A0A087XLR0_POEFO Loading...

Sulfotransferase

AlphaFold DB , UniProt , Accession A0A087XLR0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 339 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
1M91.2Very high91.2Very high31 Ų3121 Ų2115%0.15312%0.122CC..  01440169.9-168.4-96.400109.3V141 Q143 L144 L147 I160 I161 Q162 L163M1-V141 HydrophobicContact CE-CB 3.61Å; M1-V141 HydrophobicContact CE-CG1 3.23Å; M1-V141 WeakPolarHBondContact CE-O 3.33Å; M1-V141 HydrophobicContact CG-CB 4.48Å; M1-Q143 WeakPolarHBondContact CE-O 3.21Å; M1-L144 HydrophobicContact CE-CB 4.4Å; M1-L147 HydrophobicContact CE-CD1 4.13Å; M1-I160 HydrophobicContact CB-CG2 4.45Å; M1-I161 PolarHBondContact N-O 2.92Å; M1-I161 VanDerWaalsContact O-O 3.12Å; M1-Q162 WeakPolarHBondContact O-CA 3.44Å; M1-Q162 HydrophobicContact SD-CG 4.49Å; M1-L163 PolarHBondContact O-N 3.32Å
2A90Very high91.5Very high10 Ų1019.7 Ų19.78%0.08312%0.116CC..BIsolated β-bridgetrans-155.6173.1179.900000111.3T6 A138 V139 L163A2-T6 WeakPolarHBondContact CB-OG1 3.41Å; A2-A138 PolarHBondContact N-O 3.2Å; A2-V139 HydrophobicContact CB-CG1 3.94Å; A2-V139 WeakPolarHBondContact O-CA 3.47Å; A2-L163 HydrophobicContact CB-CB 4.13Å; A2-L163 HydrophobicContact CB-CD1 4.48Å
3S88.8Confident91.8Very high19 Ų1919.9 Ų19.913%0.13312%0.116CC..  trans-108.3162.1159.973.50000110.6R5 T6S3-R5 PolarHBondContact O-N 3.39Å; S3-T6 WeakPolarHBondContact O-CG2 3.43Å; S3-T6 PolarHBondContact O-N 2.99Å; S3-T6 PolarHBondContact O-OG1 2.71Å; S3-T6 WeakPolarHBondContact OG-CG2 3.44Å
4T88.7Confident92.1Very high50 Ų5018.6 Ų18.631%0.30711%0.108SC..THydrogen-bonded Turntrans-58.6135.9178.255.60000110.7V139 R174T4-V139 HydrophobicContact CG2-CB 4.28Å; T4-V139 HydrophobicContact CG2-CG2 3.85Å; T4-R174 PolarHBondContact O-NE 3.07Å; T4-R174 PolarHBondContact O-NH2 2.76Å; T4-R174 PolarHBondContact OG1-NE 2.75Å; T4-R174 VanDerWaalsContact OG1-NE 3.08Å; T4-R174 PolarHBondContact OG1-NH2 3.33Å; T4-R174 VanDerWaalsContact OG1-NH2 3.12Å
5R90Very high92.4Very high52 Ų5218.5 Ų18.520%0.19611%0.106CC..THydrogen-bonded Turntrans75.619.1179.2-47.5-59.2-62.7171.6-2.6116.2S3 G7 R165 S173 R174 F178 I277S3-R5 PolarHBondContact O-N 3.39Å; R5-G7 VanDerWaalsContact C-N 3.34Å; R5-R165 WeakPolarHBondContact O-CD 3.17Å; R5-R165 PolarHBondContact O-NH1 3.21Å; R5-S173 PolarHBondContact NE-OG 3.06Å; R5-S173 PolarHBondContact NH2-OG 3.15Å; R5-R174 HydrophobicContact CG-CG 3.79Å; R5-F178 HydrophobicContact CG-CE2 4.45Å; R5-I277 PolarHBondContact NH1-O 3Å
6T90.6Very high92.6Very high0 Ų017.9 Ų17.90%010%0.102CC..SBendtrans-89.112.817154.40000114.5A2 S3 S8 R165 I170 Y234A2-T6 WeakPolarHBondContact CB-OG1 3.41Å; S3-T6 WeakPolarHBondContact O-CG2 3.43Å; S3-T6 PolarHBondContact O-N 2.99Å; S3-T6 PolarHBondContact O-OG1 2.71Å; S3-T6 WeakPolarHBondContact OG-CG2 3.44Å; T6-S8 VanDerWaalsContact C-N 3.27Å; T6-S8 PolarHBondContact O-N 3.46Å; T6-R165 HydrophobicContact CG2-CB 4Å; T6-I170 HydrophobicContact CG2-CD1 4.28Å; T6-Y234 WeakPolarHBondContact O-CD2 3.45Å
7G90.4Very high92.8Very high16 Ų1618.3 Ų18.317%0.16510%0.103CC..SBendtrans75.810.5-177.200000115.1R5 S9 F10 V11R5-G7 VanDerWaalsContact C-N 3.34Å; G7-S9 PolarHBondContact O-N 3.35Å; G7-S9 VanDerWaalsContact O-N 3.11Å; G7-F10 WeakPolarHBondContact O-CA 3.39Å; G7-F10 WeakPolarHBondContact O-CB 3.37Å; G7-F10 PolarHBondContact O-N 3.13Å; G7-V11 PolarHBondContact O-N 3.02Å; G7-V11 VanDerWaalsContact O-N 3.13Å
8S93.3Very high92.9Very high7 Ų718.1 Ų18.15%0.04910%0.101CC..Hα-helixtrans-57.8-25.6179.857.40000115.3T6 G12 K137 L163T6-S8 VanDerWaalsContact C-N 3.27Å; T6-S8 PolarHBondContact O-N 3.46Å; S8-G12 PolarHBondContact O-N 3.11Å; S8-K137 VanDerWaalsContact C-CE 3.5Å; S8-K137 WeakPolarHBondContact O-CD 3.49Å; S8-K137 WeakPolarHBondContact OG-CE 3.38Å; S8-L163 VanDerWaalsContact CA-CD1 3.49Å
9S92.6Very high92.6Very high17 Ų1717.9 Ų17.912%0.11910%0.103CC..Hα-helixtrans-66.6-39.6170.8-580000112.3G7 G12 E13 F26 K137G7-S9 PolarHBondContact O-N 3.35Å; G7-S9 VanDerWaalsContact O-N 3.11Å; S9-G12 PolarHBondContact O-N 3.34Å; S9-E13 PolarHBondContact O-N 2.73Å; S9-F26 WeakPolarHBondContact OG-CZ 3.41Å; S9-K137 PolarHBondContact OG-NZ 3.39Å
10F92.1Very high92.4Very high21 Ų2124.7 Ų24.79%0.09213%0.134CC..Hα-helixtrans-71.1-43.8179.8178.5-118000111.2G7 G12 E13 F14 I237 P241 W263 T268 T280G7-F10 WeakPolarHBondContact O-CA 3.39Å; G7-F10 WeakPolarHBondContact O-CB 3.37Å; G7-F10 PolarHBondContact O-N 3.13Å; F10-G12 VanDerWaalsContact C-N 3.31Å; F10-G12 PolarHBondContact O-N 3.43Å; F10-E13 WeakPolarHBondContact O-CB 3.36Å; F10-E13 PolarHBondContact O-N 3.27Å; F10-E13 VanDerWaalsContact O-N 3.16Å; F10-F14 HydrophobicContact CD1-CE1 4.07Å; F10-F14 HydrophobicContact CD1-CZ 4.05Å; F10-F14 AromaticContact CE1-CE1 3.49Å; F10-F14 HydrophobicContact CE1-CE1 3.49Å; F10-F14 VanDerWaalsContact CE1-CE1 3.49Å; F10-F14 AromaticContact CE1-CZ 3.45Å; F10-F14 HydrophobicContact CE1-CZ 3.45Å; F10-F14 VanDerWaalsContact CE1-CZ 3.45Å; F10-F14 AromaticContact CE2-CE1 4Å; F10-F14 HydrophobicContact CE2-CE1 4Å; F10-F14 AromaticContact CZ-CE1 3.42Å; F10-F14 HydrophobicContact CZ-CE1 3.42Å; F10-F14 VanDerWaalsContact CZ-CE1 3.42Å; F10-F14 AromaticContact CZ-CZ 3.84Å; F10-F14 HydrophobicContact CZ-CZ 3.84Å; F10-F14 PolarHBondContact O-N 3.34Å; F10-I237 HydrophobicContact CD1-CG2 3.98Å; F10-I237 HydrophobicContact CE1-CG2 3.91Å; F10-P241 HydrophobicContact CE1-CB 4.42Å; F10-P241 HydrophobicContact CZ-CB 4.48Å; F10-W263 AromaticContact CD2-CH2 3.92Å; F10-W263 HydrophobicContact CD2-CH2 3.92Å; F10-W263 HydrophobicContact CD2-CZ3 4.16Å; F10-W263 AromaticContact CE2-CH2 3.82Å; F10-W263 HydrophobicContact CE2-CH2 3.82Å; F10-W263 AromaticContact CE2-CZ3 3.7Å; F10-W263 HydrophobicContact CE2-CZ3 3.7Å; F10-T268 HydrophobicContact CE1-CG2 4.29Å; F10-T268 HydrophobicContact CE2-CG2 4.01Å; F10-T268 HydrophobicContact CZ-CG2 3.34Å; F10-T280 HydrophobicContact CB-CG2 4.26Å; F10-T280 HydrophobicContact CD2-CG2 4.1Å
11V95.1Very high92.5Very high8 Ų826.1 Ų26.15%0.04814%0.144CC..Hα-helixtrans-63.7-37.4173.2177.30000111.7G7 E13 F14 F15 L163 I237 M248G7-V11 PolarHBondContact O-N 3.02Å; G7-V11 VanDerWaalsContact O-N 3.13Å; V11-E13 PolarHBondContact O-N 3.1Å; V11-F14 HydrophobicContact CG1-CD2 4.41Å; V11-F14 VanDerWaalsContact O-CB 3.24Å; V11-F14 WeakPolarHBondContact O-CB 3.46Å; V11-F14 PolarHBondContact O-N 2.67Å; V11-F15 HydrophobicContact CG1-CE2 4.23Å; V11-F15 WeakPolarHBondContact O-CD2 3.41Å; V11-L163 HydrophobicContact CB-CD1 3.87Å; V11-L163 HydrophobicContact CG1-CD1 4.2Å; V11-L163 HydrophobicContact CG2-CD1 3.7Å; V11-L163 HydrophobicContact CG2-CD2 4.2Å; V11-I237 HydrophobicContact CG2-CD1 3.64Å; V11-I237 HydrophobicContact CG2-CG2 4.27Å; V11-M248 HydrophobicContact CG1-CE 4.21Å; V11-M248 HydrophobicContact CG1-SD 3.72Å; V11-M248 HydrophobicContact CG2-CE 4.34Å
12G95.7Very high92.8Very high5 Ų525 Ų255%0.05214%0.138CC..Hα-helixtrans-56.7-37.6174.300000112.6S8 S9 F10 F14 F15 N16 Y24S8-G12 PolarHBondContact O-N 3.11Å; S9-G12 PolarHBondContact O-N 3.34Å; F10-G12 VanDerWaalsContact C-N 3.31Å; F10-G12 PolarHBondContact O-N 3.43Å; G12-F14 VanDerWaalsContact C-N 3.31Å; G12-F14 PolarHBondContact O-N 2.9Å; G12-F15 PolarHBondContact O-N 3.17Å; G12-N16 WeakPolarHBondContact O-CB 3.31Å; G12-N16 PolarHBondContact O-N 3.28Å; G12-Y24 WeakPolarHBondContact CA-OH 3.5Å
13E94.9Very high93.2Very high23 Ų2324.7 Ų24.711%0.10714%0.135CC..Hα-helixtrans-68.5-26.2174.6-66.9-58.3148.200113.5S9 F10 V11 F15 N16 Q17 W263 T280S9-E13 PolarHBondContact O-N 2.73Å; F10-E13 WeakPolarHBondContact O-CB 3.36Å; F10-E13 PolarHBondContact O-N 3.27Å; F10-E13 VanDerWaalsContact O-N 3.16Å; V11-E13 PolarHBondContact O-N 3.1Å; E13-F15 PolarHBondContact O-N 2.84Å; E13-N16 PolarHBondContact O-N 2.92Å; E13-N16 PolarHBondContact OE2-ND2 2.83Å; E13-Q17 HydrophobicContact CB-CG 4.32Å; E13-Q17 VanDerWaalsContact O-CB 3.24Å; E13-Q17 WeakPolarHBondContact O-CB 3.37Å; E13-Q17 WeakPolarHBondContact O-CG 3.44Å; E13-Q17 PolarHBondContact O-N 3.46Å; E13-Q17 PolarHBondContact OE2-NE2 3.18Å; E13-W263 HydrophobicContact CB-CE3 4.39Å; E13-W263 HydrophobicContact CB-CH2 3.2Å; E13-W263 HydrophobicContact CB-CZ2 3.51Å; E13-W263 HydrophobicContact CB-CZ3 3.69Å; E13-W263 HydrophobicContact CG-CH2 3.74Å; E13-W263 HydrophobicContact CG-CZ2 3.71Å; E13-T280 HydrophobicContact CG-CG2 3.97Å
14F95.5Very high93.6Very high1 Ų124 Ų240%0.00413%0.129CC..Hα-helixtrans-54.4-43.5173-65.8-7.9000110.4F10 V11 G12 I237 P241 A245 M248 Y249 W263 I264F10-F14 HydrophobicContact CD1-CE1 4.07Å; F10-F14 HydrophobicContact CD1-CZ 4.05Å; F10-F14 AromaticContact CE1-CE1 3.49Å; F10-F14 HydrophobicContact CE1-CE1 3.49Å; F10-F14 VanDerWaalsContact CE1-CE1 3.49Å; F10-F14 AromaticContact CE1-CZ 3.45Å; F10-F14 HydrophobicContact CE1-CZ 3.45Å; F10-F14 VanDerWaalsContact CE1-CZ 3.45Å; F10-F14 AromaticContact CE2-CE1 4Å; F10-F14 HydrophobicContact CE2-CE1 4Å; F10-F14 AromaticContact CZ-CE1 3.42Å; F10-F14 HydrophobicContact CZ-CE1 3.42Å; F10-F14 VanDerWaalsContact CZ-CE1 3.42Å; F10-F14 AromaticContact CZ-CZ 3.84Å; F10-F14 HydrophobicContact CZ-CZ 3.84Å; F10-F14 PolarHBondContact O-N 3.34Å; V11-F14 HydrophobicContact CG1-CD2 4.41Å; V11-F14 VanDerWaalsContact O-CB 3.24Å; V11-F14 WeakPolarHBondContact O-CB 3.46Å; V11-F14 PolarHBondContact O-N 2.67Å; G12-F14 VanDerWaalsContact C-N 3.31Å; G12-F14 PolarHBondContact O-N 2.9Å; F14-I237 HydrophobicContact CE2-CG2 3.91Å; F14-I237 HydrophobicContact CZ-CG2 3.82Å; F14-P241 HydrophobicContact CZ-CB 4.34Å; F14-A245 HydrophobicContact CD2-CB 3.65Å; F14-A245 HydrophobicContact CE2-CB 3.75Å; F14-A245 HydrophobicContact CG-CB 4.15Å; F14-A245 HydrophobicContact CZ-CB 4.32Å; F14-M248 HydrophobicContact CD2-SD 4.23Å; F14-Y249 HydrophobicContact CB-CE2 4.47Å; F14-Y249 PolarHBondContact O-OH 3.45Å; F14-W263 HydrophobicContact CD1-CZ3 4.23Å; F14-W263 HydrophobicContact CE1-CZ3 4.42Å; F14-I264 HydrophobicContact CD1-CD1 3.67Å; F14-I264 HydrophobicContact CD1-CG1 3.62Å; F14-I264 HydrophobicContact CE1-CD1 3.91Å; F14-I264 HydrophobicContact CE1-CG1 3.68Å; F14-I264 HydrophobicContact CE1-CG2 4.46Å; F14-I264 HydrophobicContact CG-CD1 4.06Å; F14-I264 HydrophobicContact CG-CG1 4.48Å; F14-I264 HydrophobicContact CZ-CD1 4.49Å
15F97.1Very high94.1Very high18 Ų1822 Ų228%0.07912%0.117CC..Hα-helixtrans-81.4-46178.1-62.9-80.9000112.5V11 G12 E13 Q17 H18 M22 A135 I161 M248 Y249 A252 I254V11-F15 HydrophobicContact CG1-CE2 4.23Å; V11-F15 WeakPolarHBondContact O-CD2 3.41Å; G12-F15 PolarHBondContact O-N 3.17Å; E13-F15 PolarHBondContact O-N 2.84Å; F15-Q17 PolarHBondContact O-N 3.27Å; F15-Q17 VanDerWaalsContact O-N 3.12Å; F15-H18 WeakPolarHBondContact O-CB 3.41Å; F15-H18 PolarHBondContact O-N 3.13Å; F15-M22 HydrophobicContact CB-CE 4.14Å; F15-M22 HydrophobicContact CB-SD 4.4Å; F15-M22 HydrophobicContact CD1-CE 4.05Å; F15-M22 WeakPolarHBondContact O-CG 3.4Å; F15-A135 HydrophobicContact CB-CB 3.85Å; F15-A135 HydrophobicContact CG-CB 4.16Å; F15-I161 HydrophobicContact CE2-CD1 4.15Å; F15-I161 HydrophobicContact CZ-CD1 3.76Å; F15-M248 HydrophobicContact CZ-CB 4.25Å; F15-Y249 HydrophobicContact CD1-CE1 4.16Å; F15-Y249 HydrophobicContact CE1-CD1 4.47Å; F15-Y249 HydrophobicContact CE1-CE1 4.32Å; F15-A252 HydrophobicContact CE1-CB 4.5Å; F15-I254 HydrophobicContact CD1-CD1 4.44Å; F15-I254 HydrophobicContact CE1-CD1 4.34Å
16N96.3Very high94.4Very high8 Ų820.1 Ų20.14%0.04311%0.11CC..Hα-helixtrans-55.6-34.3-179.7-167.739000112.4G12 E13 H18 Y24 S88 L90G12-N16 WeakPolarHBondContact O-CB 3.31Å; G12-N16 PolarHBondContact O-N 3.28Å; E13-N16 PolarHBondContact O-N 2.92Å; E13-N16 PolarHBondContact OE2-ND2 2.83Å; N16-H18 VanDerWaalsContact C-N 3.26Å; N16-H18 PolarHBondContact O-N 2.92Å; N16-Y24 HydrophobicContact CB-CD1 3.62Å; N16-Y24 HydrophobicContact CB-CE1 4.15Å; N16-Y24 HydrophobicContact CB-CG 3.84Å; N16-Y24 VanDerWaalsContact CG-CD1 3.49Å; N16-Y24 WeakPolarHBondContact OD1-CD1 3.26Å; N16-S88 PolarHBondContact ND2-O 3.19Å; N16-L90 WeakPolarHBondContact O-CD1 3.33Å; N16-L90 PolarHBondContact OD1-N 2.93Å; N16-L90 VanDerWaalsContact OD1-N 3.09Å
17Q94.9Very high94.7Very high25 Ų2520.3 Ų20.312%0.11711%0.111CC..THydrogen-bonded Turntrans-853.7-179.3-57.4-67.4-26.500113.4E13 F15 G19 R259 A260 W263E13-Q17 HydrophobicContact CB-CG 4.32Å; E13-Q17 VanDerWaalsContact O-CB 3.24Å; E13-Q17 WeakPolarHBondContact O-CB 3.37Å; E13-Q17 WeakPolarHBondContact O-CG 3.44Å; E13-Q17 PolarHBondContact O-N 3.46Å; E13-Q17 PolarHBondContact OE2-NE2 3.18Å; F15-Q17 PolarHBondContact O-N 3.27Å; F15-Q17 VanDerWaalsContact O-N 3.12Å; Q17-G19 PolarHBondContact O-N 3.4Å; Q17-R259 WeakPolarHBondContact O-CD 3.26Å; Q17-R259 VanDerWaalsContact O-CG 3.27Å; Q17-R259 WeakPolarHBondContact O-CG 3.25Å; Q17-A260 PolarHBondContact O-N 2.91Å; Q17-W263 HydrophobicContact CB-CB 3.97Å; Q17-W263 HydrophobicContact CB-CD2 4.32Å; Q17-W263 HydrophobicContact CB-CG 3.93Å; Q17-W263 HydrophobicContact CG-CB 4.1Å; Q17-W263 HydrophobicContact CG-CD2 3.62Å; Q17-W263 HydrophobicContact CG-CE3 4.26Å; Q17-W263 HydrophobicContact CG-CG 3.49Å; Q17-W263 VanDerWaalsContact CG-CG 3.49Å
18H94.6Very high94.9Very high15 Ų1519.8 Ų19.87%0.06911%0.105CC..THydrogen-bonded Turntrans-58.1-37.5176.7-173.6-100000112.1F15 N16 T21 M22 Y249 P255 S257F15-H18 WeakPolarHBondContact O-CB 3.41Å; F15-H18 PolarHBondContact O-N 3.13Å; N16-H18 VanDerWaalsContact C-N 3.26Å; N16-H18 PolarHBondContact O-N 2.92Å; H18-T21 PolarHBondContact CE1-OG1 3.44Å; H18-T21 PolarHBondContact ND1-OG1 3.27Å; H18-M22 HydrophobicContact CB-CB 3.92Å; H18-M22 HydrophobicContact CB-CE 4.16Å; H18-M22 HydrophobicContact CB-CG 4.47Å; H18-Y249 WeakPolarHBondContact CB-OH 3.49Å; H18-Y249 AromaticContact CD2-CE1 3.41Å; H18-Y249 VanDerWaalsContact CD2-CE1 3.41Å; H18-Y249 WeakPolarHBondContact CD2-CE1 3.44Å; H18-Y249 AromaticContact CD2-CZ 3.82Å; H18-Y249 PolarHBondContact CD2-OH 2.83Å; H18-P255 PolarHBondContact CD2-O 2.86Å; H18-P255 PolarHBondContact NE2-O 3.28Å; H18-S257 WeakPolarHBondContact CA-OG 3.34Å; H18-S257 WeakPolarHBondContact O-CB 3.3Å; H18-S257 PolarHBondContact O-OG 2.82Å
19G88.1Confident95Very high14 Ų1419.4 Ų19.414%0.14410%0.102CC..  trans120-150.7175.300000112.7Q17 T21 M22Q17-G19 PolarHBondContact O-N 3.4Å; G19-T21 PolarHBondContact O-N 2.88Å; G19-T21 VanDerWaalsContact O-N 3.1Å; G19-M22 PolarHBondContact O-N 3.03Å
