C4Q820_SCHMA Loading...

Putative cytochrome C oxidase polypeptide vib

AlphaFold DB , UniProt , Accession C4Q820, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 94 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
1M69.7Low89.5Confident241 Ų24196.1 Ų96.1100%1.18747%0.474SS*.  0128.50-174.9169.2179.900105.9
2I81.5Confident89.9Confident66 Ų6699.6 Ų99.634%0.33848%0.478SS..  trans-62.9136.5179.7-64178.6000107.8E6 F7 W22I2-E6 HydrophobicContact CG2-CB 3.73Å; I2-E6 HydrophobicContact CG2-CG 3.69Å; I2-F7 HydrophobicContact CG2-CB 3.99Å; I2-W22 HydrophobicContact CD1-CE3 3.75Å; I2-W22 HydrophobicContact CD1-CZ3 4.12Å
3S90.2Very high90.3Very high59 Ų59100.9 Ų100.941%0.41348%0.483SS..  trans-68.7159.717671.90000110.9D5 E6 F7S3-D5 VanDerWaalsContact C-N 3.26Å; S3-D5 PolarHBondContact O-N 2.85Å; S3-E6 PolarHBondContact N-OE2 3.08Å; S3-E6 PolarHBondContact O-N 3.15Å; S3-E6 WeakPolarHBondContact OG-CB 3.44Å; S3-E6 PolarHBondContact OG-N 3.39Å; S3-E6 VanDerWaalsContact OG-N 3.1Å; S3-F7 WeakPolarHBondContact O-CB 3.49Å; S3-F7 PolarHBondContact O-N 2.98Å
4Y89.5Confident90.7Very high173 Ų17393.9 Ų93.968%0.67845%0.45SS*.Hα-helixtrans-61.4-37.7177.7178.5-99.4000112.2F7 K8Y4-F7 WeakPolarHBondContact O-CB 3.14Å; Y4-F7 PolarHBondContact O-N 3.37Å; Y4-K8 WeakPolarHBondContact O-CB 3.44Å; Y4-K8 PolarHBondContact O-N 3.26Å
5D94Very high90.9Very high107 Ų10794.4 Ų94.457%0.57246%0.456SS*.Hα-helixtrans-67.5-46.2178.4-63-42.2000111.2S3 F7 K8 D9S3-D5 VanDerWaalsContact C-N 3.26Å; S3-D5 PolarHBondContact O-N 2.85Å; D5-F7 VanDerWaalsContact C-N 3.31Å; D5-F7 PolarHBondContact O-N 2.82Å; D5-K8 WeakPolarHBondContact O-CB 3.37Å; D5-K8 PolarHBondContact O-N 3.38Å; D5-K8 VanDerWaalsContact O-N 3.09Å; D5-D9 PolarHBondContact O-N 3.45Å
6E92.9Very high91Very high90 Ų9098.3 Ų98.342%0.42147%0.473SS..Hα-helixtrans-60.3-40.6174.2-172.9-168.9168.100111.6I2 S3 K8 D9 N10I2-E6 HydrophobicContact CG2-CB 3.73Å; I2-E6 HydrophobicContact CG2-CG 3.69Å; S3-E6 PolarHBondContact N-OE2 3.08Å; S3-E6 PolarHBondContact O-N 3.15Å; S3-E6 WeakPolarHBondContact OG-CB 3.44Å; S3-E6 PolarHBondContact OG-N 3.39Å; S3-E6 VanDerWaalsContact OG-N 3.1Å; E6-K8 VanDerWaalsContact C-N 3.31Å; E6-K8 PolarHBondContact O-N 3.34Å; E6-D9 PolarHBondContact O-N 3.24Å; E6-N10 WeakPolarHBondContact O-CB 3.36Å; E6-N10 PolarHBondContact O-N 3.4Å; E6-N10 PolarHBondContact O-ND2 3.09Å; E6-N10 PolarHBondContact O-OD1 3.39Å
7F91.4Very high91.2Very high81 Ų8196.3 Ų96.336%0.35547%0.468SS..Hα-helixtrans-59.7-43.4174.5174.6-88.8000111.3I2 S3 Y4 D5 C11 W22I2-F7 HydrophobicContact CG2-CB 3.99Å; S3-F7 WeakPolarHBondContact O-CB 3.49Å; S3-F7 PolarHBondContact O-N 2.98Å; Y4-F7 WeakPolarHBondContact O-CB 3.14Å; Y4-F7 PolarHBondContact O-N 3.37Å; D5-F7 VanDerWaalsContact C-N 3.31Å; D5-F7 PolarHBondContact O-N 2.82Å; F7-C11 VanDerWaalsContact CE1-SG 3.51Å; F7-C11 WeakPolarHBondContact O-CB 3.42Å; F7-C11 PolarHBondContact O-N 3.36Å; F7-C11 PolarHBondContact O-SG 2.93Å; F7-W22 AromaticContact CD2-CH2 3.47Å; F7-W22 HydrophobicContact CD2-CH2 3.47Å; F7-W22 VanDerWaalsContact CD2-CH2 3.47Å; F7-W22 AromaticContact CD2-CZ3 3.57Å; F7-W22 HydrophobicContact CD2-CZ3 3.57Å; F7-W22 AromaticContact CE2-CH2 3.56Å; F7-W22 HydrophobicContact CE2-CH2 3.56Å; F7-W22 AromaticContact CE2-CZ3 3.95Å; F7-W22 HydrophobicContact CE2-CZ3 3.95Å; F7-W22 HydrophobicContact CG-CH2 4.2Å; F7-W22 HydrophobicContact CG-CZ3 4.45Å; F7-W22 HydrophobicContact CZ-CH2 4.36Å
8K92.8Very high91.4Very high86 Ų8691.4 Ų91.437%0.37445%0.447SS..Hα-helixtrans-68.1-40.7-178.9-174.3-177178.1-178.50111.9Y4 D5 E6 C11 R12Y4-K8 WeakPolarHBondContact O-CB 3.44Å; Y4-K8 PolarHBondContact O-N 3.26Å; D5-K8 WeakPolarHBondContact O-CB 3.37Å; D5-K8 PolarHBondContact O-N 3.38Å; D5-K8 VanDerWaalsContact O-N 3.09Å; E6-K8 VanDerWaalsContact C-N 3.31Å; E6-K8 PolarHBondContact O-N 3.34Å; K8-C11 WeakPolarHBondContact O-CB 3.32Å; K8-C11 PolarHBondContact O-N 2.99Å; K8-R12 WeakPolarHBondContact O-CG 3.14Å; K8-R12 PolarHBondContact O-N 3.31Å; K8-R12 VanDerWaalsContact O-N 3.17Å
9D95.3Very high91.6Very high84 Ų8490.7 Ų90.745%0.44945%0.445SS..Hα-helixtrans-69.5-44.8179.4-69.6-20.6000110.7D5 E6 C11 R12 E13D5-D9 PolarHBondContact O-N 3.45Å; E6-D9 PolarHBondContact O-N 3.24Å; D9-C11 VanDerWaalsContact C-N 3.3Å; D9-C11 PolarHBondContact O-N 3.39Å; D9-R12 WeakPolarHBondContact O-CB 3.27Å; D9-R12 PolarHBondContact O-N 3.1Å; D9-R12 VanDerWaalsContact O-N 3.08Å; D9-R12 IonicContact OD1-NH1 2.67Å; D9-R12 PolarHBondContact OD1-NH1 3.49Å; D9-E13 PolarHBondContact O-N 2.91Å
10N94.5Very high91.7Very high31 Ų3186.8 Ų86.817%0.16643%0.426CS..Hα-helixtrans-58.8-41.7172.8-65-13000111.5E6 R12 E13 S14 W22E6-N10 WeakPolarHBondContact O-CB 3.36Å; E6-N10 PolarHBondContact O-N 3.4Å; E6-N10 PolarHBondContact O-ND2 3.09Å; E6-N10 PolarHBondContact O-OD1 3.39Å; N10-R12 VanDerWaalsContact C-N 3.3Å; N10-R12 PolarHBondContact O-N 2.91Å; N10-E13 PolarHBondContact O-N 3.28Å; N10-S14 VanDerWaalsContact O-CB 3.31Å; N10-S14 WeakPolarHBondContact O-CB 3.45Å; N10-S14 PolarHBondContact O-N 3.41Å; N10-S14 PolarHBondContact O-OG 2.74Å; N10-W22 HydrophobicContact CB-CD2 3.66Å; N10-W22 HydrophobicContact CB-CE3 4.06Å; N10-W22 HydrophobicContact CB-CG 4.17Å; N10-W22 HydrophobicContact CB-CH2 3.97Å; N10-W22 HydrophobicContact CB-CZ2 3.56Å; N10-W22 HydrophobicContact CB-CZ3 4.21Å
11C93.1Very high91.8Very high39 Ų3989.4 Ų89.426%0.26444%0.437SS..Hα-helixtrans-58.1-41.4175.9-74.70000112.6F7 K8 D9 L15F7-C11 VanDerWaalsContact CE1-SG 3.51Å; F7-C11 WeakPolarHBondContact O-CB 3.42Å; F7-C11 PolarHBondContact O-N 3.36Å; F7-C11 PolarHBondContact O-SG 2.93Å; K8-C11 WeakPolarHBondContact O-CB 3.32Å; K8-C11 PolarHBondContact O-N 2.99Å; D9-C11 VanDerWaalsContact C-N 3.3Å; D9-C11 PolarHBondContact O-N 3.39Å; C11-L15 VanDerWaalsContact O-CG 3.28Å; C11-L15 WeakPolarHBondContact O-CG 3.23Å; C11-L15 PolarHBondContact O-N 2.87Å
12R94.3Very high92.9Very high138 Ų13880.4 Ų80.452%0.52139%0.39SS..Hα-helixtrans-68.4-47.2179.6-72.7165166.4173.2-13111.1K8 D9 N10 S14 L15K8-R12 WeakPolarHBondContact O-CG 3.14Å; K8-R12 PolarHBondContact O-N 3.31Å; K8-R12 VanDerWaalsContact O-N 3.17Å; D9-R12 WeakPolarHBondContact O-CB 3.27Å; D9-R12 PolarHBondContact O-N 3.1Å; D9-R12 VanDerWaalsContact O-N 3.08Å; D9-R12 IonicContact OD1-NH1 2.67Å; D9-R12 PolarHBondContact OD1-NH1 3.49Å; N10-R12 VanDerWaalsContact C-N 3.3Å; N10-R12 PolarHBondContact O-N 2.91Å; R12-S14 VanDerWaalsContact C-N 3.33Å; R12-S14 PolarHBondContact O-N 2.82Å; R12-L15 PolarHBondContact O-N 2.54Å
13E95.4Very high93.4Very high117 Ų11777.6 Ų77.655%0.54738%0.376SS..Hα-helixtrans-60.9-42.5177.7-175.3174.9-176.900111.5D9 N10 L15 E16 T17D9-E13 PolarHBondContact O-N 2.91Å; N10-E13 PolarHBondContact O-N 3.28Å; E13-L15 VanDerWaalsContact C-N 3.32Å; E13-L15 PolarHBondContact O-N 2.83Å; E13-E16 PolarHBondContact O-N 3.42Å; E13-E16 VanDerWaalsContact O-N 3.15Å; E13-T17 HydrophobicContact CG-CG2 3.95Å; E13-T17 WeakPolarHBondContact O-CB 3.42Å; E13-T17 WeakPolarHBondContact O-CG2 3.31Å; E13-T17 PolarHBondContact O-N 2.96Å; E13-T17 PolarHBondContact O-OG1 3.04Å
