154109.2 Ų109.267%0.6751%0.513SS*.Hα-helixtrans-82.3-22.9179.4-68.5178.2-178.3175.70113.6V160 K161 E165V160-K163 PolarHBondContact O-N 3.14Å; K161-K163 PolarHBondContact O-N 3.3Å; K163-E165 VanDerWaalsContact C-N 3.31Å; K163-E165 PolarHBondContact O-N 3.4Å
164R40.9Very low45.3Very low101 Ų101110.4 Ų110.438%0.38152%0.518SS..Hα-helixtrans-76.7-12.2179.7-81.6179.6-179-179.93.6114.2V160 K161 Y166 H167V160-R164 HydrophobicContact CG1-CG 3.87Å; V160-R164 VanDerWaalsContact O-CB 3.26Å; V160-R164 WeakPolarHBondContact O-CB 3.49Å; V160-R164 VanDerWaalsContact O-CG 3.29Å; V160-R164 WeakPolarHBondContact O-CG 3.36Å; V160-R164 PolarHBondContact O-N 3.18Å; K161-R164 PolarHBondContact O-N 2.79Å; R164-Y166 PolarHBondContact O-N 3.38Å; R164-H167 PolarHBondContact O-N 3.37Å
165E39.1Very low45.6Very low133 Ų133109.4 Ų109.462%0.62151%0.514SS*.THydrogen-bonded Turntrans-53-15.4178.5-154.9177.9-128.800114.6K163K163-E165 VanDerWaalsContact C-N 3.31Å; K163-E165 PolarHBondContact O-N 3.4Å
166Y30.9Very low47Very low61 Ų61105.9 Ų105.924%0.23949%0.492CS..THydrogen-bonded Turntrans-92.5-0.2178.8-66.8-96.2000115.1R164 K473R164-Y166 PolarHBondContact O-N 3.38Å; Y166-K473 HydrophobicContact CD1-CG 4.16Å; Y166-K473 HydrophobicContact CE1-CB 4.17Å; Y166-K473 HydrophobicContact CE1-CD 3.94Å; Y166-K473 HydrophobicContact CE1-CG 3.61Å; Y166-K473 HydrophobicContact CE2-CD 4.43Å
167H37Very low48.5Very low139 Ų139107.9 Ų107.964%0.64450%0.497SS*.  trans-114.454.4-173.7-69.288.5000113.3R164 H169R164-H167 PolarHBondContact O-N 3.37Å; H167-H169 PolarHBondContact O-N 3.4Å
168Q45.7Very low50.3Low132 Ų132106 Ų10662%0.61749%0.489SS*.THydrogen-bonded Turntrans-68.28.3-168.9-63.7179.1-43.700116.9
169H36.8Very low52.6Low142 Ų14294.9 Ų94.966%0.65745%0.447SS*.THydrogen-bonded Turntrans-132.58.7-166.6-68.1-34.7000117.1H167H167-H169 PolarHBondContact O-N 3.4Å
170R38.9Very low55Low237 Ų23791.8 Ų91.889%0.89443%0.432SS*.SBendtrans-137.4138.7161-69.2-168.2179.5-172.7-0.4109.6
171S36.8Very low57.1Low111 Ų11190.1 Ų90.178%0.77642%0.421SS*.  trans-46.4133.7-170.949.40000113.6C173S171-C173 PolarHBondContact O-N 3.24Å
172S45.4Very low59.3Low78 Ų7883 Ų8355%0.54539%0.39SS..  trans-60.585.416433.70000109.6E32 S174E32-S172 WeakPolarHBondContact OE2-CB 3.39Å; E32-S172 PolarHBondContact OE2-OG 3.4Å; S172-S174 PolarHBondContact O-N 3.14Å
173C54.6Low61.8Low37 Ų3776.3 Ų76.325%0.2536%0.359CS..  trans-56.8111.5178.9-171.60000109.2S171 Y177 L178S171-C173 PolarHBondContact O-N 3.24Å; C173-Y177 VanDerWaalsContact SG-CD1 3.52Å; C173-L178 VanDerWaalsContact SG-CD2 3.59Å
174S73.5Confident64.1Low49 Ų4974 Ų7434%0.34335%0.346SS..  trans-59.8138.3-175.8-178.20000110S172 L176 Y177 L178S172-S174 PolarHBondContact O-N 3.14Å; S174-L176 PolarHBondContact O-N 2.96Å; S174-Y177 WeakPolarHBondContact O-CB 3.39Å; S174-Y177 PolarHBondContact O-N 3.48Å; S174-L178 PolarHBondContact O-N 3.18Å
175W79.7Confident66.3Low70 Ų7069.8 Ų69.827%0.26533%0.33SS..Hα-helixtrans-54.3-37.8176.6-66.7113.8000111.4L152 F157 Y177 L178 D179L152-W175 HydrophobicContact CB-CE3 3.99Å; L152-W175 HydrophobicContact CB-CZ3 4.34Å; F157-W175 HydrophobicContact CB-CZ2 4.15Å; F157-W175 AromaticContact CD2-CH2 3.17Å; F157-W175 HydrophobicContact CD2-CH2 3.17Å; F157-W175 AromaticContact CD2-CZ2 3.49Å; F157-W175 HydrophobicContact CD2-CZ2 3.49Å; F157-W175 VanDerWaalsContact CD2-CZ2 3.49Å; F157-W175 HydrophobicContact CD2-CZ3 4.08Å; F157-W175 AromaticContact CE2-CH2 3.47Å; F157-W175 HydrophobicContact CE2-CH2 3.47Å; F157-W175 VanDerWaalsContact CE2-CH2 3.47Å; F157-W175 HydrophobicContact CE2-CZ2 4.26Å; F157-W175 HydrophobicContact CE2-CZ3 4.15Å; F157-W175 HydrophobicContact CG-CH2 4.18Å; F157-W175 HydrophobicContact CG-CZ2 4.15Å; W175-Y177 PolarHBondContact O-N 3.4Å; W175-Y177 VanDerWaalsContact O-N 3.15Å; W175-L178 HydrophobicContact CD2-CD1 4.31Å; W175-L178 HydrophobicContact CE3-CD1 3.5Å; W175-L178 HydrophobicContact CH2-CD1 4.23Å; W175-L178 HydrophobicContact CZ3-CD1 3.45Å; W175-L178 VanDerWaalsContact CZ3-CD1 3.45Å; W175-L178 CarbonylContact O-C 3.56Å; W175-L178 PolarHBondContact O-N 3.26Å; W175-D179 WeakPolarHBondContact O-CB 3.37Å; W175-D179 PolarHBondContact O-N 3.46Å
176L85.9Confident68.8Low11 Ų1163.6 Ų63.66%0.05830%0.301CS..Hα-helixtrans-60.2-26.5175.7-51.5-178.8000113.9L81 N83 Y86 S174 R180L81-L176 HydrophobicContact CB-CD1 4.05Å; L81-L176 HydrophobicContact CD2-CD1 4.01Å; L81-L176 HydrophobicContact CG-CD1 4.14Å; N83-L176 HydrophobicContact CB-CD2 4.43Å; Y86-L176 HydrophobicContact CD1-CB 3.93Å; Y86-L176 HydrophobicContact CD1-CD2 3.79Å; Y86-L176 HydrophobicContact CD1-CG 4.3Å; Y86-L176 HydrophobicContact CE1-CB 3.73Å; Y86-L176 HydrophobicContact CE1-CD2 4.41Å; Y86-L176 WeakPolarHBondContact CE1-O 3.21Å; Y86-L176 HydrophobicContact CE2-CB 4.5Å; Y86-L176 HydrophobicContact CG-CB 4.35Å; Y86-L176 HydrophobicContact CG-CD1 4.34Å; Y86-L176 HydrophobicContact CG-CD2 4.13Å; Y86-L176 PolarHBondContact OH-O 2.77Å; S174-L176 PolarHBondContact O-N 2.96Å; L176-R180 PolarHBondContact O-N 3.39Å
177Y84.2Confident71.7Confident64 Ų6461.2 Ų61.225%0.25129%0.292SS..Hα-helixtrans-82.2-38.6173.9-179.1-89.6000111.4C173 S174 W175 D179 R180 L181 L367C173-Y177 VanDerWaalsContact SG-CD1 3.52Å; S174-Y177 WeakPolarHBondContact O-CB 3.39Å; S174-Y177 PolarHBondContact O-N 3.48Å; W175-Y177 PolarHBondContact O-N 3.4Å; W175-Y177 VanDerWaalsContact O-N 3.15Å; Y177-D179 VanDerWaalsContact C-N 3.34Å; Y177-R180 WeakPolarHBondContact O-CB 3.42Å; Y177-R180 PolarHBondContact O-N 2.95Å; Y177-R180 VanDerWaalsContact O-N 3.14Å; Y177-L181 HydrophobicContact CD1-CD1 4.13Å; Y177-L181 HydrophobicContact CD1-CG 4.32Å; Y177-L181 HydrophobicContact CE1-CD1 3.51Å; Y177-L181 HydrophobicContact CE1-CD2 4.35Å; Y177-L181 HydrophobicContact CE1-CG 3.92Å; Y177-L181 PolarHBondContact O-N 2.93Å; Y177-L181 VanDerWaalsContact O-N 3.08Å; Y177-L367 HydrophobicContact CE1-CD1 3.63Å
178L83.8Confident74.3Confident8 Ų857.2 Ų57.24%0.04228%0.277CS..Hα-helixtrans-64.5-40.2173.4-59.5169.8000110.9L152 C173 S174 W175 R180 L181 A182 V371L152-L178 HydrophobicContact CD2-CB 4.11Å; C173-L178 VanDerWaalsContact SG-CD2 3.59Å; S174-L178 PolarHBondContact O-N 3.18Å; W175-L178 HydrophobicContact CD2-CD1 4.31Å; W175-L178 HydrophobicContact CE3-CD1 3.5Å; W175-L178 HydrophobicContact CH2-CD1 4.23Å; W175-L178 HydrophobicContact CZ3-CD1 3.45Å; W175-L178 VanDerWaalsContact CZ3-CD1 3.45Å; W175-L178 CarbonylContact O-C 3.56Å; W175-L178 PolarHBondContact O-N 3.26Å; L178-R180 PolarHBondContact O-N 3.13Å; L178-L181 PolarHBondContact O-N 3.41Å; L178-A182 WeakPolarHBondContact O-CB 3.47Å; L178-A182 PolarHBondContact O-N 3.47Å; L178-V371 HydrophobicContact CB-CG2 4.32Å; L178-V371 HydrophobicContact CD2-CG2 3.46Å; L178-V371 VanDerWaalsContact CD2-CG2 3.46Å; L178-V371 HydrophobicContact CG-CG2 4.48Å
179D88.5Confident76.4Confident0 Ų051 Ų510%025%0.248CC..Hα-helixtrans-57.2-35.4171.2-66.2-34.1000112.4H150 R151 L152 W175 Y177 S183 N209H150-D179 HydrophobicContact CB-CB 4.18Å; R151-D179 PolarHBondContact N-OD1 2.82Å; L152-D179 PolarHBondContact N-OD1 3.31Å; W175-D179 WeakPolarHBondContact O-CB 3.37Å; W175-D179 PolarHBondContact O-N 3.46Å; Y177-D179 VanDerWaalsContact C-N 3.34Å; D179-S183 WeakPolarHBondContact O-CB 3.21Å; D179-S183 PolarHBondContact O-N 3.4Å; D179-S183 VanDerWaalsContact O-N 3.11Å; D179-S183 PolarHBondContact O-OG 2.78Å; D179-N209 HydrophobicContact CB-CB 3.68Å
180R89.9Confident79.1Confident74 Ų7444.3 Ų44.328%0.27922%0.217SC..Hα-helixtrans-71.9-39.9176.2-175.1-174.7-57-134.2-3.1112.7E25 Y86 L176 Y177 L178 S183 R184 R208E25-R180 IonicContact OE1-CZ 3.05Å; E25-R180 IonicContact OE1-NH1 2.87Å; E25-R180 IonicContact OE1-NH2 3.04Å; E25-R180 PolarHBondContact OE1-NH2 3.37Å; Y86-R180 PolarHBondContact OH-NE 2.97Å; Y86-R180 PolarHBondContact OH-NH2 2.84Å; L176-R180 PolarHBondContact O-N 3.39Å; Y177-R180 WeakPolarHBondContact O-CB 3.42Å; Y177-R180 PolarHBondContact O-N 2.95Å; Y177-R180 VanDerWaalsContact O-N 3.14Å; L178-R180 PolarHBondContact O-N 3.13Å; R180-S183 PolarHBondContact O-OG 2.81Å; R180-R184 VanDerWaalsContact O-CB 3.29Å; R180-R184 WeakPolarHBondContact O-CB 3.46Å; R180-R184 PolarHBondContact O-N 3.24Å; R180-R184 VanDerWaalsContact O-N 3.16Å; R180-R208 VanDerWaalsContact CA-O 3.3Å; R180-R208 WeakPolarHBondContact CA-O 3.04Å
181L85.4Confident81.5Confident2 Ų236.7 Ų36.71%0.0119%0.192CC..Hα-helixtrans-69.6-39.9176.4-63.9-173.9000111.1Y177 L178 R185 E364 L367 L368 V371Y177-L181 HydrophobicContact CD1-CD1 4.13Å; Y177-L181 HydrophobicContact CD1-CG 4.32Å; Y177-L181 HydrophobicContact CE1-CD1 3.51Å; Y177-L181 HydrophobicContact CE1-CD2 4.35Å; Y177-L181 HydrophobicContact CE1-CG 3.92Å; Y177-L181 PolarHBondContact O-N 2.93Å; Y177-L181 VanDerWaalsContact O-N 3.08Å; L178-L181 PolarHBondContact O-N 3.41Å; L181-R185 WeakPolarHBondContact O-CB 3.3Å; L181-R185 PolarHBondContact O-N 2.84Å; L181-E364 HydrophobicContact CD2-CB 4.09Å; L181-L367 HydrophobicContact CD1-CB 3.51Å; L181-L368 HydrophobicContact CB-CD1 4.09Å; L181-L368 HydrophobicContact CD1-CD1 4.2Å; L181-L368 HydrophobicContact CD2-CD1 3.86Å; L181-L368 HydrophobicContact CG-CD1 4.26Å; L181-V371 HydrophobicContact CB-CG2 4.16Å; L181-V371 HydrophobicContact CD1-CG2 4.15Å
182A87.1Confident84.1Confident0 Ų032.4 Ų32.40%016%0.162CC..Hα-helixtrans-63.8-50.6178.400000112.4H150 L152 L178 R185 E186 V371H150-A182 WeakPolarHBondContact ND1-CB 3.35Å; L152-A182 HydrophobicContact CD1-CB 3.69Å; L152-A182 HydrophobicContact CD2-CB 4.33Å; L178-A182 WeakPolarHBondContact O-CB 3.47Å; L178-A182 PolarHBondContact O-N 3.47Å; A182-R185 PolarHBondContact O-N 2.92Å; A182-E186 PolarHBondContact O-N 3.05Å; A182-V371 HydrophobicContact CB-CG1 4.37Å
183S91.2Very high86.4Confident0 Ų028.7 Ų28.70%014%0.136CC..Hα-helixtrans-63-45.6178.149.90000113.7H150 D179 R180 R185 E186 F187 R208 V211H150-S183 VanDerWaalsContact CD2-CB 3.43Å; H150-S183 WeakPolarHBondContact CD2-CB 3.44Å; H150-S183 WeakPolarHBondContact NE2-CA 3.11Å; D179-S183 WeakPolarHBondContact O-CB 3.21Å; D179-S183 PolarHBondContact O-N 3.4Å; D179-S183 VanDerWaalsContact O-N 3.11Å; D179-S183 PolarHBondContact O-OG 2.78Å; R180-S183 PolarHBondContact O-OG 2.81Å; S183-R185 VanDerWaalsContact C-N 3.31Å; S183-R185 PolarHBondContact O-N 3.44Å; S183-E186 PolarHBondContact O-N 3.37Å; S183-F187 WeakPolarHBondContact O-CB 3.29Å; S183-F187 PolarHBondContact O-N 3.36Å; S183-R208 PolarHBondContact OG-O 2.87Å; S183-V211 VanDerWaalsContact O-CG2 3.29Å; S183-V211 WeakPolarHBondContact O-CG2 3.25Å
184R90.4Very high88.1Confident106 Ų10630.4 Ų30.440%0.414%0.137SC..Hα-helixtrans-61.1-40.8174.6177.4175.1167.5-163.7-4.1111.7R180 F187 V188 E364R180-R184 VanDerWaalsContact O-CB 3.29Å; R180-R184 WeakPolarHBondContact O-CB 3.46Å; R180-R184 PolarHBondContact O-N 3.24Å; R180-R184 VanDerWaalsContact O-N 3.16Å; R184-F187 PolarHBondContact O-N 3.12Å; R184-V188 WeakPolarHBondContact O-CG2 3.43Å; R184-V188 PolarHBondContact O-N 3Å; R184-V188 VanDerWaalsContact O-N 3.14Å; R184-E364 IonicContact CZ-OE2 2.71Å; R184-E364 IonicContact NH1-OE1 3.84Å; R184-E364 IonicContact NH1-OE2 3.44Å; R184-E364 PolarHBondContact NH1-OE2 2.97Å; R184-E364 IonicContact NH2-OE2 3.43Å
185R87.5Confident88.9Confident12 Ų1232 Ų325%0.04515%0.149CC..Hα-helixtrans-65.6-45.4177.5-174.2-171.8163.7-153.2-5.4111L181 A182 S183 F187 V188 M189 P291 Q292 M293 L368 A372L181-R185 WeakPolarHBondContact O-CB 3.3Å; L181-R185 PolarHBondContact O-N 2.84Å; A182-R185 PolarHBondContact O-N 2.92Å; S183-R185 VanDerWaalsContact C-N 3.31Å; S183-R185 PolarHBondContact O-N 3.44Å; R185-F187 PolarHBondContact O-N 2.86Å; R185-V188 PolarHBondContact O-N 3.11Å; R185-M189 HydrophobicContact CG-CE 3.74Å; R185-M189 HydrophobicContact CG-CG 4.37Å; R185-M189 HydrophobicContact CG-SD 3.83Å; R185-M189 WeakPolarHBondContact O-CB 3.25Å; R185-M189 WeakPolarHBondContact O-CG 3.43Å; R185-M189 PolarHBondContact O-N 3.49Å; R185-P291 PolarHBondContact NH1-O 3.08Å; R185-P291 PolarHBondContact NH2-O 2.88Å; R185-Q292 PolarHBondContact NH2-O 2.87Å; R185-M293 PolarHBondContact NH2-O 3.46Å; R185-L368 HydrophobicContact CB-CD2 4.12Å; R185-L368 HydrophobicContact CG-CD2 3.93Å; R185-A372 VanDerWaalsContact NH1-CB 3.3Å
186E91.1Very high89.5Confident2 Ų232.8 Ų32.81%0.00915%0.154CC..Hα-helixtrans-59.1-46.1175.2-175.8168155.800111.8K148 H150 A182 S183 V188 M189 M190 F290K148-E186 VanDerWaalsContact CD-OE1 3.25Å; K148-E186 WeakPolarHBondContact CD-OE1 3.41Å; K148-E186 IonicContact NZ-OE1 2.98Å; K148-E186 PolarHBondContact NZ-OE1 3.01Å; K148-E186 IonicContact NZ-OE2 3.29Å; K148-E186 PolarHBondContact NZ-OE2 2.92Å; H150-E186 IonicContact CE1-OE2 2.73Å; H150-E186 PolarHBondContact CE1-OE2 3.05Å; H150-E186 IonicContact NE2-OE2 2.83Å; H150-E186 PolarHBondContact NE2-OE2 3.37Å; A182-E186 PolarHBondContact O-N 3.05Å; S183-E186 PolarHBondContact O-N 3.37Å; E186-V188 PolarHBondContact O-N 3.09Å; E186-M189 PolarHBondContact O-N 2.85Å; E186-M190 HydrophobicContact CG-CE 4.38Å; E186-M190 VanDerWaalsContact O-CB 3.3Å; E186-M190 WeakPolarHBondContact O-CB 3.34Å; E186-M190 PolarHBondContact O-N 2.72Å; E186-F290 HydrophobicContact CG-CD2 4.27Å; E186-F290 HydrophobicContact CG-CE2 3.86Å; E186-F290 HydrophobicContact CG-CZ 4.45Å
187F92.6Very high89.8Confident11 Ų1134.7 Ų34.75%0.04818%0.176CC..Hα-helixtrans-56.6-46.7177.2179.9-111.6000113S183 R184 R185 M190 Q191 P203 T205 H206 V211S183-F187 WeakPolarHBondContact O-CB 3.29Å; S183-F187 PolarHBondContact O-N 3.36Å; R184-F187 PolarHBondContact O-N 3.12Å; R185-F187 PolarHBondContact O-N 2.86Å; F187-M190 PolarHBondContact O-N 3.3Å; F187-Q191 VanDerWaalsContact CZ-NE2 3.27Å; F187-Q191 WeakPolarHBondContact O-CG 3.44Å; F187-Q191 PolarHBondContact O-N 2.93Å; F187-Q191 VanDerWaalsContact O-N 3.12Å; F187-P203 HydrophobicContact CD2-CB 3.83Å; F187-P203 HydrophobicContact CE2-CB 3.78Å; F187-T205 VanDerWaalsContact CE2-C 3.47Å; F187-T205 VanDerWaalsContact CE2-CA 3.42Å; F187-H206 HydrophobicContact CB-CB 3.95Å; F187-H206 HydrophobicContact CD1-CB 4.1Å; F187-H206 AromaticContact CD1-CE1 3.98Å; F187-H206 AromaticContact CD1-CG 3.81Å; F187-H206 AromaticContact CD1-ND1 3.21Å; F187-H206 WeakPolarHBondContact CD1-ND1 3.37Å; F187-H206 HydrophobicContact CD2-CB 4.15Å; F187-H206 AromaticContact CE1-ND1 3.44Å; F187-H206 WeakPolarHBondContact CE1-ND1 3.28Å; F187-H206 HydrophobicContact CG-CB 3.8Å; F187-H206 AromaticContact CG-ND1 3.86Å; F187-V211 HydrophobicContact CB-CG1 4.14Å; F187-V211 HydrophobicContact CB-CG2 4.49Å; F187-V211 HydrophobicContact CD2-CG1 4.04Å
188V90.5Very high90.2Very high55 Ų5531.8 Ų31.833%0.33317%0.165SC..Hα-helixtrans-73-33179.5-177.30000111.9R184 R185 E186 S192 L344R184-V188 WeakPolarHBondContact O-CG2 3.43Å; R184-V188 PolarHBondContact O-N 3Å; R184-V188 VanDerWaalsContact O-N 3.14Å; R185-V188 PolarHBondContact O-N 3.11Å; E186-V188 PolarHBondContact O-N 3.09Å; V188-S192 WeakPolarHBondContact O-CB 3.49Å; V188-S192 PolarHBondContact O-N 2.92Å; V188-S192 PolarHBondContact O-OG 3.3Å; V188-L344 HydrophobicContact CB-CD2 4.38Å; V188-L344 HydrophobicContact CG1-CD2 3.75Å
189M90.4Very high90.7Very high1 Ų133.5 Ų33.51%0.00518%0.177CC..Hα-helixtrans-67.2-40.1172.7-69.3-174.7-44.800111.3R185 E186 Q191 S192 L193 F290 M293 L344R185-M189 HydrophobicContact CG-CE 3.74Å; R185-M189 HydrophobicContact CG-CG 4.37Å; R185-M189 HydrophobicContact CG-SD 3.83Å; R185-M189 WeakPolarHBondContact O-CB 3.25Å; R185-M189 WeakPolarHBondContact O-CG 3.43Å; R185-M189 PolarHBondContact O-N 3.49Å; E186-M189 PolarHBondContact O-N 2.85Å; M189-Q191 PolarHBondContact O-N 3.13Å; M189-S192 PolarHBondContact O-N 3.12Å; M189-S192 VanDerWaalsContact O-N 3.15Å; M189-L193 WeakPolarHBondContact O-CB 3.48Å; M189-L193 VanDerWaalsContact O-CG 3.26Å; M189-L193 WeakPolarHBondContact O-CG 3.2Å; M189-L193 PolarHBondContact O-N 3.21Å; M189-F290 HydrophobicContact CB-CD2 3.93Å; M189-F290 HydrophobicContact CB-CE2 4.02Å; M189-F290 HydrophobicContact CE-CD2 4.25Å; M189-F290 WeakPolarHBondContact CE-O 3.29Å; M189-M293 HydrophobicContact CE-CB 4.48Å; M189-M293 HydrophobicContact SD-CB 3.95Å; M189-L344 HydrophobicContact CG-CD1 3.73Å; M189-L344 HydrophobicContact CG-CD2 3.66Å; M189-L344 HydrophobicContact CG-CG 4.29Å; M189-L344 HydrophobicContact SD-CD1 4.41Å
190M92.6Very high91Very high2 Ų233.9 Ų33.91%0.0118%0.179CC..Hα-helixtrans-61-44.5176.5-168.4173.1-71.800111.2E186 F187 R194 V200 P201 P203 M213 F290E186-M190 HydrophobicContact CG-CE 4.38Å; E186-M190 VanDerWaalsContact O-CB 3.3Å; E186-M190 WeakPolarHBondContact O-CB 3.34Å; E186-M190 PolarHBondContact O-N 2.72Å; F187-M190 PolarHBondContact O-N 3.3Å; M190-R194 VanDerWaalsContact O-CB 3.29Å; M190-R194 WeakPolarHBondContact O-CB 3.5Å; M190-R194 PolarHBondContact O-N 3.24Å; M190-V200 HydrophobicContact CG-CG2 4.15Å; M190-P201 HydrophobicContact CE-CB 4.46Å; M190-P201 WeakPolarHBondContact CG-O 3.32Å; M190-P201 HydrophobicContact SD-CB 4.22Å; M190-P201 VanDerWaalsContact SD-O 3.41Å; M190-P203 HydrophobicContact CB-CB 3.95Å; M190-P203 HydrophobicContact CB-CG 4.21Å; M190-P203 HydrophobicContact CG-CB 3.72Å; M190-P203 HydrophobicContact CG-CG 3.9Å; M190-P203 HydrophobicContact SD-CB 3.7Å; M190-P203 HydrophobicContact SD-CG 4.43Å; M190-M213 HydrophobicContact CE-CE 3.79Å; M190-M213 HydrophobicContact CE-SD 3.83Å; M190-M213 HydrophobicContact SD-CB 3.96Å; M190-M213 HydrophobicContact SD-SD 4.48Å; M190-F290 HydrophobicContact CB-CE2 3.76Å; M190-F290 HydrophobicContact CB-CZ 3.59Å; M190-F290 HydrophobicContact CE-CE1 4.26Å; M190-F290 HydrophobicContact CE-CE2 4.31Å; M190-F290 HydrophobicContact CE-CZ 3.53Å; M190-F290 HydrophobicContact CG-CE2 4.48Å; M190-F290 HydrophobicContact CG-CZ 3.81Å
191Q91.3Very high91.2Very high77 Ų7730.6 Ų30.636%0.3617%0.167SC..Hα-helixtrans-59.3-47172.6-73.4177.6-20.400111.5F187 M189 R194 S195 P203F187-Q191 VanDerWaalsContact CZ-NE2 3.27Å; F187-Q191 WeakPolarHBondContact O-CG 3.44Å; F187-Q191 PolarHBondContact O-N 2.93Å; F187-Q191 VanDerWaalsContact O-N 3.12Å; M189-Q191 PolarHBondContact O-N 3.13Å; Q191-R194 PolarHBondContact O-N 3.04Å; Q191-S195 WeakPolarHBondContact O-CB 3.41Å; Q191-S195 PolarHBondContact O-N 3.23Å; Q191-P203 HydrophobicContact CB-CG 4.22Å; Q191-P203 HydrophobicContact CG-CB 3.96Å; Q191-P203 HydrophobicContact CG-CG 3.43Å; Q191-P203 VanDerWaalsContact CG-CG 3.43Å
192S90.8Very high91.5Very high22 Ų2231 Ų3115%0.15417%0.169CC..Hα-helixtrans-64.2-48.1-177.2-56.70000111.8V188 M189 S195 K196V188-S192 WeakPolarHBondContact O-CB 3.49Å; V188-S192 PolarHBondContact O-N 2.92Å; V188-S192 PolarHBondContact O-OG 3.3Å; M189-S192 PolarHBondContact O-N 3.12Å; M189-S192 VanDerWaalsContact O-N 3.15Å; S192-S195 PolarHBondContact O-N 3.47Å; S192-S195 PolarHBondContact O-OG 3.41Å; S192-K196 WeakPolarHBondContact O-CG 3.4Å
193L92.8Very high91.8Very high0 Ų031 Ų310%017%0.17CC..Hα-helixtrans-63.2-44.9177.7-65.1171.8000111.6M189 S195 K196 G197 I198 V200 V252 L255 L257 F290 M293M189-L193 WeakPolarHBondContact O-CB 3.48Å; M189-L193 VanDerWaalsContact O-CG 3.26Å; M189-L193 WeakPolarHBondContact O-CG 3.2Å; M189-L193 PolarHBondContact O-N 3.21Å; L193-S195 VanDerWaalsContact C-N 3.34Å; L193-S195 PolarHBondContact O-N 3.04Å; L193-K196 CarbonylContact O-C 3.58Å; L193-K196 PolarHBondContact O-N 3.5Å; L193-K196 VanDerWaalsContact O-N 3.09Å; L193-G197 PolarHBondContact O-N 3.22Å; L193-I198 HydrophobicContact CB-CB 4.26Å; L193-I198 HydrophobicContact CD2-CD1 3.74Å; L193-I198 PolarHBondContact O-N 3.49Å; L193-I198 VanDerWaalsContact O-N 3.15Å; L193-V200 HydrophobicContact CB-CG1 4.1Å; L193-V200 HydrophobicContact CB-CG2 4.17Å; L193-V200 HydrophobicContact CD1-CG1 4.08Å; L193-V252 HydrophobicContact CD2-CG2 4.36Å; L193-L255 HydrophobicContact CD2-CD1 4.39Å; L193-L257 HydrophobicContact CD2-CD1 4.25Å; L193-F290 HydrophobicContact CD1-CD1 4.21Å; L193-F290 HydrophobicContact CD1-CD2 4.01Å; L193-F290 HydrophobicContact CD1-CE1 4.34Å; L193-F290 HydrophobicContact CD1-CE2 4.16Å; L193-F290 HydrophobicContact CD1-CG 4.03Å; L193-F290 HydrophobicContact CD1-CZ 4.31Å; L193-M293 HydrophobicContact CD1-CE 4.13Å; L193-M293 HydrophobicContact CD1-SD 3.9Å; L193-M293 HydrophobicContact CD2-CE 3.97Å; L193-M293 HydrophobicContact CD2-SD 4.36Å
194R91.9Very high91.9Very high72 Ų7231.9 Ų31.927%0.27217%0.173SC..Hα-helixtrans-61.2-41.1176.8-173.1173.917286.23.8112D136 M190 Q191 K196 G197 V200D136-R194 IonicContact OD2-NH2 2.75Å; D136-R194 PolarHBondContact OD2-NH2 2.88Å; M190-R194 VanDerWaalsContact O-CB 3.29Å; M190-R194 WeakPolarHBondContact O-CB 3.5Å; M190-R194 PolarHBondContact O-N 3.24Å; Q191-R194 PolarHBondContact O-N 3.04Å; R194-K196 PolarHBondContact O-N 2.68Å; R194-G197 PolarHBondContact O-N 2.67Å; R194-V200 HydrophobicContact CB-CG2 3.79Å
195S90.3Very high92.1Very high83 Ų8327.4 Ų27.458%0.5816%0.157SC*.THydrogen-bonded Turntrans-62.7-12.3176.879.10000114.5Q191 S192 L193Q191-S195 WeakPolarHBondContact O-CB 3.41Å; Q191-S195 PolarHBondContact O-N 3.23Å; S192-S195 PolarHBondContact O-N 3.47Å; S192-S195 PolarHBondContact O-OG 3.41Å; L193-S195 VanDerWaalsContact C-N 3.34Å; L193-S195 PolarHBondContact O-N 3.04Å