20E88Confident95.2Very high153 Ų15320.6 Ų20.672%0.71510%0.104SC*.THydrogen-bonded Turntrans-65.8-15-168-65.3179.1-179.300114.6K131E20-K131 WeakPolarHBondContact O-CD 3.43Å; E20-K131 VanDerWaalsContact O-CE 3.26Å; E20-K131 WeakPolarHBondContact O-CE 3.43Å; E20-K131 PolarHBondContact O-NZ 3.24Å
21T94.3Very high95.3Very high56 Ų5619.6 Ų19.634%0.34410%0.1SC..THydrogen-bonded Turntrans-93.3-2.8-178.850.30000113.9H18 G19 Q132 H133H18-T21 PolarHBondContact CE1-OG1 3.44Å; H18-T21 PolarHBondContact ND1-OG1 3.27Å; G19-T21 PolarHBondContact O-N 2.88Å; G19-T21 VanDerWaalsContact O-N 3.1Å; T21-Q132 PolarHBondContact O-N 2.8Å; T21-H133 PolarHBondContact O-N 3.3Å
22M97.4Very high95.2Very high8 Ų819.2 Ų19.24%0.03910%0.097CC..EExtended strand (participates in β ladder)trans-106.5132.9-177.4-178.366.862.300112.1F15 H18 G19 H133 A135 I254F15-M22 HydrophobicContact CB-CE 4.14Å; F15-M22 HydrophobicContact CB-SD 4.4Å; F15-M22 HydrophobicContact CD1-CE 4.05Å; F15-M22 WeakPolarHBondContact O-CG 3.4Å; H18-M22 HydrophobicContact CB-CB 3.92Å; H18-M22 HydrophobicContact CB-CE 4.16Å; H18-M22 HydrophobicContact CB-CG 4.47Å; G19-M22 PolarHBondContact O-N 3.03Å; M22-H133 CarbonylContact C-O 3.55Å; M22-H133 WeakPolarHBondContact CA-O 3.33Å; M22-H133 HydrophobicContact CE-CB 3.63Å; M22-H133 HydrophobicContact SD-CB 3.92Å; M22-A135 HydrophobicContact SD-CB 3.81Å; M22-I254 HydrophobicContact CE-CD1 4.07Å; M22-I254 HydrophobicContact CE-CG2 4.46Å
23F98.2Very high94.9Very high3 Ų321.2 Ų21.21%0.01311%0.105CC..EExtended strand (participates in β ladder)trans-106.7110.1164.3-162.9-98.1000110L25 F64 A91 L92 C128 K131 H133 H134 A135F23-L25 HydrophobicContact CD1-CG 4.2Å; F23-L25 HydrophobicContact CE1-CD1 4.05Å; F23-L25 HydrophobicContact CE1-CD2 3.68Å; F23-L25 HydrophobicContact CE1-CG 3.73Å; F23-L25 HydrophobicContact CZ-CD2 4.21Å; F23-F64 HydrophobicContact CE1-CE2 4.2Å; F23-F64 AromaticContact CE1-CZ 3.76Å; F23-F64 HydrophobicContact CE1-CZ 3.76Å; F23-F64 HydrophobicContact CZ-CE2 4.08Å; F23-F64 AromaticContact CZ-CZ 3.74Å; F23-F64 HydrophobicContact CZ-CZ 3.74Å; F23-A91 HydrophobicContact CD2-CB 3.59Å; F23-A91 HydrophobicContact CE2-CB 3.94Å; F23-A91 HydrophobicContact CG-CB 4.46Å; F23-L92 HydrophobicContact CE2-CD2 4.06Å; F23-L92 HydrophobicContact CZ-CD2 3.77Å; F23-L92 HydrophobicContact CZ-CG 4.5Å; F23-C128 HydrophobicContact CD1-CB 3.85Å; F23-C128 VanDerWaalsContact CD2-CA 3.41Å; F23-C128 HydrophobicContact CD2-CB 3.76Å; F23-C128 HydrophobicContact CE1-CB 3.74Å; F23-C128 HydrophobicContact CE2-CB 3.66Å; F23-C128 HydrophobicContact CG-CB 3.84Å; F23-C128 HydrophobicContact CZ-CB 3.64Å; F23-K131 HydrophobicContact CB-CB 3.84Å; F23-K131 HydrophobicContact CB-CG 3.65Å; F23-K131 HydrophobicContact CD2-CG 4.11Å; F23-K131 HydrophobicContact CG-CG 4.37Å; F23-H133 PolarHBondContact N-O 3.27Å; F23-H134 CarbonylContact O-C 3.56Å; F23-H134 WeakPolarHBondContact O-CA 3.45Å; F23-A135 PolarHBondContact O-N 2.9Å
24Y98.1Very high94.7Very high3 Ų323.3 Ų23.31%0.01211%0.112CC..EExtended strand (participates in β ladder)trans-110.3133.2-178.1172.8-106.9000111.8G12 N16 F26 S88 S89 A135 K137G12-Y24 WeakPolarHBondContact CA-OH 3.5Å; N16-Y24 HydrophobicContact CB-CD1 3.62Å; N16-Y24 HydrophobicContact CB-CE1 4.15Å; N16-Y24 HydrophobicContact CB-CG 3.84Å; N16-Y24 VanDerWaalsContact CG-CD1 3.49Å; N16-Y24 WeakPolarHBondContact OD1-CD1 3.26Å; Y24-F26 HydrophobicContact CE1-CB 4.05Å; Y24-F26 HydrophobicContact CE1-CD2 4.2Å; Y24-F26 WeakPolarHBondContact OH-CD2 3.49Å; Y24-S88 WeakPolarHBondContact CD1-O 3.09Å; Y24-S88 WeakPolarHBondContact CE1-O 3.34Å; Y24-S89 WeakPolarHBondContact O-CB 3.02Å; Y24-S89 PolarHBondContact O-OG 3.17Å; Y24-A135 CarbonylContact C-O 3.42Å; Y24-A135 VanDerWaalsContact CA-O 3.29Å; Y24-A135 WeakPolarHBondContact CA-O 3.4Å; Y24-A135 HydrophobicContact CD2-CB 3.95Å; Y24-A135 VanDerWaalsContact CD2-O 3.29Å; Y24-A135 WeakPolarHBondContact CD2-O 3.41Å; Y24-K137 HydrophobicContact CE2-CB 3.88Å; Y24-K137 WeakPolarHBondContact OH-CB 3.44Å; Y24-K137 WeakPolarHBondContact OH-CD 3.48Å
25L98.1Very high94.3Very high8 Ų826.5 Ų26.54%0.04213%0.129CC..EExtended strand (participates in β ladder)trans-118.2131172.7-66178.1000111.6F23 P28 L59 F64 L92 A135 I136 K137F23-L25 HydrophobicContact CD1-CG 4.2Å; F23-L25 HydrophobicContact CE1-CD1 4.05Å; F23-L25 HydrophobicContact CE1-CD2 3.68Å; F23-L25 HydrophobicContact CE1-CG 3.73Å; F23-L25 HydrophobicContact CZ-CD2 4.21Å; L25-P28 HydrophobicContact CB-CG 4.24Å; L25-P28 HydrophobicContact CD1-CG 4.43Å; L25-L59 HydrophobicContact CD1-CB 4.27Å; L25-L59 HydrophobicContact CD1-CD1 4.27Å; L25-L59 HydrophobicContact CD1-CD2 4.13Å; L25-L59 HydrophobicContact CD1-CG 4.47Å; L25-F64 HydrophobicContact CD1-CE1 4.19Å; L25-F64 HydrophobicContact CD1-CZ 4.04Å; L25-F64 HydrophobicContact CD2-CE1 4.25Å; L25-F64 HydrophobicContact CD2-CZ 4.12Å; L25-L92 HydrophobicContact CD2-CD1 3.84Å; L25-A135 PolarHBondContact N-O 2.72Å; L25-I136 HydrophobicContact CB-CG1 4.26Å; L25-I136 HydrophobicContact CB-CG2 4.48Å; L25-I136 HydrophobicContact CD1-CD1 4.27Å; L25-I136 HydrophobicContact CD1-CG1 4.39Å; L25-K137 PolarHBondContact O-N 3.44Å
26F97.1Very high93.6Very high13 Ų1327 Ų276%0.05713%0.132CC..EExtended strand (participates in β ladder)trans-97.9105.3177.5-167.9-71.6000110.5S9 Y24 F84 R85 K137S9-F26 WeakPolarHBondContact OG-CZ 3.41Å; Y24-F26 HydrophobicContact CE1-CB 4.05Å; Y24-F26 HydrophobicContact CE1-CD2 4.2Å; Y24-F26 WeakPolarHBondContact OH-CD2 3.49Å; F26-F84 HydrophobicContact CD1-CE1 4.4Å; F26-F84 HydrophobicContact CE1-CE1 4.4Å; F26-R85 HydrophobicContact CB-CB 4.09Å; F26-R85 HydrophobicContact CD1-CB 3.46Å; F26-R85 VanDerWaalsContact CD1-CB 3.46Å; F26-R85 HydrophobicContact CD1-CG 3.65Å; F26-R85 HydrophobicContact CE1-CB 4.09Å; F26-R85 HydrophobicContact CE1-CG 3.78Å; F26-R85 HydrophobicContact CG-CB 3.95Å; F26-K137 HydrophobicContact CD2-CD 3.88Å; F26-K137 HydrophobicContact CE2-CD 3.84Å; F26-K137 HydrophobicContact CG-CD 4.27Å; F26-K137 HydrophobicContact CZ-CD 4.21Å
27E96.6Very high92.9Very high4 Ų428.5 Ų28.52%0.01915%0.146CC..  trans53.350171.6-60.1-66.1153.800115.2L29 W30 F84 K137 A138 V139 R140E27-L29 PolarHBondContact O-N 2.96Å; E27-L29 VanDerWaalsContact O-N 3.16Å; E27-W30 VanDerWaalsContact O-CB 3.23Å; E27-W30 WeakPolarHBondContact O-CB 3.43Å; E27-W30 PolarHBondContact O-N 3.49Å; E27-F84 HydrophobicContact CB-CD1 3.98Å; E27-F84 HydrophobicContact CB-CE1 3.79Å; E27-F84 HydrophobicContact CG-CE1 4.48Å; E27-K137 WeakPolarHBondContact CA-O 3.14Å; E27-K137 HydrophobicContact CG-CD 4.31Å; E27-K137 PolarHBondContact N-O 3.48Å; E27-K137 WeakPolarHBondContact OE1-CE 3.48Å; E27-K137 IonicContact OE1-NZ 3.67Å; E27-A138 WeakPolarHBondContact OE1-CA 3.47Å; E27-V139 VanDerWaalsContact CD-N 3.26Å; E27-V139 WeakPolarHBondContact OE1-CG1 3.23Å; E27-V139 PolarHBondContact OE1-N 3.42Å; E27-V139 WeakPolarHBondContact OE2-CG2 3.43Å; E27-V139 PolarHBondContact OE2-N 2.94Å; E27-R140 IonicContact OE2-NH1 3.88Å; E27-R140 PolarHBondContact OE2-NH1 3.35Å
28P96Very high91.8Very high5 Ų530.7 Ų30.73%0.03216%0.161CC..THydrogen-bonded Turntrans-60.6-30-178.226.1-34.7000112.6L25 W30 H31 L59 L67 I136L25-P28 HydrophobicContact CB-CG 4.24Å; L25-P28 HydrophobicContact CD1-CG 4.43Å; P28-W30 PolarHBondContact O-N 2.95Å; P28-H31 PolarHBondContact O-N 3.43Å; P28-L59 HydrophobicContact CB-CD1 3.59Å; P28-L59 HydrophobicContact CG-CD1 3.66Å; P28-L67 HydrophobicContact CB-CD2 4.3Å; P28-I136 HydrophobicContact CG-CG2 3.68Å
29L95.4Very high90.5Very high0 Ų031.4 Ų31.40%017%0.17CC..THydrogen-bonded Turntrans-66.4-3.8175.9-62.4175.3000114.2E27 H31 V32 E33 Y52 I55 L56 A138 R140 V141E27-L29 PolarHBondContact O-N 2.96Å; E27-L29 VanDerWaalsContact O-N 3.16Å; L29-H31 PolarHBondContact O-N 2.88Å; L29-V32 HydrophobicContact CD2-CG2 4.12Å; L29-V32 PolarHBondContact O-N 3Å; L29-E33 PolarHBondContact O-N 3.09Å; L29-Y52 HydrophobicContact CB-CD1 4.1Å; L29-Y52 HydrophobicContact CB-CE1 4.34Å; L29-Y52 HydrophobicContact CD1-CD1 3.85Å; L29-Y52 HydrophobicContact CD2-CD1 3.92Å; L29-Y52 HydrophobicContact CG-CD1 4.15Å; L29-I55 HydrophobicContact CD2-CB 3.98Å; L29-I55 HydrophobicContact CD2-CG2 3.76Å; L29-L56 HydrophobicContact CD1-CD1 3.91Å; L29-L56 HydrophobicContact CD1-CD2 3.94Å; L29-L56 HydrophobicContact CD1-CG 3.9Å; L29-L56 HydrophobicContact CD2-CD2 4.49Å; L29-L56 HydrophobicContact CD2-CG 4.3Å; L29-L56 HydrophobicContact CG-CD2 4.19Å; L29-L56 HydrophobicContact CG-CG 4.36Å; L29-A138 HydrophobicContact CD1-CB 4.18Å; L29-R140 HydrophobicContact CB-CB 4.24Å; L29-R140 VanDerWaalsContact O-CD 3.23Å; L29-R140 WeakPolarHBondContact O-CD 3.41Å; L29-V141 HydrophobicContact CD1-CG2 3.76Å
30W95.1Very high89.2Confident41 Ų4132.5 Ų32.516%0.15518%0.178CC..Hα-helixtrans-57.3-39.7172.5-178.1104000112.4E27 P28 R34 F84E27-W30 VanDerWaalsContact O-CB 3.23Å; E27-W30 WeakPolarHBondContact O-CB 3.43Å; E27-W30 PolarHBondContact O-N 3.49Å; P28-W30 PolarHBondContact O-N 2.95Å; W30-R34 HydrophobicContact CE3-CB 4.43Å; W30-R34 VanDerWaalsContact CH2-CZ 3.45Å; W30-R34 VanDerWaalsContact CH2-NH1 3.35Å; W30-R34 VanDerWaalsContact CZ3-NE 3.31Å; W30-R34 VanDerWaalsContact O-CB 3.32Å; W30-R34 WeakPolarHBondContact O-CB 3.34Å; W30-R34 PolarHBondContact O-N 3.44Å; W30-F84 HydrophobicContact CB-CB 4.09Å; W30-F84 HydrophobicContact CB-CD1 3.41Å; W30-F84 VanDerWaalsContact CB-CD1 3.41Å; W30-F84 HydrophobicContact CB-CD2 4.37Å; W30-F84 HydrophobicContact CB-CE1 3.88Å; W30-F84 HydrophobicContact CB-CG 3.7Å; W30-F84 AromaticContact CD1-CD1 3.81Å; W30-F84 AromaticContact CD1-CD2 3.72Å; W30-F84 AromaticContact CD1-CE1 3.54Å; W30-F84 AromaticContact CD1-CE2 3.48Å; W30-F84 VanDerWaalsContact CD1-CE2 3.48Å; W30-F84 AromaticContact CD1-CG 3.9Å; W30-F84 AromaticContact CD1-CZ 3.38Å; W30-F84 HydrophobicContact CD2-CB 3.94Å; W30-F84 HydrophobicContact CD2-CD1 4.17Å; W30-F84 AromaticContact CD2-CD2 3.45Å; W30-F84 HydrophobicContact CD2-CD2 3.45Å; W30-F84 VanDerWaalsContact CD2-CD2 3.45Å; W30-F84 AromaticContact CD2-CE2 3.97Å; W30-F84 HydrophobicContact CD2-CE2 3.97Å; W30-F84 AromaticContact CD2-CG 3.58Å; W30-F84 HydrophobicContact CD2-CG 3.58Å; W30-F84 AromaticContact CE2-CD2 3.54Å; W30-F84 AromaticContact CE2-CE2 3.69Å; W30-F84 HydrophobicContact CE3-CB 3.62Å; W30-F84 AromaticContact CE3-CD2 3.81Å; W30-F84 HydrophobicContact CE3-CD2 3.81Å; W30-F84 AromaticContact CE3-CG 3.81Å; W30-F84 HydrophobicContact CE3-CG 3.81Å; W30-F84 HydrophobicContact CG-CB 4.13Å; W30-F84 AromaticContact CG-CD1 3.56Å; W30-F84 HydrophobicContact CG-CD1 3.56Å; W30-F84 AromaticContact CG-CD2 3.67Å; W30-F84 HydrophobicContact CG-CD2 3.67Å; W30-F84 AromaticContact CG-CE1 3.79Å; W30-F84 HydrophobicContact CG-CE1 3.79Å; W30-F84 AromaticContact CG-CE2 3.93Å; W30-F84 HydrophobicContact CG-CE2 3.93Å; W30-F84 AromaticContact CG-CG 3.5Å; W30-F84 HydrophobicContact CG-CG 3.5Å; W30-F84 AromaticContact CG-CZ 3.99Å; W30-F84 HydrophobicContact CG-CZ 3.99Å; W30-F84 HydrophobicContact CH2-CD2 4.24Å; W30-F84 AromaticContact CZ2-CD2 3.99Å; W30-F84 HydrophobicContact CZ2-CD2 3.99Å; W30-F84 HydrophobicContact CZ2-CE2 4.23Å; W30-F84 HydrophobicContact CZ3-CB 4.19Å; W30-F84 HydrophobicContact CZ3-CD2 4.16Å; W30-F84 HydrophobicContact CZ3-CG 4.48Å; W30-F84 AromaticContact NE1-CD2 3.77Å; W30-F84 AromaticContact NE1-CE2 3.45Å; W30-F84 AromaticContact NE1-CZ 3.77Å
31H94.4Very high87.8Confident0 Ų033.2 Ų33.20%018%0.181CC..Hα-helixtrans-63.9-44.5178.2-75.9-53.1000112.1P28 L29 R34 L35 L67 F70 D82 F84P28-H31 PolarHBondContact O-N 3.43Å; L29-H31 PolarHBondContact O-N 2.88Å; H31-R34 PolarHBondContact ND1-NH2 2.8Å; H31-R34 PolarHBondContact O-N 3.49Å; H31-L35 PolarHBondContact O-N 3.18Å; H31-L67 HydrophobicContact CB-CD1 4.19Å; H31-F70 HydrophobicContact CB-CB 3.86Å; H31-F70 WeakPolarHBondContact CB-O 3.27Å; H31-D82 PolarHBondContact CE1-O 3.41Å; H31-D82 PolarHBondContact NE2-O 3.44Å; H31-D82 VanDerWaalsContact NE2-O 3.08Å; H31-F84 PolarHBondContact NE2-N 2.92Å
32V93.2Very high86.1Confident0 Ų035.9 Ų35.90%020%0.197CC..Hα-helixtrans-59.3-53.3176.7-1760000110.5L29 R34 L35 L36 I51 Y52 I55 L67 F70L29-V32 HydrophobicContact CD2-CG2 4.12Å; L29-V32 PolarHBondContact O-N 3Å; V32-R34 PolarHBondContact O-N 2.86Å; V32-L35 PolarHBondContact O-N 3.23Å; V32-L36 HydrophobicContact CG1-CD1 3.67Å; V32-L36 HydrophobicContact CG1-CG 4.33Å; V32-L36 WeakPolarHBondContact O-CB 3.31Å; V32-L36 VanDerWaalsContact O-CG 3.25Å; V32-L36 WeakPolarHBondContact O-CG 3.43Å; V32-L36 PolarHBondContact O-N 2.93Å; V32-I51 HydrophobicContact CG1-CG2 3.84Å; V32-Y52 HydrophobicContact CB-CE1 4.15Å; V32-Y52 HydrophobicContact CG1-CD1 4.24Å; V32-Y52 HydrophobicContact CG1-CE1 3.88Å; V32-Y52 HydrophobicContact CG1-CE2 4.37Å; V32-I55 HydrophobicContact CG2-CG1 4.08Å; V32-I55 HydrophobicContact CG2-CG2 4.43Å; V32-L67 HydrophobicContact CG2-CD1 4.44Å; V32-F70 HydrophobicContact CB-CD1 4.24Å; V32-F70 HydrophobicContact CB-CG 4.38Å; V32-F70 HydrophobicContact CG1-CD1 4.22Å; V32-F70 HydrophobicContact CG1-CE1 4.12Å; V32-F70 HydrophobicContact CG2-CB 4.26Å; V32-F70 HydrophobicContact CG2-CD1 4.17Å; V32-F70 HydrophobicContact CG2-CD2 3.99Å; V32-F70 HydrophobicContact CG2-CE2 4.4Å; V32-F70 HydrophobicContact CG2-CG 3.87Å
33E90.5Very high83.9Confident47 Ų4741.3 Ų41.322%0.2223%0.226CC..Hα-helixtrans-64-38.6179.9-179.285-143.700111.9L29 A37 Y52 R140 R142L29-E33 PolarHBondContact O-N 3.09Å; E33-A37 WeakPolarHBondContact O-CB 3.44Å; E33-A37 PolarHBondContact O-N 3.46Å; E33-Y52 PolarHBondContact OE2-OH 3.48Å; E33-Y52 VanDerWaalsContact OE2-OH 3.09Å; E33-R140 HydrophobicContact CB-CG 4.32Å; E33-R140 HydrophobicContact CG-CG 4.45Å; E33-R142 VanDerWaalsContact CD-NH2 3.35Å; E33-R142 IonicContact OE1-NH2 3.26Å; E33-R142 PolarHBondContact OE1-NH2 3.25Å; E33-R142 IonicContact OE2-NH2 2.72Å; E33-R142 PolarHBondContact OE2-NH2 3.45Å
34R89.2Confident81.5Confident67 Ų6748.8 Ų48.825%0.25327%0.266SS..Hα-helixtrans-59.5-51.6177.4177.5174.767.5171.4-7.6110.8W30 H31 V32 T38 S72 D82W30-R34 HydrophobicContact CE3-CB 4.43Å; W30-R34 VanDerWaalsContact CH2-CZ 3.45Å; W30-R34 VanDerWaalsContact CH2-NH1 3.35Å; W30-R34 VanDerWaalsContact CZ3-NE 3.31Å; W30-R34 VanDerWaalsContact O-CB 3.32Å; W30-R34 WeakPolarHBondContact O-CB 3.34Å; W30-R34 PolarHBondContact O-N 3.44Å; H31-R34 PolarHBondContact ND1-NH2 2.8Å; H31-R34 PolarHBondContact O-N 3.49Å; V32-R34 PolarHBondContact O-N 2.86Å; R34-T38 WeakPolarHBondContact O-CG2 3.23Å; R34-T38 PolarHBondContact O-N 3.48Å; R34-T38 PolarHBondContact O-OG1 3.32Å; R34-S72 PolarHBondContact NH2-O 2.96Å; R34-S72 VanDerWaalsContact NH2-O 3.14Å; R34-D82 IonicContact CZ-OD2 2.66Å; R34-D82 IonicContact NH1-OD2 3.16Å; R34-D82 PolarHBondContact NH1-OD2 2.91Å; R34-D82 IonicContact NH2-OD2 3.2Å; R34-D82 PolarHBondContact NH2-OD2 3.42Å; R34-D82 VanDerWaalsContact NH2-OD2 3.14Å