14S95.6Very high93.5Very high3 Ų383 Ų832%0.02139%0.391CS..Hα-helixtrans-64.1-32.3177.7-63.90000114.2N10 R12 E16 T17 G18 D19 F20 W22N10-S14 VanDerWaalsContact O-CB 3.31Å; N10-S14 WeakPolarHBondContact O-CB 3.45Å; N10-S14 PolarHBondContact O-N 3.41Å; N10-S14 PolarHBondContact O-OG 2.74Å; R12-S14 VanDerWaalsContact C-N 3.33Å; R12-S14 PolarHBondContact O-N 2.82Å; S14-E16 PolarHBondContact O-N 3.34Å; S14-T17 WeakPolarHBondContact CA-OG1 3.34Å; S14-G18 VanDerWaalsContact O-CA 3.22Å; S14-G18 WeakPolarHBondContact O-CA 3.28Å; S14-G18 PolarHBondContact O-N 3.42Å; S14-D19 WeakPolarHBondContact CB-O 3.5Å; S14-D19 PolarHBondContact OG-O 3.22Å; S14-F20 WeakPolarHBondContact O-CE2 3.22Å; S14-W22 PolarHBondContact OG-NE1 3.43Å
15L93.4Very high93.6Very high101 Ų10181.5 Ų81.553%0.52939%0.394SS..Hα-helixtrans-65.7-31.1176.2-73.8169.2000111.7C11 R12 E13 F20 A61C11-L15 VanDerWaalsContact O-CG 3.28Å; C11-L15 WeakPolarHBondContact O-CG 3.23Å; C11-L15 PolarHBondContact O-N 2.87Å; R12-L15 PolarHBondContact O-N 2.54Å; E13-L15 VanDerWaalsContact C-N 3.32Å; E13-L15 PolarHBondContact O-N 2.83Å; L15-F20 HydrophobicContact CD2-CZ 4.41Å; L15-A61 HydrophobicContact CD2-CB 3.86Å
16E92.6Very high93.6Very high157 Ų15777.4 Ų77.473%0.73437%0.372SS*.Hα-helixtrans-86.8-44.4178.1-63.1-179.4179.400112.3E13 S14 K60E13-E16 PolarHBondContact O-N 3.42Å; E13-E16 VanDerWaalsContact O-N 3.15Å; S14-E16 PolarHBondContact O-N 3.34Å; E16-K60 WeakPolarHBondContact O-CD 3.35Å
17T94.5Very high93.5Very high64 Ų6475.6 Ų75.639%0.39337%0.369SS..Hα-helixtrans-81.9-29.4-175.358.40000112.9E13 S14 D19 K60E13-T17 HydrophobicContact CG-CG2 3.95Å; E13-T17 WeakPolarHBondContact O-CB 3.42Å; E13-T17 WeakPolarHBondContact O-CG2 3.31Å; E13-T17 PolarHBondContact O-N 2.96Å; E13-T17 PolarHBondContact O-OG1 3.04Å; S14-T17 WeakPolarHBondContact CA-OG1 3.34Å; T17-D19 VanDerWaalsContact C-N 3.26Å; T17-D19 PolarHBondContact OG1-N 3.35Å; T17-K60 WeakPolarHBondContact O-CD 3.47Å
18G94.6Very high93.7Very high8 Ų880.1 Ų80.18%0.08239%0.385CS..  trans80.13.6-170.600000114.2S14 N63S14-G18 VanDerWaalsContact O-CA 3.22Å; S14-G18 WeakPolarHBondContact O-CA 3.28Å; S14-G18 PolarHBondContact O-N 3.42Å; G18-N63 WeakPolarHBondContact O-CB 3.44Å; G18-N63 PolarHBondContact O-ND2 2.86Å
19D94.5Very high93.8Very high78 Ų7877.3 Ų77.342%0.41737%0.374SS..  trans-91.7110.1-178.9-179.75.9000110.7S14 T17 E21S14-D19 WeakPolarHBondContact CB-O 3.5Å; S14-D19 PolarHBondContact OG-O 3.22Å; T17-D19 VanDerWaalsContact C-N 3.26Å; T17-D19 PolarHBondContact OG1-N 3.35Å; D19-E21 VanDerWaalsContact OD1-CB 3.23Å; D19-E21 WeakPolarHBondContact OD1-CB 3.49Å; D19-E21 VanDerWaalsContact OD1-CG 3.27Å; D19-E21 WeakPolarHBondContact OD1-CG 3.47Å; D19-E21 PolarHBondContact OD1-N 3.17Å
20F94.9Very high93.9Very high13 Ų1377.7 Ų77.76%0.05738%0.383CS..  trans-111.519174.8-65.9-91.1000112.1S14 L15 W22 M23 N63 Y64 R67S14-F20 WeakPolarHBondContact O-CE2 3.22Å; L15-F20 HydrophobicContact CD2-CZ 4.41Å; F20-W22 VanDerWaalsContact C-N 3.27Å; F20-W22 PolarHBondContact O-N 3.09Å; F20-M23 VanDerWaalsContact O-CB 3.26Å; F20-M23 WeakPolarHBondContact O-CB 3.37Å; F20-M23 PolarHBondContact O-N 2.87Å; F20-N63 HydrophobicContact CD2-CB 3.92Å; F20-N63 HydrophobicContact CE2-CB 4.13Å; F20-Y64 AromaticContact CD1-CD2 3.91Å; F20-Y64 HydrophobicContact CD1-CD2 3.91Å; F20-Y64 AromaticContact CE1-CD2 3.78Å; F20-Y64 HydrophobicContact CE1-CD2 3.78Å; F20-Y64 HydrophobicContact CE1-CG 4.26Å; F20-Y64 HydrophobicContact CZ-CD2 4.48Å; F20-R67 HydrophobicContact CB-CB 3.9Å; F20-R67 HydrophobicContact CB-CG 3.81Å; F20-R67 WeakPolarHBondContact O-CG 3.41Å; F20-R67 PolarHBondContact O-NE 3.2Å
21E92.6Very high94Very high142 Ų14282.7 Ų82.766%0.66440%0.4SS*.THydrogen-bonded Turntrans-61.4-35-177-73.3-172174.800112.9D19 M23 R67D19-E21 VanDerWaalsContact OD1-CB 3.23Å; D19-E21 WeakPolarHBondContact OD1-CB 3.49Å; D19-E21 VanDerWaalsContact OD1-CG 3.27Å; D19-E21 WeakPolarHBondContact OD1-CG 3.47Å; D19-E21 PolarHBondContact OD1-N 3.17Å; E21-M23 PolarHBondContact O-N 3.41Å; E21-M23 VanDerWaalsContact O-N 3.12Å; E21-R67 PolarHBondContact O-NH2 3.19Å; E21-R67 VanDerWaalsContact O-NH2 3.12Å
22W92.9Very high94.2Very high52 Ų5282.5 Ų82.520%0.19739%0.394CS..THydrogen-bonded Turntrans-57.4-25.8175.570.1-94.8000112.7I2 F7 N10 S14 F20 K24I2-W22 HydrophobicContact CD1-CE3 3.75Å; I2-W22 HydrophobicContact CD1-CZ3 4.12Å; F7-W22 AromaticContact CD2-CH2 3.47Å; F7-W22 HydrophobicContact CD2-CH2 3.47Å; F7-W22 VanDerWaalsContact CD2-CH2 3.47Å; F7-W22 AromaticContact CD2-CZ3 3.57Å; F7-W22 HydrophobicContact CD2-CZ3 3.57Å; F7-W22 AromaticContact CE2-CH2 3.56Å; F7-W22 HydrophobicContact CE2-CH2 3.56Å; F7-W22 AromaticContact CE2-CZ3 3.95Å; F7-W22 HydrophobicContact CE2-CZ3 3.95Å; F7-W22 HydrophobicContact CG-CH2 4.2Å; F7-W22 HydrophobicContact CG-CZ3 4.45Å; F7-W22 HydrophobicContact CZ-CH2 4.36Å; N10-W22 HydrophobicContact CB-CD2 3.66Å; N10-W22 HydrophobicContact CB-CE3 4.06Å; N10-W22 HydrophobicContact CB-CG 4.17Å; N10-W22 HydrophobicContact CB-CH2 3.97Å; N10-W22 HydrophobicContact CB-CZ2 3.56Å; N10-W22 HydrophobicContact CB-CZ3 4.21Å; S14-W22 PolarHBondContact OG-NE1 3.43Å; F20-W22 VanDerWaalsContact C-N 3.27Å; F20-W22 PolarHBondContact O-N 3.09Å; W22-K24 PolarHBondContact O-N 3.01Å
23M93.2Very high94.3Very high7 Ų779.3 Ų79.33%0.03439%0.392CS..  trans-71.2102.2174.2-172175.264.600109F20 E21 I25 Y64 R67 L71F20-M23 VanDerWaalsContact O-CB 3.26Å; F20-M23 WeakPolarHBondContact O-CB 3.37Å; F20-M23 PolarHBondContact O-N 2.87Å; E21-M23 PolarHBondContact O-N 3.41Å; E21-M23 VanDerWaalsContact O-N 3.12Å; M23-I25 VanDerWaalsContact CG-O 3.32Å; M23-I25 WeakPolarHBondContact CG-O 3.23Å; M23-Y64 HydrophobicContact CE-CD2 4.49Å; M23-Y64 HydrophobicContact CE-CE2 4.35Å; M23-Y64 HydrophobicContact SD-CE2 4.11Å; M23-R67 HydrophobicContact CE-CB 3.94Å; M23-R67 HydrophobicContact CE-CG 3.43Å; M23-R67 VanDerWaalsContact CE-CG 3.43Å; M23-R67 PolarHBondContact O-NE 3.21Å; M23-R67 PolarHBondContact O-NH2 3.09Å; M23-L71 HydrophobicContact CE-CD1 4.01Å; M23-L71 HydrophobicContact CG-CD1 4.2Å
24K91.7Very high94.4Very high171 Ų17179.4 Ų79.474%0.74340%0.396SS*.  trans-91.8-23.9176.7-65178.8-177.8179.50113.2W22W22-K24 PolarHBondContact O-N 3.01Å
25I91.8Very high94.5Very high142 Ų14286.3 Ų86.373%0.72844%0.438SS*.SBendtrans-134.3138.4-175.8-58174000107.4M23M23-I25 VanDerWaalsContact CG-O 3.32Å; M23-I25 WeakPolarHBondContact CG-O 3.23Å
26V92.8Very high94.6Very high21 Ų2186.3 Ų86.313%0.12744%0.439CS..PPolyproline II helixtrans-79.9132.5175.4-175.80000109.6K40 T68 L71 L72V26-K40 VanDerWaalsContact CG1-NZ 3.32Å; V26-T68 HydrophobicContact CB-CG2 4.49Å; V26-T68 HydrophobicContact CG1-CG2 3.59Å; V26-T68 HydrophobicContact CG2-CG2 4.01Å; V26-L71 HydrophobicContact CG2-CB 3.56Å; V26-L71 HydrophobicContact CG2-CD1 3.69Å; V26-L71 HydrophobicContact CG2-CG 4.3Å; V26-L72 HydrophobicContact CB-CD2 4.31Å; V26-L72 HydrophobicContact CG1-CD1 4.36Å; V26-L72 HydrophobicContact CG2-CD1 4.44Å; V26-L72 HydrophobicContact CG2-CD2 4.16Å; V26-L72 HydrophobicContact CG2-CG 3.96Å
27P92.3Very high94.8Very high53 Ų5382 Ų8234%0.34442%0.419SS..PPolyproline II helixtrans-59.9158.4176.125.4-34.7000112.1D29 K40P27-D29 PolarHBondContact O-N 3.48Å; P27-K40 PolarHBondContact O-NZ 3.3Å
28Y94.3Very high94.9Very high175 Ų17582 Ų8269%0.68642%0.418SS*.PPolyproline II helixtrans-60.2132.9170.9177.3-104.5000109.9P33Y28-P33 WeakPolarHBondContact OH-CB 3.33Å