196K91.8Very high92.4Very high86 Ų8629.7 Ų29.737%0.37417%0.168SC..THydrogen-bonded Turntrans-110.417.2175.7-51.8-65160.7168.70112S192 L193 R194 I198 R251 L255 D338S192-K196 WeakPolarHBondContact O-CG 3.4Å; L193-K196 CarbonylContact O-C 3.58Å; L193-K196 PolarHBondContact O-N 3.5Å; L193-K196 VanDerWaalsContact O-N 3.09Å; R194-K196 PolarHBondContact O-N 2.68Å; K196-I198 PolarHBondContact O-N 3.06Å; K196-R251 PolarHBondContact O-NH2 3.05Å; K196-R251 VanDerWaalsContact O-NH2 3.08Å; K196-L255 HydrophobicContact CB-CD1 3.67Å; K196-L255 HydrophobicContact CB-CD2 4.01Å; K196-L255 HydrophobicContact CB-CG 4.47Å; K196-L255 HydrophobicContact CD-CD2 4.06Å; K196-L255 HydrophobicContact CG-CD1 3.78Å; K196-L255 HydrophobicContact CG-CD2 3.74Å; K196-L255 HydrophobicContact CG-CG 4.43Å; K196-D338 WeakPolarHBondContact CE-OD2 3.45Å; K196-D338 IonicContact NZ-OD2 3.75Å; K196-D338 PolarHBondContact NZ-OD2 3.14Å
197G91.5Very high92.6Very high51 Ų5131.2 Ų31.253%0.52618%0.177SC..THydrogen-bonded Turntrans66.317.9176.500000114.6L193 R194 R251L193-G197 PolarHBondContact O-N 3.22Å; R194-G197 PolarHBondContact O-N 2.67Å; G197-R251 PolarHBondContact O-NH2 3.01Å
198I93.5Very high92.7Very high4 Ų432.4 Ų32.42%0.02118%0.181CC..  trans-75.4132174.3-64.7175.2000107.4L193 K196 V200 I248 R251 V252 L255L193-I198 HydrophobicContact CB-CB 4.26Å; L193-I198 HydrophobicContact CD2-CD1 3.74Å; L193-I198 PolarHBondContact O-N 3.49Å; L193-I198 VanDerWaalsContact O-N 3.15Å; K196-I198 PolarHBondContact O-N 3.06Å; I198-V200 HydrophobicContact CG2-CG1 4.22Å; I198-V200 PolarHBondContact O-N 2.79Å; I198-I248 HydrophobicContact CG2-CG2 4.36Å; I198-R251 HydrophobicContact CD1-CB 4.41Å; I198-R251 HydrophobicContact CG1-CB 4.5Å; I198-V252 HydrophobicContact CD1-CG2 3.97Å; I198-L255 HydrophobicContact CD1-CD1 3.47Å; I198-L255 VanDerWaalsContact CD1-CD1 3.47Å
199P93.3Very high92.9Very high44 Ų4429.8 Ų29.829%0.28617%0.165SC..  trans-6996.3-17928.6-35.7000110.6I248 L285 V286 L287P199-I248 HydrophobicContact CG-CD1 3.57Å; P199-I248 HydrophobicContact CG-CG1 3.88Å; P199-L285 WeakPolarHBondContact CB-O 3.45Å; P199-L285 WeakPolarHBondContact CG-O 3.45Å; P199-V286 WeakPolarHBondContact O-CA 3.27Å; P199-L287 PolarHBondContact O-N 2.93Å
200V94.4Very high93.1Very high7 Ų729.7 Ų29.74%0.04217%0.165CC..  trans-129.1157.5171.2-63.50000109.3M190 L193 R194 I198 L287 F290M190-V200 HydrophobicContact CG-CG2 4.15Å; L193-V200 HydrophobicContact CB-CG1 4.1Å; L193-V200 HydrophobicContact CB-CG2 4.17Å; L193-V200 HydrophobicContact CD1-CG1 4.08Å; R194-V200 HydrophobicContact CB-CG2 3.79Å; I198-V200 HydrophobicContact CG2-CG1 4.22Å; I198-V200 PolarHBondContact O-N 2.79Å; V200-L287 HydrophobicContact CG1-CB 4.12Å; V200-L287 HydrophobicContact CG1-CD2 4.46Å; V200-F290 HydrophobicContact CB-CE1 4.21Å; V200-F290 HydrophobicContact CB-CZ 4.47Å; V200-F290 HydrophobicContact CG1-CD1 4.48Å; V200-F290 HydrophobicContact CG1-CE1 3.8Å; V200-F290 HydrophobicContact CG1-CZ 4.33Å
201P94Very high93.3Very high6 Ų629.6 Ų29.64%0.03916%0.164CC..  trans-52.4150.6171.8-27.336.2000112.9M190 P203 M213 S214 V216 V286 L287 I288M190-P201 HydrophobicContact CE-CB 4.46Å; M190-P201 WeakPolarHBondContact CG-O 3.32Å; M190-P201 HydrophobicContact SD-CB 4.22Å; M190-P201 VanDerWaalsContact SD-O 3.41Å; P201-P203 WeakPolarHBondContact O-CD 3.39Å; P201-M213 HydrophobicContact CB-CB 4.06Å; P201-M213 HydrophobicContact CB-CG 4.13Å; P201-M213 HydrophobicContact CB-SD 4.09Å; P201-M213 HydrophobicContact CG-SD 4.29Å; P201-S214 WeakPolarHBondContact CA-OG 3.47Å; P201-S214 WeakPolarHBondContact CB-OG 3.16Å; P201-V216 HydrophobicContact CG-CG2 4.25Å; P201-V286 HydrophobicContact CG-CG1 4.44Å; P201-L287 WeakPolarHBondContact CD-O 3.25Å; P201-I288 HydrophobicContact CG-CG2 4.07Å
202I93.2Very high93.6Very high9 Ų926 Ų265%0.04615%0.147CC..  trans-70.7121.9176-43-173.8000109L135 E137 Y204 M213 S214L135-I202 HydrophobicContact CD1-CG2 4.09Å; L135-I202 HydrophobicContact CD2-CG2 3.8Å; L135-I202 HydrophobicContact CG-CG2 4.47Å; E137-I202 HydrophobicContact CB-CD1 4.07Å; I202-Y204 HydrophobicContact CB-CD1 4.33Å; I202-Y204 HydrophobicContact CB-CE1 3.68Å; I202-Y204 HydrophobicContact CD1-CE1 4.4Å; I202-Y204 HydrophobicContact CG2-CD1 3.96Å; I202-Y204 HydrophobicContact CG2-CE1 3.53Å; I202-Y204 PolarHBondContact O-N 3.35Å; I202-M213 CarbonylContact O-C 3.34Å; I202-M213 WeakPolarHBondContact O-CA 3.4Å; I202-M213 WeakPolarHBondContact O-CB 3.32Å; I202-S214 PolarHBondContact N-OG 2.87Å; I202-S214 PolarHBondContact O-N 2.88Å
203P93.4Very high93.8Very high2 Ų225.5 Ų25.51%0.01314%0.143CC..EExtended strand (participates in β ladder)trans-83.2104.5178.129.8-29.6000111F187 M190 Q191 P201F187-P203 HydrophobicContact CD2-CB 3.83Å; F187-P203 HydrophobicContact CE2-CB 3.78Å; M190-P203 HydrophobicContact CB-CB 3.95Å; M190-P203 HydrophobicContact CB-CG 4.21Å; M190-P203 HydrophobicContact CG-CB 3.72Å; M190-P203 HydrophobicContact CG-CG 3.9Å; M190-P203 HydrophobicContact SD-CB 3.7Å; M190-P203 HydrophobicContact SD-CG 4.43Å; Q191-P203 HydrophobicContact CB-CG 4.22Å; Q191-P203 HydrophobicContact CG-CB 3.96Å; Q191-P203 HydrophobicContact CG-CG 3.43Å; Q191-P203 VanDerWaalsContact CG-CG 3.43Å; P201-P203 WeakPolarHBondContact O-CD 3.39Å
204Y93.4Very high93.9Very high17 Ų1726.3 Ų26.37%0.06715%0.148CC..EExtended strand (participates in β ladder)trans-82.9-54.5-179.7-58.2-43.2000112.5L135 P139 V145 I202 V212L135-Y204 HydrophobicContact CD1-CD1 4.02Å; P139-Y204 HydrophobicContact CG-CD2 4.27Å; P139-Y204 HydrophobicContact CG-CE1 4.15Å; P139-Y204 HydrophobicContact CG-CE2 3.83Å; V145-Y204 HydrophobicContact CB-CE2 4.34Å; V145-Y204 HydrophobicContact CG1-CD2 4.1Å; V145-Y204 HydrophobicContact CG1-CE2 3.7Å; I202-Y204 HydrophobicContact CB-CD1 4.33Å; I202-Y204 HydrophobicContact CB-CE1 3.68Å; I202-Y204 HydrophobicContact CD1-CE1 4.4Å; I202-Y204 HydrophobicContact CG2-CD1 3.96Å; I202-Y204 HydrophobicContact CG2-CE1 3.53Å; I202-Y204 PolarHBondContact O-N 3.35Å; Y204-V212 HydrophobicContact CD2-CG1 4.38Å; Y204-V212 PolarHBondContact N-O 3.28Å
205T94.1Very high94Very high12 Ų1227.4 Ų27.47%0.07415%0.153CC..EExtended strand (participates in β ladder)trans-158.8170.1-179.6-169.50000112.5L94 Q99 F187 V212L94-T205 HydrophobicContact CD2-CG2 3.6Å; Q99-T205 HydrophobicContact CB-CG2 3.97Å; Q99-T205 HydrophobicContact CG-CG2 3.95Å; F187-T205 VanDerWaalsContact CE2-C 3.47Å; F187-T205 VanDerWaalsContact CE2-CA 3.42Å; T205-V212 HydrophobicContact CG2-CB 3.73Å; T205-V212 HydrophobicContact CG2-CG1 4.49Å; T205-V212 HydrophobicContact CG2-CG2 3.74Å; T205-V212 PolarHBondContact N-O 3.3Å; T205-V212 PolarHBondContact O-N 2.98Å
206H93.9Very high94Very high60 Ų6024.8 Ų24.828%0.27813%0.133SC..EExtended strand (participates in β ladder)trans-137.6148.8170.780-70.9000111.7F187 A210F187-H206 HydrophobicContact CB-CB 3.95Å; F187-H206 HydrophobicContact CD1-CB 4.1Å; F187-H206 AromaticContact CD1-CE1 3.98Å; F187-H206 AromaticContact CD1-CG 3.81Å; F187-H206 AromaticContact CD1-ND1 3.21Å; F187-H206 WeakPolarHBondContact CD1-ND1 3.37Å; F187-H206 HydrophobicContact CD2-CB 4.15Å; F187-H206 AromaticContact CE1-ND1 3.44Å; F187-H206 WeakPolarHBondContact CE1-ND1 3.28Å; F187-H206 HydrophobicContact CG-CB 3.8Å; F187-H206 AromaticContact CG-ND1 3.86Å; H206-A210 CarbonylContact C-O 3.43Å; H206-A210 WeakPolarHBondContact CA-O 3.28Å
207N95.2Very high93.6Very high34 Ų3423.1 Ų23.118%0.18214%0.136CC..EExtended strand (participates in β ladder)trans-149127.4169.8-157.6-94.5000112.6Q93 L94 N209 A210Q93-N207 WeakPolarHBondContact CG-ND2 3.33Å; L94-N207 HydrophobicContact CD1-CB 4.49Å; L94-N207 HydrophobicContact CD2-CB 4.12Å; L94-N207 HydrophobicContact CG-CB 4.1Å; N207-N209 PolarHBondContact O-N 2.87Å; N207-A210 PolarHBondContact N-O 2.77Å; N207-A210 WeakPolarHBondContact O-CB 3.42Å; N207-A210 PolarHBondContact O-N 3.43Å
208R94.4Very high93.2Very high36 Ų3627.2 Ų27.214%0.13615%0.146CC..THydrogen-bonded Turntrans53.8-108.8-179.5-67.4172.4176.394.3-11.2111E25 Y86 L89 A90 R180 S183E25-R208 IonicContact OE1-CZ 3.09Å; E25-R208 IonicContact OE1-NE 3.27Å; E25-R208 PolarHBondContact OE1-NE 3.05Å; E25-R208 IonicContact OE1-NH2 2.77Å; E25-R208 IonicContact OE2-CZ 3.19Å; E25-R208 VanDerWaalsContact OE2-CZ 3.3Å; E25-R208 IonicContact OE2-NE 3.05Å; E25-R208 PolarHBondContact OE2-NE 2.87Å; E25-R208 IonicContact OE2-NH2 2.76Å; E25-R208 PolarHBondContact OE2-NH2 2.85Å; Y86-R208 HydrophobicContact CD2-CB 4.48Å; Y86-R208 HydrophobicContact CE1-CB 4.17Å; Y86-R208 HydrophobicContact CE2-CB 3.95Å; Y86-R208 HydrophobicContact CE2-CG 3.94Å; L89-R208 PolarHBondContact O-NH1 3.44Å; L89-R208 VanDerWaalsContact O-NH1 3.08Å; A90-R208 HydrophobicContact CB-CB 4.12Å; R180-R208 VanDerWaalsContact CA-O 3.3Å; R180-R208 WeakPolarHBondContact CA-O 3.04Å; S183-R208 PolarHBondContact OG-O 2.87Å
209N94Very high92.9Very high0 Ų028 Ų280%015%0.151CC..THydrogen-bonded Turntrans-1003.1176.364.7-42.3000114.2Y86 D87 F149 H150 R151 D179 N207Y86-N209 HydrophobicContact CD1-CB 3.97Å; Y86-N209 WeakPolarHBondContact CD1-OD1 3.2Å; Y86-N209 HydrophobicContact CE1-CB 3.81Å; D87-N209 PolarHBondContact OD1-ND2 3.07Å; F149-N209 CarbonylContact C-O 3.57Å; F149-N209 WeakPolarHBondContact CA-O 3.29Å; H150-N209 HydrophobicContact CB-CB 4.48Å; H150-N209 PolarHBondContact CD2-O 3.4Å; H150-N209 PolarHBondContact N-O 3.11Å; H150-N209 PolarHBondContact O-ND2 3.13Å; R151-N209 PolarHBondContact NH1-ND2 2.7Å; D179-N209 HydrophobicContact CB-CB 3.68Å; N207-N209 PolarHBondContact O-N 2.87Å
210A96.4Very high92.8Very high0 Ų029.7 Ų29.70%016%0.158CC..EExtended strand (participates in β ladder)trans-101.9136.2-177.800000111.7A90 L94 V147 K148 F149 H206 N207A90-A210 HydrophobicContact CB-CB 4.05Å; L94-A210 HydrophobicContact CD1-CB 4.31Å; V147-A210 HydrophobicContact CG1-CB 4.1Å; K148-A210 CarbonylContact O-C 3.6Å; K148-A210 VanDerWaalsContact O-CA 3.29Å; K148-A210 WeakPolarHBondContact O-CA 3.15Å; F149-A210 HydrophobicContact CD1-CB 3.92Å; F149-A210 HydrophobicContact CE1-CB 3.84Å; F149-A210 HydrophobicContact CZ-CB 4.48Å; H206-A210 CarbonylContact C-O 3.43Å; H206-A210 WeakPolarHBondContact CA-O 3.28Å; N207-A210 PolarHBondContact N-O 2.77Å; N207-A210 WeakPolarHBondContact O-CB 3.42Å; N207-A210 PolarHBondContact O-N 3.43Å
211V96.2Very high92.6Very high0 Ų030.5 Ų30.50%016%0.163CC..EExtended strand (participates in β ladder)trans-114.6134.3166.2-172.30000108.2V147 K148 S183 F187 M213V147-V211 WeakPolarHBondContact CA-O 2.96Å; K148-V211 PolarHBondContact N-O 2.71Å; K148-V211 PolarHBondContact O-N 3.16Å; S183-V211 VanDerWaalsContact O-CG2 3.29Å; S183-V211 WeakPolarHBondContact O-CG2 3.25Å; F187-V211 HydrophobicContact CB-CG1 4.14Å; F187-V211 HydrophobicContact CB-CG2 4.49Å; F187-V211 HydrophobicContact CD2-CG1 4.04Å; V211-M213 HydrophobicContact CB-CE 4.02Å; V211-M213 HydrophobicContact CG1-CE 3.86Å
212V96.5Very high92.4Very high0 Ų030.3 Ų30.30%016%0.161CC..EExtended strand (participates in β ladder)trans-108.6126.6176.3-172.60000108.9L94 L100 V145 V146 V147 Y204 T205L94-V212 HydrophobicContact CD1-CG2 3.8Å; L94-V212 HydrophobicContact CD2-CG2 3.96Å; L100-V212 HydrophobicContact CD2-CG1 3.88Å; L100-V212 HydrophobicContact CD2-CG2 4.45Å; V145-V212 HydrophobicContact CB-CG1 4.41Å; V145-V212 HydrophobicContact CG2-CG1 4.1Å; V146-V212 CarbonylContact O-C 3.48Å; V146-V212 VanDerWaalsContact O-CA 3.31Å; V146-V212 WeakPolarHBondContact O-CA 3.29Å; V147-V212 HydrophobicContact CG2-CG2 4.36Å; Y204-V212 HydrophobicContact CD2-CG1 4.38Å; Y204-V212 PolarHBondContact N-O 3.28Å; T205-V212 HydrophobicContact CG2-CB 3.73Å; T205-V212 HydrophobicContact CG2-CG1 4.49Å; T205-V212 HydrophobicContact CG2-CG2 3.74Å; T205-V212 PolarHBondContact N-O 3.3Å; T205-V212 PolarHBondContact O-N 2.98Å
213M95.4Very high92.2Very high13 Ų1334.7 Ų34.76%0.06418%0.178CC..EExtended strand (participates in β ladder)trans-142.9168.7-173.567.1-166.671.600112.4V146 K148 M190 P201 I202 V211V146-M213 HydrophobicContact CB-CG 3.76Å; V146-M213 HydrophobicContact CG1-CG 3.95Å; V146-M213 HydrophobicContact CG1-SD 4.16Å; V146-M213 PolarHBondContact N-O 2.9Å; V146-M213 PolarHBondContact O-N 2.94Å; K148-M213 HydrophobicContact CB-CE 3.75Å; K148-M213 HydrophobicContact CD-CE 4.24Å; M190-M213 HydrophobicContact CE-CE 3.79Å; M190-M213 HydrophobicContact CE-SD 3.83Å; M190-M213 HydrophobicContact SD-CB 3.96Å; M190-M213 HydrophobicContact SD-SD 4.48Å; P201-M213 HydrophobicContact CB-CB 4.06Å; P201-M213 HydrophobicContact CB-CG 4.13Å; P201-M213 HydrophobicContact CB-SD 4.09Å; P201-M213 HydrophobicContact CG-SD 4.29Å; I202-M213 CarbonylContact O-C 3.34Å; I202-M213 WeakPolarHBondContact O-CA 3.4Å; I202-M213 WeakPolarHBondContact O-CB 3.32Å; V211-M213 HydrophobicContact CB-CE 4.02Å; V211-M213 HydrophobicContact CG1-CE 3.86Å
214S94.7Very high92Very high16 Ų1641 Ų4111%0.11220%0.202CC..EExtended strand (participates in β ladder)trans-56.7137.6174.361.30000112.3P201 I202 V216P201-S214 WeakPolarHBondContact CA-OG 3.47Å; P201-S214 WeakPolarHBondContact CB-OG 3.16Å; I202-S214 PolarHBondContact N-OG 2.87Å; I202-S214 PolarHBondContact O-N 2.88Å; S214-V216 PolarHBondContact O-N 2.83Å
215Y93.7Very high91.7Very high96 Ų9640.7 Ų40.738%0.37620%0.201SC..  trans-72.6120.8160.4-179.4-110.2000108.8I117 A144 V146 A217I117-Y215 HydrophobicContact CD1-CD2 4.1Å; I117-Y215 HydrophobicContact CD1-CE2 3.97Å; I117-Y215 HydrophobicContact CG1-CD2 4.39Å; A144-Y215 HydrophobicContact CB-CD1 3.92Å; A144-Y215 HydrophobicContact CB-CG 4.09Å; A144-Y215 VanDerWaalsContact O-CB 3.32Å; A144-Y215 WeakPolarHBondContact O-CB 3.43Å; V146-Y215 HydrophobicContact CG2-CD2 3.77Å; V146-Y215 HydrophobicContact CG2-CG 4.46Å; Y215-A217 HydrophobicContact CD1-CB 4.46Å; Y215-A217 HydrophobicContact CE1-CB 4.43Å; Y215-A217 PolarHBondContact O-N 2.92Å
216V90.5Very high91.2Very high27 Ų2745 Ų4516%0.16422%0.223CC..  trans-80.698.7173.4-171.70000106.9P201 S214 S219 V286P201-V216 HydrophobicContact CG-CG2 4.25Å; S214-V216 PolarHBondContact O-N 2.83Å; V216-S219 WeakPolarHBondContact CB-OG 3.43Å; V216-S219 WeakPolarHBondContact CG1-OG 3.42Å; V216-S219 PolarHBondContact O-OG 2.88Å; V216-V286 HydrophobicContact CG1-CG2 4.39Å; V216-V286 HydrophobicContact CG2-CG1 4.41Å
217A84.4Confident90.8Very high52 Ų5245.6 Ų45.643%0.4323%0.232SC..THydrogen-bonded Turntrans-58.9150.6-179.600000111.7Y215 S219Y215-A217 HydrophobicContact CD1-CB 4.46Å; Y215-A217 HydrophobicContact CE1-CB 4.43Å; Y215-A217 PolarHBondContact O-N 2.92Å; A217-S219 PolarHBondContact O-N 3.14Å
218D82.9Confident90.2Very high137 Ų13748 Ų4873%0.73325%0.252SS*.THydrogen-bonded Turntrans45.542.8170.3-52.2-48.8000114
219S87.9Confident89.6Confident19 Ų1949.7 Ų49.713%0.13326%0.263CS..  trans-123.4146.8-174.970.70000113.2V216 A217 M268 V269V216-S219 WeakPolarHBondContact CB-OG 3.43Å; V216-S219 WeakPolarHBondContact CG1-OG 3.42Å; V216-S219 PolarHBondContact O-OG 2.88Å; A217-S219 PolarHBondContact O-N 3.14Å; S219-M268 WeakPolarHBondContact OG-CE 3.25Å; S219-V269 CarbonylContact C-O 3.6Å; S219-V269 WeakPolarHBondContact CA-O 3.44Å; S219-V269 VanDerWaalsContact CB-O 3.31Å; S219-V269 WeakPolarHBondContact CB-O 3.34Å
220L90Very high89.1Confident81 Ų8149.7 Ų49.742%0.42426%0.263SS..EExtended strand (participates in β ladder)trans-127.3138.5179.7-66.8174.5000110L222 M268 V269L220-L222 PolarHBondContact O-N 3.35Å; L220-M268 CarbonylContact O-C 3.57Å; L220-M268 WeakPolarHBondContact O-CA 3.34Å; L220-V269 PolarHBondContact N-O 2.72Å; L220-V269 PolarHBondContact O-N 2.86Å
221P90.5Very high88.5Confident23 Ų2353.1 Ų53.115%0.14928%0.281CS..EExtended strand (participates in β ladder)trans-54.7137.2164.1-2535.7000110.5Y223 R224 L267 M268P221-Y223 HydrophobicContact CB-CD1 3.49Å; P221-Y223 VanDerWaalsContact CB-CD1 3.49Å; P221-Y223 HydrophobicContact CB-CE1 3.52Å; P221-Y223 HydrophobicContact CG-CE1 4.1Å; P221-Y223 PolarHBondContact O-N 3.01Å; P221-Y223 VanDerWaalsContact O-N 3.14Å; P221-R224 WeakPolarHBondContact O-CB 3.25Å; P221-R224 PolarHBondContact O-N 2.99Å; P221-L267 CarbonylContact C-O 3.53Å; P221-L267 WeakPolarHBondContact CA-O 3.45Å; P221-M268 HydrophobicContact CG-CE 4.38Å; P221-M268 HydrophobicContact CG-CG 4.49Å
222L90.6Very high87.7Confident2 Ų254.8 Ų54.81%0.0129%0.293CS..G310 helixtrans-54.3-38-172.6177.758.1000112.3L220 R224 I225 L241 E264 L267 V269 L285 F315 F316L220-L222 PolarHBondContact O-N 3.35Å; L222-R224 PolarHBondContact O-N 2.66Å; L222-R224 VanDerWaalsContact O-N 3.08Å; L222-I225 HydrophobicContact CD1-CD1 3.93Å; L222-I225 PolarHBondContact O-N 3.31Å; L222-I225 VanDerWaalsContact O-N 3.11Å; L222-L241 HydrophobicContact CD1-CD1 4.22Å; L222-E264 HydrophobicContact CB-CB 4.29Å; L222-E264 HydrophobicContact CD2-CB 4.26Å; L222-E264 HydrophobicContact CG-CB 4.17Å; L222-E264 PolarHBondContact N-O 3.47Å; L222-L267 HydrophobicContact CB-CB 4.3Å; L222-L267 WeakPolarHBondContact CB-O 3.46Å; L222-L267 HydrophobicContact CD2-CB 4.33Å; L222-L267 HydrophobicContact CD2-CD1 4.25Å; L222-L267 PolarHBondContact N-O 2.69Å; L222-V269 HydrophobicContact CD1-CG2 4.18Å; L222-L285 HydrophobicContact CD2-CD1 4.47Å; L222-F315 HydrophobicContact CD1-CE1 3.79Å; L222-F315 HydrophobicContact CD1-CZ 4.09Å; L222-F315 HydrophobicContact CD2-CD1 3.99Å; L222-F315 HydrophobicContact CD2-CE1 3.7Å; L222-F315 HydrophobicContact CD2-CZ 4.27Å; L222-F315 HydrophobicContact CG-CD1 4.36Å; L222-F315 HydrophobicContact CG-CE1 3.6Å; L222-F315 HydrophobicContact CG-CZ 3.75Å; L222-F316 HydrophobicContact CD1-CZ 4.43Å; L222-F316 HydrophobicContact CD2-CE2 4.07Å; L222-F316 HydrophobicContact CD2-CZ 3.7Å
223Y88.9Confident87Confident102 Ų10259.7 Ų59.740%0.432%0.319SS..G310 helixtrans-59.6-17.3175.489.7-90000115.2P221 E264 F265P221-Y223 HydrophobicContact CB-CD1 3.49Å; P221-Y223 VanDerWaalsContact CB-CD1 3.49Å; P221-Y223 HydrophobicContact CB-CE1 3.52Å; P221-Y223 HydrophobicContact CG-CE1 4.1Å; P221-Y223 PolarHBondContact O-N 3.01Å; P221-Y223 VanDerWaalsContact O-N 3.14Å; Y223-E264 PolarHBondContact N-O 3.2Å; Y223-F265 HydrophobicContact CD1-CB 4.5Å; Y223-F265 AromaticContact CD1-CD1 3.43Å; Y223-F265 HydrophobicContact CD1-CD1 3.43Å; Y223-F265 VanDerWaalsContact CD1-CD1 3.43Å; Y223-F265 AromaticContact CD1-CE1 3.96Å; Y223-F265 HydrophobicContact CD1-CE1 3.96Å; Y223-F265 HydrophobicContact CD1-CG 4.27Å; Y223-F265 HydrophobicContact CD2-CD1 4.08Å; Y223-F265 AromaticContact CD2-CE1 3.73Å; Y223-F265 HydrophobicContact CD2-CE1 3.73Å; Y223-F265 AromaticContact CE1-CD1 3.87Å; Y223-F265 HydrophobicContact CE1-CD1 3.87Å; Y223-F265 HydrophobicContact CE1-CE1 4.45Å; Y223-F265 HydrophobicContact CE2-CD1 4.45Å; Y223-F265 HydrophobicContact CE2-CE1 4.24Å; Y223-F265 AromaticContact CG-CD1 3.55Å; Y223-F265 HydrophobicContact CG-CD1 3.55Å; Y223-F265 AromaticContact CG-CE1 3.57Å; Y223-F265 HydrophobicContact CG-CE1 3.57Å
224R89.1Confident86.2Confident135 Ų13567.1 Ų67.151%0.50935%0.354SS..G310 helixtrans-93.4-12.7178.3-63.5-165.2-178.6-171.51.9114P221 L222 L226P221-R224 WeakPolarHBondContact O-CB 3.25Å; P221-R224 PolarHBondContact O-N 2.99Å; L222-R224 PolarHBondContact O-N 2.66Å; L222-R224 VanDerWaalsContact O-N 3.08Å; R224-L226 PolarHBondContact O-N 2.95Å
225I86.9Confident85.7Confident9 Ų966.9 Ų66.95%0.04635%0.352CS..SBendtrans-70.3126.8179.5-53.9-179.2000107.9L222 I229 L230 L241 V269 L272L222-I225 HydrophobicContact CD1-CD1 3.93Å; L222-I225 PolarHBondContact O-N 3.31Å; L222-I225 VanDerWaalsContact O-N 3.11Å; I225-I229 HydrophobicContact CG2-CB 4.14Å; I225-I229 HydrophobicContact CG2-CG2 4.25Å; I225-L230 HydrophobicContact CB-CD1 4.24Å; I225-L230 HydrophobicContact CB-CG 4.28Å; I225-L230 HydrophobicContact CG2-CD1 4.28Å; I225-L230 HydrophobicContact CG2-CD2 4.05Å; I225-L230 HydrophobicContact CG2-CG 3.79Å; I225-L241 HydrophobicContact CD1-CD1 4.47Å; I225-V269 HydrophobicContact CD1-CB 3.92Å; I225-V269 HydrophobicContact CD1-CG1 4.47Å; I225-V269 HydrophobicContact CD1-CG2 3.69Å; I225-L272 HydrophobicContact CD1-CD1 3.76Å; I225-L272 HydrophobicContact CG1-CD1 4.27Å
226L83.9Confident85.4Confident103 Ų10364.5 Ų64.554%0.53935%0.352SS..  trans-62.2135.6-176.4-63.8176.4000110.3R224 S228 I229 L230R224-L226 PolarHBondContact O-N 2.95Å; L226-S228 PolarHBondContact O-N 3.47Å; L226-I229 HydrophobicContact CB-CD1 3.97Å; L226-I229 HydrophobicContact CB-CG1 4.09Å; L226-I229 HydrophobicContact CD1-CD1 4.3Å; L226-I229 HydrophobicContact CG-CD1 4.33Å; L226-I229 WeakPolarHBondContact O-CB 3.32Å; L226-I229 PolarHBondContact O-N 2.85Å; L226-L230 PolarHBondContact O-N 3.17Å
227P84.4Confident85.2Confident73 Ų7364.2 Ų64.247%0.47435%0.349SS..Hα-helixtrans-56-25.3176.9-30.537.1000114.8I229 N231 Y319P227-I229 VanDerWaalsContact C-N 3.34Å; P227-N231 VanDerWaalsContact O-CB 3.32Å; P227-N231 WeakPolarHBondContact O-CB 3.39Å; P227-N231 PolarHBondContact O-N 2.88Å; P227-N231 PolarHBondContact O-ND2 3.37Å; P227-Y319 HydrophobicContact CB-CE1 3.99Å