35L86.8Confident79.1Confident68 Ų6851.2 Ų51.236%0.35628%0.284SS..Hα-helixtrans-67.8-42.6-177.4-171.370.7000111.4H31 V32 T38 A39 F70H31-L35 PolarHBondContact O-N 3.18Å; V32-L35 PolarHBondContact O-N 3.23Å; L35-T38 WeakPolarHBondContact CA-OG1 3.4Å; L35-T38 PolarHBondContact O-N 3.29Å; L35-T38 PolarHBondContact O-OG1 3.06Å; L35-A39 WeakPolarHBondContact O-CB 3.23Å; L35-A39 PolarHBondContact O-N 3.46Å; L35-F70 HydrophobicContact CB-CD1 4.28Å; L35-F70 HydrophobicContact CD2-CD1 3.76Å; L35-F70 HydrophobicContact CD2-CE1 4.36Å
36L84.3Confident77Confident28 Ų2857.1 Ų57.115%0.14732%0.32CS..Hα-helixtrans-68.8-35.1179.8-67.1179.4000112.4V32 A39 A40 A47 Y52V32-L36 HydrophobicContact CG1-CD1 3.67Å; V32-L36 HydrophobicContact CG1-CG 4.33Å; V32-L36 WeakPolarHBondContact O-CB 3.31Å; V32-L36 VanDerWaalsContact O-CG 3.25Å; V32-L36 WeakPolarHBondContact O-CG 3.43Å; V32-L36 PolarHBondContact O-N 2.93Å; L36-A39 PolarHBondContact O-N 3.41Å; L36-A40 VanDerWaalsContact O-CB 3.25Å; L36-A40 WeakPolarHBondContact O-CB 3.43Å; L36-A40 PolarHBondContact O-N 3.03Å; L36-A47 HydrophobicContact CB-CB 4.45Å; L36-A47 HydrophobicContact CD1-CB 3.7Å; L36-Y52 HydrophobicContact CD1-CE2 4.24Å
37A79.9Confident74.9Confident41 Ų4158.6 Ų58.634%0.33934%0.335SS..Hα-helixtrans-62.7-45.5173.100000111.1E33 A39 A40 E41E33-A37 WeakPolarHBondContact O-CB 3.44Å; E33-A37 PolarHBondContact O-N 3.46Å; A37-A39 VanDerWaalsContact C-N 3.31Å; A37-A39 PolarHBondContact O-N 3.21Å; A37-A40 PolarHBondContact O-N 3.42Å; A37-E41 WeakPolarHBondContact O-CG 3.37Å; A37-E41 PolarHBondContact O-N 2.54Å; A37-E41 VanDerWaalsContact O-N 3.12Å
38T72.1Confident73.3Confident70 Ų7064.2 Ų64.243%0.42936%0.364SS..Hα-helixtrans-64.5-35.3175.452.30000112.5R34 L35 V42R34-T38 WeakPolarHBondContact O-CG2 3.23Å; R34-T38 PolarHBondContact O-N 3.48Å; R34-T38 PolarHBondContact O-OG1 3.32Å; L35-T38 WeakPolarHBondContact CA-OG1 3.4Å; L35-T38 PolarHBondContact O-N 3.29Å; L35-T38 PolarHBondContact O-OG1 3.06Å; T38-V42 WeakPolarHBondContact O-CG2 3.41Å; T38-V42 PolarHBondContact O-N 3.23Å
39A67Low71.8Confident31 Ų3167.4 Ų67.426%0.25639%0.385SS..Hα-helixtrans-74.3-36.217800000112.4L35 L36 A37 E41 V42 N43L35-A39 WeakPolarHBondContact O-CB 3.23Å; L35-A39 PolarHBondContact O-N 3.46Å; L36-A39 PolarHBondContact O-N 3.41Å; A37-A39 VanDerWaalsContact C-N 3.31Å; A37-A39 PolarHBondContact O-N 3.21Å; A39-E41 VanDerWaalsContact C-N 3.35Å; A39-V42 CarbonylContact O-C 3.58Å; A39-V42 PolarHBondContact O-N 3.31Å; A39-V42 VanDerWaalsContact O-N 3.1Å; A39-N43 PolarHBondContact O-N 2.75Å
40A61.4Low71Confident37 Ų3769.3 Ų69.331%0.30641%0.405SS..Hα-helixtrans-67.2-35.9176.700000111.9L36 A37 V42 N44L36-A40 VanDerWaalsContact O-CB 3.25Å; L36-A40 WeakPolarHBondContact O-CB 3.43Å; L36-A40 PolarHBondContact O-N 3.03Å; A37-A40 PolarHBondContact O-N 3.42Å; A40-V42 PolarHBondContact O-N 3.44Å; A40-N44 PolarHBondContact O-N 2.64Å; A40-N44 VanDerWaalsContact O-N 3.13Å
41E59.3Low70.6Confident167 Ų16769.5 Ų69.578%0.7841%0.409SS*.Hα-helixtrans-60.7-28170.1-73.9176.1-17900112.5A37 A39A37-E41 WeakPolarHBondContact O-CG 3.37Å; A37-E41 PolarHBondContact O-N 2.54Å; A37-E41 VanDerWaalsContact O-N 3.12Å; A39-E41 VanDerWaalsContact C-N 3.35Å
42V57.5Low70.5Confident112 Ų11270.6 Ų70.668%0.67941%0.413SS*.Hα-helixtrans-93.9-36.8-178.7178.90000112.6T38 A39 A40T38-V42 WeakPolarHBondContact O-CG2 3.41Å; T38-V42 PolarHBondContact O-N 3.23Å; A39-V42 CarbonylContact O-C 3.58Å; A39-V42 PolarHBondContact O-N 3.31Å; A39-V42 VanDerWaalsContact O-N 3.1Å; A40-V42 PolarHBondContact O-N 3.44Å
43N51.6Low70.4Confident122 Ų12271.1 Ų71.165%0.65242%0.418SS*.Hα-helixtrans-130.39.1-163.8-74.4-26.5000116.2A39 S45A39-N43 PolarHBondContact O-N 2.75Å; N43-S45 PolarHBondContact O-N 3.46Å
44N47.4Very low70.5Confident161 Ų16173.4 Ų73.486%0.86143%0.432SS*.  trans50.626.5-177.2-84.7-13.4000114A40 T46A40-N44 PolarHBondContact O-N 2.64Å; A40-N44 VanDerWaalsContact O-N 3.13Å; N44-T46 PolarHBondContact O-N 3.15Å
45S47.6Very low70.8Confident54 Ų5470.5 Ų70.538%0.37842%0.422SS..PPolyproline II helixtrans-81.7119.7-17862.40000110.5N43 A47N43-S45 PolarHBondContact O-N 3.46Å; S45-A47 PolarHBondContact O-N 2.95Å
46T53.5Low71.3Confident132 Ų13267.6 Ų67.681%0.8141%0.406SS*.PPolyproline II helixtrans-64.7116.5165.328.90000109.1N44 L48N44-T46 PolarHBondContact O-N 3.15Å; T46-L48 PolarHBondContact O-N 3.37Å
47A54.3Low71.9Confident44 Ų4469 Ų6936%0.36441%0.412SS..PPolyproline II helixtrans-52.5122.6171.700000109.6L36 S45 P49L36-A47 HydrophobicContact CB-CB 4.45Å; L36-A47 HydrophobicContact CD1-CB 3.7Å; S45-A47 PolarHBondContact O-N 2.95Å; A47-P49 VanDerWaalsContact O-CD 3.23Å; A47-P49 WeakPolarHBondContact O-CD 3.47Å
48L62.9Low72.7Confident121 Ų12167.6 Ų67.663%0.63440%0.401SS*.PPolyproline II helixtrans-70.5117177.8-70.6165.7000108.6T46 G50 I51T46-L48 PolarHBondContact O-N 3.37Å; L48-G50 PolarHBondContact O-N 3.42Å; L48-I51 HydrophobicContact CB-CD1 4.25Å; L48-I51 HydrophobicContact CB-CG1 4.26Å; L48-I51 PolarHBondContact O-N 2.97Å
49P64.6Low74Confident72 Ų7264.4 Ų64.447%0.46838%0.381SS..Hα-helixtrans-52.8-26.6179.4-28.236.6000113.8A47 I51 Y52 T146A47-P49 VanDerWaalsContact O-CD 3.23Å; A47-P49 WeakPolarHBondContact O-CD 3.47Å; P49-I51 VanDerWaalsContact C-N 3.31Å; P49-I51 PolarHBondContact O-N 3.42Å; P49-Y52 PolarHBondContact O-N 3.32Å; P49-T146 HydrophobicContact CB-CG2 4.01Å
50G77.6Confident75.5Confident41 Ų4164.9 Ų64.942%0.42338%0.377SS..Hα-helixtrans-57.3-36.5175.700000114.2L48 Y52 G53 D54L48-G50 PolarHBondContact O-N 3.42Å; G50-Y52 VanDerWaalsContact C-N 3.3Å; G50-Y52 PolarHBondContact O-N 3.33Å; G50-G53 WeakPolarHBondContact O-CA 3.4Å; G50-G53 PolarHBondContact O-N 3.23Å; G50-D54 PolarHBondContact O-N 2.97Å
51I88.2Confident77.2Confident45 Ų4566.8 Ų66.823%0.23138%0.382CS..Hα-helixtrans-60.1-41.5-177.2-62.4172.5000111.1V32 L48 P49 G53 D54 I55 F70V32-I51 HydrophobicContact CG1-CG2 3.84Å; L48-I51 HydrophobicContact CB-CD1 4.25Å; L48-I51 HydrophobicContact CB-CG1 4.26Å; L48-I51 PolarHBondContact O-N 2.97Å; P49-I51 VanDerWaalsContact C-N 3.31Å; P49-I51 PolarHBondContact O-N 3.42Å; I51-G53 VanDerWaalsContact C-N 3.3Å; I51-G53 PolarHBondContact O-N 3.44Å; I51-D54 PolarHBondContact O-N 3.49Å; I51-I55 HydrophobicContact CG2-CG1 4.29Å; I51-I55 VanDerWaalsContact O-CG1 3.25Å; I51-I55 WeakPolarHBondContact O-CG1 3.43Å; I51-I55 PolarHBondContact O-N 3.34Å; I51-F70 HydrophobicContact CG2-CE1 4.25Å; I51-F70 HydrophobicContact CG2-CE2 4.29Å; I51-F70 HydrophobicContact CG2-CZ 3.63Å
52Y91.1Very high79.1Confident22 Ų2259.1 Ų59.19%0.08635%0.347CS..Hα-helixtrans-64.4-38.5179.1-68.9-88.5000111.7L29 V32 E33 L36 P49 G50 L56 R140L29-Y52 HydrophobicContact CB-CD1 4.1Å; L29-Y52 HydrophobicContact CB-CE1 4.34Å; L29-Y52 HydrophobicContact CD1-CD1 3.85Å; L29-Y52 HydrophobicContact CD2-CD1 3.92Å; L29-Y52 HydrophobicContact CG-CD1 4.15Å; V32-Y52 HydrophobicContact CB-CE1 4.15Å; V32-Y52 HydrophobicContact CG1-CD1 4.24Å; V32-Y52 HydrophobicContact CG1-CE1 3.88Å; V32-Y52 HydrophobicContact CG1-CE2 4.37Å; E33-Y52 PolarHBondContact OE2-OH 3.48Å; E33-Y52 VanDerWaalsContact OE2-OH 3.09Å; L36-Y52 HydrophobicContact CD1-CE2 4.24Å; P49-Y52 PolarHBondContact O-N 3.32Å; G50-Y52 VanDerWaalsContact C-N 3.3Å; G50-Y52 PolarHBondContact O-N 3.33Å; Y52-L56 VanDerWaalsContact O-CG 3.26Å; Y52-L56 WeakPolarHBondContact O-CG 3.47Å; Y52-L56 PolarHBondContact O-N 3.5Å; Y52-L56 VanDerWaalsContact O-N 3.14Å; Y52-R140 HydrophobicContact CE1-CB 4.22Å
53G92Very high81Confident11 Ų1156.9 Ų56.911%0.11333%0.331CS..Hα-helixtrans-65.4-49.4175.800000111.9G50 I51 I55 L56 Q57G50-G53 WeakPolarHBondContact O-CA 3.4Å; G50-G53 PolarHBondContact O-N 3.23Å; I51-G53 VanDerWaalsContact C-N 3.3Å; I51-G53 PolarHBondContact O-N 3.44Å; G53-I55 VanDerWaalsContact C-N 3.34Å; G53-I55 PolarHBondContact O-N 3Å; G53-L56 PolarHBondContact O-N 2.96Å; G53-L56 VanDerWaalsContact O-N 3.12Å; G53-Q57 WeakPolarHBondContact O-CB 3.5Å; G53-Q57 PolarHBondContact O-N 2.82Å
54D92.3Very high83.2Confident96 Ų9651.2 Ų51.251%0.51330%0.3SS..Hα-helixtrans-60.1-43-179.1-60-18.7000111.6G50 I51 Q57 A58G50-D54 PolarHBondContact O-N 2.97Å; I51-D54 PolarHBondContact O-N 3.49Å; D54-Q57 PolarHBondContact O-N 3.1Å; D54-A58 WeakPolarHBondContact O-CB 3.23Å; D54-A58 PolarHBondContact O-N 2.68Å
55I96.1Very high85.6Confident6 Ų646.3 Ų46.33%0.03128%0.279CS..Hα-helixtrans-65.4-42176.1-64.6-55.1000111.2L29 V32 I51 G53 L59 P66 L67 F70L29-I55 HydrophobicContact CD2-CB 3.98Å; L29-I55 HydrophobicContact CD2-CG2 3.76Å; V32-I55 HydrophobicContact CG2-CG1 4.08Å; V32-I55 HydrophobicContact CG2-CG2 4.43Å; I51-I55 HydrophobicContact CG2-CG1 4.29Å; I51-I55 VanDerWaalsContact O-CG1 3.25Å; I51-I55 WeakPolarHBondContact O-CG1 3.43Å; I51-I55 PolarHBondContact O-N 3.34Å; G53-I55 VanDerWaalsContact C-N 3.34Å; G53-I55 PolarHBondContact O-N 3Å; I55-L59 HydrophobicContact CG2-CD1 3.78Å; I55-L59 HydrophobicContact CG2-CG 4.31Å; I55-L59 WeakPolarHBondContact O-CB 3.33Å; I55-L59 WeakPolarHBondContact O-CG 3.02Å; I55-L59 PolarHBondContact O-N 3.29Å; I55-P66 HydrophobicContact CD1-CB 3.37Å; I55-L67 HydrophobicContact CG2-CD1 4.05Å; I55-F70 HydrophobicContact CD1-CD2 4.29Å; I55-F70 HydrophobicContact CD1-CE2 3.89Å; I55-F70 HydrophobicContact CG1-CE2 4.23Å
56L96.9Very high87.9Confident7 Ų745.3 Ų45.34%0.03727%0.271CS..Hα-helixtrans-64.3-42.4176.8-73.5173.2000111.6L29 Y52 G53 L59 F60 I136 V141 L147 L150L29-L56 HydrophobicContact CD1-CD1 3.91Å; L29-L56 HydrophobicContact CD1-CD2 3.94Å; L29-L56 HydrophobicContact CD1-CG 3.9Å; L29-L56 HydrophobicContact CD2-CD2 4.49Å; L29-L56 HydrophobicContact CD2-CG 4.3Å; L29-L56 HydrophobicContact CG-CD2 4.19Å; L29-L56 HydrophobicContact CG-CG 4.36Å; Y52-L56 VanDerWaalsContact O-CG 3.26Å; Y52-L56 WeakPolarHBondContact O-CG 3.47Å; Y52-L56 PolarHBondContact O-N 3.5Å; Y52-L56 VanDerWaalsContact O-N 3.14Å; G53-L56 PolarHBondContact O-N 2.96Å; G53-L56 VanDerWaalsContact O-N 3.12Å; L56-L59 PolarHBondContact O-N 3.15Å; L56-F60 WeakPolarHBondContact O-CD2 3.37Å; L56-F60 PolarHBondContact O-N 3.11Å; L56-I136 HydrophobicContact CD2-CD1 4.14Å; L56-I136 HydrophobicContact CD2-CG2 3.84Å; L56-V141 HydrophobicContact CD1-CG2 3.79Å; L56-L147 HydrophobicContact CD1-CD2 3.69Å; L56-L150 HydrophobicContact CB-CD2 4.11Å
57Q96.6Very high90Very high57 Ų5739.1 Ų39.127%0.26623%0.233SC..Hα-helixtrans-59.4-51.2177.2-174.8-178.140.600111.1G53 D54 L59 F60 L61 L150 D153 L156G53-Q57 WeakPolarHBondContact O-CB 3.5Å; G53-Q57 PolarHBondContact O-N 2.82Å; D54-Q57 PolarHBondContact O-N 3.1Å; Q57-L59 VanDerWaalsContact C-N 3.32Å; Q57-L59 PolarHBondContact O-N 2.66Å; Q57-F60 PolarHBondContact O-N 2.8Å; Q57-L61 HydrophobicContact CG-CD1 4.12Å; Q57-L61 WeakPolarHBondContact O-CG 3.26Å; Q57-L61 PolarHBondContact O-N 2.89Å; Q57-L150 VanDerWaalsContact CA-CD1 3.48Å; Q57-L150 HydrophobicContact CB-CD1 3.85Å; Q57-L150 HydrophobicContact CG-CD1 4.29Å; Q57-D153 PolarHBondContact NE2-OD2 2.69Å; Q57-L156 HydrophobicContact CG-CD1 4.26Å
58A97.8Very high92Very high12 Ų1238.3 Ų38.310%0.09922%0.222CC..Hα-helixtrans-56.5-45.9176.400000111.8D54 F60 L61 C62 D63 P66D54-A58 WeakPolarHBondContact O-CB 3.23Å; D54-A58 PolarHBondContact O-N 2.68Å; A58-F60 PolarHBondContact O-N 3.47Å; A58-L61 CarbonylContact O-C 3.58Å; A58-L61 VanDerWaalsContact O-C 3.29Å; A58-L61 WeakPolarHBondContact O-CA 3.03Å; A58-L61 PolarHBondContact O-N 2.72Å; A58-L61 VanDerWaalsContact O-N 3.1Å; A58-C62 PolarHBondContact O-N 3.47Å; A58-C62 VanDerWaalsContact O-N 3.07Å; A58-D63 CarbonylContact C-O 3.6Å; A58-D63 VanDerWaalsContact C-O 3.32Å; A58-D63 HydrophobicContact CB-CB 4.34Å; A58-D63 WeakPolarHBondContact CB-O 3.32Å; A58-D63 PolarHBondContact O-N 2.81Å; A58-P66 HydrophobicContact CB-CB 4.36Å; A58-P66 HydrophobicContact CB-CG 3.75Å
59L98.3Very high93.5Very high2 Ų240.3 Ų40.31%0.0123%0.225CC..Hα-helixtrans-66.5-35.4179.9-69.2171.9000113.5L25 P28 I55 L56 Q57 L61 C62 F64 L67 I136L25-L59 HydrophobicContact CD1-CB 4.27Å; L25-L59 HydrophobicContact CD1-CD1 4.27Å; L25-L59 HydrophobicContact CD1-CD2 4.13Å; L25-L59 HydrophobicContact CD1-CG 4.47Å; P28-L59 HydrophobicContact CB-CD1 3.59Å; P28-L59 HydrophobicContact CG-CD1 3.66Å; I55-L59 HydrophobicContact CG2-CD1 3.78Å; I55-L59 HydrophobicContact CG2-CG 4.31Å; I55-L59 WeakPolarHBondContact O-CB 3.33Å; I55-L59 WeakPolarHBondContact O-CG 3.02Å; I55-L59 PolarHBondContact O-N 3.29Å; L56-L59 PolarHBondContact O-N 3.15Å; Q57-L59 VanDerWaalsContact C-N 3.32Å; Q57-L59 PolarHBondContact O-N 2.66Å; L59-L61 VanDerWaalsContact C-N 3.28Å; L59-C62 PolarHBondContact O-N 3.14Å; L59-C62 VanDerWaalsContact O-N 3.11Å; L59-F64 HydrophobicContact CD2-CD1 3.56Å; L59-F64 HydrophobicContact CD2-CD2 4.34Å; L59-F64 HydrophobicContact CD2-CE1 3.66Å; L59-F64 HydrophobicContact CD2-CE2 4.42Å; L59-F64 HydrophobicContact CD2-CG 3.94Å; L59-F64 HydrophobicContact CD2-CZ 4.11Å; L59-L67 HydrophobicContact CD2-CD2 4.23Å; L59-I136 HydrophobicContact CB-CD1 3.83Å
60F98.1Very high94.9Very high41 Ų4138.2 Ų38.218%0.1821%0.209CC..Hα-helixtrans-69.9-27.8172.9-84.1-65.1000112.4L56 Q57 A58 C62 H134 I136 L150 L156L56-F60 WeakPolarHBondContact O-CD2 3.37Å; L56-F60 PolarHBondContact O-N 3.11Å; Q57-F60 PolarHBondContact O-N 2.8Å; A58-F60 PolarHBondContact O-N 3.47Å; F60-C62 PolarHBondContact O-N 2.87Å; F60-H134 HydrophobicContact CD1-CB 4.03Å; F60-H134 HydrophobicContact CE1-CB 4.23Å; F60-I136 HydrophobicContact CD1-CD1 4.26Å; F60-I136 HydrophobicContact CD1-CG1 4.49Å; F60-I136 HydrophobicContact CD2-CD1 3.9Å; F60-I136 HydrophobicContact CE1-CD1 4.12Å; F60-I136 HydrophobicContact CE1-CG1 3.95Å; F60-I136 HydrophobicContact CE2-CB 4.39Å; F60-I136 HydrophobicContact CE2-CD1 3.75Å; F60-I136 HydrophobicContact CE2-CG1 4.16Å; F60-I136 HydrophobicContact CG-CD1 4.16Å; F60-I136 HydrophobicContact CZ-CB 3.98Å; F60-I136 HydrophobicContact CZ-CD1 3.86Å; F60-I136 HydrophobicContact CZ-CG1 3.77Å; F60-L150 HydrophobicContact CD2-CD1 3.9Å; F60-L150 HydrophobicContact CD2-CD2 4.04Å; F60-L150 HydrophobicContact CE2-CD2 3.95Å; F60-L156 HydrophobicContact CB-CD1 4.01Å; F60-L156 HydrophobicContact CB-CD2 3.9Å