29D95.9Very high95Very high27 Ų2784.5 Ų84.514%0.14443%0.433CS..  trans-120.3110.2179.7-174.5-18.1000108.1P27 R31 F32 K40P27-D29 PolarHBondContact O-N 3.48Å; D29-R31 PolarHBondContact O-N 2.96Å; D29-R31 VanDerWaalsContact O-N 3.12Å; D29-R31 VanDerWaalsContact OD1-CB 3.23Å; D29-R31 WeakPolarHBondContact OD1-CB 3.47Å; D29-R31 VanDerWaalsContact OD1-CG 3.25Å; D29-R31 WeakPolarHBondContact OD1-CG 3.26Å; D29-R31 IonicContact OD1-CZ 2.75Å; D29-R31 PolarHBondContact OD1-N 3.34Å; D29-R31 IonicContact OD1-NE 3.94Å; D29-R31 PolarHBondContact OD1-NE 3.42Å; D29-R31 IonicContact OD2-CZ 3.49Å; D29-R31 VanDerWaalsContact OD2-CZ 3.27Å; D29-R31 IonicContact OD2-NE 3.27Å; D29-R31 PolarHBondContact OD2-NE 3.06Å; D29-R31 VanDerWaalsContact OD2-NE 3.07Å; D29-R31 IonicContact OD2-NH2 3.74Å; D29-R31 PolarHBondContact OD2-NH2 3.12Å; D29-F32 HydrophobicContact CB-CD2 4.19Å; D29-F32 CarbonylContact O-C 3.32Å; D29-F32 PolarHBondContact O-N 3.06Å; D29-F32 WeakPolarHBondContact OD2-CD2 3.43Å; D29-F32 WeakPolarHBondContact OD2-CE2 3.32Å; D29-K40 HydrophobicContact CB-CD 4.31Å
30S96.9Very high95.1Very high93 Ų9381.3 Ų81.365%0.6542%0.416SS*.THydrogen-bonded Turntrans-64.5-14.5-176.8560000113.6F32 P33S30-F32 PolarHBondContact O-N 3.23Å; S30-P33 WeakPolarHBondContact O-CD 3.2Å
31R96.8Very high95.2Very high136 Ų13680.9 Ų80.951%0.51341%0.414SS..THydrogen-bonded Turntrans-69.4-25.4171.5-56.2176.6-64.61680.1112D29 P33D29-R31 PolarHBondContact O-N 2.96Å; D29-R31 VanDerWaalsContact O-N 3.12Å; D29-R31 VanDerWaalsContact OD1-CB 3.23Å; D29-R31 WeakPolarHBondContact OD1-CB 3.47Å; D29-R31 VanDerWaalsContact OD1-CG 3.25Å; D29-R31 WeakPolarHBondContact OD1-CG 3.26Å; D29-R31 IonicContact OD1-CZ 2.75Å; D29-R31 PolarHBondContact OD1-N 3.34Å; D29-R31 IonicContact OD1-NE 3.94Å; D29-R31 PolarHBondContact OD1-NE 3.42Å; D29-R31 IonicContact OD2-CZ 3.49Å; D29-R31 VanDerWaalsContact OD2-CZ 3.27Å; D29-R31 IonicContact OD2-NE 3.27Å; D29-R31 PolarHBondContact OD2-NE 3.06Å; D29-R31 VanDerWaalsContact OD2-NE 3.07Å; D29-R31 IonicContact OD2-NH2 3.74Å; D29-R31 PolarHBondContact OD2-NH2 3.12Å; R31-P33 VanDerWaalsContact C-CD 3.43Å; R31-P33 WeakPolarHBondContact O-CD 3.33Å
32F97.2Very high95.4Very high34 Ų3475 Ų7515%0.14939%0.388CS..  trans-127.963.2-176.1-49.5-71.1000111.5D29 S30 N34 Q37 P39 K40 Q43D29-F32 HydrophobicContact CB-CD2 4.19Å; D29-F32 CarbonylContact O-C 3.32Å; D29-F32 PolarHBondContact O-N 3.06Å; D29-F32 WeakPolarHBondContact OD2-CD2 3.43Å; D29-F32 WeakPolarHBondContact OD2-CE2 3.32Å; S30-F32 PolarHBondContact O-N 3.23Å; F32-N34 VanDerWaalsContact C-N 3.3Å; F32-N34 PolarHBondContact O-N 3.34Å; F32-Q37 PolarHBondContact O-NE2 3.28Å; F32-P39 HydrophobicContact CD1-CB 3.81Å; F32-P39 HydrophobicContact CE1-CB 3.74Å; F32-K40 HydrophobicContact CB-CB 3.96Å; F32-K40 HydrophobicContact CB-CD 4.49Å; F32-K40 HydrophobicContact CB-CG 4.4Å; F32-K40 HydrophobicContact CD1-CB 4.29Å; F32-K40 HydrophobicContact CD2-CB 3.55Å; F32-K40 HydrophobicContact CD2-CD 4.2Å; F32-K40 HydrophobicContact CD2-CG 3.49Å; F32-K40 VanDerWaalsContact CD2-CG 3.49Å; F32-K40 HydrophobicContact CE2-CB 4.05Å; F32-K40 HydrophobicContact CE2-CG 3.97Å; F32-K40 HydrophobicContact CG-CB 3.67Å; F32-K40 HydrophobicContact CG-CG 4.1Å; F32-Q43 HydrophobicContact CE2-CB 4.37Å; F32-Q43 HydrophobicContact CZ-CB 3.73Å; F32-Q43 HydrophobicContact CZ-CG 3.95Å
33P97.3Very high95.6Very high72 Ų7275.3 Ų75.347%0.46839%0.392SS..  trans-76.4-16.4-172.532.7-37.2000113.7Y28 S30 R31Y28-P33 WeakPolarHBondContact OH-CB 3.33Å; S30-P33 WeakPolarHBondContact O-CD 3.2Å; R31-P33 VanDerWaalsContact C-CD 3.43Å; R31-P33 WeakPolarHBondContact O-CD 3.33Å
34N96.7Very high95.8Very high119 Ų11975.2 Ų75.264%0.63639%0.391SS*.SBendtrans-83.7160.1-172.7-62.8-37.2000112.3F32 N36 Q37F32-N34 VanDerWaalsContact C-N 3.3Å; F32-N34 PolarHBondContact O-N 3.34Å; N34-N36 PolarHBondContact O-N 3.12Å; N34-N36 VanDerWaalsContact O-N 3.13Å; N34-Q37 PolarHBondContact O-NE2 3.01Å
35T96.8Very high96.1Very high148 Ų14867.1 Ų67.191%0.90836%0.356SS*.SBendtrans-56.5-31.5178.2-47.60000113.5Q37T35-Q37 PolarHBondContact O-N 3.08Å; T35-Q37 VanDerWaalsContact O-N 3.08Å
36N96.5Very high96.3Very high100 Ų10060.5 Ų60.554%0.53532%0.322SS..  trans-74.499.5174.9-1764.7000110.9N34 T38 P39N34-N36 PolarHBondContact O-N 3.12Å; N34-N36 VanDerWaalsContact O-N 3.13Å; N36-T38 VanDerWaalsContact C-N 3.34Å; N36-T38 WeakPolarHBondContact OD1-CB 3.45Å; N36-T38 PolarHBondContact OD1-N 3.05Å; N36-T38 PolarHBondContact OD1-OG1 3.2Å; N36-P39 WeakPolarHBondContact O-CD 3.1Å
37Q95.7Very high96.5Very high68 Ų6860.8 Ų60.832%0.31832%0.323SS..  trans-87.82.5178.4-65-66.1-6100113.7F32 N34 T35 P39 K40 C41F32-Q37 PolarHBondContact O-NE2 3.28Å; N34-Q37 PolarHBondContact O-NE2 3.01Å; T35-Q37 PolarHBondContact O-N 3.08Å; T35-Q37 VanDerWaalsContact O-N 3.08Å; Q37-P39 VanDerWaalsContact C-CD 3.49Å; Q37-K40 WeakPolarHBondContact O-CB 3.41Å; Q37-K40 PolarHBondContact O-N 3.16Å; Q37-C41 PolarHBondContact O-N 3.5Å
38T96.7Very high96.8Very high62 Ų6259.2 Ų59.238%0.3831%0.311SS..Hα-helixtrans-53.7-45.1177-51.30000112.7N36 K40 C41 V42 W77N36-T38 VanDerWaalsContact C-N 3.34Å; N36-T38 WeakPolarHBondContact OD1-CB 3.45Å; N36-T38 PolarHBondContact OD1-N 3.05Å; N36-T38 PolarHBondContact OD1-OG1 3.2Å; T38-K40 VanDerWaalsContact C-N 3.3Å; T38-K40 PolarHBondContact O-N 2.75Å; T38-C41 WeakPolarHBondContact O-CB 3.37Å; T38-C41 PolarHBondContact O-N 2.99Å; T38-V42 HydrophobicContact CG2-CG2 4.45Å; T38-V42 WeakPolarHBondContact O-CG2 3.43Å; T38-V42 PolarHBondContact O-N 3.31Å; T38-W77 HydrophobicContact CG2-CH2 3.96Å; T38-W77 HydrophobicContact CG2-CZ3 3.76Å
39P96.6Very high96.8Very high61 Ų6152 Ų5240%0.39628%0.283SS..Hα-helixtrans-63.5-34.7177.8-22.535.8000112.9F32 N36 Q37 Q43F32-P39 HydrophobicContact CD1-CB 3.81Å; F32-P39 HydrophobicContact CE1-CB 3.74Å; N36-P39 WeakPolarHBondContact O-CD 3.1Å; Q37-P39 VanDerWaalsContact C-CD 3.49Å; P39-Q43 WeakPolarHBondContact O-CB 3.36Å; P39-Q43 PolarHBondContact O-N 3.34Å
40K97.1Very high96.9Very high11 Ų1154.6 Ų54.65%0.04829%0.291CS..Hα-helixtrans-65.1-44.4176.2-168.1-176.3-178.8-179.50111V26 P27 D29 F32 Q37 T38 N44 L72V26-K40 VanDerWaalsContact CG1-NZ 3.32Å; P27-K40 PolarHBondContact O-NZ 3.3Å; D29-K40 HydrophobicContact CB-CD 4.31Å; F32-K40 HydrophobicContact CB-CB 3.96Å; F32-K40 HydrophobicContact CB-CD 4.49Å; F32-K40 HydrophobicContact CB-CG 4.4Å; F32-K40 HydrophobicContact CD1-CB 4.29Å; F32-K40 HydrophobicContact CD2-CB 3.55Å; F32-K40 HydrophobicContact CD2-CD 4.2Å; F32-K40 HydrophobicContact CD2-CG 3.49Å; F32-K40 VanDerWaalsContact CD2-CG 3.49Å; F32-K40 HydrophobicContact CE2-CB 4.05Å; F32-K40 HydrophobicContact CE2-CG 3.97Å; F32-K40 HydrophobicContact CG-CB 3.67Å; F32-K40 HydrophobicContact CG-CG 4.1Å; Q37-K40 WeakPolarHBondContact O-CB 3.41Å; Q37-K40 PolarHBondContact O-N 3.16Å; T38-K40 VanDerWaalsContact C-N 3.3Å; T38-K40 PolarHBondContact O-N 2.75Å; K40-N44 PolarHBondContact O-N 3.19Å; K40-N44 VanDerWaalsContact O-N 3.15Å; K40-N44 PolarHBondContact O-ND2 3.33Å; K40-L72 HydrophobicContact CB-CD1 4.16Å; K40-L72 HydrophobicContact CD-CD1 3.59Å; K40-L72 HydrophobicContact CD-CD2 4.16Å; K40-L72 HydrophobicContact CG-CD1 3.51Å