228S82.3Confident85.5Confident84 Ų8461.7 Ų61.759%0.58733%0.329SS*.Hα-helixtrans-67-31.3172.747.80000113.7L226 S232L226-S228 PolarHBondContact O-N 3.47Å; S228-S232 PolarHBondContact O-N 2.78Å
229I83Confident85.9Confident71 Ų7159.4 Ų59.436%0.36431%0.31SS..Hα-helixtrans-78.3-44.1177.1-56.3170.8000109.2I225 L226 P227 N231 S232 L237I225-I229 HydrophobicContact CG2-CB 4.14Å; I225-I229 HydrophobicContact CG2-CG2 4.25Å; L226-I229 HydrophobicContact CB-CD1 3.97Å; L226-I229 HydrophobicContact CB-CG1 4.09Å; L226-I229 HydrophobicContact CD1-CD1 4.3Å; L226-I229 HydrophobicContact CG-CD1 4.33Å; L226-I229 WeakPolarHBondContact O-CB 3.32Å; L226-I229 PolarHBondContact O-N 2.85Å; P227-I229 VanDerWaalsContact C-N 3.34Å; I229-N231 VanDerWaalsContact C-N 3.31Å; I229-N231 PolarHBondContact O-N 2.79Å; I229-S232 VanDerWaalsContact O-CB 3.29Å; I229-S232 WeakPolarHBondContact O-CB 3.4Å; I229-S232 PolarHBondContact O-N 3.02Å; I229-S232 VanDerWaalsContact O-N 3.07Å; I229-S232 PolarHBondContact O-OG 2.9Å; I229-L237 HydrophobicContact CG2-CD2 3.71Å
230L84.1Confident86Confident0 Ų060.3 Ų60.30%032%0.316CS..Hα-helixtrans-64.7-32.2177.4-69.9171.9000113.4I225 L226 S235 L237 A238 L241 F315 Y319I225-L230 HydrophobicContact CB-CD1 4.24Å; I225-L230 HydrophobicContact CB-CG 4.28Å; I225-L230 HydrophobicContact CG2-CD1 4.28Å; I225-L230 HydrophobicContact CG2-CD2 4.05Å; I225-L230 HydrophobicContact CG2-CG 3.79Å; L226-L230 PolarHBondContact O-N 3.17Å; L230-S235 WeakPolarHBondContact O-CA 3.33Å; L230-L237 HydrophobicContact CD2-CD2 4.06Å; L230-L237 HydrophobicContact CD2-CG 4.17Å; L230-A238 HydrophobicContact CB-CB 4.45Å; L230-A238 HydrophobicContact CD2-CB 4.49Å; L230-A238 WeakPolarHBondContact O-CB 3.31Å; L230-L241 HydrophobicContact CD2-CD1 3.92Å; L230-F315 HydrophobicContact CD1-CE1 4.25Å; L230-F315 HydrophobicContact CD1-CZ 4.08Å; L230-Y319 HydrophobicContact CB-CD1 3.54Å; L230-Y319 HydrophobicContact CB-CE1 3.6Å; L230-Y319 HydrophobicContact CB-CG 4.13Å; L230-Y319 HydrophobicContact CD1-CD1 4.36Å; L230-Y319 HydrophobicContact CD1-CE1 3.71Å; L230-Y319 HydrophobicContact CD1-CE2 3.97Å; L230-Y319 VanDerWaalsContact CD1-CZ 3.47Å; L230-Y319 HydrophobicContact CG-CE1 4.31Å
231N83.1Confident86.2Confident73 Ų7356.4 Ų56.439%0.3930%0.296SS..THydrogen-bonded Turntrans-85.3-0.9172.8-71.9-51000114.4P227 I229 S235 Y319P227-N231 VanDerWaalsContact O-CB 3.32Å; P227-N231 WeakPolarHBondContact O-CB 3.39Å; P227-N231 PolarHBondContact O-N 2.88Å; P227-N231 PolarHBondContact O-ND2 3.37Å; I229-N231 VanDerWaalsContact C-N 3.31Å; I229-N231 PolarHBondContact O-N 2.79Å; N231-S235 WeakPolarHBondContact CA-OG 3.47Å; N231-S235 PolarHBondContact OD1-OG 3.12Å; N231-Y319 WeakPolarHBondContact OD1-CA 3.2Å; N231-Y319 PolarHBondContact OD1-O 3.18Å
232S79.9Confident86.4Confident35 Ų3555.4 Ų55.425%0.24529%0.289CS..Hα-helixtrans-68.4151179.671.20000111.6S228 I229 E234 S235 A236S228-S232 PolarHBondContact O-N 2.78Å; I229-S232 VanDerWaalsContact O-CB 3.29Å; I229-S232 WeakPolarHBondContact O-CB 3.4Å; I229-S232 PolarHBondContact O-N 3.02Å; I229-S232 VanDerWaalsContact O-N 3.07Å; I229-S232 PolarHBondContact O-OG 2.9Å; S232-E234 PolarHBondContact O-N 3.36Å; S232-S235 WeakPolarHBondContact O-CA 3.39Å; S232-S235 PolarHBondContact O-N 2.97Å; S232-A236 PolarHBondContact O-N 3.4Å
233N80.1Confident86.5Confident103 Ų10360.3 Ų60.355%0.55131%0.308SS*.Hα-helixtrans43.663.9-178.8-67.910.3000112.9S235 A236 M278N233-S235 PolarHBondContact O-N 2.93Å; N233-S235 VanDerWaalsContact O-N 3.13Å; N233-A236 VanDerWaalsContact O-CB 3.22Å; N233-A236 WeakPolarHBondContact O-CB 3.48Å; N233-A236 PolarHBondContact O-N 3.48Å; N233-M278 HydrophobicContact CB-CE 4.41Å
234E80.2Confident86.8Confident169 Ų16957.6 Ų57.679%0.7930%0.299SS*.Hα-helixtrans55.128.1-178.6-54.7-173.5166.900114S232 A236 R239S232-E234 PolarHBondContact O-N 3.36Å; E234-A236 VanDerWaalsContact C-N 3.33Å; E234-A236 PolarHBondContact O-N 3.36Å; E234-R239 PolarHBondContact O-NH1 2.86Å; E234-R239 PolarHBondContact O-NH2 2.85Å
235S83.5Confident87.1Confident10 Ų1051.2 Ų51.27%0.0728%0.275CS..Hα-helixtrans65.726.2-174.7-45.80000114.8L230 N231 S232 N233 L237 A238 R239 Y319L230-S235 WeakPolarHBondContact O-CA 3.33Å; N231-S235 WeakPolarHBondContact CA-OG 3.47Å; N231-S235 PolarHBondContact OD1-OG 3.12Å; S232-S235 WeakPolarHBondContact O-CA 3.39Å; S232-S235 PolarHBondContact O-N 2.97Å; N233-S235 PolarHBondContact O-N 2.93Å; N233-S235 VanDerWaalsContact O-N 3.13Å; S235-L237 VanDerWaalsContact C-N 3.27Å; S235-L237 PolarHBondContact O-N 3.29Å; S235-A238 PolarHBondContact O-N 3.22Å; S235-A238 VanDerWaalsContact O-N 3.09Å; S235-R239 PolarHBondContact O-N 2.98Å; S235-Y319 VanDerWaalsContact CB-O 3.3Å; S235-Y319 WeakPolarHBondContact CB-O 3.46Å; S235-Y319 PolarHBondContact OG-O 3.38Å
236A86.3Confident87.5Confident47 Ų4752.1 Ų52.139%0.38828%0.279SS..Hα-helixtrans-55.7-38.8179.100000113.2S232 N233 E234 R239 S240S232-A236 PolarHBondContact O-N 3.4Å; N233-A236 VanDerWaalsContact O-CB 3.22Å; N233-A236 WeakPolarHBondContact O-CB 3.48Å; N233-A236 PolarHBondContact O-N 3.48Å; E234-A236 VanDerWaalsContact C-N 3.33Å; E234-A236 PolarHBondContact O-N 3.36Å; A236-R239 PolarHBondContact O-N 3.25Å; A236-S240 PolarHBondContact O-N 3.19Å
237L87.3Confident88Confident20 Ų2050.7 Ų50.711%0.10527%0.272CS..Hα-helixtrans-60.1-50.1173.8175.662.1000111.6I229 L230 S235 R239 S240 L241 L272 P283I229-L237 HydrophobicContact CG2-CD2 3.71Å; L230-L237 HydrophobicContact CD2-CD2 4.06Å; L230-L237 HydrophobicContact CD2-CG 4.17Å; S235-L237 VanDerWaalsContact C-N 3.27Å; S235-L237 PolarHBondContact O-N 3.29Å; L237-R239 VanDerWaalsContact C-N 3.27Å; L237-R239 PolarHBondContact O-N 3.31Å; L237-S240 PolarHBondContact O-N 3.22Å; L237-L241 HydrophobicContact CD1-CD1 3.84Å; L237-L241 HydrophobicContact CD1-CG 4.05Å; L237-L241 HydrophobicContact CG-CD1 3.96Å; L237-L241 HydrophobicContact CG-CG 4.49Å; L237-L241 WeakPolarHBondContact O-CG 3.4Å; L237-L241 PolarHBondContact O-N 3.31Å; L237-L272 HydrophobicContact CD1-CD2 4.34Å; L237-L272 HydrophobicContact CD2-CD2 4.45Å; L237-P283 HydrophobicContact CD1-CB 4.38Å; L237-P283 HydrophobicContact CD1-CG 3.44Å; L237-P283 VanDerWaalsContact CD1-CG 3.44Å
238A89.9Confident88.5Confident0 Ų047.4 Ų47.40%025%0.25CS..Hα-helixtrans-61-36.2179.300000112L230 S235 Y242 F316 Y319 F320L230-A238 HydrophobicContact CB-CB 4.45Å; L230-A238 HydrophobicContact CD2-CB 4.49Å; L230-A238 WeakPolarHBondContact O-CB 3.31Å; S235-A238 PolarHBondContact O-N 3.22Å; S235-A238 VanDerWaalsContact O-N 3.09Å; A238-Y242 VanDerWaalsContact O-CB 3.28Å; A238-Y242 WeakPolarHBondContact O-CB 3.39Å; A238-Y242 PolarHBondContact O-N 2.87Å; A238-F316 HydrophobicContact CB-CD1 4.26Å; A238-F316 WeakPolarHBondContact O-CD1 3.36Å; A238-F316 WeakPolarHBondContact O-CE1 3.4Å; A238-Y319 HydrophobicContact CB-CG 4.31Å; A238-F320 HydrophobicContact CB-CD1 3.9Å; A238-F320 HydrophobicContact CB-CE1 3.96Å
239R91.1Very high89.2Confident89 Ų8943.5 Ų43.534%0.33622%0.223SC..Hα-helixtrans-64.2-47.5173.2-63.5-163.8-167.981.513.3112.4E234 S235 A236 L237 L241 Y242 Y243 F320E234-R239 PolarHBondContact O-NH1 2.86Å; E234-R239 PolarHBondContact O-NH2 2.85Å; S235-R239 PolarHBondContact O-N 2.98Å; A236-R239 PolarHBondContact O-N 3.25Å; L237-R239 VanDerWaalsContact C-N 3.27Å; L237-R239 PolarHBondContact O-N 3.31Å; R239-L241 PolarHBondContact O-N 3.44Å; R239-Y242 PolarHBondContact O-N 3.26Å; R239-Y243 HydrophobicContact CB-CE2 4.34Å; R239-Y243 WeakPolarHBondContact O-CD2 3.26Å; R239-Y243 PolarHBondContact O-N 3.13Å; R239-F320 HydrophobicContact CB-CE1 4.5Å; R239-F320 HydrophobicContact CB-CZ 4.36Å; R239-F320 HydrophobicContact CG-CD1 3.94Å; R239-F320 HydrophobicContact CG-CD2 3.79Å; R239-F320 HydrophobicContact CG-CE1 3.92Å; R239-F320 HydrophobicContact CG-CE2 3.76Å; R239-F320 HydrophobicContact CG-CG 3.89Å; R239-F320 HydrophobicContact CG-CZ 3.84Å
240S91.3Very high89.7Confident37 Ų3742.2 Ų42.226%0.25922%0.215SC..Hα-helixtrans-58.5-46.9177.7-178.60000111.8A236 L237 Y242 Y243 Q244A236-S240 PolarHBondContact O-N 3.19Å; L237-S240 PolarHBondContact O-N 3.22Å; S240-Y242 PolarHBondContact O-N 3.32Å; S240-Y243 PolarHBondContact O-N 3.01Å; S240-Q244 WeakPolarHBondContact O-CG 3.34Å; S240-Q244 PolarHBondContact O-N 3.17Å; S240-Q244 VanDerWaalsContact O-N 3.1Å; S240-Q244 PolarHBondContact OG-NE2 3.08Å
241L93.2Very high90.3Very high0 Ų045.6 Ų45.60%023%0.228CC..Hα-helixtrans-67.6-34.5179.1-62.5176.1000112.5L222 I225 L230 L237 R239 Q244 A245 V269 P283 L285 F316L222-L241 HydrophobicContact CD1-CD1 4.22Å; I225-L241 HydrophobicContact CD1-CD1 4.47Å; L230-L241 HydrophobicContact CD2-CD1 3.92Å; L237-L241 HydrophobicContact CD1-CD1 3.84Å; L237-L241 HydrophobicContact CD1-CG 4.05Å; L237-L241 HydrophobicContact CG-CD1 3.96Å; L237-L241 HydrophobicContact CG-CG 4.49Å; L237-L241 WeakPolarHBondContact O-CG 3.4Å; L237-L241 PolarHBondContact O-N 3.31Å; R239-L241 PolarHBondContact O-N 3.44Å; L241-Q244 PolarHBondContact O-N 3.16Å; L241-A245 WeakPolarHBondContact O-CB 3.37Å; L241-A245 PolarHBondContact O-N 3.19Å; L241-V269 HydrophobicContact CD1-CG1 4.34Å; L241-V269 HydrophobicContact CD1-CG2 4.05Å; L241-V269 HydrophobicContact CD2-CB 4.47Å; L241-V269 HydrophobicContact CD2-CG1 3.63Å; L241-V269 HydrophobicContact CD2-CG2 3.94Å; L241-P283 HydrophobicContact CD2-CG 4.39Å; L241-L285 HydrophobicContact CB-CD1 4.15Å; L241-L285 HydrophobicContact CD2-CB 4.36Å; L241-L285 HydrophobicContact CD2-CD1 4.19Å; L241-F316 HydrophobicContact CB-CE1 3.76Å; L241-F316 HydrophobicContact CB-CZ 3.77Å
242Y94.5Very high90.8Very high1 Ų142.2 Ų42.20%0.00421%0.21CC..Hα-helixtrans-61.6-49.4172.8174.4-104.9000112.1A238 R239 S240 Q244 A245 K246 V312 V313 F316 F320 I322 D326 P328A238-Y242 VanDerWaalsContact O-CB 3.28Å; A238-Y242 WeakPolarHBondContact O-CB 3.39Å; A238-Y242 PolarHBondContact O-N 2.87Å; R239-Y242 PolarHBondContact O-N 3.26Å; S240-Y242 PolarHBondContact O-N 3.32Å; Y242-Q244 VanDerWaalsContact C-N 3.3Å; Y242-Q244 PolarHBondContact O-N 3.04Å; Y242-A245 PolarHBondContact O-N 3.32Å; Y242-K246 PolarHBondContact O-N 3.38Å; Y242-V312 HydrophobicContact CD2-CG1 4.05Å; Y242-V312 HydrophobicContact CE2-CG1 4.06Å; Y242-V313 HydrophobicContact CE2-CG2 4.15Å; Y242-F316 HydrophobicContact CD2-CB 3.69Å; Y242-F316 AromaticContact CD2-CD2 3.69Å; Y242-F316 HydrophobicContact CD2-CD2 3.69Å; Y242-F316 AromaticContact CD2-CG 3.82Å; Y242-F316 HydrophobicContact CD2-CG 3.82Å; Y242-F316 HydrophobicContact CG-CB 4.25Å; Y242-F316 HydrophobicContact CG-CD2 4.38Å; Y242-F316 HydrophobicContact CG-CG 4.26Å; Y242-F320 HydrophobicContact CD1-CZ 4.02Å; Y242-F320 AromaticContact CG-CZ 3.87Å; Y242-F320 HydrophobicContact CG-CZ 3.87Å; Y242-I322 HydrophobicContact CD2-CD1 4.1Å; Y242-I322 HydrophobicContact CE1-CG1 4.47Å; Y242-I322 HydrophobicContact CE1-CG2 3.9Å; Y242-I322 HydrophobicContact CE2-CD1 3.74Å; Y242-I322 HydrophobicContact CE2-CG1 4.46Å; Y242-D326 PolarHBondContact OH-O 3.48Å; Y242-P328 WeakPolarHBondContact OH-CD 3.4Å
243Y93.7Very high91.5Very high105 Ų10540.6 Ų40.641%0.41220%0.199SC..Hα-helixtrans-62.6-36.7178.6-70.9-60.3000112.2R239 S240 K246 D247 D326R239-Y243 HydrophobicContact CB-CE2 4.34Å; R239-Y243 WeakPolarHBondContact O-CD2 3.26Å; R239-Y243 PolarHBondContact O-N 3.13Å; S240-Y243 PolarHBondContact O-N 3.01Å; Y243-K246 PolarHBondContact O-N 2.75Å; Y243-D247 WeakPolarHBondContact O-CB 3.22Å; Y243-D247 PolarHBondContact O-N 3.38Å; Y243-D326 HydrophobicContact CE1-CB 4.36Å; Y243-D326 PolarHBondContact OH-OD2 3.01Å
244Q94.5Very high92.2Very high46 Ų4636.2 Ų36.222%0.21518%0.176CC..Hα-helixtrans-67-41.1173.4-68.5178.460.400112.6S240 L241 Y242 K246 D247 I248 P283 L285S240-Q244 WeakPolarHBondContact O-CG 3.34Å; S240-Q244 PolarHBondContact O-N 3.17Å; S240-Q244 VanDerWaalsContact O-N 3.1Å; S240-Q244 PolarHBondContact OG-NE2 3.08Å; L241-Q244 PolarHBondContact O-N 3.16Å; Y242-Q244 VanDerWaalsContact C-N 3.3Å; Y242-Q244 PolarHBondContact O-N 3.04Å; Q244-K246 VanDerWaalsContact C-N 3.35Å; Q244-D247 PolarHBondContact O-N 2.87Å; Q244-I248 WeakPolarHBondContact O-CD1 3.27Å; Q244-I248 VanDerWaalsContact O-CG1 3.29Å; Q244-I248 WeakPolarHBondContact O-CG1 3.34Å; Q244-I248 PolarHBondContact O-N 2.74Å; Q244-P283 PolarHBondContact NE2-O 3.14Å; Q244-P283 PolarHBondContact OE1-O 2.91Å; Q244-L285 HydrophobicContact CB-CB 3.93Å
245A95.3Very high92.9Very high1 Ų128.6 Ų28.61%0.00814%0.141CC..Hα-helixtrans-64.8-38.1175.300000112.1L241 Y242 L249 L267 L285 V312 F316L241-A245 WeakPolarHBondContact O-CB 3.37Å; L241-A245 PolarHBondContact O-N 3.19Å; Y242-A245 PolarHBondContact O-N 3.32Å; A245-L249 WeakPolarHBondContact O-CB 3.26Å; A245-L249 PolarHBondContact O-N 2.81Å; A245-L267 HydrophobicContact CB-CD1 4.24Å; A245-L285 HydrophobicContact CB-CD1 4.45Å; A245-L285 HydrophobicContact CB-CD2 4.2Å; A245-V312 HydrophobicContact CB-CG1 3.79Å; A245-F316 HydrophobicContact CB-CE2 4.1Å
246K95.2Very high93.3Very high28 Ų2828.1 Ų28.112%0.12214%0.137CC..Hα-helixtrans-63.6-49172.1179.5177.9175.7173.50111.7Y242 Y243 Q244 I248 L249 E250 D326 L327Y242-K246 PolarHBondContact O-N 3.38Å; Y243-K246 PolarHBondContact O-N 2.75Å; Q244-K246 VanDerWaalsContact C-N 3.35Å; K246-I248 VanDerWaalsContact C-N 3.32Å; K246-I248 PolarHBondContact O-N 3.05Å; K246-L249 PolarHBondContact O-N 3.08Å; K246-E250 WeakPolarHBondContact CE-OE1 3.44Å; K246-E250 HydrophobicContact CG-CG 4.27Å; K246-E250 WeakPolarHBondContact O-CG 3.39Å; K246-E250 PolarHBondContact O-N 2.85Å; K246-D326 WeakPolarHBondContact CD-O 3.3Å; K246-D326 VanDerWaalsContact NZ-C 3.3Å; K246-D326 PolarHBondContact NZ-O 2.82Å; K246-L327 WeakPolarHBondContact CE-O 3.47Å; K246-L327 PolarHBondContact NZ-O 3.38Å
247D95Very high93.6Very high73 Ų7325.9 Ų25.939%0.3912%0.119SC..Hα-helixtrans-55.7-45.9177.1177.970.4000111.6Y243 Q244 R251Y243-D247 WeakPolarHBondContact O-CB 3.22Å; Y243-D247 PolarHBondContact O-N 3.38Å; Q244-D247 PolarHBondContact O-N 2.87Å; D247-R251 WeakPolarHBondContact O-CB 3.43Å; D247-R251 WeakPolarHBondContact O-CD 3.46Å; D247-R251 WeakPolarHBondContact O-CG 3.37Å; D247-R251 PolarHBondContact O-N 2.86Å; D247-R251 WeakPolarHBondContact OD1-CD 3.46Å; D247-R251 WeakPolarHBondContact OD2-CD 3.44Å; D247-R251 IonicContact OD2-CZ 3.35Å; D247-R251 IonicContact OD2-NE 2.81Å; D247-R251 IonicContact OD2-NH1 3.5Å; D247-R251 PolarHBondContact OD2-NH1 3.14Å
248I95.7Very high93.9Very high3 Ų324.9 Ų24.92%0.01511%0.114CC..Hα-helixtrans-62.7-46.5177.6-70.1162.7000111.4I198 P199 Q244 K246 R251 V252 L285 L287I198-I248 HydrophobicContact CG2-CG2 4.36Å; P199-I248 HydrophobicContact CG-CD1 3.57Å; P199-I248 HydrophobicContact CG-CG1 3.88Å; Q244-I248 WeakPolarHBondContact O-CD1 3.27Å; Q244-I248 VanDerWaalsContact O-CG1 3.29Å; Q244-I248 WeakPolarHBondContact O-CG1 3.34Å; Q244-I248 PolarHBondContact O-N 2.74Å; K246-I248 VanDerWaalsContact C-N 3.32Å; K246-I248 PolarHBondContact O-N 3.05Å; I248-R251 PolarHBondContact O-N 2.8Å; I248-V252 WeakPolarHBondContact O-CB 3.4Å; I248-V252 VanDerWaalsContact O-CG2 3.25Å; I248-V252 WeakPolarHBondContact O-CG2 3.19Å; I248-V252 PolarHBondContact O-N 3.31Å; I248-L285 HydrophobicContact CD1-CD2 3.44Å; I248-L285 VanDerWaalsContact CD1-CD2 3.44Å; I248-L287 HydrophobicContact CG2-CB 4.29Å; I248-L287 HydrophobicContact CG2-CD2 3.95Å
249L95.4Very high94Very high2 Ų225 Ų251%0.0111%0.114CC..Hα-helixtrans-60.8-49178.6175.160.1000111.9A245 K246 V252 A253 L262 Y305 D308 A309 P328A245-L249 WeakPolarHBondContact O-CB 3.26Å; A245-L249 PolarHBondContact O-N 2.81Å; K246-L249 PolarHBondContact O-N 3.08Å; L249-V252 PolarHBondContact O-N 3.32Å; L249-A253 PolarHBondContact O-N 3.23Å; L249-A253 VanDerWaalsContact O-N 3.1Å; L249-L262 HydrophobicContact CB-CD2 3.82Å; L249-L262 HydrophobicContact CD1-CD2 3.83Å; L249-L262 HydrophobicContact CD2-CD2 4.39Å; L249-L262 HydrophobicContact CG-CD2 4.21Å; L249-Y305 HydrophobicContact CD1-CD2 3.79Å; L249-Y305 HydrophobicContact CD1-CE2 3.43Å; L249-Y305 VanDerWaalsContact CD1-CE2 3.43Å; L249-Y305 HydrophobicContact CD2-CE2 4.34Å; L249-Y305 HydrophobicContact CG-CD2 4.47Å; L249-Y305 HydrophobicContact CG-CE2 3.65Å; L249-D308 HydrophobicContact CD1-CB 4.26Å; L249-A309 HydrophobicContact CD2-CB 3.84Å; L249-P328 HydrophobicContact CD2-CB 4.08Å; L249-P328 HydrophobicContact CD2-CG 4.39Å
250E95.2Very high93.8Very high44 Ų4420.8 Ų20.821%0.20610%0.098CC..Hα-helixtrans-69.6-36.5-179.1-67.5-174.9165.200111.9K246 A253 S254 S329 I334K246-E250 WeakPolarHBondContact CE-OE1 3.44Å; K246-E250 HydrophobicContact CG-CG 4.27Å; K246-E250 WeakPolarHBondContact O-CG 3.39Å; K246-E250 PolarHBondContact O-N 2.85Å; E250-A253 WeakPolarHBondContact O-CB 3.38Å; E250-A253 PolarHBondContact O-N 2.85Å; E250-S254 PolarHBondContact O-N 2.91Å; E250-S329 WeakPolarHBondContact OE1-CB 3.37Å; E250-S329 PolarHBondContact OE1-N 3.21Å; E250-S329 PolarHBondContact OE1-OG 3.06Å; E250-I334 HydrophobicContact CB-CD1 4.19Å; E250-I334 HydrophobicContact CG-CD1 4.01Å
251R95.3Very high93.7Very high71 Ų7121 Ų2127%0.26810%0.097SC..Hα-helixtrans-69.8-39.8175.2-73.4167.863.9-1620.8112.3K196 G197 I198 D247 I248 A253 S254 L255K196-R251 PolarHBondContact O-NH2 3.05Å; K196-R251 VanDerWaalsContact O-NH2 3.08Å; G197-R251 PolarHBondContact O-NH2 3.01Å; I198-R251 HydrophobicContact CD1-CB 4.41Å; I198-R251 HydrophobicContact CG1-CB 4.5Å; D247-R251 WeakPolarHBondContact O-CB 3.43Å; D247-R251 WeakPolarHBondContact O-CD 3.46Å; D247-R251 WeakPolarHBondContact O-CG 3.37Å; D247-R251 PolarHBondContact O-N 2.86Å; D247-R251 WeakPolarHBondContact OD1-CD 3.46Å; D247-R251 WeakPolarHBondContact OD2-CD 3.44Å; D247-R251 IonicContact OD2-CZ 3.35Å; D247-R251 IonicContact OD2-NE 2.81Å; D247-R251 IonicContact OD2-NH1 3.5Å; D247-R251 PolarHBondContact OD2-NH1 3.14Å; I248-R251 PolarHBondContact O-N 2.8Å; R251-A253 VanDerWaalsContact C-N 3.3Å; R251-A253 PolarHBondContact O-N 3.42Å; R251-S254 WeakPolarHBondContact CA-OG 3.3Å; R251-S254 WeakPolarHBondContact O-CB 3.39Å; R251-S254 PolarHBondContact O-N 2.83Å; R251-S254 VanDerWaalsContact O-N 3.09Å; R251-S254 PolarHBondContact O-OG 2.81Å; R251-L255 WeakPolarHBondContact O-CG 3.46Å; R251-L255 PolarHBondContact O-N 2.97Å; R251-L255 VanDerWaalsContact O-N 3.13Å
252V95Very high93.6Very high3 Ų321.3 Ų21.32%0.01810%0.098CC..Hα-helixtrans-55.4-47.1170.3161.50000110.5L193 I198 I248 L249 S254 L255 L257 L287 M293L193-V252 HydrophobicContact CD2-CG2 4.36Å; I198-V252 HydrophobicContact CD1-CG2 3.97Å; I248-V252 WeakPolarHBondContact O-CB 3.4Å; I248-V252 VanDerWaalsContact O-CG2 3.25Å; I248-V252 WeakPolarHBondContact O-CG2 3.19Å; I248-V252 PolarHBondContact O-N 3.31Å; L249-V252 PolarHBondContact O-N 3.32Å; V252-S254 VanDerWaalsContact C-N 3.32Å; V252-S254 PolarHBondContact O-N 3.12Å; V252-L255 PolarHBondContact O-N 2.96Å; V252-L257 CarbonylContact C-O 3.58Å; V252-L257 HydrophobicContact CG1-CB 4Å; V252-L257 WeakPolarHBondContact CG1-O 3.49Å; V252-L257 PolarHBondContact O-N 3.13Å; V252-L257 VanDerWaalsContact O-O 3.09Å; V252-L287 HydrophobicContact CG2-CD2 4.46Å; V252-M293 HydrophobicContact CB-CE 4.28Å; V252-M293 HydrophobicContact CG1-CE 3.42Å; V252-M293 VanDerWaalsContact CG1-CE 3.42Å; V252-M293 HydrophobicContact CG2-CE 3.81Å
253A94.9Very high93.3Very high1 Ų122.6 Ų22.61%0.00811%0.105CC..Hα-helixtrans-63.6-3117500000114.2L249 E250 R251 L255 G256 L257 R296 Y305 L331 I334L249-A253 PolarHBondContact O-N 3.23Å; L249-A253 VanDerWaalsContact O-N 3.1Å; E250-A253 WeakPolarHBondContact O-CB 3.38Å; E250-A253 PolarHBondContact O-N 2.85Å; R251-A253 VanDerWaalsContact C-N 3.3Å; R251-A253 PolarHBondContact O-N 3.42Å; A253-L255 VanDerWaalsContact C-N 3.34Å; A253-G256 PolarHBondContact O-N 2.75Å; A253-L257 VanDerWaalsContact CA-O 3.26Å; A253-L257 WeakPolarHBondContact CA-O 3.17Å; A253-L257 PolarHBondContact N-O 2.86Å; A253-R296 WeakPolarHBondContact O-CD 3.2Å; A253-R296 PolarHBondContact O-NH1 3.43Å; A253-Y305 HydrophobicContact CB-CD2 4.21Å; A253-Y305 HydrophobicContact CB-CE2 3.76Å; A253-L331 HydrophobicContact CB-CD1 3.54Å; A253-I334 HydrophobicContact CB-CD1 3.69Å; A253-I334 HydrophobicContact CB-CG2 4.03Å
254S94.9Very high93.2Very high11 Ų1119.1 Ų19.18%0.0779%0.093CC..Hα-helixtrans-70.2-27.6174.784.80000113.2E250 R251 V252 G256 R336 I337 D338E250-S254 PolarHBondContact O-N 2.91Å; R251-S254 WeakPolarHBondContact CA-OG 3.3Å; R251-S254 WeakPolarHBondContact O-CB 3.39Å; R251-S254 PolarHBondContact O-N 2.83Å; R251-S254 VanDerWaalsContact O-N 3.09Å; R251-S254 PolarHBondContact O-OG 2.81Å; V252-S254 VanDerWaalsContact C-N 3.32Å; V252-S254 PolarHBondContact O-N 3.12Å; S254-G256 VanDerWaalsContact C-N 3.26Å; S254-G256 PolarHBondContact O-N 2.84Å; S254-R336 CarbonylContact O-C 3.54Å; S254-R336 WeakPolarHBondContact O-CA 3.49Å; S254-I337 PolarHBondContact O-N 2.97Å; S254-D338 PolarHBondContact O-N 3.42Å