61L98Very high95.7Very high77 Ų7736.5 Ų36.540%0.40319%0.19SC..THydrogen-bonded Turntrans-84.39.2169.6-64.7170.4000112.8Q57 A58 L59 D63 H155 L156Q57-L61 HydrophobicContact CG-CD1 4.12Å; Q57-L61 WeakPolarHBondContact O-CG 3.26Å; Q57-L61 PolarHBondContact O-N 2.89Å; A58-L61 CarbonylContact O-C 3.58Å; A58-L61 VanDerWaalsContact O-C 3.29Å; A58-L61 WeakPolarHBondContact O-CA 3.03Å; A58-L61 PolarHBondContact O-N 2.72Å; A58-L61 VanDerWaalsContact O-N 3.1Å; L59-L61 VanDerWaalsContact C-N 3.28Å; L61-D63 VanDerWaalsContact C-N 3.25Å; L61-D63 PolarHBondContact O-N 3.1Å; L61-H155 HydrophobicContact CD2-CB 4.06Å; L61-L156 HydrophobicContact CD2-CD2 3.6Å; L61-L156 HydrophobicContact CD2-CG 4.09Å; L61-L156 HydrophobicContact CG-CD1 4.47Å; L61-L156 HydrophobicContact CG-CD2 4.03Å; L61-L156 HydrophobicContact CG-CG 4.43Å
62C98.4Very high95.9Very high7 Ų737.4 Ų37.45%0.04720%0.2CC..THydrogen-bonded Turntrans6125.5-179.7-59.20000115.3A58 L59 F60 S125 C128 L129A58-C62 PolarHBondContact O-N 3.47Å; A58-C62 VanDerWaalsContact O-N 3.07Å; L59-C62 PolarHBondContact O-N 3.14Å; L59-C62 VanDerWaalsContact O-N 3.11Å; F60-C62 PolarHBondContact O-N 2.87Å; C62-S125 WeakPolarHBondContact O-CB 3.46Å; C62-S125 PolarHBondContact O-OG 2.88Å; C62-C128 WeakPolarHBondContact CA-SG 3.14Å; C62-C128 HydrophobicContact CB-CB 3.53Å; C62-C128 WeakPolarHBondContact CB-SG 3.38Å; C62-C128 WeakPolarHBondContact SG-CB 3.29Å; C62-C128 PolarHBondContact SG-O 3.02Å; C62-C128 CovalentContact SG-SG 2.04Å; C62-C128 PolarHBondContact SG-SG 3.07Å; C62-L129 HydrophobicContact CB-CD2 3.73Å; C62-L129 HydrophobicContact CB-CG 3.68Å; C62-L129 PolarHBondContact SG-N 2.9Å; C62-L129 VanDerWaalsContact SG-N 3.41Å
63D98.1Very high95.9Very high65 Ų6540.3 Ų40.335%0.34822%0.222SC..  trans-100.4111170.7179.917.4000111A58 L61 S65 P66A58-D63 CarbonylContact C-O 3.6Å; A58-D63 VanDerWaalsContact C-O 3.32Å; A58-D63 HydrophobicContact CB-CB 4.34Å; A58-D63 WeakPolarHBondContact CB-O 3.32Å; A58-D63 PolarHBondContact O-N 2.81Å; L61-D63 VanDerWaalsContact C-N 3.25Å; L61-D63 PolarHBondContact O-N 3.1Å; D63-S65 WeakPolarHBondContact OD1-CB 3.24Å; D63-S65 PolarHBondContact OD1-N 3.47Å; D63-S65 PolarHBondContact OD1-OG 3.31Å; D63-P66 WeakPolarHBondContact OD2-CD 3.41Å
64F98.1Very high96Very high2 Ų243.8 Ų43.81%0.00925%0.245CC..  trans-87.7-11.6177.4-77-100.3000113.6F23 L25 L59 L67 E68 L121 A124 S125F23-F64 HydrophobicContact CE1-CE2 4.2Å; F23-F64 AromaticContact CE1-CZ 3.76Å; F23-F64 HydrophobicContact CE1-CZ 3.76Å; F23-F64 HydrophobicContact CZ-CE2 4.08Å; F23-F64 AromaticContact CZ-CZ 3.74Å; F23-F64 HydrophobicContact CZ-CZ 3.74Å; L25-F64 HydrophobicContact CD1-CE1 4.19Å; L25-F64 HydrophobicContact CD1-CZ 4.04Å; L25-F64 HydrophobicContact CD2-CE1 4.25Å; L25-F64 HydrophobicContact CD2-CZ 4.12Å; L59-F64 HydrophobicContact CD2-CD1 3.56Å; L59-F64 HydrophobicContact CD2-CD2 4.34Å; L59-F64 HydrophobicContact CD2-CE1 3.66Å; L59-F64 HydrophobicContact CD2-CE2 4.42Å; L59-F64 HydrophobicContact CD2-CG 3.94Å; L59-F64 HydrophobicContact CD2-CZ 4.11Å; F64-L67 HydrophobicContact CD1-CD2 4.27Å; F64-L67 WeakPolarHBondContact O-CB 3.36Å; F64-L67 PolarHBondContact O-N 2.81Å; F64-E68 PolarHBondContact O-N 2.71Å; F64-L121 HydrophobicContact CB-CB 4.07Å; F64-L121 HydrophobicContact CB-CD2 4.35Å; F64-L121 HydrophobicContact CD1-CD2 3.86Å; F64-L121 HydrophobicContact CG-CD2 4.29Å; F64-A124 HydrophobicContact CD2-CB 4.48Å; F64-A124 HydrophobicContact CE2-CB 4.14Å; F64-A124 HydrophobicContact CZ-CB 4.23Å; F64-S125 WeakPolarHBondContact CD2-OG 3.45Å
65S96.9Very high96.2Very high58 Ų5840.1 Ų40.141%0.40623%0.226SC..Hα-helixtrans-56.4-40.7-172.3-41.20000113.2D63 L67 E68D63-S65 WeakPolarHBondContact OD1-CB 3.24Å; D63-S65 PolarHBondContact OD1-N 3.47Å; D63-S65 PolarHBondContact OD1-OG 3.31Å; S65-L67 VanDerWaalsContact C-N 3.3Å; S65-L67 PolarHBondContact O-N 3.07Å; S65-E68 WeakPolarHBondContact O-CB 3.34Å; S65-E68 PolarHBondContact O-N 3.11Å
66P96.3Very high96.1Very high34 Ų3446.3 Ų46.322%0.22126%0.255CS..Hα-helixtrans-64-32.8176-27.539.9000113.6I55 A58 D63 E68 F70I55-P66 HydrophobicContact CD1-CB 3.37Å; A58-P66 HydrophobicContact CB-CB 4.36Å; A58-P66 HydrophobicContact CB-CG 3.75Å; D63-P66 WeakPolarHBondContact OD2-CD 3.41Å; P66-E68 VanDerWaalsContact C-N 3.33Å; P66-F70 WeakPolarHBondContact O-CD2 3.29Å
67L96.8Very high96.1Very high2 Ų252.9 Ų52.91%0.0129%0.29CS..Hα-helixtrans-69.6-31.4-179.7-177.865.3000111.8P28 H31 V32 I55 L59 F64 S65 K69 F70 I71 L83P28-L67 HydrophobicContact CB-CD2 4.3Å; H31-L67 HydrophobicContact CB-CD1 4.19Å; V32-L67 HydrophobicContact CG2-CD1 4.44Å; I55-L67 HydrophobicContact CG2-CD1 4.05Å; L59-L67 HydrophobicContact CD2-CD2 4.23Å; F64-L67 HydrophobicContact CD1-CD2 4.27Å; F64-L67 WeakPolarHBondContact O-CB 3.36Å; F64-L67 PolarHBondContact O-N 2.81Å; S65-L67 VanDerWaalsContact C-N 3.3Å; S65-L67 PolarHBondContact O-N 3.07Å; L67-K69 PolarHBondContact O-N 3.42Å; L67-K69 VanDerWaalsContact O-N 3.13Å; L67-F70 PolarHBondContact O-N 2.04Å; L67-I71 HydrophobicContact CG-CD1 4.38Å; L67-I71 HydrophobicContact CG-CG1 4.46Å; L67-L83 HydrophobicContact CD2-CD1 4.16Å
68E96.4Very high96.1Very high27 Ų2754 Ų5413%0.12630%0.295CS..Hα-helixtrans-54.7-34.8-177.4-66.3-169.9-145.400113.4F64 S65 P66 F70 I71 P75 H78 L121F64-E68 PolarHBondContact O-N 2.71Å; S65-E68 WeakPolarHBondContact O-CB 3.34Å; S65-E68 PolarHBondContact O-N 3.11Å; P66-E68 VanDerWaalsContact C-N 3.33Å; E68-F70 PolarHBondContact O-N 3.24Å; E68-F70 VanDerWaalsContact O-N 3.1Å; E68-I71 PolarHBondContact O-N 3.25Å; E68-I71 VanDerWaalsContact O-N 3.14Å; E68-P75 HydrophobicContact CB-CG 3.94Å; E68-P75 HydrophobicContact CG-CG 4.01Å; E68-P75 WeakPolarHBondContact O-CD 3.41Å; E68-H78 IonicContact OE1-CE1 2.94Å; E68-H78 IonicContact OE1-CG 3.57Å; E68-H78 IonicContact OE1-ND1 3.14Å; E68-H78 PolarHBondContact OE1-ND1 2.9Å; E68-H78 IonicContact OE2-ND1 3.24Å; E68-H78 PolarHBondContact OE2-ND1 3.09Å; E68-L121 HydrophobicContact CG-CD1 3.42Å; E68-L121 VanDerWaalsContact CG-CD1 3.42Å
69K94.4Very high96Very high162 Ų16255.7 Ų55.770%0.70430%0.304SS*.THydrogen-bonded Turntrans-60.9-19.9177.9-61.2176.3-175.3173.50113.2L67L67-K69 PolarHBondContact O-N 3.42Å; L67-K69 VanDerWaalsContact O-N 3.13Å
70F94.9Very high95.9Very high29 Ų2955.6 Ų55.613%0.12730%0.304CS..THydrogen-bonded Turntrans-105-7.5-177.4-58.3-83.3000113.2H31 V32 L35 I51 I55 P66 L67 E68H31-F70 HydrophobicContact CB-CB 3.86Å; H31-F70 WeakPolarHBondContact CB-O 3.27Å; V32-F70 HydrophobicContact CB-CD1 4.24Å; V32-F70 HydrophobicContact CB-CG 4.38Å; V32-F70 HydrophobicContact CG1-CD1 4.22Å; V32-F70 HydrophobicContact CG1-CE1 4.12Å; V32-F70 HydrophobicContact CG2-CB 4.26Å; V32-F70 HydrophobicContact CG2-CD1 4.17Å; V32-F70 HydrophobicContact CG2-CD2 3.99Å; V32-F70 HydrophobicContact CG2-CE2 4.4Å; V32-F70 HydrophobicContact CG2-CG 3.87Å; L35-F70 HydrophobicContact CB-CD1 4.28Å; L35-F70 HydrophobicContact CD2-CD1 3.76Å; L35-F70 HydrophobicContact CD2-CE1 4.36Å; I51-F70 HydrophobicContact CG2-CE1 4.25Å; I51-F70 HydrophobicContact CG2-CE2 4.29Å; I51-F70 HydrophobicContact CG2-CZ 3.63Å; I55-F70 HydrophobicContact CD1-CD2 4.29Å; I55-F70 HydrophobicContact CD1-CE2 3.89Å; I55-F70 HydrophobicContact CG1-CE2 4.23Å; P66-F70 WeakPolarHBondContact O-CD2 3.29Å; L67-F70 PolarHBondContact O-N 2.04Å; E68-F70 PolarHBondContact O-N 3.24Å; E68-F70 VanDerWaalsContact O-N 3.1Å
71I95Very high95.7Very high4 Ų455.4 Ų55.42%0.02131%0.306CS..SBendtrans-83.4132.7178.6-57.6178.1000108.6L67 E68 P73 S74 P75 T80 L83 L121L67-I71 HydrophobicContact CG-CD1 4.38Å; L67-I71 HydrophobicContact CG-CG1 4.46Å; E68-I71 PolarHBondContact O-N 3.25Å; E68-I71 VanDerWaalsContact O-N 3.14Å; I71-P73 CarbonylContact C-O 3.56Å; I71-P73 CarbonylContact O-C 3.54Å; I71-S74 WeakPolarHBondContact O-CA 3.08Å; I71-S74 PolarHBondContact O-N 3.47Å; I71-P75 HydrophobicContact CB-CG 4.09Å; I71-P75 HydrophobicContact CD1-CG 4.17Å; I71-P75 HydrophobicContact CG2-CG 4.29Å; I71-T80 HydrophobicContact CD1-CG2 4.2Å; I71-T80 HydrophobicContact CG2-CG2 4.49Å; I71-T80 WeakPolarHBondContact CG2-OG1 3.24Å; I71-L83 HydrophobicContact CD1-CD1 4.24Å; I71-L121 HydrophobicContact CD1-CD1 4.1Å
72S91.6Very high95.5Very high64 Ų6452.6 Ų52.645%0.44829%0.292SS..SBendtrans-129121.5179.2178.20000109.5R34 D82R34-S72 PolarHBondContact NH2-O 2.96Å; R34-S72 VanDerWaalsContact NH2-O 3.14Å; S72-D82 VanDerWaalsContact O-OD2 3.07Å
73P91.9Very high95.4Very high83 Ų8352.7 Ų52.754%0.53929%0.292SS..SBendcis-66.7154.90.429.4-35.7000113I71I71-P73 CarbonylContact C-O 3.56Å; I71-P73 CarbonylContact O-C 3.54Å
74S93.3Very high95.3Very high85 Ų8551.1 Ų51.159%0.59428%0.282SS*.PPolyproline II helixtrans-56.5134.8179.4-59.60000110.9I71I71-S74 WeakPolarHBondContact O-CA 3.08Å; I71-S74 PolarHBondContact O-N 3.47Å
75P96.1Very high95.1Very high18 Ų1853 Ų5312%0.11729%0.289CS..PPolyproline II helixtrans-56.2144175.5-24.735.1000112E68 I71 V79 L121E68-P75 HydrophobicContact CB-CG 3.94Å; E68-P75 HydrophobicContact CG-CG 4.01Å; E68-P75 WeakPolarHBondContact O-CD 3.41Å; I71-P75 HydrophobicContact CB-CG 4.09Å; I71-P75 HydrophobicContact CD1-CG 4.17Å; I71-P75 HydrophobicContact CG2-CG 4.29Å; P75-V79 VanDerWaalsContact CA-O 3.3Å; P75-V79 WeakPolarHBondContact CA-O 3.47Å; P75-L121 HydrophobicContact CG-CD1 4.27Å
76Q95.3Very high95Very high137 Ų13750.4 Ų50.464%0.6427%0.27SS*.BIsolated β-bridgetrans-110.8120.5175.7-65.8-62.8-37.700108.5H78 V79Q76-H78 PolarHBondContact O-N 2.93Å; Q76-V79 PolarHBondContact N-O 2.85Å; Q76-V79 WeakPolarHBondContact O-CB 3.46Å; Q76-V79 PolarHBondContact O-N 2.9Å
77N95.3Very high94.9Very high145 Ų14550.4 Ų50.478%0.77527%0.267SS*.THydrogen-bonded Turntrans48.746.6-173.4-57.8-40.1000112.2V79N77-V79 PolarHBondContact O-N 3.35Å; N77-V79 VanDerWaalsContact O-N 3.14Å
78H97Very high94.8Very high79 Ų7950.6 Ų50.637%0.36627%0.269SS..THydrogen-bonded Turntrans6310.5-175.9-51.9-72.5000115.6E68 Q76 L121E68-H78 IonicContact OE1-CE1 2.94Å; E68-H78 IonicContact OE1-CG 3.57Å; E68-H78 IonicContact OE1-ND1 3.14Å; E68-H78 PolarHBondContact OE1-ND1 2.9Å; E68-H78 IonicContact OE2-ND1 3.24Å; E68-H78 PolarHBondContact OE2-ND1 3.09Å; Q76-H78 PolarHBondContact O-N 2.93Å; H78-L121 HydrophobicContact CB-CB 4.37Å; H78-L121 WeakPolarHBondContact O-CB 3.16Å; H78-L121 WeakPolarHBondContact O-CG 3.4Å; H78-L121 PolarHBondContact O-N 3.41Å
79V96.4Very high94.8Very high48 Ų4849.4 Ų49.429%0.29126%0.263SS..EExtended strand (participates in β ladder)trans-101.6132.1178.7-177.40000110.9P75 Q76 N77 P118 L119 N120P75-V79 VanDerWaalsContact CA-O 3.3Å; P75-V79 WeakPolarHBondContact CA-O 3.47Å; Q76-V79 PolarHBondContact N-O 2.85Å; Q76-V79 WeakPolarHBondContact O-CB 3.46Å; Q76-V79 PolarHBondContact O-N 2.9Å; N77-V79 PolarHBondContact O-N 3.35Å; N77-V79 VanDerWaalsContact O-N 3.14Å; V79-P118 HydrophobicContact CG1-CB 3.59Å; V79-L119 CarbonylContact C-O 3.43Å; V79-L119 VanDerWaalsContact CA-O 3.32Å; V79-L119 WeakPolarHBondContact CA-O 3.35Å; V79-N120 HydrophobicContact CG2-CB 4.17Å
80T95.8Very high94.8Very high1 Ų143.2 Ų43.21%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-142.2139.5178.4-175.40000113.5I71 D82 L119 L121I71-T80 HydrophobicContact CD1-CG2 4.2Å; I71-T80 HydrophobicContact CG2-CG2 4.49Å; I71-T80 WeakPolarHBondContact CG2-OG1 3.24Å; T80-D82 PolarHBondContact OG1-N 2.98Å; T80-L119 PolarHBondContact N-O 2.94Å; T80-L119 PolarHBondContact O-N 2.87Å; T80-L121 HydrophobicContact CG2-CD1 4.22Å; T80-L121 HydrophobicContact CG2-CD2 4.49Å; T80-L121 HydrophobicContact CG2-CG 4.33Å
81P93.7Very high94.9Very high36 Ų3642 Ų4223%0.23423%0.234CC..SBendtrans-89.2-5.3171.135.9-35.3000113.9V105 E107P81-V105 HydrophobicContact CB-CG1 3.85Å; P81-V105 HydrophobicContact CG-CG1 4.32Å; P81-E107 HydrophobicContact CB-CG 3.79Å
82D94.2Very high95Very high18 Ų1842 Ų4210%0.09623%0.233CC..  trans-120.246.6-170-160.654.6000112.8H31 R34 S72 T80 F84 Y109H31-D82 PolarHBondContact CE1-O 3.41Å; H31-D82 PolarHBondContact NE2-O 3.44Å; H31-D82 VanDerWaalsContact NE2-O 3.08Å; R34-D82 IonicContact CZ-OD2 2.66Å; R34-D82 IonicContact NH1-OD2 3.16Å; R34-D82 PolarHBondContact NH1-OD2 2.91Å; R34-D82 IonicContact NH2-OD2 3.2Å; R34-D82 PolarHBondContact NH2-OD2 3.42Å; R34-D82 VanDerWaalsContact NH2-OD2 3.14Å; S72-D82 VanDerWaalsContact O-OD2 3.07Å; T80-D82 PolarHBondContact OG1-N 2.98Å; D82-F84 PolarHBondContact O-N 3.27Å; D82-Y109 WeakPolarHBondContact OD1-CE2 3.24Å
83L95.7Very high95.2Very high9 Ų939.6 Ų39.65%0.04722%0.216CC..  trans-79.5114.2167.1-172.367.5000110.2L67 I71 R85 R86 L92 Y109 L119L67-L83 HydrophobicContact CD2-CD1 4.16Å; I71-L83 HydrophobicContact CD1-CD1 4.24Å; L83-R85 PolarHBondContact O-N 3.12Å; L83-R85 VanDerWaalsContact O-N 3.14Å; L83-R86 HydrophobicContact CB-CB 4.32Å; L83-R86 PolarHBondContact O-N 2.88Å; L83-L92 HydrophobicContact CD2-CD1 3.67Å; L83-Y109 WeakPolarHBondContact O-CB 3.49Å; L83-Y109 WeakPolarHBondContact O-CD2 3.46Å; L83-L119 HydrophobicContact CB-CD2 3.82Å; L83-L119 HydrophobicContact CD2-CD2 3.23Å; L83-L119 HydrophobicContact CG-CD2 4.11Å