41C97.3Very high96.9Very high4 Ų450.7 Ų50.73%0.02726%0.264CS..Hα-helixtrans-57.1-56174.51560000111.3Q37 T38 Q43 N44 F45 L72 C73Q37-C41 PolarHBondContact O-N 3.5Å; T38-C41 WeakPolarHBondContact O-CB 3.37Å; T38-C41 PolarHBondContact O-N 2.99Å; C41-Q43 PolarHBondContact O-N 2.94Å; C41-N44 PolarHBondContact O-N 2.93Å; C41-F45 PolarHBondContact O-N 2.92Å; C41-L72 HydrophobicContact CB-CB 4.06Å; C41-C73 VanDerWaalsContact C-SG 3.53Å; C41-C73 WeakPolarHBondContact CA-SG 3.46Å; C41-C73 HydrophobicContact CB-CB 4.17Å; C41-C73 WeakPolarHBondContact CB-SG 3.02Å; C41-C73 PolarHBondContact O-SG 3.01Å; C41-C73 WeakPolarHBondContact SG-CA 3.44Å; C41-C73 WeakPolarHBondContact SG-CB 3.39Å; C41-C73 CovalentContact SG-SG 2.02Å; C41-C73 PolarHBondContact SG-SG 3.28Å
42V96.6Very high96.8Very high19 Ų1947.2 Ų47.212%0.11525%0.252CS..Hα-helixtrans-59.2-46.4-179.31740000111.4T38 N44 F45 V46 W81 Y92T38-V42 HydrophobicContact CG2-CG2 4.45Å; T38-V42 WeakPolarHBondContact O-CG2 3.43Å; T38-V42 PolarHBondContact O-N 3.31Å; V42-N44 VanDerWaalsContact C-N 3.35Å; V42-N44 PolarHBondContact O-N 2.93Å; V42-F45 PolarHBondContact O-N 3.38Å; V42-V46 HydrophobicContact CG1-CG2 4.29Å; V42-V46 WeakPolarHBondContact O-CG2 3.49Å; V42-V46 PolarHBondContact O-N 3.48Å; V42-W81 HydrophobicContact CB-CH2 4.38Å; V42-W81 HydrophobicContact CG2-CH2 3.61Å; V42-W81 HydrophobicContact CG2-CZ2 3.88Å; V42-Y92 HydrophobicContact CG1-CD1 4.29Å; V42-Y92 HydrophobicContact CG1-CD2 4.46Å; V42-Y92 HydrophobicContact CG1-CE1 3.68Å; V42-Y92 HydrophobicContact CG1-CE2 3.89Å; V42-Y92 VanDerWaalsContact CG1-CZ 3.45Å
43Q97.2Very high96.6Very high59 Ų5954 Ų5428%0.27628%0.277SS..Hα-helixtrans-61.2-43-176.9-173.66347.500111.8F32 P39 C41 V46 D47F32-Q43 HydrophobicContact CE2-CB 4.37Å; F32-Q43 HydrophobicContact CZ-CB 3.73Å; F32-Q43 HydrophobicContact CZ-CG 3.95Å; P39-Q43 WeakPolarHBondContact O-CB 3.36Å; P39-Q43 PolarHBondContact O-N 3.34Å; C41-Q43 PolarHBondContact O-N 2.94Å; Q43-V46 PolarHBondContact O-N 2.86Å; Q43-D47 WeakPolarHBondContact CG-OD2 3.42Å; Q43-D47 VanDerWaalsContact NE2-CG 3.28Å; Q43-D47 PolarHBondContact NE2-OD1 3.27Å; Q43-D47 PolarHBondContact NE2-OD2 2.86Å; Q43-D47 VanDerWaalsContact O-CB 3.31Å; Q43-D47 WeakPolarHBondContact O-CB 3.07Å; Q43-D47 PolarHBondContact O-N 2.87Å
44N97.5Very high96.5Very high4 Ų456.4 Ų56.42%0.02129%0.285CS..Hα-helixtrans-67.2-38.2179.3-79-81.9000112.3K40 C41 V42 D47 F48 T68 A69K40-N44 PolarHBondContact O-N 3.19Å; K40-N44 VanDerWaalsContact O-N 3.15Å; K40-N44 PolarHBondContact O-ND2 3.33Å; C41-N44 PolarHBondContact O-N 2.93Å; V42-N44 VanDerWaalsContact C-N 3.35Å; V42-N44 PolarHBondContact O-N 2.93Å; N44-D47 PolarHBondContact O-N 3.06Å; N44-F48 PolarHBondContact O-N 3.38Å; N44-T68 HydrophobicContact CB-CG2 4.03Å; N44-T68 VanDerWaalsContact OD1-CG2 3.28Å; N44-T68 WeakPolarHBondContact OD1-CG2 3.48Å; N44-A69 HydrophobicContact CB-CB 4.29Å
45F97.5Very high96.4Very high1 Ų157.8 Ų57.80%0.00428%0.282CS..Hα-helixtrans-63.4-45.4174-177.5-90.5000111.6C41 V42 F48 Q49 A69 I78 W81 E82 V85C41-F45 PolarHBondContact O-N 2.92Å; V42-F45 PolarHBondContact O-N 3.38Å; F45-F48 WeakPolarHBondContact O-CB 3.13Å; F45-F48 PolarHBondContact O-N 3.15Å; F45-Q49 HydrophobicContact CD1-CG 4.33Å; F45-Q49 HydrophobicContact CE1-CG 3.86Å; F45-Q49 HydrophobicContact CZ-CG 4.2Å; F45-Q49 WeakPolarHBondContact O-CG 3.46Å; F45-Q49 PolarHBondContact O-N 2.81Å; F45-A69 HydrophobicContact CB-CB 4.25Å; F45-I78 HydrophobicContact CD2-CG2 4.41Å; F45-I78 HydrophobicContact CE2-CG2 4.12Å; F45-W81 HydrophobicContact CB-CE3 4Å; F45-W81 HydrophobicContact CB-CZ3 4.03Å; F45-W81 HydrophobicContact CD1-CB 4Å; F45-W81 HydrophobicContact CD1-CD2 4.28Å; F45-W81 AromaticContact CD1-CE3 3.84Å; F45-W81 HydrophobicContact CD1-CE3 3.84Å; F45-W81 HydrophobicContact CD1-CG 4.39Å; F45-W81 HydrophobicContact CD2-CE3 4.04Å; F45-W81 HydrophobicContact CE1-CB 3.36Å; F45-W81 HydrophobicContact CE1-CE3 4.37Å; F45-W81 HydrophobicContact CE1-CG 4.19Å; F45-W81 HydrophobicContact CE2-CB 4.12Å; F45-W81 AromaticContact CG-CE3 3.66Å; F45-W81 HydrophobicContact CG-CE3 3.66Å; F45-W81 HydrophobicContact CG-CZ3 4.22Å; F45-W81 HydrophobicContact CZ-CB 3.42Å; F45-W81 VanDerWaalsContact CZ-CB 3.42Å; F45-E82 HydrophobicContact CE2-CG 4.08Å; F45-E82 HydrophobicContact CZ-CG 4.19Å; F45-V85 HydrophobicContact CE1-CG2 4.15Å; F45-V85 HydrophobicContact CZ-CG2 4.33Å
46V97.1Very high96.2Very high4 Ų452.2 Ų52.22%0.02425%0.253CS..Hα-helixtrans-64.9-40.6178.1173.60000111.4V42 Q43 F48 Q49 R50 Y92V42-V46 HydrophobicContact CG1-CG2 4.29Å; V42-V46 WeakPolarHBondContact O-CG2 3.49Å; V42-V46 PolarHBondContact O-N 3.48Å; Q43-V46 PolarHBondContact O-N 2.86Å; V46-F48 VanDerWaalsContact C-N 3.32Å; V46-F48 PolarHBondContact O-N 3.36Å; V46-Q49 PolarHBondContact O-N 2.03Å; V46-R50 HydrophobicContact CG1-CG 4.36Å; V46-R50 WeakPolarHBondContact O-CG 3.03Å; V46-R50 PolarHBondContact O-N 2.84Å; V46-Y92 HydrophobicContact CG2-CD1 4.43Å; V46-Y92 HydrophobicContact CG2-CD2 3.94Å; V46-Y92 HydrophobicContact CG2-CG 3.77Å
47D97.2Very high95.9Very high26 Ų2654.5 Ų54.514%0.13926%0.261CS..Hα-helixtrans-64.8-36.5177.4-73.1-18000111.7Q43 N44 R50 C51 F65Q43-D47 WeakPolarHBondContact CG-OD2 3.42Å; Q43-D47 VanDerWaalsContact NE2-CG 3.28Å; Q43-D47 PolarHBondContact NE2-OD1 3.27Å; Q43-D47 PolarHBondContact NE2-OD2 2.86Å; Q43-D47 VanDerWaalsContact O-CB 3.31Å; Q43-D47 WeakPolarHBondContact O-CB 3.07Å; Q43-D47 PolarHBondContact O-N 2.87Å; N44-D47 PolarHBondContact O-N 3.06Å; D47-R50 PolarHBondContact O-N 3.4Å; D47-R50 IonicContact OD1-NH1 2.99Å; D47-C51 WeakPolarHBondContact O-CB 3.5Å; D47-C51 PolarHBondContact O-N 3.17Å; D47-F65 HydrophobicContact CB-CD1 3.79Å; D47-F65 HydrophobicContact CB-CD2 4.36Å; D47-F65 HydrophobicContact CB-CE1 3.98Å; D47-F65 HydrophobicContact CB-CG 4Å; D47-F65 HydrophobicContact CB-CZ 4.34Å
48F96.9Very high95.7Very high20 Ų2059.3 Ų59.39%0.08828%0.283CS..Hα-helixtrans-58.5-50.1171.2172.9-117.1000111.8N44 F45 V46 R50 C51 K52 C62 F65 M66N44-F48 PolarHBondContact O-N 3.38Å; F45-F48 WeakPolarHBondContact O-CB 3.13Å; F45-F48 PolarHBondContact O-N 3.15Å; V46-F48 VanDerWaalsContact C-N 3.32Å; V46-F48 PolarHBondContact O-N 3.36Å; F48-R50 PolarHBondContact O-N 3.47Å; F48-C51 PolarHBondContact O-N 3Å; F48-K52 HydrophobicContact CD2-CG 4.38Å; F48-K52 HydrophobicContact CE1-CD 3.88Å; F48-K52 HydrophobicContact CE2-CD 3.84Å; F48-K52 HydrophobicContact CE2-CG 3.99Å; F48-K52 HydrophobicContact CZ-CD 3.49Å; F48-K52 VanDerWaalsContact CZ-CD 3.49Å; F48-K52 HydrophobicContact CZ-CG 4.17Å; F48-K52 PolarHBondContact O-N 3.45Å; F48-C62 HydrophobicContact CD2-CB 4.26Å; F48-C62 WeakPolarHBondContact CD2-O 3.18Å; F48-C62 HydrophobicContact CE2-CB 4.46Å; F48-F65 HydrophobicContact CB-CB 3.72Å; F48-M66 HydrophobicContact CD1-CB 4.19Å; F48-M66 HydrophobicContact CD1-CE 4.36Å; F48-M66 HydrophobicContact CD1-CG 4.39Å; F48-M66 HydrophobicContact CD1-SD 3.87Å; F48-M66 HydrophobicContact CD2-CB 3.65Å; F48-M66 HydrophobicContact CE1-CB 4.24Å; F48-M66 HydrophobicContact CE1-CE 3.86Å; F48-M66 HydrophobicContact CE1-CG 4.15Å; F48-M66 HydrophobicContact CE1-SD 3.88Å; F48-M66 HydrophobicContact CE2-CB 3.7Å; F48-M66 HydrophobicContact CE2-CG 4.32Å; F48-M66 HydrophobicContact CG-CB 3.88Å; F48-M66 HydrophobicContact CG-SD 4.41Å; F48-M66 HydrophobicContact CZ-CB 3.98Å; F48-M66 HydrophobicContact CZ-CE 4.43Å; F48-M66 HydrophobicContact CZ-CG 4.09Å; F48-M66 HydrophobicContact CZ-SD 4.42Å