255L93.6Very high92.9Very high8 Ų822 Ų224%0.04211%0.105CC..THydrogen-bonded Turntrans-857177.7-63.3178.5000113.7L193 K196 I198 R251 V252 A253 D338 V340L193-L255 HydrophobicContact CD2-CD1 4.39Å; K196-L255 HydrophobicContact CB-CD1 3.67Å; K196-L255 HydrophobicContact CB-CD2 4.01Å; K196-L255 HydrophobicContact CB-CG 4.47Å; K196-L255 HydrophobicContact CD-CD2 4.06Å; K196-L255 HydrophobicContact CG-CD1 3.78Å; K196-L255 HydrophobicContact CG-CD2 3.74Å; K196-L255 HydrophobicContact CG-CG 4.43Å; I198-L255 HydrophobicContact CD1-CD1 3.47Å; I198-L255 VanDerWaalsContact CD1-CD1 3.47Å; R251-L255 WeakPolarHBondContact O-CG 3.46Å; R251-L255 PolarHBondContact O-N 2.97Å; R251-L255 VanDerWaalsContact O-N 3.13Å; V252-L255 PolarHBondContact O-N 2.96Å; A253-L255 VanDerWaalsContact C-N 3.34Å; L255-D338 CarbonylContact C-O 3.53Å; L255-D338 VanDerWaalsContact C-O 3.28Å; L255-D338 HydrophobicContact CD2-CB 3.75Å; L255-V340 HydrophobicContact CB-CB 4.28Å; L255-V340 HydrophobicContact CB-CG2 3.85Å; L255-V340 HydrophobicContact CD1-CG2 4.45Å; L255-V340 HydrophobicContact CD2-CG2 4Å; L255-V340 HydrophobicContact CG-CG2 4.31Å; L255-V340 WeakPolarHBondContact O-CB 3.32Å; L255-V340 PolarHBondContact O-N 3.42Å; L255-V340 VanDerWaalsContact O-N 3.16Å
256G92.4Very high92.8Very high0 Ų022.7 Ų22.70%011%0.108CC..THydrogen-bonded Turntrans82.113.6-177.800000114.6A253 S254 R296 D341A253-G256 PolarHBondContact O-N 2.75Å; S254-G256 VanDerWaalsContact C-N 3.26Å; S254-G256 PolarHBondContact O-N 2.84Å; G256-R296 VanDerWaalsContact O-CB 3.24Å; G256-R296 WeakPolarHBondContact O-CB 3.47Å; G256-R296 PolarHBondContact O-N 2.71Å; G256-D341 VanDerWaalsContact O-CB 3.24Å; G256-D341 WeakPolarHBondContact O-CB 3.47Å; G256-D341 VanDerWaalsContact O-CG 3.32Å
257L93Very high92.7Very high0 Ų021.5 Ų21.50%010%0.103CC..EExtended strand (participates in β ladder)trans-115.1158.5-177.8-66.5168.2000112.1L193 V252 A253 M293 I294 V340 D341 L344 A346L193-L257 HydrophobicContact CD2-CD1 4.25Å; V252-L257 CarbonylContact C-O 3.58Å; V252-L257 HydrophobicContact CG1-CB 4Å; V252-L257 WeakPolarHBondContact CG1-O 3.49Å; V252-L257 PolarHBondContact O-N 3.13Å; V252-L257 VanDerWaalsContact O-O 3.09Å; A253-L257 VanDerWaalsContact CA-O 3.26Å; A253-L257 WeakPolarHBondContact CA-O 3.17Å; A253-L257 PolarHBondContact N-O 2.86Å; L257-M293 HydrophobicContact CB-CE 4.12Å; L257-M293 HydrophobicContact CD1-CE 4.23Å; L257-M293 HydrophobicContact CD1-SD 4.15Å; L257-M293 HydrophobicContact CD2-CB 4.48Å; L257-I294 CarbonylContact C-O 3.28Å; L257-I294 WeakPolarHBondContact CA-O 3.46Å; L257-V340 HydrophobicContact CD1-CB 4.38Å; L257-V340 HydrophobicContact CD1-CG1 4.22Å; L257-D341 HydrophobicContact CD2-CB 3.71Å; L257-D341 HydrophobicContact CG-CB 4.3Å; L257-L344 HydrophobicContact CD1-CD1 3.92Å; L257-L344 HydrophobicContact CD2-CD1 4.11Å; L257-A346 HydrophobicContact CD2-CB 3.84Å
258V92.7Very high92.7Very high0 Ų019.7 Ų19.70%09%0.093CC..EExtended strand (participates in β ladder)trans-131.3138.3167.2177.80000107.8M293 I294 A301 I304 Y305 L331V258-M293 CarbonylContact O-C 3.59Å; V258-M293 VanDerWaalsContact O-CA 3.25Å; V258-M293 WeakPolarHBondContact O-CA 3.42Å; V258-I294 HydrophobicContact CB-CD1 4.41Å; V258-I294 HydrophobicContact CB-CG1 3.87Å; V258-I294 PolarHBondContact N-O 3.05Å; V258-I294 PolarHBondContact O-N 3.41Å; V258-A301 HydrophobicContact CG2-CB 4.26Å; V258-I304 HydrophobicContact CG1-CB 4.44Å; V258-I304 HydrophobicContact CG1-CG2 3.92Å; V258-Y305 HydrophobicContact CG1-CD2 4.44Å; V258-L331 HydrophobicContact CG2-CD1 4.34Å; V258-L331 HydrophobicContact CG2-CD2 3.9Å
259H91.5Very high92.5Very high2 Ų219.5 Ų19.51%0.0099%0.092CC..  trans-63.6-52.5-169.9-167.6-103.5000112.7D261 L262 F290 M293 D308H259-D261 PolarHBondContact CE1-O 3.4Å; H259-D261 PolarHBondContact ND1-N 2.7Å; H259-D261 PolarHBondContact ND1-O 2.78Å; H259-L262 HydrophobicContact CB-CB 4.15Å; H259-L262 PolarHBondContact ND1-N 2.89Å; H259-F290 WeakPolarHBondContact NE2-CA 3.36Å; H259-F290 VanDerWaalsContact NE2-CB 3.35Å; H259-F290 WeakPolarHBondContact NE2-CB 3.44Å; H259-M293 WeakPolarHBondContact O-CA 3.07Å; H259-M293 PolarHBondContact O-N 3.46Å; H259-D308 WeakPolarHBondContact CB-OD2 3.39Å
260G87.9Confident92.2Very high0 Ų020 Ų200%010%0.095CC..SBendtrans86.15-179.100000115.1R307 D308G260-R307 PolarHBondContact O-NH2 2.96Å; G260-D308 PolarHBondContact N-OD2 3.16Å
261D88.1Confident91.6Very high42 Ų4220.9 Ų20.923%0.22510%0.101CC..  trans-170.348.9174.1-165.426.7000111.7H259 N263 N266 Q292 D308H259-D261 PolarHBondContact CE1-O 3.4Å; H259-D261 PolarHBondContact ND1-N 2.7Å; H259-D261 PolarHBondContact ND1-O 2.78Å; D261-N263 VanDerWaalsContact CG-ND2 3.27Å; D261-N263 PolarHBondContact O-N 2.73Å; D261-N263 PolarHBondContact O-ND2 3Å; D261-N263 PolarHBondContact OD1-ND2 3.2Å; D261-N263 PolarHBondContact OD2-ND2 3.27Å; D261-N266 VanDerWaalsContact CG-ND2 3.32Å; D261-N266 PolarHBondContact O-ND2 3.33Å; D261-N266 PolarHBondContact OD2-ND2 3.15Å; D261-Q292 HydrophobicContact CB-CG 4.45Å; D261-D308 PolarHBondContact N-OD1 2.81Å
262L91.6Very high90.6Very high6 Ų619.8 Ų19.83%0.03110%0.101CC..  trans-83.3109.7-176.3-163.965.8000111L249 H259 L267 L287 D308 V312L249-L262 HydrophobicContact CB-CD2 3.82Å; L249-L262 HydrophobicContact CD1-CD2 3.83Å; L249-L262 HydrophobicContact CD2-CD2 4.39Å; L249-L262 HydrophobicContact CG-CD2 4.21Å; H259-L262 HydrophobicContact CB-CB 4.15Å; H259-L262 PolarHBondContact ND1-N 2.89Å; L262-L267 HydrophobicContact CD1-CD2 3.89Å; L262-L267 HydrophobicContact CD1-CG 4.35Å; L262-L287 HydrophobicContact CD1-CD1 3.56Å; L262-D308 HydrophobicContact CB-CB 3.81Å; L262-D308 PolarHBondContact N-OD1 3.4Å; L262-D308 VanDerWaalsContact N-OD1 3.12Å; L262-V312 HydrophobicContact CD2-CG2 3.74Å; L262-V312 HydrophobicContact CG-CG2 4.01Å
263N89.6Confident89.1Confident28 Ų2823.3 Ų23.315%0.1512%0.119CC..SBendtrans-152175.4-170.564.345.3000112D261 F265 N266 L267D261-N263 VanDerWaalsContact CG-ND2 3.27Å; D261-N263 PolarHBondContact O-N 2.73Å; D261-N263 PolarHBondContact O-ND2 3Å; D261-N263 PolarHBondContact OD1-ND2 3.2Å; D261-N263 PolarHBondContact OD2-ND2 3.27Å; N263-F265 PolarHBondContact O-N 2.7Å; N263-F265 WeakPolarHBondContact OD1-CA 3.4Å; N263-F265 VanDerWaalsContact OD1-CB 3.32Å; N263-F265 WeakPolarHBondContact OD1-CB 3.4Å; N263-F265 PolarHBondContact OD1-N 3.21Å; N263-N266 PolarHBondContact ND2-ND2 3.39Å; N263-N266 PolarHBondContact O-N 2.78Å; N263-N266 PolarHBondContact OD1-N 3.42Å; N263-L267 WeakPolarHBondContact O-CG 3.29Å; N263-L267 PolarHBondContact O-N 3.02Å
264E90.1Very high87.2Confident33 Ų3329 Ų2915%0.15416%0.157CC..THydrogen-bonded Turntrans-70.3-6-178.367.9-93.7-125.400115.4L222 Y223 F315 R318L222-E264 HydrophobicContact CB-CB 4.29Å; L222-E264 HydrophobicContact CD2-CB 4.26Å; L222-E264 HydrophobicContact CG-CB 4.17Å; L222-E264 PolarHBondContact N-O 3.47Å; Y223-E264 PolarHBondContact N-O 3.2Å; E264-F315 HydrophobicContact CB-CD2 3.56Å; E264-F315 HydrophobicContact CB-CE2 3.56Å; E264-F315 HydrophobicContact CB-CG 4.13Å; E264-F315 HydrophobicContact CB-CZ 4.15Å; E264-F315 HydrophobicContact CG-CD2 3.73Å; E264-F315 HydrophobicContact CG-CE2 3.74Å; E264-F315 WeakPolarHBondContact OE1-CD2 3.39Å; E264-R318 IonicContact OE1-NH1 2.72Å
265F89.8Confident85.2Confident107 Ų10737.4 Ų37.447%0.46920%0.195SC..THydrogen-bonded Turntrans-92.5-31.6174.4-52.3-85.2000112Y223 N263 L267Y223-F265 HydrophobicContact CD1-CB 4.5Å; Y223-F265 AromaticContact CD1-CD1 3.43Å; Y223-F265 HydrophobicContact CD1-CD1 3.43Å; Y223-F265 VanDerWaalsContact CD1-CD1 3.43Å; Y223-F265 AromaticContact CD1-CE1 3.96Å; Y223-F265 HydrophobicContact CD1-CE1 3.96Å; Y223-F265 HydrophobicContact CD1-CG 4.27Å; Y223-F265 HydrophobicContact CD2-CD1 4.08Å; Y223-F265 AromaticContact CD2-CE1 3.73Å; Y223-F265 HydrophobicContact CD2-CE1 3.73Å; Y223-F265 AromaticContact CE1-CD1 3.87Å; Y223-F265 HydrophobicContact CE1-CD1 3.87Å; Y223-F265 HydrophobicContact CE1-CE1 4.45Å; Y223-F265 HydrophobicContact CE2-CD1 4.45Å; Y223-F265 HydrophobicContact CE2-CE1 4.24Å; Y223-F265 AromaticContact CG-CD1 3.55Å; Y223-F265 HydrophobicContact CG-CD1 3.55Å; Y223-F265 AromaticContact CG-CE1 3.57Å; Y223-F265 HydrophobicContact CG-CE1 3.57Å; N263-F265 PolarHBondContact O-N 2.7Å; N263-F265 WeakPolarHBondContact OD1-CA 3.4Å; N263-F265 VanDerWaalsContact OD1-CB 3.32Å; N263-F265 WeakPolarHBondContact OD1-CB 3.4Å; N263-F265 PolarHBondContact OD1-N 3.21Å; F265-L267 VanDerWaalsContact C-N 3.35Å
266N92.7Very high83.1Confident15 Ų1543.3 Ų43.38%0.0822%0.222CC..SBendtrans-92.66-178.4-66-22.3000113.2D261 N263 I288D261-N266 VanDerWaalsContact CG-ND2 3.32Å; D261-N266 PolarHBondContact O-ND2 3.33Å; D261-N266 PolarHBondContact OD2-ND2 3.15Å; N263-N266 PolarHBondContact ND2-ND2 3.39Å; N263-N266 PolarHBondContact O-N 2.78Å; N263-N266 PolarHBondContact OD1-N 3.42Å; N266-I288 VanDerWaalsContact O-CG1 3.25Å; N266-I288 WeakPolarHBondContact O-CG1 3.45Å; N266-I288 PolarHBondContact O-N 2.77Å
267L93.6Very high80.6Confident3 Ų350 Ų502%0.01626%0.258CS..EExtended strand (participates in β ladder)trans-117.9126.8173.9-62.8176.6000109.7P221 L222 A245 L262 N263 F265 L285 L287P221-L267 CarbonylContact C-O 3.53Å; P221-L267 WeakPolarHBondContact CA-O 3.45Å; L222-L267 HydrophobicContact CB-CB 4.3Å; L222-L267 WeakPolarHBondContact CB-O 3.46Å; L222-L267 HydrophobicContact CD2-CB 4.33Å; L222-L267 HydrophobicContact CD2-CD1 4.25Å; L222-L267 PolarHBondContact N-O 2.69Å; A245-L267 HydrophobicContact CB-CD1 4.24Å; L262-L267 HydrophobicContact CD1-CD2 3.89Å; L262-L267 HydrophobicContact CD1-CG 4.35Å; N263-L267 WeakPolarHBondContact O-CG 3.29Å; N263-L267 PolarHBondContact O-N 3.02Å; F265-L267 VanDerWaalsContact C-N 3.35Å; L267-L285 HydrophobicContact CB-CD1 4.48Å; L267-L285 HydrophobicContact CB-CD2 4.33Å; L267-L285 HydrophobicContact CB-CG 4.41Å; L267-L285 HydrophobicContact CD1-CD1 4.43Å; L267-L285 HydrophobicContact CD1-CD2 4.09Å; L267-L285 HydrophobicContact CD2-CD2 3.65Å; L267-L285 HydrophobicContact CG-CD2 4.21Å; L267-L287 HydrophobicContact CD2-CD1 3.77Å
268M93.1Very high78.3Confident34 Ų3455.5 Ų55.517%0.16729%0.285CS..EExtended strand (participates in β ladder)trans-106.2154170.5-62.3-172.174.900110.2S219 L220 P221 L285 V286 I288S219-M268 WeakPolarHBondContact OG-CE 3.25Å; L220-M268 CarbonylContact O-C 3.57Å; L220-M268 WeakPolarHBondContact O-CA 3.34Å; P221-M268 HydrophobicContact CG-CE 4.38Å; P221-M268 HydrophobicContact CG-CG 4.49Å; M268-L285 CarbonylContact O-C 3.59Å; M268-L285 WeakPolarHBondContact O-CA 3.49Å; M268-V286 PolarHBondContact N-O 3.17Å; M268-V286 PolarHBondContact O-N 3.44Å; M268-I288 HydrophobicContact CG-CD1 3.79Å; M268-I288 HydrophobicContact CG-CG1 4.21Å; M268-I288 HydrophobicContact CG-CG2 4.23Å; M268-I288 HydrophobicContact SD-CD1 3.96Å; M268-I288 HydrophobicContact SD-CG2 4.04Å
269V92.3Very high76.2Confident0 Ų062.5 Ų62.50%032%0.322CS..EExtended strand (participates in β ladder)trans-122.6123.4173.5-172.50000108.6S219 L220 L222 I225 L241 L272 P283 K284 L285S219-V269 CarbonylContact C-O 3.6Å; S219-V269 WeakPolarHBondContact CA-O 3.44Å; S219-V269 VanDerWaalsContact CB-O 3.31Å; S219-V269 WeakPolarHBondContact CB-O 3.34Å; L220-V269 PolarHBondContact N-O 2.72Å; L220-V269 PolarHBondContact O-N 2.86Å; L222-V269 HydrophobicContact CD1-CG2 4.18Å; I225-V269 HydrophobicContact CD1-CB 3.92Å; I225-V269 HydrophobicContact CD1-CG1 4.47Å; I225-V269 HydrophobicContact CD1-CG2 3.69Å; L241-V269 HydrophobicContact CD1-CG1 4.34Å; L241-V269 HydrophobicContact CD1-CG2 4.05Å; L241-V269 HydrophobicContact CD2-CB 4.47Å; L241-V269 HydrophobicContact CD2-CG1 3.63Å; L241-V269 HydrophobicContact CD2-CG2 3.94Å; V269-L272 HydrophobicContact CB-CD1 3.93Å; V269-L272 HydrophobicContact CB-CG 4.46Å; V269-L272 HydrophobicContact CG1-CD1 3.82Å; V269-L272 HydrophobicContact CG1-CD2 4.08Å; V269-L272 HydrophobicContact CG1-CG 3.83Å; V269-P283 HydrophobicContact CG1-CB 3.84Å; V269-K284 CarbonylContact C-O 3.56Å; V269-K284 WeakPolarHBondContact CA-O 3.37Å; V269-L285 HydrophobicContact CG2-CD1 4.29Å
270S88.5Confident74Confident12 Ų1270.1 Ų70.18%0.08436%0.362CS..EExtended strand (participates in β ladder)trans-101.9172.217367.30000111.7L272 P283 K284S270-L272 PolarHBondContact O-N 3Å; S270-P283 WeakPolarHBondContact O-CA 3.38Å; S270-K284 PolarHBondContact N-O 2.75Å; S270-K284 PolarHBondContact O-N 2.71Å; S270-K284 VanDerWaalsContact O-N 3.12Å; S270-K284 PolarHBondContact OG-O 3.18Å
271D82.3Confident72.4Confident62 Ų6272.1 Ų72.133%0.33238%0.375SS..  trans61.531.6176.6-39.7-65.2000113.1D273 S281 K284D271-D273 PolarHBondContact O-N 2.88Å; D271-S281 WeakPolarHBondContact O-CB 3.25Å; D271-K284 IonicContact OD1-NZ 2.75Å; D271-K284 WeakPolarHBondContact OD2-CG 3.35Å; D271-K284 IonicContact OD2-NZ 3.69Å; D271-K284 PolarHBondContact OD2-NZ 3.07Å
272L74.8Confident71.6Confident49 Ų4975.3 Ų75.326%0.25739%0.393SS..  trans-86.685.1172.4-71.5169.9000110.1I225 L237 V269 S270 P274 P283I225-L272 HydrophobicContact CD1-CD1 3.76Å; I225-L272 HydrophobicContact CG1-CD1 4.27Å; L237-L272 HydrophobicContact CD1-CD2 4.34Å; L237-L272 HydrophobicContact CD2-CD2 4.45Å; V269-L272 HydrophobicContact CB-CD1 3.93Å; V269-L272 HydrophobicContact CB-CG 4.46Å; V269-L272 HydrophobicContact CG1-CD1 3.82Å; V269-L272 HydrophobicContact CG1-CD2 4.08Å; V269-L272 HydrophobicContact CG1-CG 3.83Å; S270-L272 PolarHBondContact O-N 3Å; L272-P274 VanDerWaalsContact O-CD 3.25Å; L272-P274 WeakPolarHBondContact O-CD 3.18Å; L272-P283 HydrophobicContact CD2-CB 3.88Å; L272-P283 HydrophobicContact CD2-CG 4.47Å; L272-P283 HydrophobicContact CG-CB 4.38Å
273D64.3Low71.3Confident76 Ų7675.7 Ų75.741%0.40640%0.395SS..  trans-75.7114.1166.7-90-66.8000110.3D271 Q276D271-D273 PolarHBondContact O-N 2.88Å; D273-Q276 HydrophobicContact CB-CB 4.13Å; D273-Q276 VanDerWaalsContact CG-NE2 3.33Å; D273-Q276 PolarHBondContact OD1-NE2 3.34Å; D273-Q276 PolarHBondContact OD2-NE2 3.41Å
274P54.3Low71.3Confident122 Ų12279.5 Ų79.579%0.79241%0.41SS*.SBendtrans-87.2-12.1176.834.4-33.3000113.6L272L272-P274 VanDerWaalsContact O-CD 3.25Å; L272-P274 WeakPolarHBondContact O-CD 3.18Å
275E53.5Low71.4Confident187 Ų18778 Ų7887%0.87440%0.403SS*.SBendtrans-112.3-13.1-173.5-66.4-171.4171.200114.2
276Q48.9Very low71.6Confident131 Ų13173.5 Ų73.561%0.61239%0.385SS*.SBendtrans-96.2140.9174.7-61.7-171.174.200110.1D273D273-Q276 HydrophobicContact CB-CB 4.13Å; D273-Q276 VanDerWaalsContact CG-NE2 3.33Å; D273-Q276 PolarHBondContact OD1-NE2 3.34Å; D273-Q276 PolarHBondContact OD2-NE2 3.41Å
277N39.4Very low71.7Confident142 Ų14272.8 Ų72.876%0.75938%0.381SS*.  trans-58.4145.5-175-63.8-67.2000112D279N277-D279 PolarHBondContact O-N 3.44Å
278M45.4Very low71.7Confident114 Ų11474.6 Ų74.656%0.56239%0.39SS*.THydrogen-bonded Turntrans-47.21.6-170.3-73-68.4-50.300119.5N233N233-M278 HydrophobicContact CB-CE 4.41Å
279D48.3Very low71.5Confident147 Ų14775 Ų7579%0.78639%0.393SS*.THydrogen-bonded Turntrans-105.3-12-161-63.1-48.9000115.7N277N277-D279 PolarHBondContact O-N 3.44Å
280I45.9Very low71.2Confident163 Ų16375 Ų7584%0.83639%0.393SS*.SBendtrans-126.2-28.5-165.1-61.5-175.1000115.6
281S54.1Low70.7Confident41 Ų4174.6 Ų74.629%0.28739%0.39SS..  trans-91.2110.3173.743.90000111D271 P283D271-S281 WeakPolarHBondContact O-CB 3.25Å; S281-P283 VanDerWaalsContact O-CD 3.28Å; S281-P283 WeakPolarHBondContact O-CD 3.07Å
282N72.4Confident70.6Confident110 Ų11072.2 Ų72.259%0.58838%0.377SS*.  trans-88.8103.9169.5-175.120000108.8
283P83.4Confident71.3Confident13 Ų1369.9 Ų69.98%0.08437%0.365CS..PPolyproline II helixtrans-71.7133.7-168.328.6-33.6000110.7L237 L241 Q244 V269 S270 L272 S281L237-P283 HydrophobicContact CD1-CB 4.38Å; L237-P283 HydrophobicContact CD1-CG 3.44Å; L237-P283 VanDerWaalsContact CD1-CG 3.44Å; L241-P283 HydrophobicContact CD2-CG 4.39Å; Q244-P283 PolarHBondContact NE2-O 3.14Å; Q244-P283 PolarHBondContact OE1-O 2.91Å; V269-P283 HydrophobicContact CG1-CB 3.84Å; S270-P283 WeakPolarHBondContact O-CA 3.38Å; L272-P283 HydrophobicContact CD2-CB 3.88Å; L272-P283 HydrophobicContact CD2-CG 4.47Å; L272-P283 HydrophobicContact CG-CB 4.38Å; S281-P283 VanDerWaalsContact O-CD 3.28Å; S281-P283 WeakPolarHBondContact O-CD 3.07Å
284K89.7Confident72.4Confident109 Ų10966.3 Ų66.347%0.47435%0.345SS..EExtended strand (participates in β ladder)trans-103.4131.7-172.2-56.6-174.1-158.378.30111.4V269 S270 D271V269-K284 CarbonylContact C-O 3.56Å; V269-K284 WeakPolarHBondContact CA-O 3.37Å; S270-K284 PolarHBondContact N-O 2.75Å; S270-K284 PolarHBondContact O-N 2.71Å; S270-K284 VanDerWaalsContact O-N 3.12Å; S270-K284 PolarHBondContact OG-O 3.18Å; D271-K284 IonicContact OD1-NZ 2.75Å; D271-K284 WeakPolarHBondContact OD2-CG 3.35Å; D271-K284 IonicContact OD2-NZ 3.69Å; D271-K284 PolarHBondContact OD2-NZ 3.07Å
285L93Very high74.1Confident0 Ų060.5 Ų60.50%031%0.308CS..EExtended strand (participates in β ladder)trans-91.6124.9177.9-166.5132.8000110.2P199 L222 L241 Q244 A245 I248 L267 M268 V269P199-L285 WeakPolarHBondContact CB-O 3.45Å; P199-L285 WeakPolarHBondContact CG-O 3.45Å; L222-L285 HydrophobicContact CD2-CD1 4.47Å; L241-L285 HydrophobicContact CB-CD1 4.15Å; L241-L285 HydrophobicContact CD2-CB 4.36Å; L241-L285 HydrophobicContact CD2-CD1 4.19Å; Q244-L285 HydrophobicContact CB-CB 3.93Å; A245-L285 HydrophobicContact CB-CD1 4.45Å; A245-L285 HydrophobicContact CB-CD2 4.2Å; I248-L285 HydrophobicContact CD1-CD2 3.44Å; I248-L285 VanDerWaalsContact CD1-CD2 3.44Å; L267-L285 HydrophobicContact CB-CD1 4.48Å; L267-L285 HydrophobicContact CB-CD2 4.33Å; L267-L285 HydrophobicContact CB-CG 4.41Å; L267-L285 HydrophobicContact CD1-CD1 4.43Å; L267-L285 HydrophobicContact CD1-CD2 4.09Å; L267-L285 HydrophobicContact CD2-CD2 3.65Å; L267-L285 HydrophobicContact CG-CD2 4.21Å; M268-L285 CarbonylContact O-C 3.59Å; M268-L285 WeakPolarHBondContact O-CA 3.49Å; V269-L285 HydrophobicContact CG2-CD1 4.29Å
286V94.2Very high75.9Confident14 Ų1453.6 Ų53.69%0.08527%0.274CS..EExtended strand (participates in β ladder)trans-117.9126.2-174.7-178.60000109.7P199 P201 V216 M268P199-V286 WeakPolarHBondContact O-CA 3.27Å; P201-V286 HydrophobicContact CG-CG1 4.44Å; V216-V286 HydrophobicContact CG1-CG2 4.39Å; V216-V286 HydrophobicContact CG2-CG1 4.41Å; M268-V286 PolarHBondContact N-O 3.17Å; M268-V286 PolarHBondContact O-N 3.44Å
287L95.1Very high77.7Confident0 Ų050.1 Ų50.10%026%0.259CS..EExtended strand (participates in β ladder)trans-81.1130.8178.9179.566.1000111.1P199 V200 P201 I248 V252 L262 L267 F290P199-L287 PolarHBondContact O-N 2.93Å; V200-L287 HydrophobicContact CG1-CB 4.12Å; V200-L287 HydrophobicContact CG1-CD2 4.46Å; P201-L287 WeakPolarHBondContact CD-O 3.25Å; I248-L287 HydrophobicContact CG2-CB 4.29Å; I248-L287 HydrophobicContact CG2-CD2 3.95Å; V252-L287 HydrophobicContact CG2-CD2 4.46Å; L262-L287 HydrophobicContact CD1-CD1 3.56Å; L267-L287 HydrophobicContact CD2-CD1 3.77Å; L287-F290 HydrophobicContact CD2-CD1 4.42Å; L287-F290 HydrophobicContact CG-CD1 4.19Å
288I92.9Very high79.9Confident40 Ų4045.3 Ų45.321%0.20523%0.232CC..  trans-130.1166.7175.662.8161.2000111.4P201 N266 M268P201-I288 HydrophobicContact CG-CG2 4.07Å; N266-I288 VanDerWaalsContact O-CG1 3.25Å; N266-I288 WeakPolarHBondContact O-CG1 3.45Å; N266-I288 PolarHBondContact O-N 2.77Å; M268-I288 HydrophobicContact CG-CD1 3.79Å; M268-I288 HydrophobicContact CG-CG1 4.21Å; M268-I288 HydrophobicContact CG-CG2 4.23Å; M268-I288 HydrophobicContact SD-CD1 3.96Å; M268-I288 HydrophobicContact SD-CG2 4.04Å
289D89.4Confident81.9Confident43 Ų4349.7 Ų49.723%0.2325%0.248CC..  trans5162.1174.7-139.1-21.7000115.5K148 P291K148-D289 IonicContact NZ-OD1 3.46Å; K148-D289 PolarHBondContact NZ-OD1 3.12Å; K148-D289 IonicContact NZ-OD2 3.27Å; K148-D289 PolarHBondContact NZ-OD2 2.99Å; K148-D289 VanDerWaalsContact NZ-OD2 3.16Å; D289-P291 VanDerWaalsContact O-CD 3.25Å; D289-P291 WeakPolarHBondContact O-CD 3.24Å; D289-P291 WeakPolarHBondContact OD1-CD 3.47Å; D289-P291 VanDerWaalsContact OD1-CG 3.28Å; D289-P291 WeakPolarHBondContact OD1-CG 3.47Å
290F86.4Confident83.7Confident0 Ų047 Ų470%023%0.234CC..  trans-98.824.9176.440.8-95.4000116.7E186 M189 M190 L193 V200 H259 L287 Q292 M293E186-F290 HydrophobicContact CG-CD2 4.27Å; E186-F290 HydrophobicContact CG-CE2 3.86Å; E186-F290 HydrophobicContact CG-CZ 4.45Å; M189-F290 HydrophobicContact CB-CD2 3.93Å; M189-F290 HydrophobicContact CB-CE2 4.02Å; M189-F290 HydrophobicContact CE-CD2 4.25Å; M189-F290 WeakPolarHBondContact CE-O 3.29Å; M190-F290 HydrophobicContact CB-CE2 3.76Å; M190-F290 HydrophobicContact CB-CZ 3.59Å; M190-F290 HydrophobicContact CE-CE1 4.26Å; M190-F290 HydrophobicContact CE-CE2 4.31Å; M190-F290 HydrophobicContact CE-CZ 3.53Å; M190-F290 HydrophobicContact CG-CE2 4.48Å; M190-F290 HydrophobicContact CG-CZ 3.81Å; L193-F290 HydrophobicContact CD1-CD1 4.21Å; L193-F290 HydrophobicContact CD1-CD2 4.01Å; L193-F290 HydrophobicContact CD1-CE1 4.34Å; L193-F290 HydrophobicContact CD1-CE2 4.16Å; L193-F290 HydrophobicContact CD1-CG 4.03Å; L193-F290 HydrophobicContact CD1-CZ 4.31Å; V200-F290 HydrophobicContact CB-CE1 4.21Å; V200-F290 HydrophobicContact CB-CZ 4.47Å; V200-F290 HydrophobicContact CG1-CD1 4.48Å; V200-F290 HydrophobicContact CG1-CE1 3.8Å; V200-F290 HydrophobicContact CG1-CZ 4.33Å; H259-F290 WeakPolarHBondContact NE2-CA 3.36Å; H259-F290 VanDerWaalsContact NE2-CB 3.35Å; H259-F290 WeakPolarHBondContact NE2-CB 3.44Å; L287-F290 HydrophobicContact CD2-CD1 4.42Å; L287-F290 HydrophobicContact CG-CD1 4.19Å; F290-Q292 PolarHBondContact O-N 3.2Å; F290-M293 HydrophobicContact CB-CG 3.94Å; F290-M293 HydrophobicContact CB-SD 3.89Å; F290-M293 HydrophobicContact CG-SD 4.47Å; F290-M293 WeakPolarHBondContact O-CG 3.45Å; F290-M293 PolarHBondContact O-N 2.91Å