84F96Very high95.2Very high33 Ų3338 Ų3815%0.14520%0.202CC..THydrogen-bonded Turntrans-51.2121.4-179.4-177.2-106.7000111.3F26 E27 W30 H31 D82 R86 Y109F26-F84 HydrophobicContact CD1-CE1 4.4Å; F26-F84 HydrophobicContact CE1-CE1 4.4Å; E27-F84 HydrophobicContact CB-CD1 3.98Å; E27-F84 HydrophobicContact CB-CE1 3.79Å; E27-F84 HydrophobicContact CG-CE1 4.48Å; W30-F84 HydrophobicContact CB-CB 4.09Å; W30-F84 HydrophobicContact CB-CD1 3.41Å; W30-F84 VanDerWaalsContact CB-CD1 3.41Å; W30-F84 HydrophobicContact CB-CD2 4.37Å; W30-F84 HydrophobicContact CB-CE1 3.88Å; W30-F84 HydrophobicContact CB-CG 3.7Å; W30-F84 AromaticContact CD1-CD1 3.81Å; W30-F84 AromaticContact CD1-CD2 3.72Å; W30-F84 AromaticContact CD1-CE1 3.54Å; W30-F84 AromaticContact CD1-CE2 3.48Å; W30-F84 VanDerWaalsContact CD1-CE2 3.48Å; W30-F84 AromaticContact CD1-CG 3.9Å; W30-F84 AromaticContact CD1-CZ 3.38Å; W30-F84 HydrophobicContact CD2-CB 3.94Å; W30-F84 HydrophobicContact CD2-CD1 4.17Å; W30-F84 AromaticContact CD2-CD2 3.45Å; W30-F84 HydrophobicContact CD2-CD2 3.45Å; W30-F84 VanDerWaalsContact CD2-CD2 3.45Å; W30-F84 AromaticContact CD2-CE2 3.97Å; W30-F84 HydrophobicContact CD2-CE2 3.97Å; W30-F84 AromaticContact CD2-CG 3.58Å; W30-F84 HydrophobicContact CD2-CG 3.58Å; W30-F84 AromaticContact CE2-CD2 3.54Å; W30-F84 AromaticContact CE2-CE2 3.69Å; W30-F84 HydrophobicContact CE3-CB 3.62Å; W30-F84 AromaticContact CE3-CD2 3.81Å; W30-F84 HydrophobicContact CE3-CD2 3.81Å; W30-F84 AromaticContact CE3-CG 3.81Å; W30-F84 HydrophobicContact CE3-CG 3.81Å; W30-F84 HydrophobicContact CG-CB 4.13Å; W30-F84 AromaticContact CG-CD1 3.56Å; W30-F84 HydrophobicContact CG-CD1 3.56Å; W30-F84 AromaticContact CG-CD2 3.67Å; W30-F84 HydrophobicContact CG-CD2 3.67Å; W30-F84 AromaticContact CG-CE1 3.79Å; W30-F84 HydrophobicContact CG-CE1 3.79Å; W30-F84 AromaticContact CG-CE2 3.93Å; W30-F84 HydrophobicContact CG-CE2 3.93Å; W30-F84 AromaticContact CG-CG 3.5Å; W30-F84 HydrophobicContact CG-CG 3.5Å; W30-F84 AromaticContact CG-CZ 3.99Å; W30-F84 HydrophobicContact CG-CZ 3.99Å; W30-F84 HydrophobicContact CH2-CD2 4.24Å; W30-F84 AromaticContact CZ2-CD2 3.99Å; W30-F84 HydrophobicContact CZ2-CD2 3.99Å; W30-F84 HydrophobicContact CZ2-CE2 4.23Å; W30-F84 HydrophobicContact CZ3-CB 4.19Å; W30-F84 HydrophobicContact CZ3-CD2 4.16Å; W30-F84 HydrophobicContact CZ3-CG 4.48Å; W30-F84 AromaticContact NE1-CD2 3.77Å; W30-F84 AromaticContact NE1-CE2 3.45Å; W30-F84 AromaticContact NE1-CZ 3.77Å; H31-F84 PolarHBondContact NE2-N 2.92Å; D82-F84 PolarHBondContact O-N 3.27Å; F84-R86 PolarHBondContact O-N 3.24Å; F84-Y109 HydrophobicContact CB-CE2 4.5Å; F84-Y109 HydrophobicContact CD2-CE1 4Å; F84-Y109 HydrophobicContact CD2-CE2 4.29Å; F84-Y109 AromaticContact CD2-CZ 3.64Å; F84-Y109 WeakPolarHBondContact CD2-OH 3.4Å; F84-Y109 HydrophobicContact CE2-CE1 4.33Å
85R94.6Very high95.2Very high40 Ų4040 Ų4015%0.15120%0.202CC..THydrogen-bonded Turntrans59.928.3173.9-60.3-66-57.3-90.6-11.9114.5F26 L83 E87 S88F26-R85 HydrophobicContact CB-CB 4.09Å; F26-R85 HydrophobicContact CD1-CB 3.46Å; F26-R85 VanDerWaalsContact CD1-CB 3.46Å; F26-R85 HydrophobicContact CD1-CG 3.65Å; F26-R85 HydrophobicContact CE1-CB 4.09Å; F26-R85 HydrophobicContact CE1-CG 3.78Å; F26-R85 HydrophobicContact CG-CB 3.95Å; L83-R85 PolarHBondContact O-N 3.12Å; L83-R85 VanDerWaalsContact O-N 3.14Å; R85-E87 VanDerWaalsContact C-OE2 3.25Å; R85-E87 WeakPolarHBondContact CA-OE2 3.43Å; R85-E87 VanDerWaalsContact CD-OE1 3.29Å; R85-E87 WeakPolarHBondContact CD-OE1 3.42Å; R85-E87 IonicContact CZ-OE1 2.65Å; R85-E87 IonicContact NE-OE1 2.64Å; R85-E87 PolarHBondContact NE-OE1 2.99Å; R85-E87 IonicContact NH2-OE1 2.8Å; R85-E87 PolarHBondContact O-N 2.88Å; R85-E87 VanDerWaalsContact O-N 3.12Å; R85-S88 PolarHBondContact NE-OG 3.49Å; R85-S88 PolarHBondContact NH2-OG 3.5Å; R85-S88 WeakPolarHBondContact O-CB 3.07Å; R85-S88 PolarHBondContact O-N 3.09Å
86R95.1Very high95Very high5 Ų542.4 Ų42.42%0.01922%0.217CC..G310 helixtrans-44.8-42.6172177-169.9177.3178.75.3111.8L83 F84 S88 S89 L92 E107 G117L83-R86 HydrophobicContact CB-CB 4.32Å; L83-R86 PolarHBondContact O-N 2.88Å; F84-R86 PolarHBondContact O-N 3.24Å; R86-S88 PolarHBondContact O-N 3.36Å; R86-S89 PolarHBondContact O-N 2.92Å; R86-L92 HydrophobicContact CG-CB 4.04Å; R86-L92 HydrophobicContact CG-CD1 4.4Å; R86-L92 PolarHBondContact NE-O 3.08Å; R86-L92 PolarHBondContact NH2-O 3.38Å; R86-E107 IonicContact CZ-OE2 3.45Å; R86-E107 IonicContact NH1-OE2 3.66Å; R86-E107 PolarHBondContact NH1-OE2 3Å; R86-G117 PolarHBondContact NH1-O 3.32Å; R86-G117 PolarHBondContact NH2-O 3.24Å
87E94.1Very high95.1Very high34 Ų3435.9 Ų35.916%0.15919%0.187CC..G310 helixtrans-64.2-9.4-17783.5-65.5150.100115R85 Y109 H110 K112R85-E87 VanDerWaalsContact C-OE2 3.25Å; R85-E87 WeakPolarHBondContact CA-OE2 3.43Å; R85-E87 VanDerWaalsContact CD-OE1 3.29Å; R85-E87 WeakPolarHBondContact CD-OE1 3.42Å; R85-E87 IonicContact CZ-OE1 2.65Å; R85-E87 IonicContact NE-OE1 2.64Å; R85-E87 PolarHBondContact NE-OE1 2.99Å; R85-E87 IonicContact NH2-OE1 2.8Å; R85-E87 PolarHBondContact O-N 2.88Å; R85-E87 VanDerWaalsContact O-N 3.12Å; E87-Y109 WeakPolarHBondContact OE2-CB 3.5Å; E87-H110 WeakPolarHBondContact CB-O 3.42Å; E87-K112 HydrophobicContact CB-CG 4.24Å; E87-K112 HydrophobicContact CG-CG 4.21Å
88S94.7Very high95.1Very high5 Ų529.4 Ų29.44%0.03515%0.153CC..G310 helixtrans-92.2-1.8175.4-53.40000112.7N16 Y24 R85 R86N16-S88 PolarHBondContact ND2-O 3.19Å; Y24-S88 WeakPolarHBondContact CD1-O 3.09Å; Y24-S88 WeakPolarHBondContact CE1-O 3.34Å; R85-S88 PolarHBondContact NE-OG 3.49Å; R85-S88 PolarHBondContact NH2-OG 3.5Å; R85-S88 WeakPolarHBondContact O-CB 3.07Å; R85-S88 PolarHBondContact O-N 3.09Å; R86-S88 PolarHBondContact O-N 3.36Å
89S96Very high94.8Very high2 Ų227.3 Ų27.31%0.01415%0.145CC..  trans-110120174.9179.40000110.3Y24 R86 L92Y24-S89 WeakPolarHBondContact O-CB 3.02Å; Y24-S89 PolarHBondContact O-OG 3.17Å; R86-S89 PolarHBondContact O-N 2.92Å; S89-L92 PolarHBondContact O-N 3.3Å; S89-L92 WeakPolarHBondContact OG-CG 3.28Å; S89-L92 PolarHBondContact OG-N 3.12Å
90L95.4Very high94.6Very high32 Ų3230.3 Ų30.317%0.16817%0.166CC..SBendtrans-64-44.3175.4-67.9-176.9000111.1N16 L92 C93 E94N16-L90 WeakPolarHBondContact O-CD1 3.33Å; N16-L90 PolarHBondContact OD1-N 2.93Å; N16-L90 VanDerWaalsContact OD1-N 3.09Å; L90-L92 PolarHBondContact O-N 2.65Å; L90-C93 CarbonylContact O-C 3.59Å; L90-C93 WeakPolarHBondContact O-CA 3.05Å; L90-C93 PolarHBondContact O-N 2.94Å; L90-E94 WeakPolarHBondContact O-CG 2.8Å; L90-E94 PolarHBondContact O-N 3.5Å; L90-E94 VanDerWaalsContact O-N 3.12Å
91A96Very high94.2Very high5 Ų534.1 Ų34.14%0.04119%0.189CC..THydrogen-bonded Turntrans-62-27.2-178.300000113.9F23 C93 V97F23-A91 HydrophobicContact CD2-CB 3.59Å; F23-A91 HydrophobicContact CE2-CB 3.94Å; F23-A91 HydrophobicContact CG-CB 4.46Å; A91-C93 VanDerWaalsContact C-N 3.32Å; A91-V97 WeakPolarHBondContact O-CG2 3.25Å
92L96.6Very high93.8Very high2 Ų237 Ų371%0.0120%0.202CC..THydrogen-bonded Turntrans-85.8-4.7175.3-60.9-178.3000114.1F23 L25 L83 R86 S89 L90 V97 L119 A124F23-L92 HydrophobicContact CE2-CD2 4.06Å; F23-L92 HydrophobicContact CZ-CD2 3.77Å; F23-L92 HydrophobicContact CZ-CG 4.5Å; L25-L92 HydrophobicContact CD2-CD1 3.84Å; L83-L92 HydrophobicContact CD2-CD1 3.67Å; R86-L92 HydrophobicContact CG-CB 4.04Å; R86-L92 HydrophobicContact CG-CD1 4.4Å; R86-L92 PolarHBondContact NE-O 3.08Å; R86-L92 PolarHBondContact NH2-O 3.38Å; S89-L92 PolarHBondContact O-N 3.3Å; S89-L92 WeakPolarHBondContact OG-CG 3.28Å; S89-L92 PolarHBondContact OG-N 3.12Å; L90-L92 PolarHBondContact O-N 2.65Å; L92-V97 HydrophobicContact CD2-CG1 4.25Å; L92-L119 HydrophobicContact CD2-CD1 4.27Å; L92-A124 HydrophobicContact CD2-CB 3.71Å
93C95.4Very high93.2Very high14 Ų1445.2 Ų45.210%0.09524%0.237CC..SBendtrans-121.510.6-177.7-70.80000112.7L90 A91 C111 R114L90-C93 CarbonylContact O-C 3.59Å; L90-C93 WeakPolarHBondContact O-CA 3.05Å; L90-C93 PolarHBondContact O-N 2.94Å; A91-C93 VanDerWaalsContact C-N 3.32Å; C93-C111 WeakPolarHBondContact CA-SG 3.49Å; C93-C111 HydrophobicContact CB-CB 3.67Å; C93-C111 WeakPolarHBondContact CB-SG 3.49Å; C93-C111 WeakPolarHBondContact SG-CB 3.47Å; C93-C111 CovalentContact SG-SG 2.03Å; C93-C111 PolarHBondContact SG-SG 2.9Å; C93-R114 WeakPolarHBondContact O-CD 3.23Å
94E93.7Very high92.5Very high50 Ų5053 Ų5323%0.23428%0.279CS..SBendtrans-118.7164.7177-73.7175.6171.400110.1L90 V97 C98L90-E94 WeakPolarHBondContact O-CG 2.8Å; L90-E94 PolarHBondContact O-N 3.5Å; L90-E94 VanDerWaalsContact O-N 3.12Å; E94-V97 WeakPolarHBondContact O-CA 3.31Å; E94-V97 PolarHBondContact O-N 3.28Å; E94-C98 PolarHBondContact O-N 2.92Å
95E92Very high92Very high128 Ų12854.4 Ų54.460%0.59829%0.29SS*.THydrogen-bonded Turntrans-64.3144.2175.7-65.4-60.3155.900110.8
96P93Very high91.6Very high68 Ų6860.6 Ų60.644%0.44232%0.318SS..THydrogen-bonded Turncis-87.41.31.335.5-36.5000114.2C98P96-C98 PolarHBondContact O-N 3.41Å
97V96.2Very high91.1Very high0 Ų061.3 Ų61.30%032%0.322CS..THydrogen-bonded Turntrans-72.7-30.1-173.1-171.60000112.2A91 L92 E94 T99 L119 A124A91-V97 WeakPolarHBondContact O-CG2 3.25Å; L92-V97 HydrophobicContact CD2-CG1 4.25Å; E94-V97 WeakPolarHBondContact O-CA 3.31Å; E94-V97 PolarHBondContact O-N 3.28Å; V97-T99 VanDerWaalsContact C-N 3.35Å; V97-T99 PolarHBondContact O-N 3.28Å; V97-L119 HydrophobicContact CG1-CD1 3.21Å; V97-A124 HydrophobicContact CG1-CB 4.47Å
98C95.1Very high90.8Very high9 Ų966.6 Ų66.66%0.06134%0.34CS..SBendtrans-75.181.6175.9-170.40000111.5E94 P96 C116E94-C98 PolarHBondContact O-N 2.92Å; P96-C98 PolarHBondContact O-N 3.41Å; C98-C116 HydrophobicContact CB-CB 3.95Å; C98-C116 WeakPolarHBondContact CB-SG 3.41Å; C98-C116 VanDerWaalsContact SG-CA 3.51Å; C98-C116 WeakPolarHBondContact SG-CB 3.39Å; C98-C116 CovalentContact SG-SG 2.03Å; C98-C116 PolarHBondContact SG-SG 2.77Å
99T92.1Very high90.5Very high34 Ų3467.4 Ų67.421%0.20934%0.343CS..PPolyproline II helixtrans-73.3163.3178.956.30000112.5V97 C116 G117 P118 L123V97-T99 VanDerWaalsContact C-N 3.35Å; V97-T99 PolarHBondContact O-N 3.28Å; T99-C116 CarbonylContact O-C 3.54Å; T99-C116 WeakPolarHBondContact O-CA 3.36Å; T99-G117 PolarHBondContact O-N 3.23Å; T99-P118 PolarHBondContact OG1-O 3.3Å; T99-L123 HydrophobicContact CG2-CD1 3.76Å
100P90.6Very high90.2Very high111 Ų11173 Ų7372%0.72137%0.368SS*.PPolyproline II helixtrans-59.9144.5173.2-25.135.1000113.2L102P100-L102 PolarHBondContact O-N 3.32Å
101V88.6Confident90.1Very high81 Ų8171.7 Ų71.749%0.49136%0.362SS..PPolyproline II helixtrans-64132.4179.4-177.70000111.2Q115V101-Q115 HydrophobicContact CG2-CB 3.88Å
102L85.7Confident89.7Confident98 Ų9879 Ų7951%0.51339%0.393SS..PPolyproline II helixtrans-91.7132.6170.9-62.3179.6000109.9P100 V105 P118P100-L102 PolarHBondContact O-N 3.32Å; L102-V105 HydrophobicContact CB-CG2 4.02Å; L102-P118 HydrophobicContact CD1-CG 4.23Å
103K79.9Confident89Confident190 Ų19086.2 Ų86.283%0.82643%0.43SS*.THydrogen-bonded Turntrans-62.9145173.1-66.4-177.4-179.51790109.4V105K103-V105 VanDerWaalsContact C-N 3.27Å; K103-V105 PolarHBondContact O-N 2.03Å
104D82.6Confident88.6Confident172 Ų17291 Ų9192%0.9245%0.446SS*.THydrogen-bonded Turntrans67.512.2175.8-48-49.7000116.7
105V84.6Confident88.4Confident62 Ų6297 Ų9738%0.37647%0.474SS..  trans-104.3118.6170.6-1750000110.4P81 L102 K103 P118P81-V105 HydrophobicContact CB-CG1 3.85Å; P81-V105 HydrophobicContact CG-CG1 4.32Å; L102-V105 HydrophobicContact CB-CG2 4.02Å; K103-V105 VanDerWaalsContact C-N 3.27Å; K103-V105 PolarHBondContact O-N 2.03Å; V105-P118 HydrophobicContact CB-CG 4.16Å; V105-P118 HydrophobicContact CG1-CG 3.63Å; V105-P118 HydrophobicContact CG2-CG 4.49Å
106F85.9Confident88.5Confident171 Ų17191.2 Ų91.275%0.7545%0.447SS*.  trans-86.4117.4174.2179.3-100.3000111R108F106-R108 HydrophobicContact CE1-CB 4.09Å
107E85.7Confident88.6Confident20 Ų2088 Ų889%0.09343%0.426CS..  trans-100.9111173.5-73.6-173-111.700111.3P81 R86 Y109 H110 G117 P118P81-E107 HydrophobicContact CB-CG 3.79Å; R86-E107 IonicContact CZ-OE2 3.45Å; R86-E107 IonicContact NH1-OE2 3.66Å; R86-E107 PolarHBondContact NH1-OE2 3Å; E107-Y109 VanDerWaalsContact C-N 3.26Å; E107-Y109 PolarHBondContact O-N 2.69Å; E107-H110 HydrophobicContact CB-CB 4.34Å; E107-G117 WeakPolarHBondContact OE1-CA 3.34Å; E107-P118 HydrophobicContact CG-CG 4.48Å; E107-P118 WeakPolarHBondContact OE1-CD 3.19Å
108R86Confident88.5Confident145 Ų14588.3 Ų88.355%0.54743%0.429SS..THydrogen-bonded Turntrans-64.7-32.4179.8-176.1176.1-178.6177.64.6112.9F106F106-R108 HydrophobicContact CE1-CB 4.09Å
109Y90.2Very high88.5Confident22 Ų2288 Ų889%0.08643%0.426CS..THydrogen-bonded Turntrans-11749.5-173.7-57.8-68.7000110.9D82 L83 F84 E87 E107D82-Y109 WeakPolarHBondContact OD1-CE2 3.24Å; L83-Y109 WeakPolarHBondContact O-CB 3.49Å; L83-Y109 WeakPolarHBondContact O-CD2 3.46Å; F84-Y109 HydrophobicContact CB-CE2 4.5Å; F84-Y109 HydrophobicContact CD2-CE1 4Å; F84-Y109 HydrophobicContact CD2-CE2 4.29Å; F84-Y109 AromaticContact CD2-CZ 3.64Å; F84-Y109 WeakPolarHBondContact CD2-OH 3.4Å; F84-Y109 HydrophobicContact CE2-CE1 4.33Å; E87-Y109 WeakPolarHBondContact OE2-CB 3.5Å; E107-Y109 VanDerWaalsContact C-N 3.26Å; E107-Y109 PolarHBondContact O-N 2.69Å
110H89.5Confident88.8Confident118 Ų11888.2 Ų88.255%0.54643%0.426SS..  trans-64.2144.5-177.969.779.1000111.9E87 E107E87-H110 WeakPolarHBondContact CB-O 3.42Å; E107-H110 HydrophobicContact CB-CB 4.34Å
111C93Very high89.1Confident6 Ų683 Ų834%0.04139%0.392CS..  trans-58141.4175.4-660000111.4C93 R114 C116C93-C111 WeakPolarHBondContact CA-SG 3.49Å; C93-C111 HydrophobicContact CB-CB 3.67Å; C93-C111 WeakPolarHBondContact CB-SG 3.49Å; C93-C111 WeakPolarHBondContact SG-CB 3.47Å; C93-C111 CovalentContact SG-SG 2.03Å; C93-C111 PolarHBondContact SG-SG 2.9Å; C111-R114 VanDerWaalsContact CB-O 3.25Å; C111-R114 WeakPolarHBondContact CB-O 3.13Å; C111-C116 HydrophobicContact CB-CB 4.46Å
112K86.6Confident89.6Confident158 Ų15881.9 Ų81.969%0.68739%0.386SS*.SBendtrans-77.2-36.5-173.1-67179.2-177.2170.80113.5E87E87-K112 HydrophobicContact CB-CG 4.24Å; E87-K112 HydrophobicContact CG-CG 4.21Å
113I83.5Confident90.2Very high154 Ų15479.1 Ų79.179%0.7937%0.371SS*.SBendtrans-99-38.6-170.6-57.7175.3000110.8
114R87.2Confident91Very high114 Ų11470 Ų7043%0.4333%0.332SS..SBendtrans-114.9143.9-177.9-62.1-169.8-176.5-168.62.6110.3C93 C111 C116C93-R114 WeakPolarHBondContact O-CD 3.23Å; C111-R114 VanDerWaalsContact CB-O 3.25Å; C111-R114 WeakPolarHBondContact CB-O 3.13Å; R114-C116 PolarHBondContact O-N 3.29Å
115Q89.4Confident91.8Very high176 Ų17662.9 Ų62.982%0.82230%0.295SS*.  trans-82.393168.9-67.7-174.2-100108.4V101V101-Q115 HydrophobicContact CG2-CB 3.88Å
116C93.5Very high92.5Very high6 Ų665 Ų654%0.04130%0.301CS..  trans-95.9144.4173.8-48.30000109C98 T99 C111 R114C98-C116 HydrophobicContact CB-CB 3.95Å; C98-C116 WeakPolarHBondContact CB-SG 3.41Å; C98-C116 VanDerWaalsContact SG-CA 3.51Å; C98-C116 WeakPolarHBondContact SG-CB 3.39Å; C98-C116 CovalentContact SG-SG 2.03Å; C98-C116 PolarHBondContact SG-SG 2.77Å; T99-C116 CarbonylContact O-C 3.54Å; T99-C116 WeakPolarHBondContact O-CA 3.36Å; C111-C116 HydrophobicContact CB-CB 4.46Å; R114-C116 PolarHBondContact O-N 3.29Å
117G93.8Very high93Very high0 Ų057 Ų570%027%0.266CS..  trans-78.1-176.116600000112.4R86 T99 E107R86-G117 PolarHBondContact NH1-O 3.32Å; R86-G117 PolarHBondContact NH2-O 3.24Å; T99-G117 PolarHBondContact O-N 3.23Å; E107-G117 WeakPolarHBondContact OE1-CA 3.34Å