49Q96.2Very high95.6Very high23 Ų2361.6 Ų61.611%0.10729%0.286CS..Hα-helixtrans-63.9-41.2180-61.9-60.3-20.600112.2F45 V46 K52 R53 V85 I94F45-Q49 HydrophobicContact CD1-CG 4.33Å; F45-Q49 HydrophobicContact CE1-CG 3.86Å; F45-Q49 HydrophobicContact CZ-CG 4.2Å; F45-Q49 WeakPolarHBondContact O-CG 3.46Å; F45-Q49 PolarHBondContact O-N 2.81Å; V46-Q49 PolarHBondContact O-N 2.03Å; Q49-K52 PolarHBondContact O-N 2.92Å; Q49-R53 WeakPolarHBondContact O-CB 3.36Å; Q49-R53 PolarHBondContact O-N 3.26Å; Q49-V85 HydrophobicContact CG-CG2 4.09Å; Q49-I94 HydrophobicContact CB-CD1 3.71Å; Q49-I94 HydrophobicContact CB-CG1 3.89Å; Q49-I94 HydrophobicContact CB-CG2 3.83Å; Q49-I94 HydrophobicContact CG-CD1 4.05Å
50R96.4Very high95.5Very high83 Ų8363.7 Ų63.731%0.31329%0.289SS..Hα-helixtrans-63.1-43.7174.4-73.5173.4178.1170.60.6111.9V46 D47 F48 R53 I54 K93 I94V46-R50 HydrophobicContact CG1-CG 4.36Å; V46-R50 WeakPolarHBondContact O-CG 3.03Å; V46-R50 PolarHBondContact O-N 2.84Å; D47-R50 PolarHBondContact O-N 3.4Å; D47-R50 IonicContact OD1-NH1 2.99Å; F48-R50 PolarHBondContact O-N 3.47Å; R50-R53 PolarHBondContact O-N 3.19Å; R50-I54 WeakPolarHBondContact O-CG1 3.5Å; R50-I54 PolarHBondContact O-N 2.81Å; R50-K93 VanDerWaalsContact CZ-O 3.26Å; R50-K93 PolarHBondContact NE-O 2.86Å; R50-K93 PolarHBondContact NH2-O 3.15Å; R50-I94 HydrophobicContact CG-CG2 4.46Å
51C96.8Very high95.3Very high10 Ų1063.8 Ų63.87%0.06829%0.292CS..Hα-helixtrans-60.6-48.3179.5-173.10000110.6D47 F48 R53 I54 Y55 C62 F65D47-C51 WeakPolarHBondContact O-CB 3.5Å; D47-C51 PolarHBondContact O-N 3.17Å; F48-C51 PolarHBondContact O-N 3Å; C51-R53 VanDerWaalsContact C-N 3.3Å; C51-R53 PolarHBondContact O-N 3.26Å; C51-I54 PolarHBondContact O-N 3.17Å; C51-Y55 PolarHBondContact O-N 3.2Å; C51-C62 HydrophobicContact CB-CB 3.77Å; C51-C62 WeakPolarHBondContact CB-SG 3.47Å; C51-C62 WeakPolarHBondContact SG-CA 3.28Å; C51-C62 WeakPolarHBondContact SG-CB 3.49Å; C51-C62 CovalentContact SG-SG 2.03Å; C51-C62 PolarHBondContact SG-SG 2.83Å; C51-F65 HydrophobicContact CB-CD2 4.23Å; C51-F65 HydrophobicContact CB-CE2 4.35Å
52K94.8Very high95.3Very high63 Ų6363.7 Ų63.727%0.27429%0.291SS..Hα-helixtrans-57.1-40.7173.8-76.1-168.365.8-179.20112.6F48 Q49 G56 E57F48-K52 HydrophobicContact CD2-CG 4.38Å; F48-K52 HydrophobicContact CE1-CD 3.88Å; F48-K52 HydrophobicContact CE2-CD 3.84Å; F48-K52 HydrophobicContact CE2-CG 3.99Å; F48-K52 HydrophobicContact CZ-CD 3.49Å; F48-K52 VanDerWaalsContact CZ-CD 3.49Å; F48-K52 HydrophobicContact CZ-CG 4.17Å; F48-K52 PolarHBondContact O-N 3.45Å; Q49-K52 PolarHBondContact O-N 2.92Å; K52-G56 CarbonylContact O-C 3.58Å; K52-G56 VanDerWaalsContact O-C 3.32Å; K52-G56 WeakPolarHBondContact O-CA 3.33Å; K52-G56 PolarHBondContact O-N 3.29Å; K52-E57 WeakPolarHBondContact CE-OE1 3.43Å; K52-E57 IonicContact NZ-OE1 3.07Å; K52-E57 PolarHBondContact NZ-OE1 3.35Å
53R93.5Very high95.3Very high177 Ų17766 Ų6667%0.66830%0.302SS*.Hα-helixtrans-70.6-37.6-179.6-175.5176.9178.9-177.26.1113.5Q49 R50 C51 I94Q49-R53 WeakPolarHBondContact O-CB 3.36Å; Q49-R53 PolarHBondContact O-N 3.26Å; R50-R53 PolarHBondContact O-N 3.19Å; C51-R53 VanDerWaalsContact C-N 3.3Å; C51-R53 PolarHBondContact O-N 3.26Å; R53-I94 WeakPolarHBondContact CD-OXT 3.18Å; R53-I94 PolarHBondContact NH1-O 3.04Å; R53-I94 PolarHBondContact NH1-OXT 3.08Å
54I95.6Very high95.2Very high123 Ų12366.8 Ų66.863%0.63130%0.303SS*.Hα-helixtrans-81.1-46-176.7-67.5168.5000111.3R50 C51R50-I54 WeakPolarHBondContact O-CG1 3.5Å; R50-I54 PolarHBondContact O-N 2.81Å; C51-I54 PolarHBondContact O-N 3.17Å
55Y94.7Very high95.2Very high148 Ų14869.2 Ų69.258%0.5831%0.314SS*.Hα-helixtrans-100-12.7-172.8-63.2-76.2000113.8C51 Y59C51-Y55 PolarHBondContact O-N 3.2Å; Y55-Y59 VanDerWaalsContact CB-CB 3.5Å; Y55-Y59 HydrophobicContact CD1-CD1 4.3Å; Y55-Y59 HydrophobicContact CD1-CE1 4.4Å; Y55-Y59 AromaticContact CD2-CD1 3.86Å; Y55-Y59 HydrophobicContact CD2-CD1 3.86Å; Y55-Y59 HydrophobicContact CD2-CE1 4.1Å; Y55-Y59 HydrophobicContact CE2-CE1 4.44Å; Y55-Y59 AromaticContact CG-CD1 3.67Å; Y55-Y59 HydrophobicContact CG-CD1 3.67Å; Y55-Y59 HydrophobicContact CG-CE1 4.08Å; Y55-Y59 HydrophobicContact CG-CG 4.09Å
56G93Very high95.1Very high30 Ų3070.4 Ų70.431%0.30932%0.32SS..  trans89.3169.7-173.200000112.8K52 E58 Y59K52-G56 CarbonylContact O-C 3.58Å; K52-G56 VanDerWaalsContact O-C 3.32Å; K52-G56 WeakPolarHBondContact O-CA 3.33Å; K52-G56 PolarHBondContact O-N 3.29Å; G56-E58 VanDerWaalsContact C-N 3.28Å; G56-E58 PolarHBondContact O-N 3.33Å; G56-Y59 PolarHBondContact O-N 3.22Å
57E90.2Very high95.1Very high148 Ų14873.1 Ų73.169%0.69233%0.33SS*.THydrogen-bonded Turntrans-71.4-24-177.6-53.8-159.3128.200113.2K52 Y59K52-E57 WeakPolarHBondContact CE-OE1 3.43Å; K52-E57 IonicContact NZ-OE1 3.07Å; K52-E57 PolarHBondContact NZ-OE1 3.35Å; E57-Y59 PolarHBondContact O-N 3.35Å
58E91.3Very high95.1Very high169 Ų16971.9 Ų71.979%0.7932%0.323SS*.THydrogen-bonded Turntrans-74.4-10.7179.2-62.2-58.7139.900113.3G56 K60G56-E58 VanDerWaalsContact C-N 3.28Å; G56-E58 PolarHBondContact O-N 3.33Å; E58-K60 VanDerWaalsContact C-N 3.32Å; E58-K60 PolarHBondContact O-N 3.28Å
59Y94.2Very high95.1Very high111 Ų11171 Ų7144%0.43532%0.319SS..  trans-80.283.5179.7-166.5-119.2000111.4Y55 G56 E57 A61 C62Y55-Y59 VanDerWaalsContact CB-CB 3.5Å; Y55-Y59 HydrophobicContact CD1-CD1 4.3Å; Y55-Y59 HydrophobicContact CD1-CE1 4.4Å; Y55-Y59 AromaticContact CD2-CD1 3.86Å; Y55-Y59 HydrophobicContact CD2-CD1 3.86Å; Y55-Y59 HydrophobicContact CD2-CE1 4.1Å; Y55-Y59 HydrophobicContact CE2-CE1 4.44Å; Y55-Y59 AromaticContact CG-CD1 3.67Å; Y55-Y59 HydrophobicContact CG-CD1 3.67Å; Y55-Y59 HydrophobicContact CG-CE1 4.08Å; Y55-Y59 HydrophobicContact CG-CG 4.09Å; G56-Y59 PolarHBondContact O-N 3.22Å; E57-Y59 PolarHBondContact O-N 3.35Å; Y59-A61 HydrophobicContact CD1-CB 4.23Å; Y59-A61 HydrophobicContact CE1-CB 3.69Å; Y59-A61 HydrophobicContact CE2-CB 4.33Å; Y59-A61 PolarHBondContact O-N 2.98Å; Y59-C62 WeakPolarHBondContact O-CB 3.31Å; Y59-C62 PolarHBondContact O-N 3.46Å; Y59-C62 PolarHBondContact O-SG 3.48Å
60K93.9Very high95.1Very high105 Ų10574.6 Ų74.646%0.45734%0.336SS..G310 helixtrans-49.9-31.6-176.8-71.6174.9173.7-164.50115.3E16 T17 E58 C62 N63E16-K60 WeakPolarHBondContact O-CD 3.35Å; T17-K60 WeakPolarHBondContact O-CD 3.47Å; E58-K60 VanDerWaalsContact C-N 3.32Å; E58-K60 PolarHBondContact O-N 3.28Å; K60-C62 PolarHBondContact O-N 2.83Å; K60-C62 VanDerWaalsContact O-N 3.16Å; K60-N63 VanDerWaalsContact O-CB 3.23Å; K60-N63 WeakPolarHBondContact O-CB 3.37Å; K60-N63 VanDerWaalsContact O-CG 3.29Å; K60-N63 PolarHBondContact O-N 2.79Å; K60-N63 PolarHBondContact O-ND2 3.21Å
61A94.4Very high95.1Very high13 Ų1373.6 Ų73.611%0.10734%0.337CS..G310 helixtrans-61.8-22.5177.900000113L15 Y59 N63 Y64L15-A61 HydrophobicContact CD2-CB 3.86Å; Y59-A61 HydrophobicContact CD1-CB 4.23Å; Y59-A61 HydrophobicContact CE1-CB 3.69Å; Y59-A61 HydrophobicContact CE2-CB 4.33Å; Y59-A61 PolarHBondContact O-N 2.98Å; A61-N63 PolarHBondContact O-N 3.15Å; A61-Y64 WeakPolarHBondContact O-CB 3.35Å; A61-Y64 PolarHBondContact O-N 2.78Å