291P78.2Confident85.8Confident3 Ų339.3 Ų39.32%0.01919%0.194CC..THydrogen-bonded Turntrans-66.2-5.9-179.731.9-35.6000113.3R185 D289R185-P291 PolarHBondContact NH1-O 3.08Å; R185-P291 PolarHBondContact NH2-O 2.88Å; D289-P291 VanDerWaalsContact O-CD 3.25Å; D289-P291 WeakPolarHBondContact O-CD 3.24Å; D289-P291 WeakPolarHBondContact OD1-CD 3.47Å; D289-P291 VanDerWaalsContact OD1-CG 3.28Å; D289-P291 WeakPolarHBondContact OD1-CG 3.47Å
292Q79.9Confident87.5Confident12 Ų1239.8 Ų39.86%0.05619%0.193CC..THydrogen-bonded Turntrans-82.5-27178.6-49.3-48.5-23.400113.9R185 D261 F290 I294 L376R185-Q292 PolarHBondContact NH2-O 2.87Å; D261-Q292 HydrophobicContact CB-CG 4.45Å; F290-Q292 PolarHBondContact O-N 3.2Å; Q292-I294 PolarHBondContact O-N 2.83Å; Q292-L376 HydrophobicContact CB-CD2 4.38Å
293M89.5Confident88.4Confident0 Ų038.9 Ų38.90%019%0.192CC..  trans-40117-162.7-73.6-174.1122.800116.3R185 M189 L193 V252 L257 V258 H259 F290 P347R185-M293 PolarHBondContact NH2-O 3.46Å; M189-M293 HydrophobicContact CE-CB 4.48Å; M189-M293 HydrophobicContact SD-CB 3.95Å; L193-M293 HydrophobicContact CD1-CE 4.13Å; L193-M293 HydrophobicContact CD1-SD 3.9Å; L193-M293 HydrophobicContact CD2-CE 3.97Å; L193-M293 HydrophobicContact CD2-SD 4.36Å; V252-M293 HydrophobicContact CB-CE 4.28Å; V252-M293 HydrophobicContact CG1-CE 3.42Å; V252-M293 VanDerWaalsContact CG1-CE 3.42Å; V252-M293 HydrophobicContact CG2-CE 3.81Å; L257-M293 HydrophobicContact CB-CE 4.12Å; L257-M293 HydrophobicContact CD1-CE 4.23Å; L257-M293 HydrophobicContact CD1-SD 4.15Å; L257-M293 HydrophobicContact CD2-CB 4.48Å; V258-M293 CarbonylContact O-C 3.59Å; V258-M293 VanDerWaalsContact O-CA 3.25Å; V258-M293 WeakPolarHBondContact O-CA 3.42Å; H259-M293 WeakPolarHBondContact O-CA 3.07Å; H259-M293 PolarHBondContact O-N 3.46Å; F290-M293 HydrophobicContact CB-CG 3.94Å; F290-M293 HydrophobicContact CB-SD 3.89Å; F290-M293 HydrophobicContact CG-SD 4.47Å; F290-M293 WeakPolarHBondContact O-CG 3.45Å; F290-M293 PolarHBondContact O-N 2.91Å; M293-P347 WeakPolarHBondContact O-CD 3.14Å
294I87.6Confident88.7Confident1 Ų139.4 Ų39.41%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-95.6160178.162.4176.9000111.4L257 V258 Q292 H298 I304 P347 L376L257-I294 CarbonylContact C-O 3.28Å; L257-I294 WeakPolarHBondContact CA-O 3.46Å; V258-I294 HydrophobicContact CB-CD1 4.41Å; V258-I294 HydrophobicContact CB-CG1 3.87Å; V258-I294 PolarHBondContact N-O 3.05Å; V258-I294 PolarHBondContact O-N 3.41Å; Q292-I294 PolarHBondContact O-N 2.83Å; I294-H298 HydrophobicContact CB-CB 4.5Å; I294-H298 HydrophobicContact CD1-CB 4.23Å; I294-I304 HydrophobicContact CD1-CB 4.17Å; I294-I304 HydrophobicContact CD1-CD1 3.6Å; I294-I304 HydrophobicContact CD1-CG1 4.46Å; I294-I304 HydrophobicContact CD1-CG2 4.14Å; I294-P347 HydrophobicContact CG2-CB 4.27Å; I294-L376 HydrophobicContact CG2-CD1 3.94Å
295S90.1Very high89Confident0 Ų034.5 Ų34.50%017%0.172CC..EExtended strand (participates in β ladder)trans-66.6141.6166.4167.70000109.9D297 H298 D341 P347S295-D297 PolarHBondContact O-N 2.83Å; S295-D297 PolarHBondContact OG-N 2.69Å; S295-H298 WeakPolarHBondContact O-CB 3.39Å; S295-H298 PolarHBondContact O-N 2.76Å; S295-D341 VanDerWaalsContact CB-OD2 3.31Å; S295-D341 WeakPolarHBondContact CB-OD2 3.23Å; S295-D341 PolarHBondContact OG-OD2 3.46Å; S295-P347 PolarHBondContact N-O 3.2Å
296R90.4Very high89Confident43 Ų4339.1 Ų39.116%0.16219%0.194CC..THydrogen-bonded Turntrans-60.6-21.1170.1177.3175.4153167.54.6112.8A253 G256 H298 A301 L331 I334A253-R296 WeakPolarHBondContact O-CD 3.2Å; A253-R296 PolarHBondContact O-NH1 3.43Å; G256-R296 VanDerWaalsContact O-CB 3.24Å; G256-R296 WeakPolarHBondContact O-CB 3.47Å; G256-R296 PolarHBondContact O-N 2.71Å; R296-H298 VanDerWaalsContact C-N 3.25Å; R296-H298 PolarHBondContact O-N 2.99Å; R296-A301 WeakPolarHBondContact O-CB 3.39Å; R296-L331 HydrophobicContact CG-CD1 4.07Å; R296-L331 HydrophobicContact CG-CD2 4.15Å; R296-L331 HydrophobicContact CG-CG 4.14Å; R296-L331 PolarHBondContact NH2-O 2.74Å; R296-I334 VanDerWaalsContact CZ-O 3.22Å; R296-I334 PolarHBondContact NH1-O 2.99Å; R296-I334 PolarHBondContact NH2-O 3.11Å
297D87.6Confident88.9Confident58 Ų5842.5 Ų42.531%0.3121%0.205SC..THydrogen-bonded Turntrans-82.80.9174.5-54.9-43.7000112.8S295 R336 I350S295-D297 PolarHBondContact O-N 2.83Å; S295-D297 PolarHBondContact OG-N 2.69Å; D297-R336 IonicContact OD1-NH1 3Å; D297-R336 PolarHBondContact OD1-NH1 2.73Å; D297-R336 IonicContact OD2-CZ 2.69Å; D297-R336 IonicContact OD2-NH1 2.72Å; D297-R336 PolarHBondContact OD2-NH1 2.98Å; D297-R336 IonicContact OD2-NH2 3.3Å; D297-R336 PolarHBondContact OD2-NH2 2.72Å; D297-I350 HydrophobicContact CB-CD1 3.99Å; D297-I350 HydrophobicContact CB-CG1 3.95Å
298H85.7Confident88.8Confident41 Ų4142.5 Ų42.519%0.1921%0.205CC..SBendtrans-70141.8175.5-173.9-115.5000112I294 S295 R296 L300 A301I294-H298 HydrophobicContact CB-CB 4.5Å; I294-H298 HydrophobicContact CD1-CB 4.23Å; S295-H298 WeakPolarHBondContact O-CB 3.39Å; S295-H298 PolarHBondContact O-N 2.76Å; R296-H298 VanDerWaalsContact C-N 3.25Å; R296-H298 PolarHBondContact O-N 2.99Å; H298-L300 PolarHBondContact ND1-N 3.09Å; H298-L300 PolarHBondContact O-N 2.99Å; H298-A301 HydrophobicContact CB-CB 4.4Å; H298-A301 WeakPolarHBondContact O-CB 3.42Å; H298-A301 PolarHBondContact O-N 2.83Å
299K86.9Confident88.9Confident205 Ų20541.2 Ų41.289%0.89120%0.2SC*.THydrogen-bonded Turntrans-59.6-13.5-177.2-64.2-167.2176.3-1660116.6
300L86.4Confident89.1Confident92 Ų9244.8 Ų44.848%0.48222%0.216SC..THydrogen-bonded Turntrans-115.910.9177.2-55.2177.5000112H298 N302 T303 I304H298-L300 PolarHBondContact ND1-N 3.09Å; H298-L300 PolarHBondContact O-N 2.99Å; L300-N302 PolarHBondContact O-N 3.42Å; L300-T303 PolarHBondContact O-N 2.99Å; L300-I304 HydrophobicContact CB-CD1 3.77Å; L300-I304 HydrophobicContact CB-CG1 4.29Å; L300-I304 WeakPolarHBondContact O-CB 3.4Å; L300-I304 VanDerWaalsContact O-CG1 3.27Å; L300-I304 WeakPolarHBondContact O-CG1 3.47Å; L300-I304 PolarHBondContact O-N 2.92Å
301A88.1Confident89.4Confident0 Ų046 Ų460%023%0.227CC..Hα-helixtrans-59.3-48-174.500000112.3V258 R296 H298 I304 Y305 L331V258-A301 HydrophobicContact CG2-CB 4.26Å; R296-A301 WeakPolarHBondContact O-CB 3.39Å; H298-A301 HydrophobicContact CB-CB 4.4Å; H298-A301 WeakPolarHBondContact O-CB 3.42Å; H298-A301 PolarHBondContact O-N 2.83Å; A301-I304 PolarHBondContact O-N 2.97Å; A301-Y305 VanDerWaalsContact O-CB 3.23Å; A301-Y305 WeakPolarHBondContact O-CB 3.48Å; A301-Y305 PolarHBondContact O-N 3.21Å; A301-L331 HydrophobicContact CB-CD2 3.9Å
302N91.5Very high90.1Very high52 Ų5246 Ų4628%0.27823%0.228SC..Hα-helixtrans-57.3-53.6177.8-64.535.2000110.9L300 I304 Y305 E306 D332L300-N302 PolarHBondContact O-N 3.42Å; N302-I304 VanDerWaalsContact C-N 3.31Å; N302-I304 PolarHBondContact O-N 3.24Å; N302-Y305 PolarHBondContact O-N 2.97Å; N302-E306 WeakPolarHBondContact O-CB 3.08Å; N302-E306 WeakPolarHBondContact O-CG 3.13Å; N302-E306 PolarHBondContact O-N 3.42Å; N302-D332 PolarHBondContact ND2-OD1 3Å; N302-D332 PolarHBondContact ND2-OD2 3.47Å; N302-D332 VanDerWaalsContact ND2-OD2 3.09Å
303T91.3Very high90.8Very high91 Ų9146.7 Ų46.756%0.55823%0.233SC*.Hα-helixtrans-62-34.7-179.5-48.90000113.9L300 E306 R307L300-T303 PolarHBondContact O-N 2.99Å; T303-E306 WeakPolarHBondContact CA-OE2 3.39Å; T303-R307 WeakPolarHBondContact O-CB 3.46Å; T303-R307 PolarHBondContact O-N 3.24Å; T303-R307 VanDerWaalsContact O-N 3.13Å
304I89.9Confident91Very high24 Ų2450.8 Ų50.812%0.12326%0.255CS..Hα-helixtrans-75.5-37.9178.2-69.1169.8000110.6V258 I294 L300 A301 N302 D308V258-I304 HydrophobicContact CG1-CB 4.44Å; V258-I304 HydrophobicContact CG1-CG2 3.92Å; I294-I304 HydrophobicContact CD1-CB 4.17Å; I294-I304 HydrophobicContact CD1-CD1 3.6Å; I294-I304 HydrophobicContact CD1-CG1 4.46Å; I294-I304 HydrophobicContact CD1-CG2 4.14Å; L300-I304 HydrophobicContact CB-CD1 3.77Å; L300-I304 HydrophobicContact CB-CG1 4.29Å; L300-I304 WeakPolarHBondContact O-CB 3.4Å; L300-I304 VanDerWaalsContact O-CG1 3.27Å; L300-I304 WeakPolarHBondContact O-CG1 3.47Å; L300-I304 PolarHBondContact O-N 2.92Å; A301-I304 PolarHBondContact O-N 2.97Å; N302-I304 VanDerWaalsContact C-N 3.31Å; N302-I304 PolarHBondContact O-N 3.24Å; I304-D308 WeakPolarHBondContact O-CB 3.36Å; I304-D308 VanDerWaalsContact O-CG 3.25Å; I304-D308 PolarHBondContact O-N 2.81Å
305Y94.2Very high91.2Very high5 Ų551.1 Ų51.12%0.0226%0.256CS..Hα-helixtrans-67.5-42173.2175.7-88.3000112.2L249 A253 V258 A301 N302 R307 D308 A309 S329 L331 I334L249-Y305 HydrophobicContact CD1-CD2 3.79Å; L249-Y305 HydrophobicContact CD1-CE2 3.43Å; L249-Y305 VanDerWaalsContact CD1-CE2 3.43Å; L249-Y305 HydrophobicContact CD2-CE2 4.34Å; L249-Y305 HydrophobicContact CG-CD2 4.47Å; L249-Y305 HydrophobicContact CG-CE2 3.65Å; A253-Y305 HydrophobicContact CB-CD2 4.21Å; A253-Y305 HydrophobicContact CB-CE2 3.76Å; V258-Y305 HydrophobicContact CG1-CD2 4.44Å; A301-Y305 VanDerWaalsContact O-CB 3.23Å; A301-Y305 WeakPolarHBondContact O-CB 3.48Å; A301-Y305 PolarHBondContact O-N 3.21Å; N302-Y305 PolarHBondContact O-N 2.97Å; Y305-R307 VanDerWaalsContact C-N 3.33Å; Y305-R307 PolarHBondContact O-N 2.9Å; Y305-D308 PolarHBondContact O-N 3.4Å; Y305-A309 HydrophobicContact CE1-CB 4.5Å; Y305-A309 WeakPolarHBondContact O-CB 3.29Å; Y305-A309 PolarHBondContact O-N 3.04Å; Y305-S329 WeakPolarHBondContact CE1-O 3.42Å; Y305-S329 PolarHBondContact OH-O 3.26Å; Y305-L331 HydrophobicContact CD1-CB 3.81Å; Y305-L331 HydrophobicContact CD2-CD1 3.92Å; Y305-L331 HydrophobicContact CE1-CB 4.28Å; Y305-L331 HydrophobicContact CE2-CD1 4.29Å; Y305-L331 HydrophobicContact CG-CB 4.05Å; Y305-L331 HydrophobicContact CG-CD1 4.05Å; Y305-L331 HydrophobicContact CG-CD2 4.22Å; Y305-L331 HydrophobicContact CG-CG 4.34Å; Y305-I334 HydrophobicContact CE2-CD1 4.2Å; Y305-I334 WeakPolarHBondContact OH-CD1 3.47Å
306E93.7Very high91.4Very high97 Ų9751.2 Ų51.245%0.45326%0.256SS..Hα-helixtrans-58-46.4174.5-75.4158.4179.500110.2N302 T303 A309 E310N302-E306 WeakPolarHBondContact O-CB 3.08Å; N302-E306 WeakPolarHBondContact O-CG 3.13Å; N302-E306 PolarHBondContact O-N 3.42Å; T303-E306 WeakPolarHBondContact CA-OE2 3.39Å; E306-A309 WeakPolarHBondContact O-CB 3.4Å; E306-A309 PolarHBondContact O-N 3.11Å; E306-E310 WeakPolarHBondContact O-CB 2.96Å; E306-E310 WeakPolarHBondContact O-CG 3.48Å; E306-E310 PolarHBondContact O-N 3.14Å
307R91.9Very high91.5Very high85 Ų8551.9 Ų51.932%0.32127%0.268SS..Hα-helixtrans-65.3-38.9175-171.5-151.362.4160.20.9113G260 T303 Y305 G311 E383G260-R307 PolarHBondContact O-NH2 2.96Å; T303-R307 WeakPolarHBondContact O-CB 3.46Å; T303-R307 PolarHBondContact O-N 3.24Å; T303-R307 VanDerWaalsContact O-N 3.13Å; Y305-R307 VanDerWaalsContact C-N 3.33Å; Y305-R307 PolarHBondContact O-N 2.9Å; R307-G311 PolarHBondContact O-N 3.15Å; R307-E383 IonicContact NH1-OE1 3.84Å
308D93.8Very high91.6Very high1 Ų156.2 Ų56.21%0.00528%0.28CS..Hα-helixtrans-65.2-38.9174.5-73.9-11.3000111.4L249 H259 G260 D261 L262 I304 Y305 G311 V312L249-D308 HydrophobicContact CD1-CB 4.26Å; H259-D308 WeakPolarHBondContact CB-OD2 3.39Å; G260-D308 PolarHBondContact N-OD2 3.16Å; D261-D308 PolarHBondContact N-OD1 2.81Å; L262-D308 HydrophobicContact CB-CB 3.81Å; L262-D308 PolarHBondContact N-OD1 3.4Å; L262-D308 VanDerWaalsContact N-OD1 3.12Å; I304-D308 WeakPolarHBondContact O-CB 3.36Å; I304-D308 VanDerWaalsContact O-CG 3.25Å; I304-D308 PolarHBondContact O-N 2.81Å; Y305-D308 PolarHBondContact O-N 3.4Å; D308-G311 PolarHBondContact O-N 3.45Å; D308-V312 PolarHBondContact O-N 3.36Å
309A94.9Very high91.8Very high12 Ų1255.6 Ų55.610%0.09928%0.276CS..Hα-helixtrans-67.5-45.917500000112.3L249 Y305 E306 G311 V312 V313 P328L249-A309 HydrophobicContact CD2-CB 3.84Å; Y305-A309 HydrophobicContact CE1-CB 4.5Å; Y305-A309 WeakPolarHBondContact O-CB 3.29Å; Y305-A309 PolarHBondContact O-N 3.04Å; E306-A309 WeakPolarHBondContact O-CB 3.4Å; E306-A309 PolarHBondContact O-N 3.11Å; A309-G311 VanDerWaalsContact C-N 3.29Å; A309-G311 PolarHBondContact O-N 3.23Å; A309-V312 PolarHBondContact O-N 3.41Å; A309-V313 WeakPolarHBondContact O-CG2 3.42Å; A309-V313 PolarHBondContact O-N 3.32Å; A309-P328 HydrophobicContact CB-CB 3.96Å; A309-P328 HydrophobicContact CB-CG 4.07Å
310E93.6Very high92Very high119 Ų11946.6 Ų46.656%0.55624%0.237SC*.Hα-helixtrans-59.1-39.7171.8-77.9-179.2-176.800111.1E306 V313 N314E306-E310 WeakPolarHBondContact O-CB 2.96Å; E306-E310 WeakPolarHBondContact O-CG 3.48Å; E306-E310 PolarHBondContact O-N 3.14Å; E310-V313 PolarHBondContact O-N 3.47Å; E310-N314 WeakPolarHBondContact O-CB 3.43Å; E310-N314 PolarHBondContact O-N 3.07Å; E310-N314 PolarHBondContact O-ND2 2.68Å
311G92.5Very high92.2Very high24 Ų2449.6 Ų49.625%0.24725%0.253CS..Hα-helixtrans-56.6-50.8175.800000112.5R307 D308 A309 F315R307-G311 PolarHBondContact O-N 3.15Å; D308-G311 PolarHBondContact O-N 3.45Å; A309-G311 VanDerWaalsContact C-N 3.29Å; A309-G311 PolarHBondContact O-N 3.23Å; G311-F315 PolarHBondContact O-N 2.83Å; G311-F315 VanDerWaalsContact O-N 3.14Å
312V93.6Very high92.3Very high4 Ų450.9 Ų50.92%0.02426%0.26CS..Hα-helixtrans-61.6-48.9176.1176.20000111.3Y242 A245 L262 D308 A309 N314 F315 F316Y242-V312 HydrophobicContact CD2-CG1 4.05Å; Y242-V312 HydrophobicContact CE2-CG1 4.06Å; A245-V312 HydrophobicContact CB-CG1 3.79Å; L262-V312 HydrophobicContact CD2-CG2 3.74Å; L262-V312 HydrophobicContact CG-CG2 4.01Å; D308-V312 PolarHBondContact O-N 3.36Å; A309-V312 PolarHBondContact O-N 3.41Å; V312-N314 PolarHBondContact O-N 2.95Å; V312-F315 PolarHBondContact O-N 3.27Å; V312-F316 HydrophobicContact CG1-CD2 3.88Å; V312-F316 HydrophobicContact CG1-CE2 4.15Å; V312-F316 WeakPolarHBondContact O-CD2 3.44Å; V312-F316 PolarHBondContact O-N 2.81Å; V312-F316 VanDerWaalsContact O-N 3.09Å
313V94.6Very high92.3Very high27 Ų2751.3 Ų51.316%0.16427%0.266CS..Hα-helixtrans-63.7-42-179.4172.10000111.9Y242 A309 E310 F315 F316 S317 I322 L327 P328Y242-V313 HydrophobicContact CE2-CG2 4.15Å; A309-V313 WeakPolarHBondContact O-CG2 3.42Å; A309-V313 PolarHBondContact O-N 3.32Å; E310-V313 PolarHBondContact O-N 3.47Å; V313-F315 VanDerWaalsContact C-N 3.26Å; V313-F315 PolarHBondContact O-N 3.11Å; V313-F316 PolarHBondContact O-N 2.95Å; V313-S317 WeakPolarHBondContact O-CB 3.23Å; V313-S317 PolarHBondContact O-N 3.3Å; V313-S317 PolarHBondContact O-OG 3.08Å; V313-I322 HydrophobicContact CG1-CD1 4.07Å; V313-L327 HydrophobicContact CG1-CD2 4.09Å; V313-L327 HydrophobicContact CG2-CD2 3.99Å; V313-P328 HydrophobicContact CG2-CG 3.91Å
314N92.5Very high92.2Very high86 Ų8654 Ų5446%0.4628%0.275SS..Hα-helixtrans-72.2-15179.3-72.4-38.7000113.9E310 V312 R318E310-N314 WeakPolarHBondContact O-CB 3.43Å; E310-N314 PolarHBondContact O-N 3.07Å; E310-N314 PolarHBondContact O-ND2 2.68Å; V312-N314 PolarHBondContact O-N 2.95Å; N314-R318 PolarHBondContact O-NE 3.12Å; N314-R318 PolarHBondContact O-NH2 3.25Å; N314-R318 VanDerWaalsContact O-NH2 3.13Å
315F92.4Very high92.2Very high8 Ų860.3 Ų60.34%0.03531%0.31CS..Hα-helixtrans-82.3-54.8166.5-177.8-94.4000110.7L222 L230 E264 G311 V312 V313 R318 Y319L222-F315 HydrophobicContact CD1-CE1 3.79Å; L222-F315 HydrophobicContact CD1-CZ 4.09Å; L222-F315 HydrophobicContact CD2-CD1 3.99Å; L222-F315 HydrophobicContact CD2-CE1 3.7Å; L222-F315 HydrophobicContact CD2-CZ 4.27Å; L222-F315 HydrophobicContact CG-CD1 4.36Å; L222-F315 HydrophobicContact CG-CE1 3.6Å; L222-F315 HydrophobicContact CG-CZ 3.75Å; L230-F315 HydrophobicContact CD1-CE1 4.25Å; L230-F315 HydrophobicContact CD1-CZ 4.08Å; E264-F315 HydrophobicContact CB-CD2 3.56Å; E264-F315 HydrophobicContact CB-CE2 3.56Å; E264-F315 HydrophobicContact CB-CG 4.13Å; E264-F315 HydrophobicContact CB-CZ 4.15Å; E264-F315 HydrophobicContact CG-CD2 3.73Å; E264-F315 HydrophobicContact CG-CE2 3.74Å; E264-F315 WeakPolarHBondContact OE1-CD2 3.39Å; G311-F315 PolarHBondContact O-N 2.83Å; G311-F315 VanDerWaalsContact O-N 3.14Å; V312-F315 PolarHBondContact O-N 3.27Å; V313-F315 VanDerWaalsContact C-N 3.26Å; V313-F315 PolarHBondContact O-N 3.11Å; F315-R318 WeakPolarHBondContact O-CB 3.44Å; F315-R318 WeakPolarHBondContact O-CG 3.24Å; F315-R318 PolarHBondContact O-N 3.09Å; F315-Y319 HydrophobicContact CD1-CE2 4.12Å; F315-Y319 AromaticContact CE1-CE2 3.71Å; F315-Y319 HydrophobicContact CE1-CE2 3.71Å; F315-Y319 HydrophobicContact CE2-CE2 4.39Å; F315-Y319 AromaticContact CZ-CE2 3.87Å; F315-Y319 HydrophobicContact CZ-CE2 3.87Å; F315-Y319 WeakPolarHBondContact O-CD2 3.44Å; F315-Y319 VanDerWaalsContact O-CE2 3.29Å; F315-Y319 WeakPolarHBondContact O-CE2 3.34Å
316F93.4Very high92Very high1 Ų162.3 Ų62.30%0.00432%0.321CS..Hα-helixtrans-74.1-28.7-171-76.6-72.9000114.5L222 A238 L241 Y242 A245 V312 V313 R318 Y319 F320 I322L222-F316 HydrophobicContact CD1-CZ 4.43Å; L222-F316 HydrophobicContact CD2-CE2 4.07Å; L222-F316 HydrophobicContact CD2-CZ 3.7Å; A238-F316 HydrophobicContact CB-CD1 4.26Å; A238-F316 WeakPolarHBondContact O-CD1 3.36Å; A238-F316 WeakPolarHBondContact O-CE1 3.4Å; L241-F316 HydrophobicContact CB-CE1 3.76Å; L241-F316 HydrophobicContact CB-CZ 3.77Å; Y242-F316 HydrophobicContact CD2-CB 3.69Å; Y242-F316 AromaticContact CD2-CD2 3.69Å; Y242-F316 HydrophobicContact CD2-CD2 3.69Å; Y242-F316 AromaticContact CD2-CG 3.82Å; Y242-F316 HydrophobicContact CD2-CG 3.82Å; Y242-F316 HydrophobicContact CG-CB 4.25Å; Y242-F316 HydrophobicContact CG-CD2 4.38Å; Y242-F316 HydrophobicContact CG-CG 4.26Å; A245-F316 HydrophobicContact CB-CE2 4.1Å; V312-F316 HydrophobicContact CG1-CD2 3.88Å; V312-F316 HydrophobicContact CG1-CE2 4.15Å; V312-F316 WeakPolarHBondContact O-CD2 3.44Å; V312-F316 PolarHBondContact O-N 2.81Å; V312-F316 VanDerWaalsContact O-N 3.09Å; V313-F316 PolarHBondContact O-N 2.95Å; F316-R318 PolarHBondContact O-N 3.4Å; F316-Y319 PolarHBondContact O-N 3.49Å; F316-F320 HydrophobicContact CB-CE1 4.08Å; F316-F320 HydrophobicContact CB-CZ 4.44Å; F316-F320 HydrophobicContact CD1-CE1 4.35Å; F316-F320 PolarHBondContact O-N 3.35Å; F316-I322 HydrophobicContact CB-CD1 4.13Å
317S92.1Very high92Very high57 Ų5760.7 Ų60.740%0.39932%0.315SS..THydrogen-bonded Turntrans-62.4-12.5174.963.40000114.5V313 Y319 F320V313-S317 WeakPolarHBondContact O-CB 3.23Å; V313-S317 PolarHBondContact O-N 3.3Å; V313-S317 PolarHBondContact O-OG 3.08Å; S317-Y319 PolarHBondContact O-N 3.05Å; S317-F320 WeakPolarHBondContact CA-O 3.5Å
318R90.7Very high92Very high150 Ų15057.8 Ų57.857%0.56631%0.307SS*.THydrogen-bonded Turntrans-74.1-12.3173.2-54.4176.2-164.71669.4113.2E264 N314 F315 F316E264-R318 IonicContact OE1-NH1 2.72Å; N314-R318 PolarHBondContact O-NE 3.12Å; N314-R318 PolarHBondContact O-NH2 3.25Å; N314-R318 VanDerWaalsContact O-NH2 3.13Å; F315-R318 WeakPolarHBondContact O-CB 3.44Å; F315-R318 WeakPolarHBondContact O-CG 3.24Å; F315-R318 PolarHBondContact O-N 3.09Å; F316-R318 PolarHBondContact O-N 3.4Å
319Y89.8Confident91.9Very high28 Ų2859.8 Ų59.811%0.1132%0.321CS..THydrogen-bonded Turntrans-120.1-26.6-172.8-53.3-81.3000113.3P227 L230 N231 S235 A238 F315 F316 S317P227-Y319 HydrophobicContact CB-CE1 3.99Å; L230-Y319 HydrophobicContact CB-CD1 3.54Å; L230-Y319 HydrophobicContact CB-CE1 3.6Å; L230-Y319 HydrophobicContact CB-CG 4.13Å; L230-Y319 HydrophobicContact CD1-CD1 4.36Å; L230-Y319 HydrophobicContact CD1-CE1 3.71Å; L230-Y319 HydrophobicContact CD1-CE2 3.97Å; L230-Y319 VanDerWaalsContact CD1-CZ 3.47Å; L230-Y319 HydrophobicContact CG-CE1 4.31Å; N231-Y319 WeakPolarHBondContact OD1-CA 3.2Å; N231-Y319 PolarHBondContact OD1-O 3.18Å; S235-Y319 VanDerWaalsContact CB-O 3.3Å; S235-Y319 WeakPolarHBondContact CB-O 3.46Å; S235-Y319 PolarHBondContact OG-O 3.38Å; A238-Y319 HydrophobicContact CB-CG 4.31Å; F315-Y319 HydrophobicContact CD1-CE2 4.12Å; F315-Y319 AromaticContact CE1-CE2 3.71Å; F315-Y319 HydrophobicContact CE1-CE2 3.71Å; F315-Y319 HydrophobicContact CE2-CE2 4.39Å; F315-Y319 AromaticContact CZ-CE2 3.87Å; F315-Y319 HydrophobicContact CZ-CE2 3.87Å; F315-Y319 WeakPolarHBondContact O-CD2 3.44Å; F315-Y319 VanDerWaalsContact O-CE2 3.29Å; F315-Y319 WeakPolarHBondContact O-CE2 3.34Å; F316-Y319 PolarHBondContact O-N 3.49Å; S317-Y319 PolarHBondContact O-N 3.05Å