118P94.5Very high93.6Very high8 Ų856 Ų565%0.05226%0.262CS..SBendtrans-54.8142.5-173-30.438000112.6V79 T99 L102 V105 E107 N120V79-P118 HydrophobicContact CG1-CB 3.59Å; T99-P118 PolarHBondContact OG1-O 3.3Å; L102-P118 HydrophobicContact CD1-CG 4.23Å; V105-P118 HydrophobicContact CB-CG 4.16Å; V105-P118 HydrophobicContact CG1-CG 3.63Å; V105-P118 HydrophobicContact CG2-CG 4.49Å; E107-P118 HydrophobicContact CG-CG 4.48Å; E107-P118 WeakPolarHBondContact OE1-CD 3.19Å; P118-N120 PolarHBondContact O-N 3.46Å
119L96.4Very high94.2Very high1 Ų154.9 Ų54.91%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-70.5121.9-173.418066.4000110.5V79 T80 L83 L92 V97 L121 A124V79-L119 CarbonylContact C-O 3.43Å; V79-L119 VanDerWaalsContact CA-O 3.32Å; V79-L119 WeakPolarHBondContact CA-O 3.35Å; T80-L119 PolarHBondContact N-O 2.94Å; T80-L119 PolarHBondContact O-N 2.87Å; L83-L119 HydrophobicContact CB-CD2 3.82Å; L83-L119 HydrophobicContact CD2-CD2 3.23Å; L83-L119 HydrophobicContact CG-CD2 4.11Å; L92-L119 HydrophobicContact CD2-CD1 4.27Å; V97-L119 HydrophobicContact CG1-CD1 3.21Å; L119-L121 HydrophobicContact CD2-CD2 3.76Å; L119-L121 HydrophobicContact CG-CD2 4.2Å; L119-A124 HydrophobicContact CD1-CB 4.4Å
120N97.3Very high94.5Very high39 Ų3958 Ų5821%0.20929%0.29CS..EExtended strand (participates in β ladder)trans-88.5116166.7-175.8-36.8000109.3V79 P118 T122 L123 A124V79-N120 HydrophobicContact CG2-CB 4.17Å; P118-N120 PolarHBondContact O-N 3.46Å; N120-T122 VanDerWaalsContact C-N 3.31Å; N120-T122 PolarHBondContact O-N 3.49Å; N120-T122 WeakPolarHBondContact OD1-CA 3.46Å; N120-T122 WeakPolarHBondContact OD1-CB 3.19Å; N120-T122 PolarHBondContact OD1-N 3.23Å; N120-L123 HydrophobicContact CB-CB 4.22Å; N120-L123 HydrophobicContact CB-CD1 3.94Å; N120-L123 HydrophobicContact CB-CG 4Å; N120-L123 PolarHBondContact O-N 3.03Å; N120-L123 PolarHBondContact OD1-N 2.97Å; N120-A124 PolarHBondContact O-N 3.48Å
121L97.9Very high94.9Very high2 Ų254 Ų541%0.0127%0.272CS..Hα-helixtrans-73-23-176.7-64.4172000112.9F64 E68 I71 P75 H78 T80 L119 A124 S125F64-L121 HydrophobicContact CB-CB 4.07Å; F64-L121 HydrophobicContact CB-CD2 4.35Å; F64-L121 HydrophobicContact CD1-CD2 3.86Å; F64-L121 HydrophobicContact CG-CD2 4.29Å; E68-L121 HydrophobicContact CG-CD1 3.42Å; E68-L121 VanDerWaalsContact CG-CD1 3.42Å; I71-L121 HydrophobicContact CD1-CD1 4.1Å; P75-L121 HydrophobicContact CG-CD1 4.27Å; H78-L121 HydrophobicContact CB-CB 4.37Å; H78-L121 WeakPolarHBondContact O-CB 3.16Å; H78-L121 WeakPolarHBondContact O-CG 3.4Å; H78-L121 PolarHBondContact O-N 3.41Å; T80-L121 HydrophobicContact CG2-CD1 4.22Å; T80-L121 HydrophobicContact CG2-CD2 4.49Å; T80-L121 HydrophobicContact CG2-CG 4.33Å; L119-L121 HydrophobicContact CD2-CD2 3.76Å; L119-L121 HydrophobicContact CG-CD2 4.2Å; L121-A124 PolarHBondContact O-N 2.82Å; L121-S125 WeakPolarHBondContact O-CB 3.44Å; L121-S125 PolarHBondContact O-N 3.04Å; L121-S125 PolarHBondContact O-OG 2.6Å
122T98.1Very high95.1Very high58 Ų5860.3 Ų60.336%0.35630%0.3SS..Hα-helixtrans-66.2-48169.5-50.30000110.4N120 A124 S125 E126N120-T122 VanDerWaalsContact C-N 3.31Å; N120-T122 PolarHBondContact O-N 3.49Å; N120-T122 WeakPolarHBondContact OD1-CA 3.46Å; N120-T122 WeakPolarHBondContact OD1-CB 3.19Å; N120-T122 PolarHBondContact OD1-N 3.23Å; T122-A124 VanDerWaalsContact C-N 3.28Å; T122-A124 PolarHBondContact O-N 3.06Å; T122-S125 WeakPolarHBondContact O-CB 3.45Å; T122-S125 PolarHBondContact O-N 3.26Å; T122-S125 VanDerWaalsContact O-N 3.09Å; T122-E126 WeakPolarHBondContact O-CG 3.44Å; T122-E126 PolarHBondContact O-N 3.23Å
123L98.2Very high95.6Very high39 Ų3954.1 Ų54.120%0.20427%0.274CS..Hα-helixtrans-63.6-35.1174.8-62.6179.7000111.9T99 N120 S125 E126 S127T99-L123 HydrophobicContact CG2-CD1 3.76Å; N120-L123 HydrophobicContact CB-CB 4.22Å; N120-L123 HydrophobicContact CB-CD1 3.94Å; N120-L123 HydrophobicContact CB-CG 4Å; N120-L123 PolarHBondContact O-N 3.03Å; N120-L123 PolarHBondContact OD1-N 2.97Å; L123-S125 VanDerWaalsContact C-N 3.34Å; L123-E126 WeakPolarHBondContact CD2-OE2 3.39Å; L123-E126 PolarHBondContact O-N 3.37Å; L123-S127 VanDerWaalsContact O-CB 3.29Å; L123-S127 WeakPolarHBondContact O-CB 3.29Å; L123-S127 PolarHBondContact O-N 3.4Å
124A98.2Very high96.3Very high0 Ų049.5 Ų49.50%025%0.249CC..Hα-helixtrans-63.3-40.1173.300000112F64 L92 V97 L119 N120 L121 T122 S127 C128F64-A124 HydrophobicContact CD2-CB 4.48Å; F64-A124 HydrophobicContact CE2-CB 4.14Å; F64-A124 HydrophobicContact CZ-CB 4.23Å; L92-A124 HydrophobicContact CD2-CB 3.71Å; V97-A124 HydrophobicContact CG1-CB 4.47Å; L119-A124 HydrophobicContact CD1-CB 4.4Å; N120-A124 PolarHBondContact O-N 3.48Å; L121-A124 PolarHBondContact O-N 2.82Å; T122-A124 VanDerWaalsContact C-N 3.28Å; T122-A124 PolarHBondContact O-N 3.06Å; A124-S127 PolarHBondContact O-N 2.85Å; A124-C128 VanDerWaalsContact O-CB 3.26Å; A124-C128 WeakPolarHBondContact O-CB 3.35Å; A124-C128 PolarHBondContact O-N 2.95Å
125S98.5Very high96.8Very high22 Ų2244.8 Ų44.815%0.15424%0.235CC..Hα-helixtrans-63.9-46.8175.9-56.10000111C62 F64 L121 T122 L123 C128 L129C62-S125 WeakPolarHBondContact O-CB 3.46Å; C62-S125 PolarHBondContact O-OG 2.88Å; F64-S125 WeakPolarHBondContact CD2-OG 3.45Å; L121-S125 WeakPolarHBondContact O-CB 3.44Å; L121-S125 PolarHBondContact O-N 3.04Å; L121-S125 PolarHBondContact O-OG 2.6Å; T122-S125 WeakPolarHBondContact O-CB 3.45Å; T122-S125 PolarHBondContact O-N 3.26Å; T122-S125 VanDerWaalsContact O-N 3.09Å; L123-S125 VanDerWaalsContact C-N 3.34Å; S125-C128 WeakPolarHBondContact O-CB 3.31Å; S125-C128 PolarHBondContact O-N 3.21Å; S125-L129 WeakPolarHBondContact O-CG 3.1Å; S125-L129 PolarHBondContact O-N 2.81Å
126E98.3Very high97.3Very high105 Ų10538 Ų3849%0.49120%0.203SC..Hα-helixtrans-62-44.7175.9-68.8172.1-179.600112.1T122 L123 C128 L129 S130T122-E126 WeakPolarHBondContact O-CG 3.44Å; T122-E126 PolarHBondContact O-N 3.23Å; L123-E126 WeakPolarHBondContact CD2-OE2 3.39Å; L123-E126 PolarHBondContact O-N 3.37Å; E126-C128 VanDerWaalsContact C-N 3.33Å; E126-C128 PolarHBondContact O-N 3Å; E126-L129 PolarHBondContact O-N 2.82Å; E126-S130 PolarHBondContact O-N 3.44Å
127S97.9Very high97.5Very high4 Ų438.7 Ų38.73%0.02821%0.206CC..Hα-helixtrans-59.8-44.8174.6179.60000110.9L123 A124 L129 S130 K131L123-S127 VanDerWaalsContact O-CB 3.29Å; L123-S127 WeakPolarHBondContact O-CB 3.29Å; L123-S127 PolarHBondContact O-N 3.4Å; A124-S127 PolarHBondContact O-N 2.85Å; S127-L129 PolarHBondContact O-N 2.92Å; S127-S130 WeakPolarHBondContact O-CB 3.32Å; S127-S130 PolarHBondContact O-N 3.32Å; S127-S130 PolarHBondContact O-OG 3.01Å; S127-K131 WeakPolarHBondContact O-CG 3.34Å; S127-K131 PolarHBondContact O-N 2.64Å
128C98.3Very high97.6Very high0 Ų039 Ų390%021%0.208CC..Hα-helixtrans-57.9-46.9175.4179.80000112.5F23 C62 A124 S125 E126 S130 K131 H134F23-C128 HydrophobicContact CD1-CB 3.85Å; F23-C128 VanDerWaalsContact CD2-CA 3.41Å; F23-C128 HydrophobicContact CD2-CB 3.76Å; F23-C128 HydrophobicContact CE1-CB 3.74Å; F23-C128 HydrophobicContact CE2-CB 3.66Å; F23-C128 HydrophobicContact CG-CB 3.84Å; F23-C128 HydrophobicContact CZ-CB 3.64Å; C62-C128 WeakPolarHBondContact CA-SG 3.14Å; C62-C128 HydrophobicContact CB-CB 3.53Å; C62-C128 WeakPolarHBondContact CB-SG 3.38Å; C62-C128 WeakPolarHBondContact SG-CB 3.29Å; C62-C128 PolarHBondContact SG-O 3.02Å; C62-C128 CovalentContact SG-SG 2.04Å; C62-C128 PolarHBondContact SG-SG 3.07Å; A124-C128 VanDerWaalsContact O-CB 3.26Å; A124-C128 WeakPolarHBondContact O-CB 3.35Å; A124-C128 PolarHBondContact O-N 2.95Å; S125-C128 WeakPolarHBondContact O-CB 3.31Å; S125-C128 PolarHBondContact O-N 3.21Å; E126-C128 VanDerWaalsContact C-N 3.33Å; E126-C128 PolarHBondContact O-N 3Å; C128-S130 PolarHBondContact O-N 3.07Å; C128-K131 PolarHBondContact O-N 2.9Å; C128-K131 VanDerWaalsContact O-N 3.09Å; C128-H134 PolarHBondContact O-NE2 2.95Å; C128-H134 PolarHBondContact SG-CD2 3.24Å
129L97.9Very high97.5Very high121 Ų12139.8 Ų39.863%0.63421%0.213SC*.Hα-helixtrans-63.9-28.8178.5-71.3168.6000112.6C62 S125 E126 S127 K131C62-L129 HydrophobicContact CB-CD2 3.73Å; C62-L129 HydrophobicContact CB-CG 3.68Å; C62-L129 PolarHBondContact SG-N 2.9Å; C62-L129 VanDerWaalsContact SG-N 3.41Å; S125-L129 WeakPolarHBondContact O-CG 3.1Å; S125-L129 PolarHBondContact O-N 2.81Å; E126-L129 PolarHBondContact O-N 2.82Å; S127-L129 PolarHBondContact O-N 2.92Å; L129-K131 VanDerWaalsContact C-N 3.26Å; L129-K131 PolarHBondContact O-N 2.94Å
130S97.2Very high97.3Very high86 Ų8642.1 Ų42.160%0.60122%0.221SC*.Hα-helixtrans-73.7-14.7176.279.70000113.9E126 S127 C128E126-S130 PolarHBondContact O-N 3.44Å; S127-S130 WeakPolarHBondContact O-CB 3.32Å; S127-S130 PolarHBondContact O-N 3.32Å; S127-S130 PolarHBondContact O-OG 3.01Å; C128-S130 PolarHBondContact O-N 3.07Å
131K97.1Very high97Very high36 Ų3640.7 Ų40.716%0.15721%0.214CC..  trans-90.1144.5-177.2-57.4-40.7-172.1-177.50111.2E20 F23 S127 C128 L129 H134E20-K131 WeakPolarHBondContact O-CD 3.43Å; E20-K131 VanDerWaalsContact O-CE 3.26Å; E20-K131 WeakPolarHBondContact O-CE 3.43Å; E20-K131 PolarHBondContact O-NZ 3.24Å; F23-K131 HydrophobicContact CB-CB 3.84Å; F23-K131 HydrophobicContact CB-CG 3.65Å; F23-K131 HydrophobicContact CD2-CG 4.11Å; F23-K131 HydrophobicContact CG-CG 4.37Å; S127-K131 WeakPolarHBondContact O-CG 3.34Å; S127-K131 PolarHBondContact O-N 2.64Å; C128-K131 PolarHBondContact O-N 2.9Å; C128-K131 VanDerWaalsContact O-N 3.09Å; L129-K131 VanDerWaalsContact C-N 3.26Å; L129-K131 PolarHBondContact O-N 2.94Å; K131-H134 PolarHBondContact O-CE1 3.01Å; K131-H134 VanDerWaalsContact O-CE1 3.23Å
132Q96.9Very high96.4Very high137 Ų13746.9 Ų46.964%0.6424%0.237SC*.SBendtrans-80.1-30.3178.8-171.7176.732.100112.6T21T21-Q132 PolarHBondContact O-N 2.8Å
133H97.8Very high96Very high29 Ų2948.5 Ų48.513%0.13424%0.241CC..EExtended strand (participates in β ladder)trans-129.6144.8-173.3-57.7-51.8000110.9T21 M22 F23 I254T21-H133 PolarHBondContact O-N 3.3Å; M22-H133 CarbonylContact C-O 3.55Å; M22-H133 WeakPolarHBondContact CA-O 3.33Å; M22-H133 HydrophobicContact CE-CB 3.63Å; M22-H133 HydrophobicContact SD-CB 3.92Å; F23-H133 PolarHBondContact N-O 3.27Å; H133-I254 HydrophobicContact CB-CD1 4.07Å; H133-I254 HydrophobicContact CB-CG1 4.48Å
134H98.2Very high95.8Very high57 Ų5746.7 Ų46.726%0.26423%0.231SC..EExtended strand (participates in β ladder)trans-131132.5-176.1-54.876.8000109.8F23 F60 C128 K131F23-H134 CarbonylContact O-C 3.56Å; F23-H134 WeakPolarHBondContact O-CA 3.45Å; F60-H134 HydrophobicContact CD1-CB 4.03Å; F60-H134 HydrophobicContact CE1-CB 4.23Å; C128-H134 PolarHBondContact O-NE2 2.95Å; C128-H134 PolarHBondContact SG-CD2 3.24Å; K131-H134 PolarHBondContact O-CE1 3.01Å; K131-H134 VanDerWaalsContact O-CE1 3.23Å
135A98.3Very high95.5Very high15 Ų1550.4 Ų50.412%0.12425%0.252CS..EExtended strand (participates in β ladder)trans-132.3122.417900000110.2F15 M22 F23 Y24 L25F15-A135 HydrophobicContact CB-CB 3.85Å; F15-A135 HydrophobicContact CG-CB 4.16Å; M22-A135 HydrophobicContact SD-CB 3.81Å; F23-A135 PolarHBondContact O-N 2.9Å; Y24-A135 CarbonylContact C-O 3.42Å; Y24-A135 VanDerWaalsContact CA-O 3.29Å; Y24-A135 WeakPolarHBondContact CA-O 3.4Å; Y24-A135 HydrophobicContact CD2-CB 3.95Å; Y24-A135 VanDerWaalsContact CD2-O 3.29Å; Y24-A135 WeakPolarHBondContact CD2-O 3.41Å; L25-A135 PolarHBondContact N-O 2.72Å
136I98.4Very high95.2Very high32 Ų3251 Ų5116%0.16425%0.254CS..EExtended strand (participates in β ladder)trans-113.9120.2175.2-56.4-175.5000109.3L25 P28 L56 L59 F60L25-I136 HydrophobicContact CB-CG1 4.26Å; L25-I136 HydrophobicContact CB-CG2 4.48Å; L25-I136 HydrophobicContact CD1-CD1 4.27Å; L25-I136 HydrophobicContact CD1-CG1 4.39Å; P28-I136 HydrophobicContact CG-CG2 3.68Å; L56-I136 HydrophobicContact CD2-CD1 4.14Å; L56-I136 HydrophobicContact CD2-CG2 3.84Å; L59-I136 HydrophobicContact CB-CD1 3.83Å; F60-I136 HydrophobicContact CD1-CD1 4.26Å; F60-I136 HydrophobicContact CD1-CG1 4.49Å; F60-I136 HydrophobicContact CD2-CD1 3.9Å; F60-I136 HydrophobicContact CE1-CD1 4.12Å; F60-I136 HydrophobicContact CE1-CG1 3.95Å; F60-I136 HydrophobicContact CE2-CB 4.39Å; F60-I136 HydrophobicContact CE2-CD1 3.75Å; F60-I136 HydrophobicContact CE2-CG1 4.16Å; F60-I136 HydrophobicContact CG-CD1 4.16Å; F60-I136 HydrophobicContact CZ-CB 3.98Å; F60-I136 HydrophobicContact CZ-CD1 3.86Å; F60-I136 HydrophobicContact CZ-CG1 3.77Å
137K97.8Very high95Very high21 Ų2146.5 Ų46.59%0.09123%0.233CC..EExtended strand (participates in β ladder)trans-85.9123.2168.5-177.8-156.5164.6-168.70109.3S8 S9 Y24 L25 F26 E27S8-K137 VanDerWaalsContact C-CE 3.5Å; S8-K137 WeakPolarHBondContact O-CD 3.49Å; S8-K137 WeakPolarHBondContact OG-CE 3.38Å; S9-K137 PolarHBondContact OG-NZ 3.39Å; Y24-K137 HydrophobicContact CE2-CB 3.88Å; Y24-K137 WeakPolarHBondContact OH-CB 3.44Å; Y24-K137 WeakPolarHBondContact OH-CD 3.48Å; L25-K137 PolarHBondContact O-N 3.44Å; F26-K137 HydrophobicContact CD2-CD 3.88Å; F26-K137 HydrophobicContact CE2-CD 3.84Å; F26-K137 HydrophobicContact CG-CD 4.27Å; F26-K137 HydrophobicContact CZ-CD 4.21Å; E27-K137 WeakPolarHBondContact CA-O 3.14Å; E27-K137 HydrophobicContact CG-CD 4.31Å; E27-K137 PolarHBondContact N-O 3.48Å; E27-K137 WeakPolarHBondContact OE1-CE 3.48Å; E27-K137 IonicContact OE1-NZ 3.67Å
138A95.6Very high94.9Very high6 Ų649.4 Ų49.45%0.0525%0.247CC..  trans-137.9127.2176.700000112.5A2 E27 L29 V141A2-A138 PolarHBondContact N-O 3.2Å; E27-A138 WeakPolarHBondContact OE1-CA 3.47Å; L29-A138 HydrophobicContact CD1-CB 4.18Å; A138-V141 HydrophobicContact CB-CG2 3.93Å
139V93.9Very high94.7Very high25 Ų2553.4 Ų53.415%0.15227%0.273CS..SBendtrans-104.3-0.4170.8-64.20000114.4A2 T4 E27A2-V139 HydrophobicContact CB-CG1 3.94Å; A2-V139 WeakPolarHBondContact O-CA 3.47Å; T4-V139 HydrophobicContact CG2-CB 4.28Å; T4-V139 HydrophobicContact CG2-CG2 3.85Å; E27-V139 VanDerWaalsContact CD-N 3.26Å; E27-V139 WeakPolarHBondContact OE1-CG1 3.23Å; E27-V139 PolarHBondContact OE1-N 3.42Å; E27-V139 WeakPolarHBondContact OE2-CG2 3.43Å; E27-V139 PolarHBondContact OE2-N 2.94Å
140R91.1Very high94.6Very high50 Ų5048 Ų4819%0.18924%0.244CC..  trans-101.2-7-176.7-72.9163.5177.880.39114E27 L29 E33 Y52 R142E27-R140 IonicContact OE2-NH1 3.88Å; E27-R140 PolarHBondContact OE2-NH1 3.35Å; L29-R140 HydrophobicContact CB-CB 4.24Å; L29-R140 VanDerWaalsContact O-CD 3.23Å; L29-R140 WeakPolarHBondContact O-CD 3.41Å; E33-R140 HydrophobicContact CB-CG 4.32Å; E33-R140 HydrophobicContact CG-CG 4.45Å; Y52-R140 HydrophobicContact CE1-CB 4.22Å; R140-R142 PolarHBondContact O-N 2.85Å