62C96.2Very high95.1Very high2 Ų275.5 Ų75.51%0.01435%0.346CS..G310 helixtrans-59.1-27172.8-62.50000112.7F48 C51 Y59 K60 Y64 F65F48-C62 HydrophobicContact CD2-CB 4.26Å; F48-C62 WeakPolarHBondContact CD2-O 3.18Å; F48-C62 HydrophobicContact CE2-CB 4.46Å; C51-C62 HydrophobicContact CB-CB 3.77Å; C51-C62 WeakPolarHBondContact CB-SG 3.47Å; C51-C62 WeakPolarHBondContact SG-CA 3.28Å; C51-C62 WeakPolarHBondContact SG-CB 3.49Å; C51-C62 CovalentContact SG-SG 2.03Å; C51-C62 PolarHBondContact SG-SG 2.83Å; Y59-C62 WeakPolarHBondContact O-CB 3.31Å; Y59-C62 PolarHBondContact O-N 3.46Å; Y59-C62 PolarHBondContact O-SG 3.48Å; K60-C62 PolarHBondContact O-N 2.83Å; K60-C62 VanDerWaalsContact O-N 3.16Å; C62-Y64 PolarHBondContact O-N 2.67Å; C62-Y64 VanDerWaalsContact O-N 3.08Å; C62-F65 PolarHBondContact O-N 2.99Å
63N96.1Very high95.2Very high66 Ų6673 Ų7335%0.35334%0.336SS..Hα-helixtrans-59.8-23.1-178.7-67-12.1000112.8G18 F20 K60 A61 F65 M66 R67G18-N63 WeakPolarHBondContact O-CB 3.44Å; G18-N63 PolarHBondContact O-ND2 2.86Å; F20-N63 HydrophobicContact CD2-CB 3.92Å; F20-N63 HydrophobicContact CE2-CB 4.13Å; K60-N63 VanDerWaalsContact O-CB 3.23Å; K60-N63 WeakPolarHBondContact O-CB 3.37Å; K60-N63 VanDerWaalsContact O-CG 3.29Å; K60-N63 PolarHBondContact O-N 2.79Å; K60-N63 PolarHBondContact O-ND2 3.21Å; A61-N63 PolarHBondContact O-N 3.15Å; N63-F65 VanDerWaalsContact C-N 3.28Å; N63-F65 PolarHBondContact O-N 3.02Å; N63-M66 PolarHBondContact O-N 3.12Å; N63-R67 WeakPolarHBondContact O-CB 3.43Å; N63-R67 PolarHBondContact O-N 3.02Å
64Y96.3Very high95.4Very high76 Ų7667.6 Ų67.630%0.29832%0.324SS..Hα-helixtrans-53.7-46.2171.8173.2-101.3000112.1F20 M23 A61 C62 R67 T68F20-Y64 AromaticContact CD1-CD2 3.91Å; F20-Y64 HydrophobicContact CD1-CD2 3.91Å; F20-Y64 AromaticContact CE1-CD2 3.78Å; F20-Y64 HydrophobicContact CE1-CD2 3.78Å; F20-Y64 HydrophobicContact CE1-CG 4.26Å; F20-Y64 HydrophobicContact CZ-CD2 4.48Å; M23-Y64 HydrophobicContact CE-CD2 4.49Å; M23-Y64 HydrophobicContact CE-CE2 4.35Å; M23-Y64 HydrophobicContact SD-CE2 4.11Å; A61-Y64 WeakPolarHBondContact O-CB 3.35Å; A61-Y64 PolarHBondContact O-N 2.78Å; C62-Y64 PolarHBondContact O-N 2.67Å; C62-Y64 VanDerWaalsContact O-N 3.08Å; Y64-R67 PolarHBondContact O-N 3.33Å; Y64-T68 WeakPolarHBondContact O-CB 3.23Å; Y64-T68 PolarHBondContact O-N 3.01Å; Y64-T68 PolarHBondContact O-OG1 3.07Å
65F97Very high95.4Very high56 Ų5665.6 Ų65.625%0.24632%0.321CS..Hα-helixtrans-68.4-40.8-178.3-65.1-61.7000111.4D47 F48 C51 C62 N63 T68 A69D47-F65 HydrophobicContact CB-CD1 3.79Å; D47-F65 HydrophobicContact CB-CD2 4.36Å; D47-F65 HydrophobicContact CB-CE1 3.98Å; D47-F65 HydrophobicContact CB-CG 4Å; D47-F65 HydrophobicContact CB-CZ 4.34Å; F48-F65 HydrophobicContact CB-CB 3.72Å; C51-F65 HydrophobicContact CB-CD2 4.23Å; C51-F65 HydrophobicContact CB-CE2 4.35Å; C62-F65 PolarHBondContact O-N 2.99Å; N63-F65 VanDerWaalsContact C-N 3.28Å; N63-F65 PolarHBondContact O-N 3.02Å; F65-T68 PolarHBondContact O-N 3.06Å; F65-A69 WeakPolarHBondContact O-CB 3.25Å; F65-A69 PolarHBondContact O-N 2.95Å
66M96Very high95.6Very high25 Ų2561.7 Ų61.712%0.12332%0.315CS..Hα-helixtrans-64.7-45.4176.6-172.253.3146.100111.4F48 N63 T68 A69 Q70 I78 E82F48-M66 HydrophobicContact CD1-CB 4.19Å; F48-M66 HydrophobicContact CD1-CE 4.36Å; F48-M66 HydrophobicContact CD1-CG 4.39Å; F48-M66 HydrophobicContact CD1-SD 3.87Å; F48-M66 HydrophobicContact CD2-CB 3.65Å; F48-M66 HydrophobicContact CE1-CB 4.24Å; F48-M66 HydrophobicContact CE1-CE 3.86Å; F48-M66 HydrophobicContact CE1-CG 4.15Å; F48-M66 HydrophobicContact CE1-SD 3.88Å; F48-M66 HydrophobicContact CE2-CB 3.7Å; F48-M66 HydrophobicContact CE2-CG 4.32Å; F48-M66 HydrophobicContact CG-CB 3.88Å; F48-M66 HydrophobicContact CG-SD 4.41Å; F48-M66 HydrophobicContact CZ-CB 3.98Å; F48-M66 HydrophobicContact CZ-CE 4.43Å; F48-M66 HydrophobicContact CZ-CG 4.09Å; F48-M66 HydrophobicContact CZ-SD 4.42Å; N63-M66 PolarHBondContact O-N 3.12Å; M66-T68 VanDerWaalsContact C-N 3.29Å; M66-T68 PolarHBondContact O-N 2.9Å; M66-A69 WeakPolarHBondContact O-CB 3.35Å; M66-A69 PolarHBondContact O-N 3.18Å; M66-A69 VanDerWaalsContact O-N 3.17Å; M66-Q70 WeakPolarHBondContact O-CG 3.47Å; M66-Q70 PolarHBondContact O-N 2.77Å; M66-I78 HydrophobicContact CE-CG2 4.3Å; M66-E82 WeakPolarHBondContact CE-OE1 2.9Å
67R96.7Very high95.8Very high61 Ų6165.3 Ų65.323%0.2332%0.32CS..Hα-helixtrans-60.3-42176.1-177.162.4178.2164.3-4.2111.5F20 E21 M23 N63 Y64 Q70 L71F20-R67 HydrophobicContact CB-CB 3.9Å; F20-R67 HydrophobicContact CB-CG 3.81Å; F20-R67 WeakPolarHBondContact O-CG 3.41Å; F20-R67 PolarHBondContact O-NE 3.2Å; E21-R67 PolarHBondContact O-NH2 3.19Å; E21-R67 VanDerWaalsContact O-NH2 3.12Å; M23-R67 HydrophobicContact CE-CB 3.94Å; M23-R67 HydrophobicContact CE-CG 3.43Å; M23-R67 VanDerWaalsContact CE-CG 3.43Å; M23-R67 PolarHBondContact O-NE 3.21Å; M23-R67 PolarHBondContact O-NH2 3.09Å; N63-R67 WeakPolarHBondContact O-CB 3.43Å; N63-R67 PolarHBondContact O-N 3.02Å; Y64-R67 PolarHBondContact O-N 3.33Å; R67-Q70 PolarHBondContact O-N 3.47Å; R67-L71 WeakPolarHBondContact O-CG 3.29Å; R67-L71 PolarHBondContact O-N 2.95Å; R67-L71 VanDerWaalsContact O-N 3.15Å
68T97Very high96.1Very high1 Ų158.9 Ų58.91%0.00629%0.29CS..Hα-helixtrans-63.2-42.6175.9-60.10000111.6V26 N44 Y64 F65 M66 L71 L72V26-T68 HydrophobicContact CB-CG2 4.49Å; V26-T68 HydrophobicContact CG1-CG2 3.59Å; V26-T68 HydrophobicContact CG2-CG2 4.01Å; N44-T68 HydrophobicContact CB-CG2 4.03Å; N44-T68 VanDerWaalsContact OD1-CG2 3.28Å; N44-T68 WeakPolarHBondContact OD1-CG2 3.48Å; Y64-T68 WeakPolarHBondContact O-CB 3.23Å; Y64-T68 PolarHBondContact O-N 3.01Å; Y64-T68 PolarHBondContact O-OG1 3.07Å; F65-T68 PolarHBondContact O-N 3.06Å; M66-T68 VanDerWaalsContact C-N 3.29Å; M66-T68 PolarHBondContact O-N 2.9Å; T68-L71 PolarHBondContact O-N 3.32Å; T68-L72 HydrophobicContact CG2-CD1 3.7Å; T68-L72 HydrophobicContact CG2-CG 4.49Å; T68-L72 WeakPolarHBondContact O-CG 3.37Å; T68-L72 PolarHBondContact O-N 2.82Å
69A97Very high96.4Very high0 Ų056 Ų560%028%0.276CS..Hα-helixtrans-62.2-45.3175.500000111.4N44 F45 F65 M66 L71 L72 C73N44-A69 HydrophobicContact CB-CB 4.29Å; F45-A69 HydrophobicContact CB-CB 4.25Å; F65-A69 WeakPolarHBondContact O-CB 3.25Å; F65-A69 PolarHBondContact O-N 2.95Å; M66-A69 WeakPolarHBondContact O-CB 3.35Å; M66-A69 PolarHBondContact O-N 3.18Å; M66-A69 VanDerWaalsContact O-N 3.17Å; A69-L71 VanDerWaalsContact C-N 3.27Å; A69-L71 PolarHBondContact O-N 3.38Å; A69-L72 PolarHBondContact O-N 3.38Å; A69-L72 VanDerWaalsContact O-N 3.17Å; A69-C73 WeakPolarHBondContact O-CB 3.3Å; A69-C73 PolarHBondContact O-N 3.13Å; A69-C73 PolarHBondContact O-SG 3.23Å; A69-C73 VanDerWaalsContact O-SG 3.35Å
70Q96.8Very high96.5Very high100 Ų10055.6 Ų55.647%0.46728%0.277SS..Hα-helixtrans-58.9-34.1176.8-72.7173.2-1800113.7M66 R67 I78M66-Q70 WeakPolarHBondContact O-CG 3.47Å; M66-Q70 PolarHBondContact O-N 2.77Å; R67-Q70 PolarHBondContact O-N 3.47Å; Q70-I78 HydrophobicContact CB-CD1 4.48Å; Q70-I78 HydrophobicContact CG-CD1 4.12Å
71L96.5Very high96.6Very high61 Ų6151.4 Ų51.432%0.31926%0.258SS..Hα-helixtrans-80.4-24.2178.6-69174.1000113.6M23 V26 R67 T68 A69M23-L71 HydrophobicContact CE-CD1 4.01Å; M23-L71 HydrophobicContact CG-CD1 4.2Å; V26-L71 HydrophobicContact CG2-CB 3.56Å; V26-L71 HydrophobicContact CG2-CD1 3.69Å; V26-L71 HydrophobicContact CG2-CG 4.3Å; R67-L71 WeakPolarHBondContact O-CG 3.29Å; R67-L71 PolarHBondContact O-N 2.95Å; R67-L71 VanDerWaalsContact O-N 3.15Å; T68-L71 PolarHBondContact O-N 3.32Å; A69-L71 VanDerWaalsContact C-N 3.27Å; A69-L71 PolarHBondContact O-N 3.38Å