320F90.1Very high91.8Very high15 Ų1562.4 Ų62.47%0.06634%0.339CS..SBendtrans-159.2154174.366.7-81.5000111.3A238 R239 Y242 F316 S317 I322A238-F320 HydrophobicContact CB-CD1 3.9Å; A238-F320 HydrophobicContact CB-CE1 3.96Å; R239-F320 HydrophobicContact CB-CE1 4.5Å; R239-F320 HydrophobicContact CB-CZ 4.36Å; R239-F320 HydrophobicContact CG-CD1 3.94Å; R239-F320 HydrophobicContact CG-CD2 3.79Å; R239-F320 HydrophobicContact CG-CE1 3.92Å; R239-F320 HydrophobicContact CG-CE2 3.76Å; R239-F320 HydrophobicContact CG-CG 3.89Å; R239-F320 HydrophobicContact CG-CZ 3.84Å; Y242-F320 HydrophobicContact CD1-CZ 4.02Å; Y242-F320 AromaticContact CG-CZ 3.87Å; Y242-F320 HydrophobicContact CG-CZ 3.87Å; F316-F320 HydrophobicContact CB-CE1 4.08Å; F316-F320 HydrophobicContact CB-CZ 4.44Å; F316-F320 HydrophobicContact CD1-CE1 4.35Å; F316-F320 PolarHBondContact O-N 3.35Å; S317-F320 WeakPolarHBondContact CA-O 3.5Å; F320-I322 HydrophobicContact CD2-CG1 4.09Å; F320-I322 HydrophobicContact CE2-CB 4.31Å; F320-I322 HydrophobicContact CE2-CG1 3.43Å; F320-I322 VanDerWaalsContact CE2-CG1 3.43Å; F320-I322 HydrophobicContact CZ-CD1 4.46Å; F320-I322 HydrophobicContact CZ-CG1 3.74Å; F320-I322 PolarHBondContact O-N 3.06Å
321D90.7Very high91.7Very high156 Ų15657 Ų5783%0.83431%0.313SS*.PPolyproline II helixtrans-69.2116.9170.8-63.7-60000110.4P323D321-P323 WeakPolarHBondContact O-CD 3.35Å
322I91.8Very high91.6Very high27 Ų2761.8 Ų61.814%0.13833%0.333CS..PPolyproline II helixtrans-82.6122.2176.2-63.7160.3000108.6Y242 V313 F316 F320 D326 L327Y242-I322 HydrophobicContact CD2-CD1 4.1Å; Y242-I322 HydrophobicContact CE1-CG1 4.47Å; Y242-I322 HydrophobicContact CE1-CG2 3.9Å; Y242-I322 HydrophobicContact CE2-CD1 3.74Å; Y242-I322 HydrophobicContact CE2-CG1 4.46Å; V313-I322 HydrophobicContact CG1-CD1 4.07Å; F316-I322 HydrophobicContact CB-CD1 4.13Å; F320-I322 HydrophobicContact CD2-CG1 4.09Å; F320-I322 HydrophobicContact CE2-CB 4.31Å; F320-I322 HydrophobicContact CE2-CG1 3.43Å; F320-I322 VanDerWaalsContact CE2-CG1 3.43Å; F320-I322 HydrophobicContact CZ-CD1 4.46Å; F320-I322 HydrophobicContact CZ-CG1 3.74Å; F320-I322 PolarHBondContact O-N 3.06Å; I322-D326 HydrophobicContact CG2-CB 4.34Å; I322-L327 HydrophobicContact CG2-CD2 3.91Å
323P91.1Very high91.6Very high61 Ų6165 Ų6540%0.39636%0.356SS..PPolyproline II helixtrans-60.8147.9175.1-2536.2000112.6D321 D325 D326 L327D321-P323 WeakPolarHBondContact O-CD 3.35Å; P323-D325 PolarHBondContact O-N 2.94Å; P323-D326 HydrophobicContact CB-CB 4.26Å; P323-D326 WeakPolarHBondContact CB-OD2 3.43Å; P323-D326 VanDerWaalsContact CG-OD2 3.27Å; P323-D326 WeakPolarHBondContact CG-OD2 3.37Å; P323-D326 PolarHBondContact O-N 3.39Å; P323-L327 PolarHBondContact O-N 2.92Å
324L88.9Confident91.4Very high146 Ų14664.4 Ų64.476%0.76435%0.352SS*.G310 helixtrans-60.6-34-179-66.4176.4000112.8D326 L327L324-D326 VanDerWaalsContact C-N 3.29Å; L324-D326 PolarHBondContact O-N 3.42Å; L324-L327 HydrophobicContact CD2-CD1 4.02Å
325D89.4Confident91.4Very high158 Ų15868.9 Ų68.985%0.84537%0.367SS*.G310 helixtrans-73.2-20.9177.5-56.3-50.7000112.7P323P323-D325 PolarHBondContact O-N 2.94Å
326D91Very high91.4Very high47 Ų4772.1 Ų72.125%0.25138%0.379SS..G310 helixtrans-90.6-5179.9-74.7-50.3000113.6Y242 Y243 K246 I322 P323 L324Y242-D326 PolarHBondContact OH-O 3.48Å; Y243-D326 HydrophobicContact CE1-CB 4.36Å; Y243-D326 PolarHBondContact OH-OD2 3.01Å; K246-D326 WeakPolarHBondContact CD-O 3.3Å; K246-D326 VanDerWaalsContact NZ-C 3.3Å; K246-D326 PolarHBondContact NZ-O 2.82Å; I322-D326 HydrophobicContact CG2-CB 4.34Å; P323-D326 HydrophobicContact CB-CB 4.26Å; P323-D326 WeakPolarHBondContact CB-OD2 3.43Å; P323-D326 VanDerWaalsContact CG-OD2 3.27Å; P323-D326 WeakPolarHBondContact CG-OD2 3.37Å; P323-D326 PolarHBondContact O-N 3.39Å; L324-D326 VanDerWaalsContact C-N 3.29Å; L324-D326 PolarHBondContact O-N 3.42Å
327L92.5Very high91.3Very high62 Ų6278.5 Ų78.533%0.32541%0.412SS..SBendtrans-60.2156.8176.8-68.5174.1000112.9K246 V313 I322 P323 L324 S329K246-L327 WeakPolarHBondContact CE-O 3.47Å; K246-L327 PolarHBondContact NZ-O 3.38Å; V313-L327 HydrophobicContact CG1-CD2 4.09Å; V313-L327 HydrophobicContact CG2-CD2 3.99Å; I322-L327 HydrophobicContact CG2-CD2 3.91Å; P323-L327 PolarHBondContact O-N 2.92Å; L324-L327 HydrophobicContact CD2-CD1 4.02Å; L327-S329 PolarHBondContact O-N 2.96Å
328P92.5Very high91.1Very high24 Ų2477.7 Ų77.716%0.15640%0.403CS..PPolyproline II helixtrans-63.2134.5178.2-2135000112Y242 L249 A309 V313Y242-P328 WeakPolarHBondContact OH-CD 3.4Å; L249-P328 HydrophobicContact CD2-CB 4.08Å; L249-P328 HydrophobicContact CD2-CG 4.39Å; A309-P328 HydrophobicContact CB-CB 3.96Å; A309-P328 HydrophobicContact CB-CG 4.07Å; V313-P328 HydrophobicContact CG2-CG 3.91Å
329S92.9Very high90.9Very high43 Ų4372.5 Ų72.530%0.30139%0.387SS..PPolyproline II helixtrans-62.5141.4179.6-53.70000110.9E250 Y305 L327E250-S329 WeakPolarHBondContact OE1-CB 3.37Å; E250-S329 PolarHBondContact OE1-N 3.21Å; E250-S329 PolarHBondContact OE1-OG 3.06Å; Y305-S329 WeakPolarHBondContact CE1-O 3.42Å; Y305-S329 PolarHBondContact OH-O 3.26Å; L327-S329 PolarHBondContact O-N 2.96Å
330S92.9Very high90.8Very high68 Ų6871.4 Ų71.448%0.47638%0.383SS..PPolyproline II helixtrans-65.3147.3176.465.60000111.8D332 S333 I334S330-D332 PolarHBondContact O-N 3.17Å; S330-S333 PolarHBondContact N-OG 2.87Å; S330-S333 PolarHBondContact O-N 3.49Å; S330-S333 PolarHBondContact O-OG 3.37Å; S330-S333 PolarHBondContact OG-OG 2.83Å; S330-I334 PolarHBondContact O-N 3.49Å
331L91Very high90.6Very high4 Ų470.7 Ų70.72%0.02138%0.38CS..THydrogen-bonded Turntrans-57.4-30.7-172.6-169.456000113.9A253 V258 R296 A301 Y305A253-L331 HydrophobicContact CB-CD1 3.54Å; V258-L331 HydrophobicContact CG2-CD1 4.34Å; V258-L331 HydrophobicContact CG2-CD2 3.9Å; R296-L331 HydrophobicContact CG-CD1 4.07Å; R296-L331 HydrophobicContact CG-CD2 4.15Å; R296-L331 HydrophobicContact CG-CG 4.14Å; R296-L331 PolarHBondContact NH2-O 2.74Å; A301-L331 HydrophobicContact CB-CD2 3.9Å; Y305-L331 HydrophobicContact CD1-CB 3.81Å; Y305-L331 HydrophobicContact CD2-CD1 3.92Å; Y305-L331 HydrophobicContact CE1-CB 4.28Å; Y305-L331 HydrophobicContact CE2-CD1 4.29Å; Y305-L331 HydrophobicContact CG-CB 4.05Å; Y305-L331 HydrophobicContact CG-CD1 4.05Å; Y305-L331 HydrophobicContact CG-CD2 4.22Å; Y305-L331 HydrophobicContact CG-CG 4.34Å
332D90.4Very high90.3Very high125 Ų12565.1 Ų65.167%0.66835%0.35SS*.THydrogen-bonded Turntrans-74.3-26.3177.1-62.8-42.4000113.3N302 S330N302-D332 PolarHBondContact ND2-OD1 3Å; N302-D332 PolarHBondContact ND2-OD2 3.47Å; N302-D332 VanDerWaalsContact ND2-OD2 3.09Å; S330-D332 PolarHBondContact O-N 3.17Å
333S92.3Very high89.7Confident71 Ų7171.2 Ų71.250%0.49738%0.378SS..THydrogen-bonded Turntrans-82.3-23.6178.367.20000113.2S330 K335S330-S333 PolarHBondContact N-OG 2.87Å; S330-S333 PolarHBondContact O-N 3.49Å; S330-S333 PolarHBondContact O-OG 3.37Å; S330-S333 PolarHBondContact OG-OG 2.83Å; S333-K335 PolarHBondContact O-N 3Å
334I91.9Very high89.1Confident16 Ų1669.4 Ų69.48%0.08236%0.364CS..SBendtrans-72.8117.7179.3-63.5170000110.1E250 A253 R296 Y305 S330 R336E250-I334 HydrophobicContact CB-CD1 4.19Å; E250-I334 HydrophobicContact CG-CD1 4.01Å; A253-I334 HydrophobicContact CB-CD1 3.69Å; A253-I334 HydrophobicContact CB-CG2 4.03Å; R296-I334 VanDerWaalsContact CZ-O 3.22Å; R296-I334 PolarHBondContact NH1-O 2.99Å; R296-I334 PolarHBondContact NH2-O 3.11Å; Y305-I334 HydrophobicContact CE2-CD1 4.2Å; Y305-I334 WeakPolarHBondContact OH-CD1 3.47Å; S330-I334 PolarHBondContact O-N 3.49Å; I334-R336 PolarHBondContact O-N 3.15Å
335K92.1Very high88.6Confident179 Ų17966.4 Ų66.478%0.77835%0.345SS*.PPolyproline II helixtrans-67129.9177-65.3175.4-176.41710110.3S333 I337S333-K335 PolarHBondContact O-N 3Å; K335-I337 PolarHBondContact O-N 3.25Å
336R91.8Very high87.7Confident76 Ų7659 Ų5929%0.28731%0.306SS..PPolyproline II helixtrans-74.1119.1172.4-166.8172.9-174.5157.2-1.7108.3S254 D297 I334 D338 D339 D341S254-R336 CarbonylContact O-C 3.54Å; S254-R336 WeakPolarHBondContact O-CA 3.49Å; D297-R336 IonicContact OD1-NH1 3Å; D297-R336 PolarHBondContact OD1-NH1 2.73Å; D297-R336 IonicContact OD2-CZ 2.69Å; D297-R336 IonicContact OD2-NH1 2.72Å; D297-R336 PolarHBondContact OD2-NH1 2.98Å; D297-R336 IonicContact OD2-NH2 3.3Å; D297-R336 PolarHBondContact OD2-NH2 2.72Å; I334-R336 PolarHBondContact O-N 3.15Å; R336-D338 VanDerWaalsContact CG-O 3.27Å; R336-D338 WeakPolarHBondContact CG-O 3.46Å; R336-D339 IonicContact CZ-OD1 3.74Å; R336-D339 IonicContact NE-OD1 3.65Å; R336-D339 PolarHBondContact NE-OD1 3.46Å; R336-D339 IonicContact NH2-OD1 3.96Å; R336-D339 PolarHBondContact NH2-OD1 2.92Å; R336-D341 IonicContact CZ-OD1 3.76Å; R336-D341 IonicContact NH2-OD1 3.81Å; R336-D341 PolarHBondContact NH2-OD1 3.46Å; R336-D341 IonicContact NH2-OD2 2.64Å; R336-D341 PolarHBondContact NH2-OD2 3.44Å
337I91Very high86.8Confident135 Ų13557.5 Ų57.569%0.69230%0.299SS*.  trans-93.9-31.9178.6-62.5176000109.9S254 K335S254-I337 PolarHBondContact O-N 2.97Å; K335-I337 PolarHBondContact O-N 3.25Å
338D87.6Confident85.4Confident41 Ų4156.1 Ų56.122%0.21930%0.299CS..  trans-149.3163.7-173.5-155.1-17.4000111.6K196 S254 L255 R336 V340K196-D338 WeakPolarHBondContact CE-OD2 3.45Å; K196-D338 IonicContact NZ-OD2 3.75Å; K196-D338 PolarHBondContact NZ-OD2 3.14Å; S254-D338 PolarHBondContact O-N 3.42Å; L255-D338 CarbonylContact C-O 3.53Å; L255-D338 VanDerWaalsContact C-O 3.28Å; L255-D338 HydrophobicContact CD2-CB 3.75Å; R336-D338 VanDerWaalsContact CG-O 3.27Å; R336-D338 WeakPolarHBondContact CG-O 3.46Å; D338-V340 HydrophobicContact CB-CG2 3.95Å
339D87.2Confident84.3Confident40 Ų4057.6 Ų57.621%0.21430%0.302CS..  trans-111.543.4-178.2-74.1-17.2000111.1R336 D341 L342 H343 K352R336-D339 IonicContact CZ-OD1 3.74Å; R336-D339 IonicContact NE-OD1 3.65Å; R336-D339 PolarHBondContact NE-OD1 3.46Å; R336-D339 IonicContact NH2-OD1 3.96Å; R336-D339 PolarHBondContact NH2-OD1 2.92Å; D339-D341 PolarHBondContact O-N 3.28Å; D339-D341 VanDerWaalsContact O-N 3.15Å; D339-L342 HydrophobicContact CB-CB 4.21Å; D339-L342 HydrophobicContact CB-CD1 3.79Å; D339-L342 HydrophobicContact CB-CG 4Å; D339-L342 WeakPolarHBondContact O-CB 3.39Å; D339-L342 PolarHBondContact O-N 3.32Å; D339-H343 PolarHBondContact O-CD2 3.49Å; D339-H343 PolarHBondContact O-N 3.08Å; D339-K352 IonicContact OD2-NZ 2.56Å; D339-K352 PolarHBondContact OD2-NZ 3.48Å
340V87.7Confident83Confident6 Ų660.7 Ų60.74%0.03631%0.314CS..Hα-helixtrans-60.1-30.6-174-173.60000111.1L255 L257 D338 H343 L344L255-V340 HydrophobicContact CB-CB 4.28Å; L255-V340 HydrophobicContact CB-CG2 3.85Å; L255-V340 HydrophobicContact CD1-CG2 4.45Å; L255-V340 HydrophobicContact CD2-CG2 4Å; L255-V340 HydrophobicContact CG-CG2 4.31Å; L255-V340 WeakPolarHBondContact O-CB 3.32Å; L255-V340 PolarHBondContact O-N 3.42Å; L255-V340 VanDerWaalsContact O-N 3.16Å; L257-V340 HydrophobicContact CD1-CB 4.38Å; L257-V340 HydrophobicContact CD1-CG1 4.22Å; D338-V340 HydrophobicContact CB-CG2 3.95Å; V340-H343 PolarHBondContact O-N 3.43Å; V340-L344 HydrophobicContact CG1-CD1 3.8Å; V340-L344 HydrophobicContact CG1-CG 4.19Å; V340-L344 VanDerWaalsContact O-CB 3.32Å; V340-L344 WeakPolarHBondContact O-CB 3.17Å; V340-L344 VanDerWaalsContact O-CG 3.23Å; V340-L344 WeakPolarHBondContact O-CG 3.31Å; V340-L344 PolarHBondContact O-N 2.98Å
341D86.2Confident81.5Confident0 Ų059.5 Ų59.50%031%0.306CS..Hα-helixtrans-63.5-34.1172.871.8-48.3000114.2G256 L257 S295 R336 D339 K345 A346G256-D341 VanDerWaalsContact O-CB 3.24Å; G256-D341 WeakPolarHBondContact O-CB 3.47Å; G256-D341 VanDerWaalsContact O-CG 3.32Å; L257-D341 HydrophobicContact CD2-CB 3.71Å; L257-D341 HydrophobicContact CG-CB 4.3Å; S295-D341 VanDerWaalsContact CB-OD2 3.31Å; S295-D341 WeakPolarHBondContact CB-OD2 3.23Å; S295-D341 PolarHBondContact OG-OD2 3.46Å; R336-D341 IonicContact CZ-OD1 3.76Å; R336-D341 IonicContact NH2-OD1 3.81Å; R336-D341 PolarHBondContact NH2-OD1 3.46Å; R336-D341 IonicContact NH2-OD2 2.64Å; R336-D341 PolarHBondContact NH2-OD2 3.44Å; D339-D341 PolarHBondContact O-N 3.28Å; D339-D341 VanDerWaalsContact O-N 3.15Å; D341-K345 CarbonylContact O-C 3.57Å; D341-K345 WeakPolarHBondContact O-CA 3.44Å; D341-K345 PolarHBondContact O-N 3.27Å; D341-A346 HydrophobicContact CB-CB 3.95Å; D341-A346 PolarHBondContact O-N 3.21Å
342L84.1Confident79.9Confident38 Ų3866.7 Ų66.720%0.19934%0.337CS..Hα-helixtrans-69.1-42.8172-62.7-176.6000110.8D339 K345 Y349 I350 K352D339-L342 HydrophobicContact CB-CB 4.21Å; D339-L342 HydrophobicContact CB-CD1 3.79Å; D339-L342 HydrophobicContact CB-CG 4Å; D339-L342 WeakPolarHBondContact O-CB 3.39Å; D339-L342 PolarHBondContact O-N 3.32Å; L342-K345 PolarHBondContact O-N 3.37Å; L342-Y349 HydrophobicContact CD2-CD2 3.75Å; L342-Y349 HydrophobicContact CD2-CG 4.39Å; L342-I350 WeakPolarHBondContact CD2-O 3.43Å; L342-K352 HydrophobicContact CD1-CD 3.91Å; L342-K352 HydrophobicContact CD1-CG 4.33Å
343H79.6Confident77.9Confident156 Ų15666 Ų6672%0.72233%0.334SS*.Hα-helixtrans-64.1-41.5177.2-73.9-81.2000112.2D339 V340 K345D339-H343 PolarHBondContact O-CD2 3.49Å; D339-H343 PolarHBondContact O-N 3.08Å; V340-H343 PolarHBondContact O-N 3.43Å; H343-K345 VanDerWaalsContact C-N 3.3Å; H343-K345 PolarHBondContact O-N 2.72Å
344L78.1Confident75.8Confident22 Ų2266.1 Ų66.112%0.11534%0.339CS..Hα-helixtrans-75.3-13.4176-71.4169.8000114.2V188 M189 L257 V340 A346V188-L344 HydrophobicContact CB-CD2 4.38Å; V188-L344 HydrophobicContact CG1-CD2 3.75Å; M189-L344 HydrophobicContact CG-CD1 3.73Å; M189-L344 HydrophobicContact CG-CD2 3.66Å; M189-L344 HydrophobicContact CG-CG 4.29Å; M189-L344 HydrophobicContact SD-CD1 4.41Å; L257-L344 HydrophobicContact CD1-CD1 3.92Å; L257-L344 HydrophobicContact CD2-CD1 4.11Å; V340-L344 HydrophobicContact CG1-CD1 3.8Å; V340-L344 HydrophobicContact CG1-CG 4.19Å; V340-L344 VanDerWaalsContact O-CB 3.32Å; V340-L344 WeakPolarHBondContact O-CB 3.17Å; V340-L344 VanDerWaalsContact O-CG 3.23Å; V340-L344 WeakPolarHBondContact O-CG 3.31Å; V340-L344 PolarHBondContact O-N 2.98Å; L344-A346 HydrophobicContact CB-CB 4.31Å; L344-A346 PolarHBondContact O-N 3.18Å
345K78Confident73.5Confident83 Ų8371.3 Ų71.336%0.36137%0.371SS..THydrogen-bonded Turntrans52.840-165.9-57.3174.8-170.1167.10111.9D341 L342 H343 Y349 D365D341-K345 CarbonylContact O-C 3.57Å; D341-K345 WeakPolarHBondContact O-CA 3.44Å; D341-K345 PolarHBondContact O-N 3.27Å; L342-K345 PolarHBondContact O-N 3.37Å; H343-K345 VanDerWaalsContact C-N 3.3Å; H343-K345 PolarHBondContact O-N 2.72Å; K345-Y349 VanDerWaalsContact C-CD1 3.42Å; K345-Y349 HydrophobicContact CB-CD1 4.18Å; K345-Y349 HydrophobicContact CB-CE1 3.56Å; K345-Y349 HydrophobicContact CG-CE1 4.21Å; K345-Y349 WeakPolarHBondContact O-CD1 3.49Å; K345-D365 HydrophobicContact CD-CB 4.36Å; K345-D365 VanDerWaalsContact CD-OD1 3.25Å; K345-D365 WeakPolarHBondContact CD-OD1 3.42Å; K345-D365 IonicContact NZ-OD1 3.29Å; K345-D365 PolarHBondContact NZ-OD1 2.88Å; K345-D365 IonicContact NZ-OD2 2.69Å; K345-D365 PolarHBondContact NZ-OD2 3.22Å
346A71.5Confident71Confident2 Ų268.3 Ų68.32%0.01736%0.364CS..  trans-61.6143.6-171.500000111.9L257 D341 L344 G348 Y349L257-A346 HydrophobicContact CD2-CB 3.84Å; D341-A346 HydrophobicContact CB-CB 3.95Å; D341-A346 PolarHBondContact O-N 3.21Å; L344-A346 HydrophobicContact CB-CB 4.31Å; L344-A346 PolarHBondContact O-N 3.18Å; A346-G348 PolarHBondContact O-N 3.44Å; A346-G348 VanDerWaalsContact O-N 3.12Å; A346-Y349 WeakPolarHBondContact O-CB 3.49Å; A346-Y349 VanDerWaalsContact O-CD1 3.28Å; A346-Y349 WeakPolarHBondContact O-CD1 3.34Å; A346-Y349 PolarHBondContact O-N 2.94Å
347P70.9Confident68.6Low16 Ų1675.5 Ų75.510%0.10439%0.391CS..THydrogen-bonded Turntrans-51.5121.1-173-20.725.6000112.9M293 I294 S295 A372M293-P347 WeakPolarHBondContact O-CD 3.14Å; I294-P347 HydrophobicContact CG2-CB 4.27Å; S295-P347 PolarHBondContact N-O 3.2Å; P347-A372 HydrophobicContact CB-CB 3.93Å; P347-A372 HydrophobicContact CG-CB 3.2Å
348G64.4Low66.2Low33 Ų3377.5 Ų77.534%0.3440%0.397SS..THydrogen-bonded Turntrans101.7-9.8-178.800000115.8A346A346-G348 PolarHBondContact O-N 3.44Å; A346-G348 VanDerWaalsContact O-N 3.12Å
349Y69.2Low64.1Low56 Ų5679.4 Ų79.422%0.2241%0.413CS..  trans-54.3139.7-177.783.9-83.6000113.6L342 K345 A346 S351L342-Y349 HydrophobicContact CD2-CD2 3.75Å; L342-Y349 HydrophobicContact CD2-CG 4.39Å; K345-Y349 VanDerWaalsContact C-CD1 3.42Å; K345-Y349 HydrophobicContact CB-CD1 4.18Å; K345-Y349 HydrophobicContact CB-CE1 3.56Å; K345-Y349 HydrophobicContact CG-CE1 4.21Å; K345-Y349 WeakPolarHBondContact O-CD1 3.49Å; A346-Y349 WeakPolarHBondContact O-CB 3.49Å; A346-Y349 VanDerWaalsContact O-CD1 3.28Å; A346-Y349 WeakPolarHBondContact O-CD1 3.34Å; A346-Y349 PolarHBondContact O-N 2.94Å; Y349-S351 PolarHBondContact O-N 3.14Å
350I65.8Low61.8Low107 Ų10786.4 Ų86.455%0.54945%0.445SS..  trans-93101.8175.3-59.5176.5000108.4D297 L342 K352D297-I350 HydrophobicContact CB-CD1 3.99Å; D297-I350 HydrophobicContact CB-CG1 3.95Å; L342-I350 WeakPolarHBondContact CD2-O 3.43Å; I350-K352 PolarHBondContact O-N 3.32Å
351S60.7Low59.8Low44 Ų4491.7 Ų91.731%0.30847%0.469SS..  trans-58.5115.1172.5-179.90000110.4Y349 N353 A354Y349-S351 PolarHBondContact O-N 3.14Å; S351-N353 PolarHBondContact O-N 2.99Å; S351-N353 PolarHBondContact OG-N 3.16Å; S351-A354 WeakPolarHBondContact O-CB 3.29Å; S351-A354 PolarHBondContact O-N 3.4Å
352K56.8Low58Low154 Ų15494.8 Ų94.867%0.6749%0.488SS*.THydrogen-bonded Turntrans-57.1-17.4176.6-67.8174.5175.6170.50112.9D339 L342 I350D339-K352 IonicContact OD2-NZ 2.56Å; D339-K352 PolarHBondContact OD2-NZ 3.48Å; L342-K352 HydrophobicContact CD1-CD 3.91Å; L342-K352 HydrophobicContact CD1-CG 4.33Å; I350-K352 PolarHBondContact O-N 3.32Å
353N48.5Very low56.2Low112 Ų11298.1 Ų98.160%0.59951%0.51SS*.THydrogen-bonded Turntrans-101.421.9176.7-69.3-18.3000114.3S351 T355 N356S351-N353 PolarHBondContact O-N 2.99Å; S351-N353 PolarHBondContact OG-N 3.16Å; N353-T355 PolarHBondContact O-N 2.96Å; N353-N356 PolarHBondContact O-N 2.94Å
354A48.5Very low54.7Low73 Ų7393.5 Ų93.560%0.60349%0.489SS*.THydrogen-bonded Turntrans-57.7-12.7-177.100000115.8S351S351-A354 WeakPolarHBondContact O-CB 3.29Å; S351-A354 PolarHBondContact O-N 3.4Å
355T43.3Very low53.3Low125 Ų12594.2 Ų94.277%0.76749%0.493SS*.THydrogen-bonded Turntrans-68.4-34.6169.446.20000113N353 R357N353-T355 PolarHBondContact O-N 2.96Å; T355-R357 PolarHBondContact O-N 3.46Å
356N40.8Very low51.7Low116 Ų11693.8 Ų93.862%0.6250%0.5SS*.  trans-98.386-176.3-81.5-23.8000111.7N353 H358N353-N356 PolarHBondContact O-N 2.94Å; N356-H358 PolarHBondContact O-N 3.09Å
357R41.3Very low50.7Low227 Ų22796.3 Ų96.386%0.85751%0.513SS*.THydrogen-bonded Turntrans-66.321-179.1-63.9-178.7173.7173.1-1.6116.1T355T355-R357 PolarHBondContact O-N 3.46Å
358H39.8Very low49.8Very low177 Ų17797 Ų9782%0.81952%0.515SS*.THydrogen-bonded Turntrans-121.33-173.8-69.6-52.9000115N356 Q360N356-H358 PolarHBondContact O-N 3.09Å; H358-Q360 PolarHBondContact O-N 3.29Å
359S43.2Very low49.3Very low80 Ų8096.6 Ų96.656%0.55951%0.512SS*.SBendtrans-61.5122.6163.656.10000109.6H361S359-H361 PolarHBondContact O-N 3.41Å
360Q40Very low48.5Very low188 Ų18896.7 Ų96.788%0.87952%0.519SS*.  trans-66.890.8-178.9-65.3179.72.700110.7H358 T362H358-Q360 PolarHBondContact O-N 3.29Å; Q360-T362 PolarHBondContact O-N 3.14Å
361H44.4Very low48Very low116 Ų11691.7 Ų91.754%0.53749%0.494SS..  trans-60.7118.6165.8-88.4-74.6000108.7S359S359-H361 PolarHBondContact O-N 3.41Å
362T49.6Very low47.8Very low65 Ų6589.6 Ų89.640%0.39948%0.479SS..  trans-66.1153.6170.165.30000109.3Q360 E364 D365 S366Q360-T362 PolarHBondContact O-N 3.14Å; T362-E364 PolarHBondContact O-N 3.13Å; T362-D365 PolarHBondContact N-OD2 2.92Å; T362-D365 PolarHBondContact O-N 3.21Å; T362-D365 PolarHBondContact OG1-N 2.77Å; T362-D365 PolarHBondContact OG1-OD2 3.49Å; T362-S366 PolarHBondContact O-N 3.04Å; T362-S366 VanDerWaalsContact O-N 3.12Å
363T45.4Very low47.8Very low108 Ų10890.8 Ų90.866%0.66348%0.479SS*.THydrogen-bonded Turntrans-60.4-27172.545.50000111.8L367T363-L367 WeakPolarHBondContact O-CB 3.45Å; T363-L367 WeakPolarHBondContact O-CD1 3.46Å; T363-L367 WeakPolarHBondContact O-CG 3.5Å; T363-L367 PolarHBondContact O-N 2.79Å
364E47.9Very low48.3Very low60 Ų6087.8 Ų87.828%0.2846%0.463SS..THydrogen-bonded Turntrans-67-52.1173.8-46.7-165.3128.200111.3L181 R184 T362 S366 L367 L368L181-E364 HydrophobicContact CD2-CB 4.09Å; R184-E364 IonicContact CZ-OE2 2.71Å; R184-E364 IonicContact NH1-OE1 3.84Å; R184-E364 IonicContact NH1-OE2 3.44Å; R184-E364 PolarHBondContact NH1-OE2 2.97Å; R184-E364 IonicContact NH2-OE2 3.43Å; T362-E364 PolarHBondContact O-N 3.13Å; E364-S366 VanDerWaalsContact C-N 3.27Å; E364-S366 PolarHBondContact O-N 2.88Å; E364-L367 PolarHBondContact O-N 3.06Å; E364-L368 VanDerWaalsContact O-CD1 3.28Å; E364-L368 WeakPolarHBondContact O-CD1 3.36Å; E364-L368 PolarHBondContact O-N 3.38Å
365D48.5Very low48.8Very low37 Ų3784.4 Ų84.420%0.19844%0.435CS..Hα-helixtrans-54.7-44.4176.4-64.1-44.8000111.6K345 T362 L367 L368K345-D365 HydrophobicContact CD-CB 4.36Å; K345-D365 VanDerWaalsContact CD-OD1 3.25Å; K345-D365 WeakPolarHBondContact CD-OD1 3.42Å; K345-D365 IonicContact NZ-OD1 3.29Å; K345-D365 PolarHBondContact NZ-OD1 2.88Å; K345-D365 IonicContact NZ-OD2 2.69Å; K345-D365 PolarHBondContact NZ-OD2 3.22Å; T362-D365 PolarHBondContact N-OD2 2.92Å; T362-D365 PolarHBondContact O-N 3.21Å; T362-D365 PolarHBondContact OG1-N 2.77Å; T362-D365 PolarHBondContact OG1-OD2 3.49Å; D365-L367 PolarHBondContact O-N 3.1Å; D365-L368 PolarHBondContact O-N 3.49Å