141V90.9Very high94.5Very high9 Ų943.9 Ų43.96%0.05522%0.215CC..  trans-80.6110.4168.1-164.50000106.8M1 L29 L56 A138 L147M1-V141 HydrophobicContact CE-CB 3.61Å; M1-V141 HydrophobicContact CE-CG1 3.23Å; M1-V141 WeakPolarHBondContact CE-O 3.33Å; M1-V141 HydrophobicContact CG-CB 4.48Å; L29-V141 HydrophobicContact CD1-CG2 3.76Å; L56-V141 HydrophobicContact CD1-CG2 3.79Å; A138-V141 HydrophobicContact CB-CG2 3.93Å; V141-L147 HydrophobicContact CG1-CD1 4.05Å; V141-L147 HydrophobicContact CG1-CD2 3.83Å; V141-L147 HydrophobicContact CG1-CG 3.85Å; V141-L147 HydrophobicContact CG2-CD2 4.45Å
142R85.6Confident94.5Very high132 Ų13247 Ų4750%0.49823%0.23SC..  trans-93.8-25.7-171.6-57.4-179.5-160.61763.6113.1E33 R140 S214E33-R142 VanDerWaalsContact CD-NH2 3.35Å; E33-R142 IonicContact OE1-NH2 3.26Å; E33-R142 PolarHBondContact OE1-NH2 3.25Å; E33-R142 IonicContact OE2-NH2 2.72Å; E33-R142 PolarHBondContact OE2-NH2 3.45Å; R140-R142 PolarHBondContact O-N 2.85Å; R142-S214 PolarHBondContact O-OG 3.46Å
143Q89.1Confident94.4Very high92 Ų9241.2 Ų41.243%0.4320%0.204SC..  trans-130.8138.4-177.5-54.9177.7-64.600109.5M1 D145 T146 S214M1-Q143 WeakPolarHBondContact CE-O 3.21Å; Q143-D145 WeakPolarHBondContact CB-OD1 3.42Å; Q143-T146 HydrophobicContact CB-CG2 4.17Å; Q143-T146 PolarHBondContact O-OG1 3.48Å; Q143-S214 WeakPolarHBondContact CA-OG 3.34Å
144L94.1Very high94.3Very high1 Ų145.4 Ų45.41%0.00523%0.234CC..SBendtrans-76.3-31.4-173.6177.463.4000113.2M1 T146 L147 I160 S214 L217 W224 L225 Y229M1-L144 HydrophobicContact CE-CB 4.4Å; L144-T146 PolarHBondContact O-N 3.45Å; L144-L147 HydrophobicContact CD1-CD1 4.33Å; L144-L147 WeakPolarHBondContact O-CB 3.45Å; L144-L147 PolarHBondContact O-N 3.29Å; L144-I160 HydrophobicContact CD1-CD1 3.73Å; L144-I160 HydrophobicContact CD1-CG2 3.96Å; L144-S214 WeakPolarHBondContact CD2-O 3.45Å; L144-S214 PolarHBondContact N-OG 2.94Å; L144-L217 HydrophobicContact CB-CD2 4.14Å; L144-L217 HydrophobicContact CD2-CB 4.38Å; L144-L217 HydrophobicContact CD2-CD2 4.46Å; L144-L217 HydrophobicContact CD2-CG 4.32Å; L144-L217 HydrophobicContact CG-CD2 4.3Å; L144-W224 HydrophobicContact CG-CH2 4.34Å; L144-L225 HydrophobicContact CD2-CD2 3.7Å; L144-L225 HydrophobicContact CG-CD2 4.23Å; L144-Y229 HydrophobicContact CD1-CD2 4.3Å; L144-Y229 HydrophobicContact CD1-CE2 4.36Å; L144-Y229 HydrophobicContact CD2-CD2 3.77Å; L144-Y229 HydrophobicContact CD2-CE2 3.59Å
145D93.2Very high94.3Very high79 Ų7949.9 Ų49.942%0.42226%0.255SS..G310 helixtrans-59.6-31.4176.159.1-22.5000112.9Q143 L147 Q148 L217Q143-D145 WeakPolarHBondContact CB-OD1 3.42Å; D145-L147 PolarHBondContact O-N 3.13Å; D145-Q148 VanDerWaalsContact O-CB 3.25Å; D145-Q148 WeakPolarHBondContact O-CB 2.98Å; D145-Q148 PolarHBondContact O-N 3.29Å; D145-L217 HydrophobicContact CB-CD2 3.76Å
146T92Very high94.2Very high33 Ų3350.4 Ų50.420%0.20226%0.255CS..G310 helixtrans-64.5-14175.872.10000113.2P49 Q143 L144P49-T146 HydrophobicContact CB-CG2 4.01Å; Q143-T146 HydrophobicContact CB-CG2 4.17Å; Q143-T146 PolarHBondContact O-OG1 3.48Å; L144-T146 PolarHBondContact O-N 3.45Å
147L94.6Very high94Very high11 Ų1156 Ų566%0.05829%0.285CS..G310 helixtrans-92.8-1.1175.4-59.7-179.1000112.9M1 L56 V141 L144 D145 L150 V151 I160M1-L147 HydrophobicContact CE-CD1 4.13Å; L56-L147 HydrophobicContact CD1-CD2 3.69Å; V141-L147 HydrophobicContact CG1-CD1 4.05Å; V141-L147 HydrophobicContact CG1-CD2 3.83Å; V141-L147 HydrophobicContact CG1-CG 3.85Å; V141-L147 HydrophobicContact CG2-CD2 4.45Å; L144-L147 HydrophobicContact CD1-CD1 4.33Å; L144-L147 WeakPolarHBondContact O-CB 3.45Å; L144-L147 PolarHBondContact O-N 3.29Å; D145-L147 PolarHBondContact O-N 3.13Å; L147-L150 HydrophobicContact CD2-CD2 4.16Å; L147-L150 WeakPolarHBondContact O-CB 3.48Å; L147-L150 PolarHBondContact O-N 2.62Å; L147-V151 WeakPolarHBondContact O-CG2 2.89Å; L147-V151 PolarHBondContact O-N 3.48Å; L147-I160 HydrophobicContact CB-CD1 3.99Å; L147-I160 HydrophobicContact CD1-CD1 3.73Å; L147-I160 HydrophobicContact CD1-CG1 4.44Å
148Q95.2Very high94Very high66 Ų6655.6 Ų55.631%0.30828%0.284SS..Hα-helixtrans-56.2-48.1179.2177177.2-12.600112.6D145 L150 V151 E152 W224D145-Q148 VanDerWaalsContact O-CB 3.25Å; D145-Q148 WeakPolarHBondContact O-CB 2.98Å; D145-Q148 PolarHBondContact O-N 3.29Å; Q148-L150 VanDerWaalsContact C-N 3.26Å; Q148-L150 PolarHBondContact O-N 3.45Å; Q148-V151 PolarHBondContact O-N 2.89Å; Q148-E152 HydrophobicContact CG-CG 4.17Å; Q148-E152 VanDerWaalsContact CG-OE2 3.23Å; Q148-E152 WeakPolarHBondContact CG-OE2 3.4Å; Q148-E152 PolarHBondContact NE2-OE2 3.16Å; Q148-E152 PolarHBondContact O-N 2.98Å; Q148-W224 HydrophobicContact CB-CD2 4.08Å; Q148-W224 HydrophobicContact CB-CE3 4.12Å; Q148-W224 HydrophobicContact CB-CH2 4.12Å; Q148-W224 HydrophobicContact CB-CZ2 4.08Å; Q148-W224 HydrophobicContact CB-CZ3 4.12Å; Q148-W224 HydrophobicContact CG-CB 4.45Å; Q148-W224 HydrophobicContact CG-CD2 3.77Å; Q148-W224 HydrophobicContact CG-CE3 4.11Å; Q148-W224 HydrophobicContact CG-CG 3.92Å
149P94.2Very high94.1Very high84 Ų8457.4 Ų57.455%0.54530%0.299SS..Hα-helixtrans-59.3-38178.7-24.435000113.1V151 E152 D153P149-V151 VanDerWaalsContact C-N 3.33Å; P149-V151 PolarHBondContact O-N 2.84Å; P149-E152 PolarHBondContact O-N 3.33Å; P149-D153 PolarHBondContact O-N 3.34Å; P149-D153 VanDerWaalsContact O-N 3.11Å
150L94.9Very high94.3Very high6 Ų656.6 Ų56.63%0.03129%0.294CS..Hα-helixtrans-64.8-37.7177.3176.568.4000112L56 Q57 F60 L147 Q148 L156 V158L56-L150 HydrophobicContact CB-CD2 4.11Å; Q57-L150 VanDerWaalsContact CA-CD1 3.48Å; Q57-L150 HydrophobicContact CB-CD1 3.85Å; Q57-L150 HydrophobicContact CG-CD1 4.29Å; F60-L150 HydrophobicContact CD2-CD1 3.9Å; F60-L150 HydrophobicContact CD2-CD2 4.04Å; F60-L150 HydrophobicContact CE2-CD2 3.95Å; L147-L150 HydrophobicContact CD2-CD2 4.16Å; L147-L150 WeakPolarHBondContact O-CB 3.48Å; L147-L150 PolarHBondContact O-N 2.62Å; Q148-L150 VanDerWaalsContact C-N 3.26Å; Q148-L150 PolarHBondContact O-N 3.45Å; L150-L156 HydrophobicContact CD1-CD1 3.52Å; L150-V158 HydrophobicContact CD1-CG2 4.43Å; L150-V158 HydrophobicContact CD2-CG1 4.42Å; L150-V158 HydrophobicContact CG-CG2 4.13Å
151V96.4Very high94.6Very high0 Ų055.4 Ų55.40%029%0.291CS..Hα-helixtrans-80.8-30.1-178.8173.30000111.4L147 Q148 P149 D153 V158 I160 W224 R228L147-V151 WeakPolarHBondContact O-CG2 2.89Å; L147-V151 PolarHBondContact O-N 3.48Å; Q148-V151 PolarHBondContact O-N 2.89Å; P149-V151 VanDerWaalsContact C-N 3.33Å; P149-V151 PolarHBondContact O-N 2.84Å; V151-D153 VanDerWaalsContact C-N 3.35Å; V151-V158 HydrophobicContact CG2-CB 4.2Å; V151-V158 HydrophobicContact CG2-CG1 4.13Å; V151-I160 HydrophobicContact CG2-CD1 3.66Å; V151-I160 HydrophobicContact CG2-CG1 4.34Å; V151-W224 HydrophobicContact CB-CE3 3.85Å; V151-W224 HydrophobicContact CB-CZ3 3.95Å; V151-W224 HydrophobicContact CG1-CE3 3.7Å; V151-W224 HydrophobicContact CG1-CZ3 4.11Å; V151-W224 VanDerWaalsContact CG1-O 3.23Å; V151-W224 WeakPolarHBondContact CG1-O 3.28Å; V151-W224 HydrophobicContact CG2-CE3 4.4Å; V151-W224 HydrophobicContact CG2-CZ3 4.01Å; V151-R228 VanDerWaalsContact O-CZ 3.27Å; V151-R228 PolarHBondContact O-NH1 2.95Å; V151-R228 PolarHBondContact O-NH2 2.68Å
152E95.7Very high94.9Very high101 Ų10155.1 Ų55.147%0.47229%0.289SS..Hα-helixtrans-83.8-8.4176.6-68.2-174.1133.800113.7Q148 P149 P154 W224Q148-E152 HydrophobicContact CG-CG 4.17Å; Q148-E152 VanDerWaalsContact CG-OE2 3.23Å; Q148-E152 WeakPolarHBondContact CG-OE2 3.4Å; Q148-E152 PolarHBondContact NE2-OE2 3.16Å; Q148-E152 PolarHBondContact O-N 2.98Å; P149-E152 PolarHBondContact O-N 3.33Å; E152-P154 WeakPolarHBondContact O-CD 3.02Å; E152-W224 HydrophobicContact CG-CB 3.77Å; E152-W224 VanDerWaalsContact OE1-CB 3.31Å; E152-W224 WeakPolarHBondContact OE1-CB 3.49Å
153D96.2Very high95.5Very high16 Ų1649.2 Ų49.29%0.08627%0.268CS..  trans-60.4118.9176-171-23.9000111.2Q57 P149 V151 H155 L156Q57-D153 PolarHBondContact NE2-OD2 2.69Å; P149-D153 PolarHBondContact O-N 3.34Å; P149-D153 VanDerWaalsContact O-N 3.11Å; V151-D153 VanDerWaalsContact C-N 3.35Å; D153-H155 PolarHBondContact O-N 2.82Å; D153-H155 WeakPolarHBondContact OD1-CB 3.25Å; D153-H155 IonicContact OD1-CE1 3.97Å; D153-H155 IonicContact OD1-CG 3.5Å; D153-H155 PolarHBondContact OD1-N 3.02Å; D153-H155 IonicContact OD1-ND1 2.84Å; D153-H155 PolarHBondContact OD1-ND1 2.95Å; D153-L156 HydrophobicContact CB-CB 4.32Å; D153-L156 HydrophobicContact CB-CD1 4.18Å; D153-L156 HydrophobicContact CB-CG 4.32Å; D153-L156 PolarHBondContact O-N 3.37Å; D153-L156 VanDerWaalsContact O-N 3.14Å; D153-L156 VanDerWaalsContact O-O 3.13Å
154P96.1Very high95.9Very high117 Ų11744.9 Ų44.976%0.7625%0.248SC*.THydrogen-bonded Turntrans-67.2-15.2-177.828.4-36.5000114E152 L156E152-P154 WeakPolarHBondContact O-CD 3.02Å; P154-L156 VanDerWaalsContact C-N 3.34Å
155H96.2Very high96Very high152 Ų15245.9 Ų45.970%0.70425%0.251SS*.THydrogen-bonded Turntrans-86.1-9.9177.7-5094.5000112.6L61 D153L61-H155 HydrophobicContact CD2-CB 4.06Å; D153-H155 PolarHBondContact O-N 2.82Å; D153-H155 WeakPolarHBondContact OD1-CB 3.25Å; D153-H155 IonicContact OD1-CE1 3.97Å; D153-H155 IonicContact OD1-CG 3.5Å; D153-H155 PolarHBondContact OD1-N 3.02Å; D153-H155 IonicContact OD1-ND1 2.84Å; D153-H155 PolarHBondContact OD1-ND1 2.95Å
156L96.4Very high96.3Very high26 Ų2642.3 Ų42.314%0.13623%0.232CC..  trans-120.5140.7-174.5-61.5177.2000111.6Q57 F60 L61 L150 D153 P154 V158Q57-L156 HydrophobicContact CG-CD1 4.26Å; F60-L156 HydrophobicContact CB-CD1 4.01Å; F60-L156 HydrophobicContact CB-CD2 3.9Å; L61-L156 HydrophobicContact CD2-CD2 3.6Å; L61-L156 HydrophobicContact CD2-CG 4.09Å; L61-L156 HydrophobicContact CG-CD1 4.47Å; L61-L156 HydrophobicContact CG-CD2 4.03Å; L61-L156 HydrophobicContact CG-CG 4.43Å; L150-L156 HydrophobicContact CD1-CD1 3.52Å; D153-L156 HydrophobicContact CB-CB 4.32Å; D153-L156 HydrophobicContact CB-CD1 4.18Å; D153-L156 HydrophobicContact CB-CG 4.32Å; D153-L156 PolarHBondContact O-N 3.37Å; D153-L156 VanDerWaalsContact O-N 3.14Å; D153-L156 VanDerWaalsContact O-O 3.13Å; P154-L156 VanDerWaalsContact C-N 3.34Å; L156-V158 HydrophobicContact CB-CG2 3.73Å; L156-V158 HydrophobicContact CD1-CG2 4.33Å
157N95.9Very high96.5Very high149 Ų14941.1 Ų41.180%0.79723%0.225SC*.  trans-110.880.3169.1-176.323.9000109.8
158V96.6Very high96.7Very high12 Ų1240.6 Ų40.67%0.07322%0.222CC..  trans-89.8129.6-172-175.60000111.7L150 V151 L156 I160 R228L150-V158 HydrophobicContact CD1-CG2 4.43Å; L150-V158 HydrophobicContact CD2-CG1 4.42Å; L150-V158 HydrophobicContact CG-CG2 4.13Å; V151-V158 HydrophobicContact CG2-CB 4.2Å; V151-V158 HydrophobicContact CG2-CG1 4.13Å; L156-V158 HydrophobicContact CB-CG2 3.73Å; L156-V158 HydrophobicContact CD1-CG2 4.33Å; V158-I160 HydrophobicContact CG1-CG1 4.25Å; V158-R228 WeakPolarHBondContact O-CD 3.44Å
159A97.4Very high96.7Very high44 Ų4437.5 Ų37.536%0.36421%0.208SC..  trans-112.6136.1166.400000110.3F251A159-F251 HydrophobicContact CB-CE1 3.82Å; A159-F251 HydrophobicContact CB-CZ 4.15Å
160I97.9Very high96.8Very high9 Ų934.5 Ų34.55%0.04619%0.187CC..EExtended strand (participates in β ladder)trans-110.4115.2-177.8-60.1175000109.8M1 L144 L147 V151 V158 L225 R228 Y229 M230M1-I160 HydrophobicContact CB-CG2 4.45Å; L144-I160 HydrophobicContact CD1-CD1 3.73Å; L144-I160 HydrophobicContact CD1-CG2 3.96Å; L147-I160 HydrophobicContact CB-CD1 3.99Å; L147-I160 HydrophobicContact CD1-CD1 3.73Å; L147-I160 HydrophobicContact CD1-CG1 4.44Å; V151-I160 HydrophobicContact CG2-CD1 3.66Å; V151-I160 HydrophobicContact CG2-CG1 4.34Å; V158-I160 HydrophobicContact CG1-CG1 4.25Å; I160-L225 HydrophobicContact CD1-CD1 4.16Å; I160-R228 PolarHBondContact N-O 3.13Å; I160-Y229 HydrophobicContact CB-CD2 4.37Å; I160-Y229 HydrophobicContact CG2-CD2 4.14Å; I160-Y229 CarbonylContact O-C 3.32Å; I160-Y229 WeakPolarHBondContact O-CA 3.47Å; I160-M230 PolarHBondContact O-N 2.85Å
161I98.2Very high96.8Very high24 Ų2434.3 Ų34.312%0.12319%0.186CC..EExtended strand (participates in β ladder)trans-97.9114.8166.8-57.1170.3000108M1 F15 L163 M230 V232 M248 F251M1-I161 PolarHBondContact N-O 2.92Å; M1-I161 VanDerWaalsContact O-O 3.12Å; F15-I161 HydrophobicContact CE2-CD1 4.15Å; F15-I161 HydrophobicContact CZ-CD1 3.76Å; I161-L163 HydrophobicContact CG2-CD2 4.01Å; I161-M230 CarbonylContact C-O 3.29Å; I161-M230 WeakPolarHBondContact CA-O 3.19Å; I161-M230 HydrophobicContact CG1-CB 4.41Å; I161-V232 HydrophobicContact CG2-CG2 4.05Å; I161-M248 HydrophobicContact CD1-CB 3.92Å; I161-M248 HydrophobicContact CD1-CG 3.96Å; I161-M248 HydrophobicContact CD1-SD 4.35Å; I161-F251 HydrophobicContact CD1-CD1 4.32Å; I161-F251 HydrophobicContact CG1-CD1 3.91Å; I161-F251 HydrophobicContact CG1-CE1 3.79Å
162Q97.8Very high96.7Very high4 Ų435.3 Ų35.32%0.01919%0.192CC..EExtended strand (participates in β ladder)trans-95.1123.9172.3-176.8174-14.300110.1M1 V211 Y229 M230 L231 V232M1-Q162 WeakPolarHBondContact O-CA 3.44Å; M1-Q162 HydrophobicContact SD-CG 4.49Å; Q162-V211 PolarHBondContact NE2-O 2.98Å; Q162-Y229 HydrophobicContact CB-CE2 3.67Å; Q162-Y229 WeakPolarHBondContact CB-OH 3.25Å; Q162-Y229 VanDerWaalsContact CD-OH 3.27Å; Q162-Y229 PolarHBondContact OE1-OH 3.01Å; Q162-M230 PolarHBondContact N-O 3.18Å; Q162-L231 HydrophobicContact CB-CD1 4.09Å; Q162-L231 HydrophobicContact CG-CD1 4Å; Q162-L231 WeakPolarHBondContact O-CA 3.4Å; Q162-V232 PolarHBondContact O-N 2.92Å
163L97.6Very high96.6Very high8 Ų831.3 Ų31.34%0.04218%0.175CC..EExtended strand (participates in β ladder)trans-98.7130.2176.3-58.9178.9000111.3M1 A2 S8 V11 I161 V232 I237 M248M1-L163 PolarHBondContact O-N 3.32Å; A2-L163 HydrophobicContact CB-CB 4.13Å; A2-L163 HydrophobicContact CB-CD1 4.48Å; S8-L163 VanDerWaalsContact CA-CD1 3.49Å; V11-L163 HydrophobicContact CB-CD1 3.87Å; V11-L163 HydrophobicContact CG1-CD1 4.2Å; V11-L163 HydrophobicContact CG2-CD1 3.7Å; V11-L163 HydrophobicContact CG2-CD2 4.2Å; I161-L163 HydrophobicContact CG2-CD2 4.01Å; L163-V232 WeakPolarHBondContact CA-O 3.19Å; L163-V232 HydrophobicContact CD2-CB 3.98Å; L163-I237 HydrophobicContact CD2-CD1 3.81Å; L163-M248 HydrophobicContact CD2-CE 4.27Å