72L96.3Very high96.7Very high51 Ų5154 Ų5427%0.26727%0.268SS..Hα-helixtrans-101.9-36.7-175.3-67.8170.6000113.6V26 K40 C41 T68 A69V26-L72 HydrophobicContact CB-CD2 4.31Å; V26-L72 HydrophobicContact CG1-CD1 4.36Å; V26-L72 HydrophobicContact CG2-CD1 4.44Å; V26-L72 HydrophobicContact CG2-CD2 4.16Å; V26-L72 HydrophobicContact CG2-CG 3.96Å; K40-L72 HydrophobicContact CB-CD1 4.16Å; K40-L72 HydrophobicContact CD-CD1 3.59Å; K40-L72 HydrophobicContact CD-CD2 4.16Å; K40-L72 HydrophobicContact CG-CD1 3.51Å; C41-L72 HydrophobicContact CB-CB 4.06Å; T68-L72 HydrophobicContact CG2-CD1 3.7Å; T68-L72 HydrophobicContact CG2-CG 4.49Å; T68-L72 WeakPolarHBondContact O-CG 3.37Å; T68-L72 PolarHBondContact O-N 2.82Å; A69-L72 PolarHBondContact O-N 3.38Å; A69-L72 VanDerWaalsContact O-N 3.17Å
73C97Very high96.8Very high10 Ų1060.6 Ų60.67%0.06829%0.293CS..SBendtrans-92.2145.1-171.4-58.60000111.1C41 A69 S75 I78C41-C73 VanDerWaalsContact C-SG 3.53Å; C41-C73 WeakPolarHBondContact CA-SG 3.46Å; C41-C73 HydrophobicContact CB-CB 4.17Å; C41-C73 WeakPolarHBondContact CB-SG 3.02Å; C41-C73 PolarHBondContact O-SG 3.01Å; C41-C73 WeakPolarHBondContact SG-CA 3.44Å; C41-C73 WeakPolarHBondContact SG-CB 3.39Å; C41-C73 CovalentContact SG-SG 2.02Å; C41-C73 PolarHBondContact SG-SG 3.28Å; A69-C73 WeakPolarHBondContact O-CB 3.3Å; A69-C73 PolarHBondContact O-N 3.13Å; A69-C73 PolarHBondContact O-SG 3.23Å; A69-C73 VanDerWaalsContact O-SG 3.35Å; C73-S75 PolarHBondContact O-N 3.48Å; C73-I78 HydrophobicContact CB-CD1 4.01Å; C73-I78 HydrophobicContact CB-CG1 3.87Å
74P97.5Very high96.8Very high63 Ų6359.3 Ų59.341%0.40929%0.285SS..  trans-56.7136.6162.2-21.233.2000110.4S76 W77 I78P74-S76 PolarHBondContact O-N 3.46Å; P74-W77 HydrophobicContact CB-CG 4.19Å; P74-W77 HydrophobicContact CG-CD2 4.21Å; P74-W77 HydrophobicContact CG-CG 4.21Å; P74-W77 WeakPolarHBondContact O-CB 3.41Å; P74-W77 PolarHBondContact O-N 2.7Å; P74-I78 PolarHBondContact O-N 3.18Å
75S96.3Very high96.8Very high82 Ų8257.4 Ų57.457%0.57328%0.281SS*.Hα-helixtrans-56-38.6-17959.30000112.7C73 W77 I78 E79C73-S75 PolarHBondContact O-N 3.48Å; S75-W77 PolarHBondContact O-N 2.83Å; S75-I78 PolarHBondContact O-N 2.98Å; S75-I78 VanDerWaalsContact O-N 3.09Å; S75-E79 WeakPolarHBondContact O-CG 3.44Å; S75-E79 PolarHBondContact O-N 3.46Å
76S97.6Very high96.7Very high66 Ų6661.7 Ų61.746%0.46230%0.302SS..Hα-helixtrans-61.2-26.1177.859.90000114P74 K80P74-S76 PolarHBondContact O-N 3.46Å; S76-K80 VanDerWaalsContact O-CB 3.3Å; S76-K80 WeakPolarHBondContact O-CB 2.99Å; S76-K80 PolarHBondContact O-N 3.24Å
77W97.1Very high96.7Very high106 Ų10665.8 Ų65.840%0.40232%0.324SS..Hα-helixtrans-76.4-41.7175.4-71.724.1000111T38 P74 S75 K80 W81T38-W77 HydrophobicContact CG2-CH2 3.96Å; T38-W77 HydrophobicContact CG2-CZ3 3.76Å; P74-W77 HydrophobicContact CB-CG 4.19Å; P74-W77 HydrophobicContact CG-CD2 4.21Å; P74-W77 HydrophobicContact CG-CG 4.21Å; P74-W77 WeakPolarHBondContact O-CB 3.41Å; P74-W77 PolarHBondContact O-N 2.7Å; S75-W77 PolarHBondContact O-N 2.83Å; W77-K80 PolarHBondContact O-N 3.47Å; W77-W81 HydrophobicContact CB-CE3 4.43Å; W77-W81 HydrophobicContact CB-CH2 4.27Å; W77-W81 HydrophobicContact CB-CZ2 4.41Å; W77-W81 HydrophobicContact CB-CZ3 4.28Å; W77-W81 HydrophobicContact CD2-CH2 4.49Å; W77-W81 HydrophobicContact CD2-CZ2 4.46Å; W77-W81 AromaticContact CE3-CH2 3.56Å; W77-W81 HydrophobicContact CE3-CH2 3.56Å; W77-W81 AromaticContact CE3-CZ2 3.7Å; W77-W81 HydrophobicContact CE3-CZ2 3.7Å; W77-W81 HydrophobicContact CE3-CZ3 4.49Å; W77-W81 HydrophobicContact CZ3-CH2 4.26Å; W77-W81 HydrophobicContact CZ3-CZ2 4.31Å; W77-W81 VanDerWaalsContact O-CD2 3.3Å; W77-W81 VanDerWaalsContact O-CG 3.26Å; W77-W81 PolarHBondContact O-N 3.41Å
78I97.1Very high96.5Very high13 Ų1370.1 Ų70.17%0.06735%0.352CS..Hα-helixtrans-60.9-52.5176.1-62.2176.6000109.6F45 M66 Q70 C73 P74 S75 K80 W81 E82F45-I78 HydrophobicContact CD2-CG2 4.41Å; F45-I78 HydrophobicContact CE2-CG2 4.12Å; M66-I78 HydrophobicContact CE-CG2 4.3Å; Q70-I78 HydrophobicContact CB-CD1 4.48Å; Q70-I78 HydrophobicContact CG-CD1 4.12Å; C73-I78 HydrophobicContact CB-CD1 4.01Å; C73-I78 HydrophobicContact CB-CG1 3.87Å; P74-I78 PolarHBondContact O-N 3.18Å; S75-I78 PolarHBondContact O-N 2.98Å; S75-I78 VanDerWaalsContact O-N 3.09Å; I78-K80 PolarHBondContact O-N 3.01Å; I78-W81 PolarHBondContact O-N 3.36Å; I78-E82 HydrophobicContact CG2-CG 4.25Å; I78-E82 WeakPolarHBondContact O-CG 3.49Å; I78-E82 PolarHBondContact O-N 3.05Å
79E96.9Very high96.5Very high107 Ų10774.5 Ų74.550%0.538%0.378SS..Hα-helixtrans-59-34.7178.4-68.6168.7-160.900112.8S75 R83S75-E79 WeakPolarHBondContact O-CG 3.44Å; S75-E79 PolarHBondContact O-N 3.46Å; E79-R83 WeakPolarHBondContact O-CG 3.43Å; E79-R83 PolarHBondContact O-N 2.02Å; E79-R83 PolarHBondContact O-NE 3.26Å
80K97.1Very high96.3Very high103 Ų10375.6 Ų75.645%0.44838%0.384SS..Hα-helixtrans-67-50.8173.8178.5-176167.3-175.40110.5S76 W77 I78 E82 R83 E84S76-K80 VanDerWaalsContact O-CB 3.3Å; S76-K80 WeakPolarHBondContact O-CB 2.99Å; S76-K80 PolarHBondContact O-N 3.24Å; W77-K80 PolarHBondContact O-N 3.47Å; I78-K80 PolarHBondContact O-N 3.01Å; K80-E82 VanDerWaalsContact C-N 3.34Å; K80-E82 PolarHBondContact O-N 2.99Å; K80-R83 PolarHBondContact O-N 2.8Å; K80-E84 WeakPolarHBondContact CE-OE1 3.37Å; K80-E84 IonicContact NZ-OE1 3.69Å; K80-E84 WeakPolarHBondContact O-CG 3.38Å; K80-E84 PolarHBondContact O-N 3.06Å
81W96.9Very high96.2Very high17 Ų1775.8 Ų75.86%0.06439%0.394CS..Hα-helixtrans-67.7-33.5-177.4-65-35.2000112.8V42 F45 W77 I78 E84 V85 L90V42-W81 HydrophobicContact CB-CH2 4.38Å; V42-W81 HydrophobicContact CG2-CH2 3.61Å; V42-W81 HydrophobicContact CG2-CZ2 3.88Å; F45-W81 HydrophobicContact CB-CE3 4Å; F45-W81 HydrophobicContact CB-CZ3 4.03Å; F45-W81 HydrophobicContact CD1-CB 4Å; F45-W81 HydrophobicContact CD1-CD2 4.28Å; F45-W81 AromaticContact CD1-CE3 3.84Å; F45-W81 HydrophobicContact CD1-CE3 3.84Å; F45-W81 HydrophobicContact CD1-CG 4.39Å; F45-W81 HydrophobicContact CD2-CE3 4.04Å; F45-W81 HydrophobicContact CE1-CB 3.36Å; F45-W81 HydrophobicContact CE1-CE3 4.37Å; F45-W81 HydrophobicContact CE1-CG 4.19Å; F45-W81 HydrophobicContact CE2-CB 4.12Å; F45-W81 AromaticContact CG-CE3 3.66Å; F45-W81 HydrophobicContact CG-CE3 3.66Å; F45-W81 HydrophobicContact CG-CZ3 4.22Å; F45-W81 HydrophobicContact CZ-CB 3.42Å; F45-W81 VanDerWaalsContact CZ-CB 3.42Å; W77-W81 HydrophobicContact CB-CE3 4.43Å; W77-W81 HydrophobicContact CB-CH2 4.27Å; W77-W81 HydrophobicContact CB-CZ2 4.41Å; W77-W81 HydrophobicContact CB-CZ3 4.28Å; W77-W81 HydrophobicContact CD2-CH2 4.49Å; W77-W81 HydrophobicContact CD2-CZ2 4.46Å; W77-W81 AromaticContact CE3-CH2 3.56Å; W77-W81 HydrophobicContact CE3-CH2 3.56Å; W77-W81 AromaticContact CE3-CZ2 3.7Å; W77-W81 HydrophobicContact CE3-CZ2 3.7Å; W77-W81 HydrophobicContact CE3-CZ3 4.49Å; W77-W81 HydrophobicContact CZ3-CH2 4.26Å; W77-W81 HydrophobicContact CZ3-CZ2 4.31Å; W77-W81 VanDerWaalsContact O-CD2 3.3Å; W77-W81 VanDerWaalsContact O-CG 3.26Å; W77-W81 PolarHBondContact O-N 3.41Å; I78-W81 PolarHBondContact O-N 3.36Å; W81-E84 CarbonylContact O-C 3.42Å; W81-E84 PolarHBondContact O-N 3.36Å; W81-E84 VanDerWaalsContact O-N 3.13Å; W81-V85 VanDerWaalsContact O-CG2 3.29Å; W81-V85 WeakPolarHBondContact O-CG2 3.19Å; W81-V85 PolarHBondContact O-N 3.36Å; W81-L90 HydrophobicContact CB-CD1 4.05Å; W81-L90 HydrophobicContact CG-CD1 4.13Å