366S44.8Very low49.5Very low74 Ų7479.9 Ų79.952%0.51741%0.406SS..Hα-helixtrans-69.3-11.3-179.6-174.10000113.6T362 E364 P370T362-S366 PolarHBondContact O-N 3.04Å; T362-S366 VanDerWaalsContact O-N 3.12Å; E364-S366 VanDerWaalsContact C-N 3.27Å; E364-S366 PolarHBondContact O-N 2.88Å; S366-P370 WeakPolarHBondContact O-CD 3.49Å; S366-P370 WeakPolarHBondContact O-CG 3.32Å
367L50.6Low50.2Low55 Ų5576.1 Ų76.129%0.28839%0.388SS..Hα-helixtrans-108.5-19.4-179.6-70.4172.7000113.2Y177 L181 T363 E364 D365 G369 P370 V371Y177-L367 HydrophobicContact CE1-CD1 3.63Å; L181-L367 HydrophobicContact CD1-CB 3.51Å; T363-L367 WeakPolarHBondContact O-CB 3.45Å; T363-L367 WeakPolarHBondContact O-CD1 3.46Å; T363-L367 WeakPolarHBondContact O-CG 3.5Å; T363-L367 PolarHBondContact O-N 2.79Å; E364-L367 PolarHBondContact O-N 3.06Å; D365-L367 PolarHBondContact O-N 3.1Å; L367-G369 PolarHBondContact O-N 3.48Å; L367-P370 WeakPolarHBondContact O-CD 3.4Å; L367-V371 VanDerWaalsContact O-CG2 3.27Å; L367-V371 WeakPolarHBondContact O-CG2 3.44Å; L367-V371 PolarHBondContact O-N 2.93Å
368L51.9Low50.9Low29 Ų2966.1 Ų66.115%0.15235%0.353CS..Hα-helixtrans-57.4-45.8170.1-9977.1000112.7L181 R185 E364 D365 V371 A372L181-L368 HydrophobicContact CB-CD1 4.09Å; L181-L368 HydrophobicContact CD1-CD1 4.2Å; L181-L368 HydrophobicContact CD2-CD1 3.86Å; L181-L368 HydrophobicContact CG-CD1 4.26Å; R185-L368 HydrophobicContact CB-CD2 4.12Å; R185-L368 HydrophobicContact CG-CD2 3.93Å; E364-L368 VanDerWaalsContact O-CD1 3.28Å; E364-L368 WeakPolarHBondContact O-CD1 3.36Å; E364-L368 PolarHBondContact O-N 3.38Å; D365-L368 PolarHBondContact O-N 3.49Å; L368-V371 WeakPolarHBondContact O-CB 3.36Å; L368-V371 PolarHBondContact O-N 2.97Å; L368-A372 PolarHBondContact O-N 2.86Å
369G53.3Low51.2Low26 Ų2658.7 Ų58.727%0.26832%0.321SS..Hα-helixtrans-60.3-49.3177.200000113.3L367 V371 A372 R373L367-G369 PolarHBondContact O-N 3.48Å; G369-V371 PolarHBondContact O-N 3.04Å; G369-A372 PolarHBondContact O-N 2.63Å; G369-R373 PolarHBondContact O-N 3.44Å
370P52.3Low51.3Low58 Ų5860.6 Ų60.638%0.37732%0.321SS..Hα-helixtrans-58.2-36.5169.2-30.737000115.5S366 L367 R373 L374S366-P370 WeakPolarHBondContact O-CD 3.49Å; S366-P370 WeakPolarHBondContact O-CG 3.32Å; L367-P370 WeakPolarHBondContact O-CD 3.4Å; P370-R373 PolarHBondContact O-N 3.5Å; P370-L374 WeakPolarHBondContact O-CB 3.29Å; P370-L374 VanDerWaalsContact O-CG 3.26Å; P370-L374 WeakPolarHBondContact O-CG 3.26Å; P370-L374 PolarHBondContact O-N 3.48Å
371V57.1Low51.2Low1 Ų157 Ų571%0.00631%0.308CS..Hα-helixtrans-58.9-54.3173.7164.40000109.9L152 L178 L181 A182 L367 L368 G369 R373 L374 Q375L152-V371 HydrophobicContact CD2-CG1 4Å; L178-V371 HydrophobicContact CB-CG2 4.32Å; L178-V371 HydrophobicContact CD2-CG2 3.46Å; L178-V371 VanDerWaalsContact CD2-CG2 3.46Å; L178-V371 HydrophobicContact CG-CG2 4.48Å; L181-V371 HydrophobicContact CB-CG2 4.16Å; L181-V371 HydrophobicContact CD1-CG2 4.15Å; A182-V371 HydrophobicContact CB-CG1 4.37Å; L367-V371 VanDerWaalsContact O-CG2 3.27Å; L367-V371 WeakPolarHBondContact O-CG2 3.44Å; L367-V371 PolarHBondContact O-N 2.93Å; L368-V371 WeakPolarHBondContact O-CB 3.36Å; L368-V371 PolarHBondContact O-N 2.97Å; G369-V371 PolarHBondContact O-N 3.04Å; V371-R373 VanDerWaalsContact C-N 3.35Å; V371-R373 PolarHBondContact O-N 3.46Å; V371-L374 WeakPolarHBondContact O-CB 3.42Å; V371-L374 PolarHBondContact O-N 3.46Å; V371-L374 VanDerWaalsContact O-N 3.12Å; V371-Q375 WeakPolarHBondContact O-CG 3.41Å; V371-Q375 PolarHBondContact O-N 2.84Å
372A55.2Low50.9Low0 Ų052.9 Ų52.90%029%0.293CS..Hα-helixtrans-57.8-45.2178.400000112.7R185 P347 L368 G369 L374 Q375 L376R185-A372 VanDerWaalsContact NH1-CB 3.3Å; P347-A372 HydrophobicContact CB-CB 3.93Å; P347-A372 HydrophobicContact CG-CB 3.2Å; L368-A372 PolarHBondContact O-N 2.86Å; G369-A372 PolarHBondContact O-N 2.63Å; A372-L374 VanDerWaalsContact C-N 3.3Å; A372-L374 PolarHBondContact O-N 3.05Å; A372-Q375 PolarHBondContact O-N 3.44Å; A372-L376 WeakPolarHBondContact O-CB 3.29Å; A372-L376 WeakPolarHBondContact O-CG 3.39Å; A372-L376 PolarHBondContact O-N 3.45Å
373R56.4Low50.3Low180 Ų18055.2 Ų55.268%0.67930%0.299SS*.Hα-helixtrans-64.1-35.4178.6-173178.6-65.6168.10.9112.4G369 P370 V371 S377G369-R373 PolarHBondContact O-N 3.44Å; P370-R373 PolarHBondContact O-N 3.5Å; V371-R373 VanDerWaalsContact C-N 3.35Å; V371-R373 PolarHBondContact O-N 3.46Å; R373-S377 WeakPolarHBondContact O-CB 3.39Å; R373-S377 PolarHBondContact O-N 3.24Å; R373-S377 PolarHBondContact O-OG 3.24Å
374L59.8Low49.7Very low48 Ų4855.2 Ų55.225%0.25130%0.298SS..Hα-helixtrans-66.4-44174.2-77.9167.5000111.1F157 P370 V371 A372 S377 S378F157-L374 HydrophobicContact CZ-CD2 4.13Å; P370-L374 WeakPolarHBondContact O-CB 3.29Å; P370-L374 VanDerWaalsContact O-CG 3.26Å; P370-L374 WeakPolarHBondContact O-CG 3.26Å; P370-L374 PolarHBondContact O-N 3.48Å; V371-L374 WeakPolarHBondContact O-CB 3.42Å; V371-L374 PolarHBondContact O-N 3.46Å; V371-L374 VanDerWaalsContact O-N 3.12Å; A372-L374 VanDerWaalsContact C-N 3.3Å; A372-L374 PolarHBondContact O-N 3.05Å; L374-S377 CarbonylContact O-C 3.6Å; L374-S377 PolarHBondContact O-N 3.27Å; L374-S377 PolarHBondContact O-OG 2.86Å; L374-S378 PolarHBondContact O-N 3.09Å; L374-S378 PolarHBondContact O-OG 2.69Å
375Q59.3Low49Very low2 Ų259.3 Ų59.31%0.00932%0.317CS..Hα-helixtrans-70.3-43.9-178.8-66.7-178.1-92.200112.8E112 L152 V371 A372 S377 S378 S379E112-Q375 WeakPolarHBondContact OE2-CG 3.39Å; E112-Q375 PolarHBondContact OE2-NE2 3.01Å; L152-Q375 HydrophobicContact CD2-CG 3.76Å; L152-Q375 HydrophobicContact CG-CG 4.23Å; V371-Q375 WeakPolarHBondContact O-CG 3.41Å; V371-Q375 PolarHBondContact O-N 2.84Å; A372-Q375 PolarHBondContact O-N 3.44Å; Q375-S377 PolarHBondContact O-N 3.5Å; Q375-S378 WeakPolarHBondContact O-CA 3.43Å; Q375-S378 WeakPolarHBondContact O-CB 3.35Å; Q375-S378 PolarHBondContact O-N 3Å; Q375-S379 PolarHBondContact O-N 3.16Å
376L58.1Low48.2Very low30 Ų3064.5 Ų64.516%0.15734%0.341CS..Hα-helixtrans-52.8-42169.5-72.2165000111.1Q292 I294 A372 S378 S379 E380Q292-L376 HydrophobicContact CB-CD2 4.38Å; I294-L376 HydrophobicContact CG2-CD1 3.94Å; A372-L376 WeakPolarHBondContact O-CB 3.29Å; A372-L376 WeakPolarHBondContact O-CG 3.39Å; A372-L376 PolarHBondContact O-N 3.45Å; L376-S378 VanDerWaalsContact C-N 3.32Å; L376-S378 PolarHBondContact O-N 2.91Å; L376-S379 PolarHBondContact O-N 2.9Å; L376-E380 PolarHBondContact O-N 2.95Å
377S55.7Low47.4Very low37 Ų3765.6 Ų65.626%0.25935%0.348SS..Hα-helixtrans-73.6-15.5174.8770000114.7R373 L374 Q375 N381R373-S377 WeakPolarHBondContact O-CB 3.39Å; R373-S377 PolarHBondContact O-N 3.24Å; R373-S377 PolarHBondContact O-OG 3.24Å; L374-S377 CarbonylContact O-C 3.6Å; L374-S377 PolarHBondContact O-N 3.27Å; L374-S377 PolarHBondContact O-OG 2.86Å; Q375-S377 PolarHBondContact O-N 3.5Å; S377-N381 PolarHBondContact O-ND2 3.13Å
378S54.9Low46.3Very low17 Ų1768.3 Ų68.312%0.11937%0.367CS..Hα-helixtrans-69.1-46.8167.3-55.50000110.3E112 L374 Q375 L376 N381 S382E112-S378 VanDerWaalsContact OE1-CB 3.24Å; E112-S378 WeakPolarHBondContact OE1-CB 3.43Å; E112-S378 PolarHBondContact OE1-OG 3.37Å; L374-S378 PolarHBondContact O-N 3.09Å; L374-S378 PolarHBondContact O-OG 2.69Å; Q375-S378 WeakPolarHBondContact O-CA 3.43Å; Q375-S378 WeakPolarHBondContact O-CB 3.35Å; Q375-S378 PolarHBondContact O-N 3Å; L376-S378 VanDerWaalsContact C-N 3.32Å; L376-S378 PolarHBondContact O-N 2.91Å; S378-N381 PolarHBondContact O-N 3.27Å; S378-S382 PolarHBondContact O-N 2.77Å
379S47.7Very low45Very low21 Ų2172.3 Ų72.315%0.14740%0.397CS..Hα-helixtrans-60.9-54.2-176.2-56.10000111.1Q375 L376 N381 S382 E383Q375-S379 PolarHBondContact O-N 3.16Å; L376-S379 PolarHBondContact O-N 2.9Å; S379-N381 PolarHBondContact O-N 3.37Å; S379-N381 VanDerWaalsContact O-N 3.13Å; S379-S382 PolarHBondContact O-N 2.85Å; S379-S382 PolarHBondContact O-OG 2.96Å; S379-E383 PolarHBondContact O-N 2.87Å
380E43.8Very low43.7Very low121 Ų12178.6 Ų78.657%0.56542%0.424SS*.Hα-helixtrans-51.6-37.2176.9-69.9177.7166.700113.3L376L376-E380 PolarHBondContact O-N 2.95Å
381N38.9Very low42.6Very low111 Ų11180.5 Ų80.559%0.59444%0.439SS*.Hα-helixtrans-82.1-15.2-179.9-79.1-93.4000113.1S377 S378 S379S377-N381 PolarHBondContact O-ND2 3.13Å; S378-N381 PolarHBondContact O-N 3.27Å; S379-N381 PolarHBondContact O-N 3.37Å; S379-N381 VanDerWaalsContact O-N 3.13Å
382S38.8Very low41.4Very low31 Ų3187.5 Ų87.522%0.21748%0.476CS..Hα-helixtrans-89.6-32.1-179.681.20000113.2K111 S378 S379 V384 E385K111-S382 PolarHBondContact NZ-OG 2.7Å; S378-S382 PolarHBondContact O-N 2.77Å; S379-S382 PolarHBondContact O-N 2.85Å; S379-S382 PolarHBondContact O-OG 2.96Å; S382-V384 PolarHBondContact O-N 3.28Å; S382-E385 PolarHBondContact O-N 3.22Å
383E35.1Very low40Very low114 Ų11492 Ų9253%0.53351%0.508SS..Hα-helixtrans-61.3-28.2173.4-67.2164.7-151.400112.1R307 S379R307-E383 IonicContact NH1-OE1 3.84Å; S379-E383 PolarHBondContact O-N 2.87Å
384V34.5Very low38.8Very low107 Ų10790.5 Ų90.565%0.64851%0.513SS*.THydrogen-bonded Turntrans-86.3-16.6-177.5-175.90000113.5S382S382-V384 PolarHBondContact O-N 3.28Å
385E33.4Very low37.3Very low146 Ų14693 Ų9368%0.68254%0.535SS*.THydrogen-bonded Turntrans-94.4-4.2177.5-71.4-164.9164.700113.5S382S382-E385 PolarHBondContact O-N 3.22Å
386E31.6Very low36.1Very low147 Ų147100 Ų10069%0.68758%0.577SS**SBendtrans-97.25.9179.8-68.4-178.1-147.600114.3K111K111-E386 IonicContact NZ-OE1 3.2Å; K111-E386 PolarHBondContact NZ-OE1 2.88Å
387S26.7Very low34.5Very low97 Ų97105.4 Ų105.468%0.67861%0.606SS**SBendtrans-124.419.8-17885.40000116.5
388T27.2Very low33.4Very low112 Ų112108.5 Ų108.569%0.68763%0.628SS**  trans-158.8136.4165.946.70000109.2
389C26.3Very low32.1Very low113 Ų113112.9 Ų112.976%0.76465%0.654SS**  cis-161.4138.9-1.946.90000110.2
390D25.1Very low31Very low157 Ų157117.8 Ų117.884%0.8468%0.683SS**  trans-74.8171.7156.3-77.5-59000110.9
391S29.6Very low30.4Very low99 Ų99119 Ų11969%0.69270%0.699SS**  trans64.4120.6177.7-880000115.3
392D31.1Very low29.8Very low147 Ų147120.5 Ų120.579%0.78671%0.707SS**  cis-163.2173.422.3-77.6-39.1000110.3
393S26.8Very low29.5Very low96 Ų96125 Ų12567%0.67174%0.738SS**  trans-73.5157.5163.954.90000110.9
394D30.6Very low29.3Very low148 Ų148127.4 Ų127.479%0.79175%0.75SS**  -172.5179.365.4-112.2-59.6000114.4
395S27.5Very low29.3Very low101 Ų101131.7 Ų131.771%0.70676%0.763SS**  trans-71.2149-178.6630000115.5
396V34.7Very low29Very low148 Ų148130.9 Ų130.990%0.89776%0.763SS**  trans-149.3139.1131.7-104.20000110.8
397D25.4Very low29.1Very low144 Ų144131.9 Ų131.977%0.7777%0.773SS**  trans-100.1150.1172.6177.923.6000110
398S32Very low29.3Very low102 Ų102134.7 Ų134.771%0.71378%0.776SS**  trans-172.791.616212.20000113.1
399T26.7Very low29.7Very low109 Ų109135.4 Ų135.467%0.66979%0.785SS**  trans35.9110.4131.457.80000120.5
400T25.5Very low29.9Very low124 Ų124137.6 Ų137.676%0.76178%0.784SS**  52.7119.3117.5-44.90000120.4
401T30.4Very low30.4Very low145 Ų145137.6 Ų137.689%0.8978%0.782SS**  trans-149.4131.9138-24.20000111
402N26Very low30.5Very low143 Ų143140.4 Ų140.477%0.76579%0.785SS**  trans-78.2154.4173.8-89.9-18.1000111.3
403S34.3Very low30.8Very low125 Ų125139 Ų13987%0.87479%0.786SS**  trans-146.8130.5149.1-730000108
404Q29.9Very low31Very low165 Ų165140.3 Ų140.377%0.77179%0.786SS**  trans-89.3154.9-172.6-59.6156.1-83.900110.5
405E34.8Very low31.3Very low197 Ų197136 Ų13692%0.92178%0.777SS**  trans-151.2135.2133.3-116.7162.4-154.500108.5
406N27.7Very low31.6Very low130 Ų130138.8 Ų138.870%0.69578%0.776SS**  trans-89.7156.8-178.3-69.6-33.2000110.1
407D33.8Very low31.5Very low168 Ų168136.6 Ų136.690%0.89877%0.767SS**  -147.5152.3128.1-132.1-25.6000111.1
408Q30.7Very low31.9Very low156 Ų156136.9 Ų136.973%0.72977%0.769SS**  trans-109.9145.7-162.7-66.8179.4-46.500114.6
409S35.6Very low31.8Very low126 Ų126136.4 Ų136.488%0.88177%0.765SS**  trans-154.4144.9144-27.80000109.5
410Q30.8Very low32Very low159 Ų159138.6 Ų138.674%0.74377%0.768SS**  trans-105.9179.7-167.8-65.6170-91.200114.3
411I34.9Very low32.2Very low157 Ų157140.4 Ų140.481%0.80577%0.768SS**  trans125.294.2165.5-67.4157.1000108.4
412E31.9Very low32.2Very low158 Ų158139.3 Ų139.374%0.73876%0.755SS**  66.6135.666.4-63-174.5-177.700113.9
413S36Very low32.4Very low117 Ų117139 Ų13982%0.81875%0.754SS**  cis-158.8-176.7-961.10000108.2
414D32.7Very low32.2Very low125 Ų125140.8 Ų140.867%0.66875%0.748SS**  cis-150.5169.9-0.6176.3-146.6000107.6K416D414-K416 IonicContact OD1-NZ 3.4Å; D414-K416 PolarHBondContact OD1-NZ 3.2Å; D414-K416 IonicContact OD2-NZ 3.82Å; D414-K416 PolarHBondContact OD2-NZ 2.9Å
415G36.1Very low32.4Very low58 Ų58140.5 Ų140.560%0.59875%0.751SS**  trans115.9107.3167.600000113.7
416K34.1Very low32.2Very low159 Ų159139 Ų13969%0.69174%0.742SS**  66.4134.356.7-57.5172.2-177.7137.20112.7D414D414-K416 IonicContact OD1-NZ 3.4Å; D414-K416 PolarHBondContact OD1-NZ 3.2Å; D414-K416 IonicContact OD2-NZ 3.82Å; D414-K416 PolarHBondContact OD2-NZ 2.9Å
417S33.2Very low32.4Very low102 Ų102139.3 Ų139.371%0.71374%0.743SS**  cis-170.4150.3-243.30000111.9
418D33.1Very low32.5Very low150 Ų150138.9 Ų138.980%0.80274%0.741SS**  cis-156.8-64-19-88.5-39.6000112.1
419S29.2Very low32.7Very low91 Ų91140.4 Ų140.464%0.63675%0.746SS**  trans-141.3-177.7-165.562.20000113.4
420E31.8Very low32.8Very low155 Ų155143.1 Ų143.172%0.72474%0.741SS**  cis-161.2153.718.9-137.2140.7-99.400111.3
421E28.7Very low33Very low162 Ų162140.8 Ų140.876%0.75773%0.734SS**  trans30.6155.4131.8-61.7-157150.400123.2
422I30.3Very low33.1Very low123 Ų123140.3 Ų140.363%0.63173%0.731SS**  cis-166.5173.10.1-119.2176.2000112.7
423N31.6Very low33.3Very low137 Ų137139.3 Ų139.373%0.73374%0.736SS**  trans80.6115155.6-90.6-29.3000124.4
424H29.7Very low33Very low162 Ų162138.9 Ų138.975%0.7573%0.733SS**  trans-4.1144.2133.8-67.7-49.7000121.6
425N33.6Very low33.1Very low158 Ų158139.9 Ų139.985%0.84574%0.744SS**  -153.1175.4108.7-131.5-44000114.7
426K31.8Very low33.2Very low165 Ų165146 Ų14672%0.71776%0.757SS**  trans-111.1175.2-164.8-63.7176.1177173.30115.3
427N31.6Very low32.9Very low137 Ų137142.1 Ų142.173%0.73376%0.761SS**  trans91.8137.4160.1-47.3-48.1000114.9
428N35.5Very low32.9Very low159 Ų159143.7 Ų143.785%0.8577%0.767SS**  cis-145.2177.346.4-105.3-49.7000116.8
429K33.5Very low32.9Very low189 Ų189143.8 Ų143.882%0.82276%0.763SS**  trans-91.1175.5-173.3-62175.3174.2178.70114.9
430K37.8Very low33.4Very low182 Ų182146.5 Ų146.579%0.79177%0.769SS**  trans122.5140.6145.7-69.8-169.8165.4-158.10114.2
431D37Very low33.5Very low111 Ų111147 Ų14759%0.59477%0.768SS**  cis-150.4137.9-9.2-89.4-32.1000108.1
432I35.4Very low34Very low146 Ų146145.4 Ų145.475%0.74977%0.77SS**  53.2112.4104.5-49.3172.4000113.7
433T36.1Very low34.6Very low137 Ų137148.6 Ų148.684%0.8478%0.779SS**  -154.8159.577.932.30000116.8
434S29.4Very low35.1Very low108 Ų108148 Ų14876%0.75578%0.783SS**  trans-63.5150.9179.552.50000120
435V36.8Very low36Very low146 Ų146146.5 Ų146.589%0.88579%0.785SS**  trans-136.2153.8139.5179.80000109.5
436Q36.3Very low37Very low188 Ų188147 Ų14788%0.87979%0.787SS**  trans-71.9151.4-168.8-63.5148.7-14.800114.5
437G29.4Very low38.4Very low76 Ų76144.2 Ų144.278%0.78478%0.779SS**  trans-95.7166.5172.600000113.9
438T32.6Very low40.5Very low135 Ų135141 Ų14183%0.82876%0.764SS**  trans-133.3133175.644.50000111.5I440T438-I440 PolarHBondContact O-N 2.69Å
439E32Very low42.5Very low153 Ų153138 Ų13872%0.71575%0.751SS**  trans-83.8107.6179.6-66.3-175163.200111.8K441E439-K441 PolarHBondContact O-N 3.06Å; E439-K441 WeakPolarHBondContact OE2-CE 3.32Å; E439-K441 IonicContact OE2-NZ 2.77Å; E439-K441 PolarHBondContact OE2-NZ 3.08Å
440I40.5Very low44.4Very low148 Ų148135.8 Ų135.876%0.75974%0.744SS**  trans-88.798.1170.7-58.5-178.5000109.7T438 T442T438-I440 PolarHBondContact O-N 2.69Å; I440-T442 PolarHBondContact O-N 2.97Å; I440-T442 VanDerWaalsContact O-N 3.15Å
441K34.1Very low46.1Very low164 Ų164132.1 Ų132.171%0.71373%0.73SS**  trans-78.591.8177.1-74169.8178.9148.60111.2E439 K443E439-K441 PolarHBondContact O-N 3.06Å; E439-K441 WeakPolarHBondContact OE2-CE 3.32Å; E439-K441 IonicContact OE2-NZ 2.77Å; E439-K441 PolarHBondContact OE2-NZ 3.08Å; K441-K443 PolarHBondContact O-N 2.84Å
442T39.5Very low48Very low129 Ų129130.8 Ų130.879%0.79172%0.722SS**PPolyproline II helixtrans-66.5117.7173.547.40000111I440I440-T442 PolarHBondContact O-N 2.97Å; I440-T442 VanDerWaalsContact O-N 3.15Å
443K42.2Very low50.1Low191 Ų191131.1 Ų131.183%0.8371%0.713SS**PPolyproline II helixtrans-79.9139.5171.1-67.4179.6-179.41760109.3K441 T445K441-K443 PolarHBondContact O-N 2.84Å; K443-T445 PolarHBondContact O-N 3.12Å
444P41.6Very low52.1Low125 Ų125127 Ų12781%0.81269%0.685SS**PPolyproline II helixtrans-69.1117.8176.328.4-33.5000110.2
445T50Low54.4Low129 Ų129130.3 Ų130.379%0.79168%0.681SS**PPolyproline II helixtrans-73.4125.8170.741.40000109.8K443 I447K443-T445 PolarHBondContact O-N 3.12Å; T445-I447 PolarHBondContact O-N 2.86Å
446L54.6Low56.5Low168 Ų168127.6 Ų127.688%0.8866%0.661SS**  trans-68.9100.9175.9-84.5153.2000109.5T448L446-T448 PolarHBondContact O-N 2.69Å
447I61.4Low58.8Low107 Ų107125.9 Ų125.955%0.54965%0.647SS.*  trans-57125175.3-51.7175.4000108.7T445 E451 I452T445-I447 PolarHBondContact O-N 2.86Å; I447-E451 HydrophobicContact CG2-CB 3.89Å; I447-I452 HydrophobicContact CG2-CD1 4.38Å; I447-I452 HydrophobicContact CG2-CG1 3.85Å
448T74.4Confident61.1Low71 Ų71130.5 Ų130.544%0.43664%0.64SS.*  trans-70.3152.1-177.164.50000111.7L446 E450 E451 I452L446-T448 PolarHBondContact O-N 2.69Å; T448-E450 PolarHBondContact O-N 2.74Å; T448-E450 VanDerWaalsContact O-N 3.14Å; T448-E451 WeakPolarHBondContact CB-OE2 3.48Å; T448-E451 WeakPolarHBondContact CG2-OE2 3.41Å; T448-E451 PolarHBondContact N-OE2 2.9Å; T448-E451 PolarHBondContact O-N 3.45Å; T448-E451 WeakPolarHBondContact OG1-CB 3.31Å; T448-E451 VanDerWaalsContact OG1-CG 3.24Å; T448-E451 WeakPolarHBondContact OG1-CG 3.47Å; T448-E451 PolarHBondContact OG1-N 2.88Å; T448-E451 VanDerWaalsContact OG1-N 3.11Å; T448-E451 PolarHBondContact OG1-OE2 3.1Å; T448-I452 WeakPolarHBondContact O-CG1 3.3Å; T448-I452 PolarHBondContact O-N 2.77Å; T448-I452 VanDerWaalsContact O-N 3.07Å
449V77.6Confident63.4Low95 Ų95127.9 Ų127.958%0.57662%0.619SS**Hα-helixtrans-59.7-25.9175.2178.80000111.4R453V449-R453 WeakPolarHBondContact O-CD 3.29Å; V449-R453 VanDerWaalsContact O-CG 3.23Å; V449-R453 WeakPolarHBondContact O-CG 3.45Å; V449-R453 PolarHBondContact O-N 3.27Å
450E73.4Confident65.9Low143 Ų143129.4 Ų129.467%0.66862%0.618SS**Hα-helixtrans-80.3-38.8178.1-61.2-162.5115.600113T448 I452 R453 E454T448-E450 PolarHBondContact O-N 2.74Å; T448-E450 VanDerWaalsContact O-N 3.14Å; E450-I452 VanDerWaalsContact C-N 3.29Å; E450-I452 PolarHBondContact O-N 3.23Å; E450-R453 WeakPolarHBondContact O-CB 3.27Å; E450-R453 PolarHBondContact O-N 2.9Å; E450-R453 VanDerWaalsContact O-N 3.16Å; E450-E454 WeakPolarHBondContact O-CB 3.37Å; E450-E454 PolarHBondContact O-N 3.05Å
451E74.5Confident67.9Low105 Ų105130.9 Ų130.949%0.49161%0.614SS.*Hα-helixtrans-59.3-40.6167.7-74.5165.4106.600111.7I447 T448 E454 R455I447-E451 HydrophobicContact CG2-CB 3.89Å; T448-E451 WeakPolarHBondContact CB-OE2 3.48Å; T448-E451 WeakPolarHBondContact CG2-OE2 3.41Å; T448-E451 PolarHBondContact N-OE2 2.9Å; T448-E451 PolarHBondContact O-N 3.45Å; T448-E451 WeakPolarHBondContact OG1-CB 3.31Å; T448-E451 VanDerWaalsContact OG1-CG 3.24Å; T448-E451 WeakPolarHBondContact OG1-CG 3.47Å; T448-E451 PolarHBondContact OG1-N 2.88Å; T448-E451 VanDerWaalsContact OG1-N 3.11Å; T448-E451 PolarHBondContact OG1-OE2 3.1Å; E451-E454 PolarHBondContact O-N 3.41Å; E451-R455 WeakPolarHBondContact O-CB 3.37Å; E451-R455 PolarHBondContact O-N 2.92Å
452I76.4Confident70.1Confident83 Ų83131 Ų13143%0.42661%0.61SS.*Hα-helixtrans-62.7-43174.8-65.1169.8000110.5I447 T448 E450 N456I447-I452 HydrophobicContact CG2-CD1 4.38Å; I447-I452 HydrophobicContact CG2-CG1 3.85Å; T448-I452 WeakPolarHBondContact O-CG1 3.3Å; T448-I452 PolarHBondContact O-N 2.77Å; T448-I452 VanDerWaalsContact O-N 3.07Å; E450-I452 VanDerWaalsContact C-N 3.29Å; E450-I452 PolarHBondContact O-N 3.23Å; I452-N456 WeakPolarHBondContact O-CB 3.44Å; I452-N456 PolarHBondContact O-N 3.39Å; I452-N456 PolarHBondContact O-ND2 3.1Å
453R79.6Confident72.2Confident152 Ų152129.4 Ų129.457%0.57459%0.593SS**Hα-helixtrans-64.3-42.2176-75.8165.9175.2-176-0.5112.2V449 E450 N456 R457V449-R453 WeakPolarHBondContact O-CD 3.29Å; V449-R453 VanDerWaalsContact O-CG 3.23Å; V449-R453 WeakPolarHBondContact O-CG 3.45Å; V449-R453 PolarHBondContact O-N 3.27Å; E450-R453 WeakPolarHBondContact O-CB 3.27Å; E450-R453 PolarHBondContact O-N 2.9Å; E450-R453 VanDerWaalsContact O-N 3.16Å; R453-N456 PolarHBondContact O-N 3.44Å; R453-R457 WeakPolarHBondContact O-CG 3.48Å; R453-R457 PolarHBondContact O-N 2.91Å
454E78Confident74.3Confident52 Ų52128 Ų12824%0.24359%0.588CS.*Hα-helixtrans-75.8-37.2-177.3-164.152.9-137.400112.1E450 E451 N456 R457 R458E450-E454 WeakPolarHBondContact O-CB 3.37Å; E450-E454 PolarHBondContact O-N 3.05Å; E451-E454 PolarHBondContact O-N 3.41Å; E454-N456 VanDerWaalsContact C-N 3.33Å; E454-N456 PolarHBondContact O-N 3.07Å; E454-R457 WeakPolarHBondContact O-CB 3.45Å; E454-R457 PolarHBondContact O-N 3.4Å; E454-R457 VanDerWaalsContact O-N 3.15Å; E454-R457 WeakPolarHBondContact OE2-CD 3.44Å; E454-R457 IonicContact OE2-CZ 2.85Å; E454-R457 IonicContact OE2-NE 3.75Å; E454-R457 IonicContact OE2-NH1 2.72Å; E454-R457 PolarHBondContact OE2-NH1 2.89Å; E454-R458 WeakPolarHBondContact O-CG 3.45Å; E454-R458 PolarHBondContact O-N 3.43Å
455R77.2Confident76.1Confident177 Ų177127.5 Ų127.567%0.66857%0.574SS**Hα-helixtrans-57.7-45.8167.9-173.1172.7-178.4160.50.9111E451 R457 R458 E459E451-R455 WeakPolarHBondContact O-CB 3.37Å; E451-R455 PolarHBondContact O-N 2.92Å; R455-R457 VanDerWaalsContact C-N 3.34Å; R455-R457 PolarHBondContact O-N 2.99Å; R455-R458 PolarHBondContact O-N 3.08Å; R455-E459 WeakPolarHBondContact O-CB 3.35Å; R455-E459 PolarHBondContact O-N 3.41Å
456N81.3Confident77.7Confident88 Ų88124.6 Ų124.647%0.47156%0.556SS.*Hα-helixtrans-63.8-33.8174.8-83.8-64.7000113.5I452 R453 E454 R460I452-N456 WeakPolarHBondContact O-CB 3.44Å; I452-N456 PolarHBondContact O-N 3.39Å; I452-N456 PolarHBondContact O-ND2 3.1Å; R453-N456 PolarHBondContact O-N 3.44Å; E454-N456 VanDerWaalsContact C-N 3.33Å; E454-N456 PolarHBondContact O-N 3.07Å; N456-R460 WeakPolarHBondContact O-CB 3.25Å; N456-R460 VanDerWaalsContact O-CG 3.29Å; N456-R460 WeakPolarHBondContact O-CG 3.47Å; N456-R460 PolarHBondContact O-N 2.91Å
457R83.5Confident79.2Confident153 Ų153119.7 Ų119.758%0.57753%0.531SS*.Hα-helixtrans-66.6-44.6171.9-76.7164.5165.7179.4-0.9111.7R453 E454 R455 R460 R461R453-R457 WeakPolarHBondContact O-CG 3.48Å; R453-R457 PolarHBondContact O-N 2.91Å; E454-R457 WeakPolarHBondContact O-CB 3.45Å; E454-R457 PolarHBondContact O-N 3.4Å; E454-R457 VanDerWaalsContact O-N 3.15Å; E454-R457 WeakPolarHBondContact OE2-CD 3.44Å; E454-R457 IonicContact OE2-CZ 2.85Å; E454-R457 IonicContact OE2-NE 3.75Å; E454-R457 IonicContact OE2-NH1 2.72Å; E454-R457 PolarHBondContact OE2-NH1 2.89Å; R455-R457 VanDerWaalsContact C-N 3.34Å; R455-R457 PolarHBondContact O-N 2.99Å; R457-R460 PolarHBondContact O-N 3.29Å; R457-R461 WeakPolarHBondContact O-CG 3.41Å; R457-R461 PolarHBondContact O-N 3.18Å
458R79.3Confident80.3Confident172 Ų172120 Ų12065%0.64953%0.528SS*.Hα-helixtrans-60.9-45.9175.5-67.8172.5-171.7-167.52.3111.2E454 R455 R460 R461 R462E454-R458 WeakPolarHBondContact O-CG 3.45Å; E454-R458 PolarHBondContact O-N 3.43Å; R455-R458 PolarHBondContact O-N 3.08Å; R458-R460 PolarHBondContact O-N 3.04Å; R458-R461 PolarHBondContact O-N 3.04Å; R458-R462 PolarHBondContact O-N 3.02Å
459E80.6Confident80.6Confident80 Ų80120.2 Ų120.237%0.37453%0.527SS..Hα-helixtrans-59.3-47.4176.2-156.570.6-103.800111.8R455 R461 R462 Q463R455-E459 WeakPolarHBondContact O-CB 3.35Å; R455-E459 PolarHBondContact O-N 3.41Å; E459-R461 PolarHBondContact O-N 3.47Å; E459-R462 WeakPolarHBondContact O-CB 3.48Å; E459-R462 PolarHBondContact O-N 2.84Å; E459-R462 IonicContact OE1-CZ 2.68Å; E459-R462 VanDerWaalsContact OE1-CZ 3.26Å; E459-R462 IonicContact OE1-NE 2.75Å; E459-R462 PolarHBondContact OE1-NE 3.4Å; E459-R462 IonicContact OE1-NH2 3.55Å; E459-R462 PolarHBondContact OE1-NH2 3.28Å; E459-Q463 PolarHBondContact O-N 3.21Å
460R83.6Confident80.8Confident185 Ų185122.2 Ų122.270%0.69852%0.524SS*.Hα-helixtrans-63.3-36.3176.4-74.9176.2178.2-163.6-0.3113.1N456 R457 R458 K464N456-R460 WeakPolarHBondContact O-CB 3.25Å; N456-R460 VanDerWaalsContact O-CG 3.29Å; N456-R460 WeakPolarHBondContact O-CG 3.47Å; N456-R460 PolarHBondContact O-N 2.91Å; R457-R460 PolarHBondContact O-N 3.29Å; R458-R460 PolarHBondContact O-N 3.04Å; R460-K464 WeakPolarHBondContact O-CG 3.38Å; R460-K464 PolarHBondContact O-N 2.7Å; R460-K464 VanDerWaalsContact O-N 3.14Å
461R82.4Confident81.4Confident179 Ų179121.8 Ų121.868%0.67552%0.522SS*.Hα-helixtrans-65-46.3172.7-75.1176.8177.2172.40.5110.8R457 R458 E459 Q463 K464 Q465R457-R461 WeakPolarHBondContact O-CG 3.41Å; R457-R461 PolarHBondContact O-N 3.18Å; R458-R461 PolarHBondContact O-N 3.04Å; E459-R461 PolarHBondContact O-N 3.47Å; R461-Q463 PolarHBondContact O-N 2.75Å; R461-K464 PolarHBondContact O-N 2.99Å; R461-Q465 PolarHBondContact O-N 3.13Å; R461-Q465 VanDerWaalsContact O-N 3.1Å
462R80.6Confident81.7Confident166 Ų166120 Ų12063%0.62652%0.515SS*.Hα-helixtrans-58.8-47176.8-170.2172.475.6131.4-2.5111.7R458 E459 Q465 V466R458-R462 PolarHBondContact O-N 3.02Å; E459-R462 WeakPolarHBondContact O-CB 3.48Å; E459-R462 PolarHBondContact O-N 2.84Å; E459-R462 IonicContact OE1-CZ 2.68Å; E459-R462 VanDerWaalsContact OE1-CZ 3.26Å; E459-R462 IonicContact OE1-NE 2.75Å; E459-R462 PolarHBondContact OE1-NE 3.4Å; E459-R462 IonicContact OE1-NH2 3.55Å; E459-R462 PolarHBondContact OE1-NH2 3.28Å; R462-Q465 PolarHBondContact O-N 2.91Å; R462-V466 WeakPolarHBondContact O-CG2 3.44Å; R462-V466 PolarHBondContact O-N 3.49Å
463Q83.2Confident82Confident96 Ų96120.7 Ų120.745%0.44952%0.515SS..Hα-helixtrans-62.5-46.5179.3-173.95737.200112.3E459 R461 Q465 V466 D467E459-Q463 PolarHBondContact O-N 3.21Å; R461-Q463 PolarHBondContact O-N 2.75Å; Q463-Q465 VanDerWaalsContact C-N 3.26Å; Q463-Q465 PolarHBondContact O-N 3.47Å; Q463-V466 PolarHBondContact O-N 3.49Å; Q463-V466 VanDerWaalsContact O-N 3.09Å; Q463-D467 PolarHBondContact NE2-OD1 2.96Å; Q463-D467 PolarHBondContact NE2-OD2 3.08Å; Q463-D467 PolarHBondContact O-N 2.91Å
464K86.1Confident82.1Confident163 Ų163122.3 Ų122.371%0.70952%0.521SS*.Hα-helixtrans-56-40.7174.5-77.4-175.4175.1-169.40112.2R460 R461 D467 F468R460-K464 WeakPolarHBondContact O-CG 3.38Å; R460-K464 PolarHBondContact O-N 2.7Å; R460-K464 VanDerWaalsContact O-N 3.14Å; R461-K464 PolarHBondContact O-N 2.99Å; K464-D467 PolarHBondContact O-N 3.32Å; K464-F468 WeakPolarHBondContact O-CB 3.39Å; K464-F468 PolarHBondContact O-N 2.88Å
465Q80.7Confident82.4Confident114 Ų114126 Ų12653%0.53354%0.538SS..Hα-helixtrans-68.6-36.4177.6-166.764.61.900112.4R461 R462 Q463 N469R461-Q465 PolarHBondContact O-N 3.13Å; R461-Q465 VanDerWaalsContact O-N 3.1Å; R462-Q465 PolarHBondContact O-N 2.91Å; Q463-Q465 VanDerWaalsContact C-N 3.26Å; Q463-Q465 PolarHBondContact O-N 3.47Å; Q465-N469 WeakPolarHBondContact O-CB 3.25Å; Q465-N469 PolarHBondContact O-N 2.89Å; Q465-N469 VanDerWaalsContact O-N 3.13Å; Q465-N469 PolarHBondContact O-ND2 3.08Å
466V83.8Confident82.5Confident68 Ų68119.8 Ų119.841%0.41252%0.518SS..Hα-helixtrans-64.8-45.6173.8169.60000111.2R462 Q463 N469 R470R462-V466 WeakPolarHBondContact O-CG2 3.44Å; R462-V466 PolarHBondContact O-N 3.49Å; Q463-V466 PolarHBondContact O-N 3.49Å; Q463-V466 VanDerWaalsContact O-N 3.09Å; V466-N469 PolarHBondContact O-N 3.47Å; V466-R470 WeakPolarHBondContact O-CB 3.41Å; V466-R470 PolarHBondContact O-N 3.24Å
467D85.5Confident82.5Confident65 Ų65123.3 Ų123.335%0.34853%0.525SS..Hα-helixtrans-70.7-36.6-178.9-72.1-42.6000112.8Q463 K464 R470 Q471Q463-D467 PolarHBondContact NE2-OD1 2.96Å; Q463-D467 PolarHBondContact NE2-OD2 3.08Å; Q463-D467 PolarHBondContact O-N 2.91Å; K464-D467 PolarHBondContact O-N 3.32Å; D467-R470 CarbonylContact O-C 3.56Å; D467-R470 WeakPolarHBondContact O-CB 3.48Å; D467-R470 PolarHBondContact O-N 3.32Å; D467-R470 IonicContact OD1-NH1 3.88Å; D467-R470 PolarHBondContact OD1-NH1 2.81Å; D467-Q471 WeakPolarHBondContact O-CB 3.44Å; D467-Q471 PolarHBondContact O-N 2.87Å
468F83.9Confident82.5Confident112 Ų112118.9 Ų118.949%0.49152%0.521SS..Hα-helixtrans-59.5-47.6170.8179.1-110.6000111.8K464 R470 Q471 I472K464-F468 WeakPolarHBondContact O-CB 3.39Å; K464-F468 PolarHBondContact O-N 2.88Å; F468-R470 VanDerWaalsContact C-N 3.31Å; F468-R470 PolarHBondContact O-N 3.15Å; F468-Q471 WeakPolarHBondContact O-CB 3.42Å; F468-Q471 PolarHBondContact O-N 3.36Å; F468-Q471 VanDerWaalsContact O-N 3.16Å; F468-I472 HydrophobicContact CD1-CD1 4Å; F468-I472 HydrophobicContact CE1-CD1 3.54Å; F468-I472 HydrophobicContact CE2-CD1 4.33Å; F468-I472 HydrophobicContact CZ-CD1 3.73Å; F468-I472 PolarHBondContact O-N 3.24Å
469N81.4Confident82.7Confident77 Ų77112.9 Ų112.941%0.41251%0.508SS..Hα-helixtrans-61.5-38.5174.3-80.7-63.6000112.3Q465 V466 Q471 I472 K473Q465-N469 WeakPolarHBondContact O-CB 3.25Å; Q465-N469 PolarHBondContact O-N 2.89Å; Q465-N469 VanDerWaalsContact O-N 3.13Å; Q465-N469 PolarHBondContact O-ND2 3.08Å; V466-N469 PolarHBondContact O-N 3.47Å; N469-Q471 VanDerWaalsContact C-N 3.34Å; N469-I472 PolarHBondContact O-N 2.97Å; N469-K473 WeakPolarHBondContact O-CG 3.42Å; N469-K473 PolarHBondContact O-N 3.41Å
470R82.3Confident82.8Confident137 Ų137113.3 Ų113.352%0.51751%0.512SS..Hα-helixtrans-65.1-36.4174.9-178.2-178.6-85.3174.3-12.1111.7V466 D467 F468 R474V466-R470 WeakPolarHBondContact O-CB 3.41Å; V466-R470 PolarHBondContact O-N 3.24Å; D467-R470 CarbonylContact O-C 3.56Å; D467-R470 WeakPolarHBondContact O-CB 3.48Å; D467-R470 PolarHBondContact O-N 3.32Å; D467-R470 IonicContact OD1-NH1 3.88Å; D467-R470 PolarHBondContact OD1-NH1 2.81Å; F468-R470 VanDerWaalsContact C-N 3.31Å; F468-R470 PolarHBondContact O-N 3.15Å; R470-R474 WeakPolarHBondContact O-CG 3.42Å; R470-R474 PolarHBondContact O-N 3.33Å
471Q84.9Confident82.8Confident134 Ų134112 Ų11263%0.62651%0.511SS*.Hα-helixtrans-68.4-44.5175.5-169.8173.44.100111.9D467 F468 N469 K473 R474 H475D467-Q471 WeakPolarHBondContact O-CB 3.44Å; D467-Q471 PolarHBondContact O-N 2.87Å; F468-Q471 WeakPolarHBondContact O-CB 3.42Å; F468-Q471 PolarHBondContact O-N 3.36Å; F468-Q471 VanDerWaalsContact O-N 3.16Å; N469-Q471 VanDerWaalsContact C-N 3.34Å; Q471-K473 PolarHBondContact O-N 2.88Å; Q471-R474 WeakPolarHBondContact O-CB 3.28Å; Q471-R474 PolarHBondContact O-N 2.94Å; Q471-H475 PolarHBondContact O-N 3.18Å
472I81.8Confident82.8Confident67 Ų67112.4 Ų112.434%0.34451%0.513SS..Hα-helixtrans-58.3-47.6173.1-68.3170.6000110.8F468 N469 R474 H475 N476F468-I472 HydrophobicContact CD1-CD1 4Å; F468-I472 HydrophobicContact CE1-CD1 3.54Å; F468-I472 HydrophobicContact CE2-CD1 4.33Å; F468-I472 HydrophobicContact CZ-CD1 3.73Å; F468-I472 PolarHBondContact O-N 3.24Å; N469-I472 PolarHBondContact O-N 2.97Å; I472-R474 VanDerWaalsContact C-N 3.29Å; I472-R474 PolarHBondContact O-N 3.32Å; I472-H475 PolarHBondContact O-N 3.42Å; I472-H475 VanDerWaalsContact O-N 3.14Å; I472-N476 PolarHBondContact O-N 3.27Å; I472-N476 PolarHBondContact O-OD1 3.4Å
473K82.4Confident82.8Confident97 Ų97109.1 Ų109.142%0.42251%0.505SS..Hα-helixtrans-60.9-34.9177.2-72-169.8175-167.80112.8Y166 N469 Q471 R477Y166-K473 HydrophobicContact CD1-CG 4.16Å; Y166-K473 HydrophobicContact CE1-CB 4.17Å; Y166-K473 HydrophobicContact CE1-CD 3.94Å; Y166-K473 HydrophobicContact CE1-CG 3.61Å; Y166-K473 HydrophobicContact CE2-CD 4.43Å; N469-K473 WeakPolarHBondContact O-CG 3.42Å; N469-K473 PolarHBondContact O-N 3.41Å; Q471-K473 PolarHBondContact O-N 2.88Å; K473-R477 WeakPolarHBondContact O-CB 3.18Å; K473-R477 VanDerWaalsContact O-CG 3.25Å; K473-R477 WeakPolarHBondContact O-CG 3.46Å; K473-R477 PolarHBondContact O-N 3.03Å
474R82.7Confident82.8Confident186 Ų186106.2 Ų106.270%0.70250%0.501SS*.Hα-helixtrans-67.2-45.4172.2-77.5176.6172.2-176.5-2.8111.8R470 Q471 I472 R477 A478R470-R474 WeakPolarHBondContact O-CG 3.42Å; R470-R474 PolarHBondContact O-N 3.33Å; Q471-R474 WeakPolarHBondContact O-CB 3.28Å; Q471-R474 PolarHBondContact O-N 2.94Å; I472-R474 VanDerWaalsContact C-N 3.29Å; I472-R474 PolarHBondContact O-N 3.32Å; R474-R477 PolarHBondContact O-N 2.86Å; R474-A478 PolarHBondContact O-N 2.9Å
475H83.4Confident82.6Confident131 Ų131107.6 Ų107.661%0.60650%0.501SS*.Hα-helixtrans-62.3-46.9179.7-173-94.8000112.2Q471 I472 R477 A478 A479Q471-H475 PolarHBondContact O-N 3.18Å; I472-H475 PolarHBondContact O-N 3.42Å; I472-H475 VanDerWaalsContact O-N 3.14Å; H475-R477 VanDerWaalsContact C-N 3.35Å; H475-R477 PolarHBondContact O-N 3.11Å; H475-A478 WeakPolarHBondContact O-CB 3.17Å; H475-A478 PolarHBondContact O-N 3.11Å; H475-A478 VanDerWaalsContact O-N 3.08Å; H475-A479 PolarHBondContact O-N 3.09Å
476N79.6Confident82.6Confident46 Ų46106.9 Ų106.925%0.24650%0.501CS..Hα-helixtrans-64.4-38.5179.4-68.514.7000111.8I472 A478 A479 I480I472-N476 PolarHBondContact O-N 3.27Å; I472-N476 PolarHBondContact O-OD1 3.4Å; N476-A478 VanDerWaalsContact C-N 3.31Å; N476-A478 PolarHBondContact O-N 2.96Å; N476-A479 PolarHBondContact O-N 3.33Å; N476-I480 WeakPolarHBondContact O-CG1 3.48Å; N476-I480 PolarHBondContact O-N 3.01Å
477R81.8Confident82.4Confident161 Ų161107.6 Ų107.661%0.60850%0.502SS*.Hα-helixtrans-62.6-35.8172.4-74.6174.5177.4-163.3-1.9112.6K473 R474 H475 K481K473-R477 WeakPolarHBondContact O-CB 3.18Å; K473-R477 VanDerWaalsContact O-CG 3.25Å; K473-R477 WeakPolarHBondContact O-CG 3.46Å; K473-R477 PolarHBondContact O-N 3.03Å; R474-R477 PolarHBondContact O-N 2.86Å; H475-R477 VanDerWaalsContact C-N 3.35Å; H475-R477 PolarHBondContact O-N 3.11Å; R477-K481 WeakPolarHBondContact O-CG 3.44Å; R477-K481 PolarHBondContact O-N 3.1Å
478A83.4Confident82.1Confident60 Ų60110.4 Ų110.450%0.49652%0.515SS..Hα-helixtrans-70.6-40.1174.700000112.2R474 H475 N476 K481 R482R474-A478 PolarHBondContact O-N 2.9Å; H475-A478 WeakPolarHBondContact O-CB 3.17Å; H475-A478 PolarHBondContact O-N 3.11Å; H475-A478 VanDerWaalsContact O-N 3.08Å; N476-A478 VanDerWaalsContact C-N 3.31Å; N476-A478 PolarHBondContact O-N 2.96Å; A478-K481 PolarHBondContact O-N 3.23Å; A478-R482 WeakPolarHBondContact O-CB 3.27Å; A478-R482 PolarHBondContact O-N 3.15Å
479A83.3Confident82.1Confident46 Ų46111.9 Ų111.938%0.3852%0.521SS..Hα-helixtrans-61.3-48.9175.600000111.9H475 N476 K481 R482 Q483H475-A479 PolarHBondContact O-N 3.09Å; N476-A479 PolarHBondContact O-N 3.33Å; A479-K481 VanDerWaalsContact C-N 3.34Å; A479-K481 PolarHBondContact O-N 2.93Å; A479-R482 WeakPolarHBondContact O-CB 3.38Å; A479-R482 PolarHBondContact O-N 3.39Å; A479-Q483 PolarHBondContact O-N 3.28Å
480I81.8Confident81.9Confident89 Ų89111.8 Ų111.846%0.45652%0.524SS..Hα-helixtrans-58.8-44.8176.4-66.5164.7000110.8N476 R482 Q483 G484N476-I480 WeakPolarHBondContact O-CG1 3.48Å; N476-I480 PolarHBondContact O-N 3.01Å; I480-R482 VanDerWaalsContact C-N 3.32Å; I480-R482 PolarHBondContact O-N 2.97Å; I480-Q483 PolarHBondContact O-N 3.24Å; I480-G484 PolarHBondContact O-N 3.19Å
481K84Confident81.7Confident157 Ų157110.5 Ų110.568%0.68352%0.523SS*.Hα-helixtrans-64.3-32.6175.3-75.6-170176.2-166.40113.3R477 A478 A479 R485R477-K481 WeakPolarHBondContact O-CG 3.44Å; R477-K481 PolarHBondContact O-N 3.1Å; A478-K481 PolarHBondContact O-N 3.23Å; A479-K481 VanDerWaalsContact C-N 3.34Å; A479-K481 PolarHBondContact O-N 2.93Å; K481-R485 WeakPolarHBondContact O-CB 3.41Å; K481-R485 VanDerWaalsContact O-CG 3.31Å; K481-R485 WeakPolarHBondContact O-CG 3.49Å; K481-R485 PolarHBondContact O-N 3.04Å
482R82.4Confident81.5Confident189 Ų189107.3 Ų107.371%0.71352%0.52SS*.Hα-helixtrans-70-40.8174.2-173.7178.1-179.3178.10.3111.4A478 A479 I480 R485 L486A478-R482 WeakPolarHBondContact O-CB 3.27Å; A478-R482 PolarHBondContact O-N 3.15Å; A479-R482 WeakPolarHBondContact O-CB 3.38Å; A479-R482 PolarHBondContact O-N 3.39Å; I480-R482 VanDerWaalsContact C-N 3.32Å; I480-R482 PolarHBondContact O-N 2.97Å; R482-R485 PolarHBondContact O-N 2.87Å; R482-L486 HydrophobicContact CG-CD1 4.43Å; R482-L486 WeakPolarHBondContact O-CG 3.31Å; R482-L486 PolarHBondContact O-N 3.04Å
483Q81.1Confident81.3Confident96 Ų96110.1 Ų110.145%0.44954%0.535SS..Hα-helixtrans-68.5-44.8178-168.6167.5-6.700111.7A479 I480 R485 L486 N487A479-Q483 PolarHBondContact O-N 3.28Å; I480-Q483 PolarHBondContact O-N 3.24Å; Q483-R485 VanDerWaalsContact C-N 3.29Å; Q483-R485 PolarHBondContact O-N 3.03Å; Q483-L486 WeakPolarHBondContact O-CB 3.24Å; Q483-L486 PolarHBondContact O-N 3.22Å; Q483-N487 PolarHBondContact O-N 3.08Å; Q483-N487 PolarHBondContact O-OD1 3.37Å; Q483-N487 VanDerWaalsContact O-OD1 3.1Å
484G83.1Confident81Confident35 Ų35111.6 Ų111.636%0.36155%0.546SS..Hα-helixtrans-58.6-37.9173.200000113.4I480 N487 M488I480-G484 PolarHBondContact O-N 3.19Å; G484-N487 PolarHBondContact O-N 3.24Å; G484-M488 PolarHBondContact O-N 3.35Å
485R82.4Confident80.5Confident192 Ų192111.3 Ų111.373%0.72555%0.551SS**Hα-helixtrans-67.8-32.6173-77.1175.2172.7-172.3-4113.6K481 R482 Q483 K489K481-R485 WeakPolarHBondContact O-CB 3.41Å; K481-R485 VanDerWaalsContact O-CG 3.31Å; K481-R485 WeakPolarHBondContact O-CG 3.49Å; K481-R485 PolarHBondContact O-N 3.04Å; R482-R485 PolarHBondContact O-N 2.87Å; Q483-R485 VanDerWaalsContact C-N 3.29Å; Q483-R485 PolarHBondContact O-N 3.03Å; R485-K489 WeakPolarHBondContact O-CB 3.5Å; R485-K489 PolarHBondContact O-N 3.49Å
486L80.5Confident79.1Confident99 Ų99110.5 Ų110.552%0.51858%0.578SS.*Hα-helixtrans-69.8-46.3173.2-76.4163.5000110.6R482 Q483 K489 T490R482-L486 HydrophobicContact CG-CD1 4.43Å; R482-L486 WeakPolarHBondContact O-CG 3.31Å; R482-L486 PolarHBondContact O-N 3.04Å; Q483-L486 WeakPolarHBondContact O-CB 3.24Å; Q483-L486 PolarHBondContact O-N 3.22Å; L486-K489 CarbonylContact O-C 3.57Å; L486-K489 PolarHBondContact O-N 3.31Å; L486-K489 VanDerWaalsContact O-N 3.1Å; L486-T490 PolarHBondContact O-N 3.19Å; L486-T490 PolarHBondContact O-OG1 3.25Å
487N79.8Confident79.1Confident84 Ų84113.8 Ų113.845%0.44959%0.594SS.*Hα-helixtrans-57.5-51.3178-72.127.2000111.9Q483 G484 K489 T490 E491Q483-N487 PolarHBondContact O-N 3.08Å; Q483-N487 PolarHBondContact O-OD1 3.37Å; Q483-N487 VanDerWaalsContact O-OD1 3.1Å; G484-N487 PolarHBondContact O-N 3.24Å; N487-K489 PolarHBondContact O-N 3.01Å; N487-T490 WeakPolarHBondContact CA-OG1 3.29Å; N487-T490 PolarHBondContact O-N 2.84Å; N487-T490 PolarHBondContact O-OG1 2.89Å; N487-E491 WeakPolarHBondContact O-CG 3.49Å; N487-E491 PolarHBondContact O-N 2.68Å
488M79.1Confident79Confident123 Ų123111.3 Ų111.361%0.60659%0.594SS**Hα-helixtrans-61.9-32.6176.4-68.4-166-50.700112.5G484 A492G484-M488 PolarHBondContact O-N 3.35Å; M488-A492 VanDerWaalsContact O-CB 3.24Å; M488-A492 WeakPolarHBondContact O-CB 3.49Å; M488-A492 PolarHBondContact O-N 3.1Å
489K82.3Confident78.7Confident143 Ų143114.1 Ų114.162%0.62260%0.599SS**Hα-helixtrans-71.2-31.6174.7-168.5176-178.4-175.50112.2R485 L486 N487 L493R485-K489 WeakPolarHBondContact O-CB 3.5Å; R485-K489 PolarHBondContact O-N 3.49Å; L486-K489 CarbonylContact O-C 3.57Å; L486-K489 PolarHBondContact O-N 3.31Å; L486-K489 VanDerWaalsContact O-N 3.1Å; N487-K489 PolarHBondContact O-N 3.01Å; K489-L493 HydrophobicContact CG-CD1 4.43Å; K489-L493 WeakPolarHBondContact O-CD1 3.06Å; K489-L493 VanDerWaalsContact O-CG 3.27Å; K489-L493 WeakPolarHBondContact O-CG 3.49Å; K489-L493 PolarHBondContact O-N 2.92Å
490T78.7Confident78.4Confident76 Ų76118.1 Ų118.147%0.46661%0.612SS.*Hα-helixtrans-75.5-36.8172.645.20000112.6L486 N487 L493 L494L486-T490 PolarHBondContact O-N 3.19Å; L486-T490 PolarHBondContact O-OG1 3.25Å; N487-T490 WeakPolarHBondContact CA-OG1 3.29Å; N487-T490 PolarHBondContact O-N 2.84Å; N487-T490 PolarHBondContact O-OG1 2.89Å; T490-L493 PolarHBondContact O-N 3.13Å; T490-L493 VanDerWaalsContact O-N 3.15Å; T490-L494 WeakPolarHBondContact O-CD1 3.44Å; T490-L494 VanDerWaalsContact O-CG 3.29Å; T490-L494 WeakPolarHBondContact O-CG 3.45Å; T490-L494 PolarHBondContact O-N 3.23Å
491E77.4Confident78.2Confident110 Ų110119.9 Ų119.951%0.51462%0.622SS.*Hα-helixtrans-64.3-44.7173.9-71170.3141.100111N487 L493 L494 F495N487-E491 WeakPolarHBondContact O-CG 3.49Å; N487-E491 PolarHBondContact O-N 2.68Å; E491-L493 PolarHBondContact O-N 2.75Å; E491-L493 VanDerWaalsContact O-N 3.1Å; E491-L494 PolarHBondContact O-N 2.72Å; E491-F495 HydrophobicContact CB-CD2 4.49Å; E491-F495 PolarHBondContact O-N 3.4Å
492A79.9Confident77.9Confident66 Ų66117.5 Ų117.555%0.54562%0.618SS.*THydrogen-bonded Turntrans-70.32.5173.500000114.9M488M488-A492 VanDerWaalsContact O-CB 3.24Å; M488-A492 WeakPolarHBondContact O-CB 3.49Å; M488-A492 PolarHBondContact O-N 3.1Å
493L79.4Confident77.5Confident127 Ų127112.4 Ų112.467%0.66561%0.611SS**THydrogen-bonded Turntrans-113.4-2.7169.3-76.3170.3000112.6K489 T490 E491K489-L493 HydrophobicContact CG-CD1 4.43Å; K489-L493 WeakPolarHBondContact O-CD1 3.06Å; K489-L493 VanDerWaalsContact O-CG 3.27Å; K489-L493 WeakPolarHBondContact O-CG 3.49Å; K489-L493 PolarHBondContact O-N 2.92Å; T490-L493 PolarHBondContact O-N 3.13Å; T490-L493 VanDerWaalsContact O-N 3.15Å; E491-L493 PolarHBondContact O-N 2.75Å; E491-L493 VanDerWaalsContact O-N 3.1Å
494L74.3Confident77.3Confident127 Ų127113.6 Ų113.667%0.66562%0.623SS**THydrogen-bonded Turntrans-115.2-24.2179.9-72.6169.5000112.6T490 E491T490-L494 WeakPolarHBondContact O-CD1 3.44Å; T490-L494 VanDerWaalsContact O-CG 3.29Å; T490-L494 WeakPolarHBondContact O-CG 3.45Å; T490-L494 PolarHBondContact O-N 3.23Å; E491-L494 PolarHBondContact O-N 2.72Å
495F72.8Confident76.8Confident181 Ų181120.2 Ų120.279%0.79465%0.645SS**  trans-134.311.6-172.8-55.9-70.2000114E491E491-F495 HydrophobicContact CB-CD2 4.49Å; E491-F495 PolarHBondContact O-N 3.4Å
496G54.9Low76.3Confident114 Ų114113.6 Ų113.6100%1.17564%0.638SS**  trans-140.6017700000111.4

Retrieved 496 of 496 residues in 315.7 ms (Link to these results)

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