82E96.2Very high96.1Very high67 Ų6777.3 Ų77.331%0.31340%0.396SS..Hα-helixtrans-58.2-47.3172-74.3174.9155.900111F45 M66 I78 K80 E84 V85 E86F45-E82 HydrophobicContact CE2-CG 4.08Å; F45-E82 HydrophobicContact CZ-CG 4.19Å; M66-E82 WeakPolarHBondContact CE-OE1 2.9Å; I78-E82 HydrophobicContact CG2-CG 4.25Å; I78-E82 WeakPolarHBondContact O-CG 3.49Å; I78-E82 PolarHBondContact O-N 3.05Å; K80-E82 VanDerWaalsContact C-N 3.34Å; K80-E82 PolarHBondContact O-N 2.99Å; E82-E84 VanDerWaalsContact C-N 3.31Å; E82-E84 PolarHBondContact O-N 2.89Å; E82-V85 WeakPolarHBondContact O-CB 3.48Å; E82-V85 PolarHBondContact O-N 3.4Å; E82-E86 WeakPolarHBondContact O-CG 3.36Å; E82-E86 PolarHBondContact O-N 2.8Å
83R97.2Very high95.8Very high142 Ų14283.2 Ų83.254%0.53642%0.42SS..Hα-helixtrans-61.5-37.7172.7-70.5-179.2-69168.5-3112.6E79 K80 V85 N87E79-R83 WeakPolarHBondContact O-CG 3.43Å; E79-R83 PolarHBondContact O-N 2.02Å; E79-R83 PolarHBondContact O-NE 3.26Å; K80-R83 PolarHBondContact O-N 2.8Å; R83-V85 VanDerWaalsContact C-N 3.34Å; R83-N87 WeakPolarHBondContact O-CB 3.46Å; R83-N87 PolarHBondContact O-N 2.86Å; R83-N87 PolarHBondContact O-ND2 3.05Å
84E96.9Very high95.4Very high39 Ų3985.3 Ų85.318%0.18243%0.429CS..Hα-helixtrans-68.6-33.3177.1-70179.5169.800112.4K80 W81 E82 N88 V89 L90K80-E84 WeakPolarHBondContact CE-OE1 3.37Å; K80-E84 IonicContact NZ-OE1 3.69Å; K80-E84 WeakPolarHBondContact O-CG 3.38Å; K80-E84 PolarHBondContact O-N 3.06Å; W81-E84 CarbonylContact O-C 3.42Å; W81-E84 PolarHBondContact O-N 3.36Å; W81-E84 VanDerWaalsContact O-N 3.13Å; E82-E84 VanDerWaalsContact C-N 3.31Å; E82-E84 PolarHBondContact O-N 2.89Å; E84-N88 PolarHBondContact O-N 3.5Å; E84-N88 VanDerWaalsContact O-N 3.13Å; E84-V89 HydrophobicContact CB-CG2 3.89Å; E84-V89 HydrophobicContact CG-CG2 3.96Å; E84-V89 PolarHBondContact O-N 3.05Å; E84-L90 HydrophobicContact CB-CB 4.28Å; E84-L90 HydrophobicContact CB-CD1 3.95Å; E84-L90 PolarHBondContact O-N 3.32Å; E84-L90 WeakPolarHBondContact OE2-CD1 3.12Å
85V95.6Very high95.3Very high36 Ų3686.4 Ų86.422%0.21843%0.43CS..Hα-helixtrans-66.6-49172.6170.40000110.4F45 Q49 W81 E82 R83 N87 N88 L90 I94F45-V85 HydrophobicContact CE1-CG2 4.15Å; F45-V85 HydrophobicContact CZ-CG2 4.33Å; Q49-V85 HydrophobicContact CG-CG2 4.09Å; W81-V85 VanDerWaalsContact O-CG2 3.29Å; W81-V85 WeakPolarHBondContact O-CG2 3.19Å; W81-V85 PolarHBondContact O-N 3.36Å; E82-V85 WeakPolarHBondContact O-CB 3.48Å; E82-V85 PolarHBondContact O-N 3.4Å; R83-V85 VanDerWaalsContact C-N 3.34Å; V85-N87 VanDerWaalsContact C-N 3.27Å; V85-N87 PolarHBondContact O-N 3.13Å; V85-N88 PolarHBondContact O-N 3.13Å; V85-L90 HydrophobicContact CG2-CB 4.41Å; V85-L90 HydrophobicContact CG2-CD2 3.98Å; V85-I94 HydrophobicContact CG2-CD1 3.74Å
86E94.9Very high95.2Very high146 Ų14686.6 Ų86.668%0.68242%0.423SS*.Hα-helixtrans-57.8-40.3177.3-71.9172.2-178.900112.3E82 N88E82-E86 WeakPolarHBondContact O-CG 3.36Å; E82-E86 PolarHBondContact O-N 2.8Å; E86-N88 VanDerWaalsContact C-N 3.31Å; E86-N88 PolarHBondContact O-N 2.98Å
87N95.9Very high95.1Very high110 Ų11087.8 Ų87.859%0.58842%0.421SS*.THydrogen-bonded Turntrans-840.3179.2-69.5-58.8000113.9R83 V85 V89R83-N87 WeakPolarHBondContact O-CB 3.46Å; R83-N87 PolarHBondContact O-N 2.86Å; R83-N87 PolarHBondContact O-ND2 3.05Å; V85-N87 VanDerWaalsContact C-N 3.27Å; V85-N87 PolarHBondContact O-N 3.13Å; N87-V89 VanDerWaalsContact C-N 3.25Å; N87-V89 HydrophobicContact CB-CG1 4.41Å; N87-V89 HydrophobicContact CB-CG2 3.95Å; N87-V89 PolarHBondContact O-N 3.39Å
88N93.3Very high95Very high152 Ų15286.7 Ų86.781%0.81342%0.422SS*.THydrogen-bonded Turntrans56.134.3-176-59.8-81.2000114.1E84 V85 E86E84-N88 PolarHBondContact O-N 3.5Å; E84-N88 VanDerWaalsContact O-N 3.13Å; V85-N88 PolarHBondContact O-N 3.13Å; E86-N88 VanDerWaalsContact C-N 3.31Å; E86-N88 PolarHBondContact O-N 2.98Å
89V96.4Very high94.9Very high94 Ų9491.3 Ų91.357%0.5744%0.444SS*.  trans-115.26.2-178.7-62.70000113.5E84 N87E84-V89 HydrophobicContact CB-CG2 3.89Å; E84-V89 HydrophobicContact CG-CG2 3.96Å; E84-V89 PolarHBondContact O-N 3.05Å; N87-V89 VanDerWaalsContact C-N 3.25Å; N87-V89 HydrophobicContact CB-CG1 4.41Å; N87-V89 HydrophobicContact CB-CG2 3.95Å; N87-V89 PolarHBondContact O-N 3.39Å
90L94Very high94.7Very high22 Ų2290.3 Ų90.312%0.11544%0.44CS..  trans-60.9127.8178.4-167.577.4000110.3W81 E84 V85 Y92 I94W81-L90 HydrophobicContact CB-CD1 4.05Å; W81-L90 HydrophobicContact CG-CD1 4.13Å; E84-L90 HydrophobicContact CB-CB 4.28Å; E84-L90 HydrophobicContact CB-CD1 3.95Å; E84-L90 PolarHBondContact O-N 3.32Å; E84-L90 WeakPolarHBondContact OE2-CD1 3.12Å; V85-L90 HydrophobicContact CG2-CB 4.41Å; V85-L90 HydrophobicContact CG2-CD2 3.98Å; L90-Y92 HydrophobicContact CD1-CD2 4.02Å; L90-Y92 HydrophobicContact CD2-CD2 4.01Å; L90-Y92 HydrophobicContact CG-CD2 3.85Å; L90-Y92 PolarHBondContact O-N 3.29Å; L90-Y92 VanDerWaalsContact O-N 3.15Å; L90-I94 HydrophobicContact CB-CD1 4.42Å; L90-I94 HydrophobicContact CD2-CD1 3.26Å; L90-I94 HydrophobicContact CD2-CG1 3.84Å; L90-I94 HydrophobicContact CG-CD1 4.44Å
91P93.9Very high94.6Very high104 Ų10489.4 Ų89.468%0.67544%0.44SS*.SBendtrans-75.1-2-177.231.1-36.7000113.6
92Y93.6Very high94.4Very high94 Ų9494.9 Ų94.937%0.36947%0.469SS..SBendtrans-97.5144.5179.4-57-70.1000111V42 V46 L90 I94V42-Y92 HydrophobicContact CG1-CD1 4.29Å; V42-Y92 HydrophobicContact CG1-CD2 4.46Å; V42-Y92 HydrophobicContact CG1-CE1 3.68Å; V42-Y92 HydrophobicContact CG1-CE2 3.89Å; V42-Y92 VanDerWaalsContact CG1-CZ 3.45Å; V46-Y92 HydrophobicContact CG2-CD1 4.43Å; V46-Y92 HydrophobicContact CG2-CD2 3.94Å; V46-Y92 HydrophobicContact CG2-CG 3.77Å; L90-Y92 HydrophobicContact CD1-CD2 4.02Å; L90-Y92 HydrophobicContact CD2-CD2 4.01Å; L90-Y92 HydrophobicContact CG-CD2 3.85Å; L90-Y92 PolarHBondContact O-N 3.29Å; L90-Y92 VanDerWaalsContact O-N 3.15Å; Y92-I94 PolarHBondContact O-N 2.72Å
93K90.8Very high94.2Very high175 Ų17597.3 Ų97.376%0.76148%0.482SS*.  trans-70.3102.9173.7-174.6179.6-179.9-179.70110.2R50R50-K93 VanDerWaalsContact CZ-O 3.26Å; R50-K93 PolarHBondContact NE-O 2.86Å; R50-K93 PolarHBondContact NH2-O 3.15Å
94I88.6Confident94Very high53 Ų5393.2 Ų93.227%0.27248%0.477SS..  trans-89.70162.8-59.6167.7000109.1Q49 R50 R53 V85 L90 Y92Q49-I94 HydrophobicContact CB-CD1 3.71Å; Q49-I94 HydrophobicContact CB-CG1 3.89Å; Q49-I94 HydrophobicContact CB-CG2 3.83Å; Q49-I94 HydrophobicContact CG-CD1 4.05Å; R50-I94 HydrophobicContact CG-CG2 4.46Å; R53-I94 WeakPolarHBondContact CD-OXT 3.18Å; R53-I94 PolarHBondContact NH1-O 3.04Å; R53-I94 PolarHBondContact NH1-OXT 3.08Å; V85-I94 HydrophobicContact CG2-CD1 3.74Å; L90-I94 HydrophobicContact CB-CD1 4.42Å; L90-I94 HydrophobicContact CD2-CD1 3.26Å; L90-I94 HydrophobicContact CD2-CG1 3.84Å; L90-I94 HydrophobicContact CG-CD1 4.44Å; Y92-I94 PolarHBondContact O-N 2.72Å

Retrieved 94 of 94 residues in 32.3 ms (Link to these results)

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