164V97.3Very high96.5Very high1 Ų131.7 Ų31.71%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-121.8160.5173.9-63.60000110.7V211 L231 V232 R233 Y234 F314V164-V211 HydrophobicContact CG1-CG1 3.66Å; V164-L231 HydrophobicContact CB-CD1 4.36Å; V164-L231 HydrophobicContact CG1-CD1 3.54Å; V164-L231 HydrophobicContact CG2-CD1 3.93Å; V164-L231 HydrophobicContact CG2-CG 4.38Å; V164-V232 PolarHBondContact N-O 3.02Å; V164-R233 HydrophobicContact CG2-CB 4.46Å; V164-R233 HydrophobicContact CG2-CG 3.84Å; V164-R233 CarbonylContact O-C 3.54Å; V164-R233 WeakPolarHBondContact O-CA 3.49Å; V164-Y234 PolarHBondContact O-N 3.06Å; V164-F314 HydrophobicContact CB-CD1 4.38Å; V164-F314 HydrophobicContact CB-CD2 4.24Å; V164-F314 HydrophobicContact CB-CE1 4.45Å; V164-F314 HydrophobicContact CB-CE2 4.3Å; V164-F314 HydrophobicContact CB-CG 4.3Å; V164-F314 HydrophobicContact CB-CZ 4.42Å; V164-F314 HydrophobicContact CG1-CD1 4.27Å; V164-F314 HydrophobicContact CG1-CD2 4.42Å; V164-F314 HydrophobicContact CG1-CE1 3.86Å; V164-F314 HydrophobicContact CG1-CE2 4.03Å; V164-F314 HydrophobicContact CG1-CZ 3.74Å; V164-F314 HydrophobicContact CG2-CB 4.44Å; V164-F314 HydrophobicContact CG2-CD1 3.98Å; V164-F314 HydrophobicContact CG2-CD2 4.46Å; V164-F314 HydrophobicContact CG2-CE1 4.41Å; V164-F314 HydrophobicContact CG2-CG 4.03Å
165R97.1Very high96.3Very high22 Ų2227.1 Ų27.18%0.08314%0.144CC..  trans-150.5155.1179.8-175.7178.6-175.3172.66.3108.9R5 T6 A169 I170 Y234 E235 Y316R5-R165 WeakPolarHBondContact O-CD 3.17Å; R5-R165 PolarHBondContact O-NH1 3.21Å; T6-R165 HydrophobicContact CG2-CB 4Å; R165-A169 HydrophobicContact CG-CB 4.39Å; R165-I170 HydrophobicContact CB-CD1 3.96Å; R165-I170 HydrophobicContact CB-CG1 3.88Å; R165-I170 HydrophobicContact CG-CG1 4.08Å; R165-I170 WeakPolarHBondContact O-CD1 3.43Å; R165-Y234 HydrophobicContact CG-CD1 3.86Å; R165-Y234 HydrophobicContact CG-CG 4.17Å; R165-Y234 VanDerWaalsContact NE-CD1 3.28Å; R165-E235 WeakPolarHBondContact CG-OE1 3.48Å; R165-Y316 WeakPolarHBondContact CA-OH 3.28Å
166D97.8Very high96.1Very high3 Ų324.6 Ų24.62%0.01614%0.139CC..  trans-52.3121.3174.7-170-43.5000110.3R168 A169 I170 E235 Y316D166-R168 PolarHBondContact O-N 3.29Å; D166-R168 WeakPolarHBondContact OD1-CB 3.44Å; D166-R168 WeakPolarHBondContact OD1-CG 3.34Å; D166-R168 IonicContact OD1-CZ 3.28Å; D166-R168 PolarHBondContact OD1-N 2.99Å; D166-R168 IonicContact OD1-NE 3.28Å; D166-R168 PolarHBondContact OD1-NE 2.89Å; D166-R168 IonicContact OD1-NH2 3.98Å; D166-R168 IonicContact OD2-CZ 2.64Å; D166-R168 IonicContact OD2-NE 3.27Å; D166-R168 PolarHBondContact OD2-NE 3.33Å; D166-R168 VanDerWaalsContact OD2-NE 3.15Å; D166-R168 IonicContact OD2-NH2 3.68Å; D166-R168 PolarHBondContact OD2-NH2 3.28Å; D166-A169 HydrophobicContact CB-CB 4.03Å; D166-A169 WeakPolarHBondContact O-CA 3.43Å; D166-A169 WeakPolarHBondContact O-CB 3.43Å; D166-A169 PolarHBondContact O-N 3.3Å; D166-I170 WeakPolarHBondContact O-CG1 3.45Å; D166-I170 PolarHBondContact O-N 3.28Å; D166-E235 WeakPolarHBondContact CB-OE1 3.14Å; D166-E235 PolarHBondContact N-OE1 2.97Å; D166-Y316 HydrophobicContact CB-CD1 3.84Å; D166-Y316 HydrophobicContact CB-CE1 3.73Å; D166-Y316 HydrophobicContact CB-CE2 4.4Å; D166-Y316 HydrophobicContact CB-CG 4.26Å; D166-Y316 PolarHBondContact N-OH 3.1Å; D166-Y316 VanDerWaalsContact N-OH 3.12Å
167P97.4Very high95.7Very high8 Ų824 Ų245%0.05214%0.139CC..Hα-helixtrans-61.5-26.4-177.323.8-32.9000112.8I170 L171 V303 C307 M311P167-I170 PolarHBondContact O-N 3.46Å; P167-L171 PolarHBondContact O-N 3.35Å; P167-V303 HydrophobicContact CB-CG1 3.84Å; P167-V303 HydrophobicContact CG-CG1 3.95Å; P167-C307 HydrophobicContact CB-CB 4.05Å; P167-C307 HydrophobicContact CG-CB 3.84Å; P167-M311 HydrophobicContact CG-CG 3.45Å; P167-M311 VanDerWaalsContact CG-CG 3.45Å; P167-M311 HydrophobicContact CG-SD 3.93Å
168R97.5Very high95.5Very high0 Ų019.4 Ų19.40%011%0.111CC..Hα-helixtrans-65.3-45.5173.9-58.4169.6-72.4-163.81.7110.1D166 L171 V172 W291 I295 V303 R317D166-R168 PolarHBondContact O-N 3.29Å; D166-R168 WeakPolarHBondContact OD1-CB 3.44Å; D166-R168 WeakPolarHBondContact OD1-CG 3.34Å; D166-R168 IonicContact OD1-CZ 3.28Å; D166-R168 PolarHBondContact OD1-N 2.99Å; D166-R168 IonicContact OD1-NE 3.28Å; D166-R168 PolarHBondContact OD1-NE 2.89Å; D166-R168 IonicContact OD1-NH2 3.98Å; D166-R168 IonicContact OD2-CZ 2.64Å; D166-R168 IonicContact OD2-NE 3.27Å; D166-R168 PolarHBondContact OD2-NE 3.33Å; D166-R168 VanDerWaalsContact OD2-NE 3.15Å; D166-R168 IonicContact OD2-NH2 3.68Å; D166-R168 PolarHBondContact OD2-NH2 3.28Å; R168-L171 PolarHBondContact O-N 2.75Å; R168-V172 WeakPolarHBondContact O-CG2 3.5Å; R168-V172 PolarHBondContact O-N 3.48Å; R168-W291 HydrophobicContact CB-CE3 3.86Å; R168-W291 HydrophobicContact CB-CH2 3.74Å; R168-W291 HydrophobicContact CB-CZ2 4.42Å; R168-W291 HydrophobicContact CB-CZ3 3.41Å; R168-W291 VanDerWaalsContact CB-CZ3 3.41Å; R168-W291 HydrophobicContact CG-CH2 4.35Å; R168-W291 HydrophobicContact CG-CZ3 4.23Å; R168-W291 VanDerWaalsContact NE-CH2 3.32Å; R168-I295 HydrophobicContact CB-CD1 4.44Å; R168-V303 HydrophobicContact CB-CG1 4.36Å; R168-V303 HydrophobicContact CG-CB 3.93Å; R168-V303 HydrophobicContact CG-CG1 3.57Å; R168-R317 PolarHBondContact NH1-O 3.27Å; R168-R317 PolarHBondContact NH2-O 3.28Å
169A96.3Very high95.1Very high1 Ų121.7 Ų21.71%0.00813%0.127CC..Hα-helixtrans-65.4-39.2175.800000112.3R165 D166 S173 W291R165-A169 HydrophobicContact CG-CB 4.39Å; D166-A169 HydrophobicContact CB-CB 4.03Å; D166-A169 WeakPolarHBondContact O-CA 3.43Å; D166-A169 WeakPolarHBondContact O-CB 3.43Å; D166-A169 PolarHBondContact O-N 3.3Å; A169-S173 WeakPolarHBondContact O-CB 3.43Å; A169-S173 PolarHBondContact O-N 2.03Å; A169-W291 HydrophobicContact CB-CB 4.37Å; A169-W291 HydrophobicContact CB-CD2 3.97Å; A169-W291 HydrophobicContact CB-CG 3.64Å
170I95.6Very high94.8Very high21 Ų2123.8 Ų23.811%0.10814%0.138CC..Hα-helixtrans-60.3-49.5176-67.1173.9000110.1T6 R165 D166 P167 V172 S173 R174T6-I170 HydrophobicContact CG2-CD1 4.28Å; R165-I170 HydrophobicContact CB-CD1 3.96Å; R165-I170 HydrophobicContact CB-CG1 3.88Å; R165-I170 HydrophobicContact CG-CG1 4.08Å; R165-I170 WeakPolarHBondContact O-CD1 3.43Å; D166-I170 WeakPolarHBondContact O-CG1 3.45Å; D166-I170 PolarHBondContact O-N 3.28Å; P167-I170 PolarHBondContact O-N 3.46Å; I170-V172 PolarHBondContact O-N 2.94Å; I170-S173 PolarHBondContact O-N 3.21Å; I170-R174 HydrophobicContact CG2-CG 4.16Å; I170-R174 WeakPolarHBondContact O-CG 3.43Å; I170-R174 PolarHBondContact O-N 3.4Å
171L95.8Very high94.4Very high3 Ų330.3 Ų30.32%0.01617%0.166CC..Hα-helixtrans-56.2-54.7-17817760.4000111.3P167 R168 S173 R174 M175 Y182 W185 L299 V303P167-L171 PolarHBondContact O-N 3.35Å; R168-L171 PolarHBondContact O-N 2.75Å; L171-S173 VanDerWaalsContact C-N 3.26Å; L171-S173 PolarHBondContact O-N 3.48Å; L171-R174 PolarHBondContact O-N 2.81Å; L171-R174 VanDerWaalsContact O-N 3.1Å; L171-M175 HydrophobicContact CD1-CG 4.34Å; L171-M175 HydrophobicContact CD1-SD 4.27Å; L171-M175 HydrophobicContact CG-SD 4.01Å; L171-M175 WeakPolarHBondContact O-CG 3.48Å; L171-M175 PolarHBondContact O-N 3.31Å; L171-Y182 HydrophobicContact CD1-CD1 4.19Å; L171-Y182 HydrophobicContact CD1-CE1 4.14Å; L171-W185 HydrophobicContact CD1-CD2 3.7Å; L171-W185 HydrophobicContact CD1-CE3 3.97Å; L171-W185 HydrophobicContact CD1-CG 3.97Å; L171-W185 HydrophobicContact CD1-CZ2 4.49Å; L171-W185 HydrophobicContact CD1-CZ3 4.47Å; L171-W185 HydrophobicContact CD2-CD2 4.31Å; L171-W185 HydrophobicContact CD2-CE3 3.7Å; L171-W185 HydrophobicContact CD2-CH2 4.33Å; L171-W185 HydrophobicContact CD2-CZ3 3.71Å; L171-W185 HydrophobicContact CG-CE3 4.4Å; L171-L299 HydrophobicContact CD2-CD2 4.38Å; L171-V303 HydrophobicContact CD2-CG2 3.56Å
172V94.4Very high94.1Very high21 Ų2130.1 Ų30.113%0.12716%0.164CC..Hα-helixtrans-55.1-46.6177.3175.50000110.6R168 I170 R174 M175 V176 W291 I295R168-V172 WeakPolarHBondContact O-CG2 3.5Å; R168-V172 PolarHBondContact O-N 3.48Å; I170-V172 PolarHBondContact O-N 2.94Å; V172-R174 VanDerWaalsContact C-N 3.28Å; V172-R174 PolarHBondContact O-N 3.45Å; V172-M175 PolarHBondContact O-N 2.99Å; V172-V176 PolarHBondContact O-N 2.98Å; V172-V176 VanDerWaalsContact O-N 3.16Å; V172-W291 HydrophobicContact CB-CB 4.18Å; V172-W291 HydrophobicContact CG1-CB 4.21Å; V172-W291 HydrophobicContact CG2-CB 4.21Å; V172-I295 HydrophobicContact CG2-CB 3.58Å; V172-I295 HydrophobicContact CG2-CD1 3.6Å; V172-I295 HydrophobicContact CG2-CG1 3.67Å
173S92.8Very high93.9Very high17 Ų1736.1 Ų36.112%0.11919%0.192CC..Hα-helixtrans-66.6-31.7-176.7-166.60000112.9R5 A169 I170 L171 A177R5-S173 PolarHBondContact NE-OG 3.06Å; R5-S173 PolarHBondContact NH2-OG 3.15Å; A169-S173 WeakPolarHBondContact O-CB 3.43Å; A169-S173 PolarHBondContact O-N 2.03Å; I170-S173 PolarHBondContact O-N 3.21Å; L171-S173 VanDerWaalsContact C-N 3.26Å; L171-S173 PolarHBondContact O-N 3.48Å; S173-A177 VanDerWaalsContact O-CB 3.24Å; S173-A177 WeakPolarHBondContact O-CB 3.26Å; S173-A177 PolarHBondContact O-N 3.02Å
174R93.6Very high93.6Very high23 Ų2338.6 Ų38.69%0.08721%0.208CC..Hα-helixtrans-77.2-35.8175.6-71-173.6-178.8173.5-1.3112.3T4 R5 I170 L171 V172 V176 A177 F178 Y182T4-R174 PolarHBondContact O-NE 3.07Å; T4-R174 PolarHBondContact O-NH2 2.76Å; T4-R174 PolarHBondContact OG1-NE 2.75Å; T4-R174 VanDerWaalsContact OG1-NE 3.08Å; T4-R174 PolarHBondContact OG1-NH2 3.33Å; T4-R174 VanDerWaalsContact OG1-NH2 3.12Å; R5-R174 HydrophobicContact CG-CG 3.79Å; I170-R174 HydrophobicContact CG2-CG 4.16Å; I170-R174 WeakPolarHBondContact O-CG 3.43Å; I170-R174 PolarHBondContact O-N 3.4Å; L171-R174 PolarHBondContact O-N 2.81Å; L171-R174 VanDerWaalsContact O-N 3.1Å; V172-R174 VanDerWaalsContact C-N 3.28Å; V172-R174 PolarHBondContact O-N 3.45Å; R174-V176 PolarHBondContact O-N 3.07Å; R174-A177 PolarHBondContact O-N 3.06Å; R174-F178 HydrophobicContact CB-CD2 4.09Å; R174-F178 HydrophobicContact CG-CD2 4.16Å; R174-F178 HydrophobicContact CG-CE2 4.21Å; R174-F178 WeakPolarHBondContact O-CA 3.48Å; R174-F178 PolarHBondContact O-N 3.33Å; R174-Y182 HydrophobicContact CB-CD1 4.33Å; R174-Y182 HydrophobicContact CB-CD2 4.22Å; R174-Y182 HydrophobicContact CB-CE1 3.87Å; R174-Y182 HydrophobicContact CB-CE2 3.78Å; R174-Y182 WeakPolarHBondContact CD-OH 3.16Å; R174-Y182 PolarHBondContact NH1-OH 2.99Å
175M93.3Very high93.5Very high22 Ų2238.6 Ų38.611%0.10821%0.208CC..Hα-helixtrans-57.2-39.2172-69.1165.167.100111.7L171 V172 Y182 W185 K186 A189 L299L171-M175 HydrophobicContact CD1-CG 4.34Å; L171-M175 HydrophobicContact CD1-SD 4.27Å; L171-M175 HydrophobicContact CG-SD 4.01Å; L171-M175 WeakPolarHBondContact O-CG 3.48Å; L171-M175 PolarHBondContact O-N 3.31Å; V172-M175 PolarHBondContact O-N 2.99Å; M175-Y182 HydrophobicContact CG-CD1 4.15Å; M175-Y182 HydrophobicContact CG-CG 4.4Å; M175-W185 HydrophobicContact CE-CB 4.31Å; M175-W185 HydrophobicContact CG-CB 4Å; M175-W185 HydrophobicContact SD-CB 4.09Å; M175-K186 HydrophobicContact CB-CG 4.45Å; M175-K186 HydrophobicContact CE-CG 3.93Å; M175-K186 WeakPolarHBondContact O-CE 3.43Å; M175-K186 PolarHBondContact O-NZ 3.16Å; M175-A189 HydrophobicContact CE-CB 3.97Å; M175-L299 HydrophobicContact CE-CD2 4.2Å; M175-L299 HydrophobicContact SD-CD2 4.17Å
176V91.2Very high93.2Very high99 Ų9941.3 Ų41.360%0.622%0.22SC*.Hα-helixtrans-74.9-47175.6177.10000111.7V172 R174V172-V176 PolarHBondContact O-N 2.98Å; V172-V176 VanDerWaalsContact O-N 3.16Å; R174-V176 PolarHBondContact O-N 3.07Å
177A87.6Confident93Very high14 Ų1443 Ų4312%0.11623%0.234CC..Hα-helixtrans-74.9-27.9-172.900000114.3S173 R174 I277S173-A177 VanDerWaalsContact O-CB 3.24Å; S173-A177 WeakPolarHBondContact O-CB 3.26Å; S173-A177 PolarHBondContact O-N 3.02Å; R174-A177 PolarHBondContact O-N 3.06Å; A177-I277 HydrophobicContact CB-CG2 3.78Å
178F92.2Very high92.8Very high51 Ų5143.7 Ų43.722%0.22424%0.236CC..  trans-131.761-174.1-49.8-60000110.2R5 R174 S180 K181 Y182R5-F178 HydrophobicContact CG-CE2 4.45Å; R174-F178 HydrophobicContact CB-CD2 4.09Å; R174-F178 HydrophobicContact CG-CD2 4.16Å; R174-F178 HydrophobicContact CG-CE2 4.21Å; R174-F178 WeakPolarHBondContact O-CA 3.48Å; R174-F178 PolarHBondContact O-N 3.33Å; F178-S180 VanDerWaalsContact C-N 3.26Å; F178-S180 PolarHBondContact O-N 3.06Å; F178-S180 VanDerWaalsContact O-N 3.16Å; F178-K181 HydrophobicContact CB-CB 4.17Å; F178-K181 PolarHBondContact O-N 3.17Å; F178-Y182 HydrophobicContact CB-CD2 3.92Å; F178-Y182 HydrophobicContact CB-CE2 4.21Å; F178-Y182 HydrophobicContact CD2-CE2 4.32Å; F178-Y182 WeakPolarHBondContact O-CD2 3.19Å; F178-Y182 PolarHBondContact O-N 3.32Å
179P89.3Confident92.5Very high61 Ų6144.8 Ų44.840%0.39625%0.245SC..G310 helixtrans-57.6-37.2-168.824.6-36000113.2Q183 K186P179-Q183 WeakPolarHBondContact O-CG 3.2Å; P179-Q183 PolarHBondContact O-N 3.39Å; P179-K186 VanDerWaalsContact CB-NZ 3.27Å
180S90.4Very high92.1Very high87 Ų8752.7 Ų52.761%0.60828%0.282SS*.G310 helixtrans-68.4-33.1177.552.70000113.5F178 Y182F178-S180 VanDerWaalsContact C-N 3.26Å; F178-S180 PolarHBondContact O-N 3.06Å; F178-S180 VanDerWaalsContact O-N 3.16Å; S180-Y182 VanDerWaalsContact C-N 3.34Å
181K88.8Confident91.8Very high146 Ų14657 Ų5764%0.63531%0.306SS*.G310 helixtrans-84.1-8.9-179.5-63.7-168.7176.9-1670114F178F178-K181 HydrophobicContact CB-CB 4.17Å; F178-K181 PolarHBondContact O-N 3.17Å
182Y92.6Very high91.2Very high20 Ų2058.5 Ų58.58%0.07832%0.321CS..G310 helixtrans-130.126.1-174.1-74.7-98.3000111.5L171 R174 M175 F178 S180 T184 W185 K186L171-Y182 HydrophobicContact CD1-CD1 4.19Å; L171-Y182 HydrophobicContact CD1-CE1 4.14Å; R174-Y182 HydrophobicContact CB-CD1 4.33Å; R174-Y182 HydrophobicContact CB-CD2 4.22Å; R174-Y182 HydrophobicContact CB-CE1 3.87Å; R174-Y182 HydrophobicContact CB-CE2 3.78Å; R174-Y182 WeakPolarHBondContact CD-OH 3.16Å; R174-Y182 PolarHBondContact NH1-OH 2.99Å; M175-Y182 HydrophobicContact CG-CD1 4.15Å; M175-Y182 HydrophobicContact CG-CG 4.4Å; F178-Y182 HydrophobicContact CB-CD2 3.92Å; F178-Y182 HydrophobicContact CB-CE2 4.21Å; F178-Y182 HydrophobicContact CD2-CE2 4.32Å; F178-Y182 WeakPolarHBondContact O-CD2 3.19Å; F178-Y182 PolarHBondContact O-N 3.32Å; S180-Y182 VanDerWaalsContact C-N 3.34Å; Y182-T184 VanDerWaalsContact C-N 3.33Å; Y182-T184 PolarHBondContact O-N 2.95Å; Y182-W185 HydrophobicContact CD1-CB 4.46Å; Y182-W185 AromaticContact CD1-CD1 3.61Å; Y182-W185 HydrophobicContact CD1-CG 4.16Å; Y182-W185 PolarHBondContact O-N 3.03Å; Y182-K186 WeakPolarHBondContact O-CG 3.42Å; Y182-K186 PolarHBondContact O-N 3.44Å; Y182-K186 VanDerWaalsContact O-N 3.11Å
183Q92.9Very high90.9Very high130 Ų13064.8 Ų64.861%0.60735%0.349SS*.Hα-helixtrans-59.7-43178.6-68.7177.8-15.100111.6P179 W185 K186 A187P179-Q183 WeakPolarHBondContact O-CG 3.2Å; P179-Q183 PolarHBondContact O-N 3.39Å; Q183-W185 PolarHBondContact O-N 2.91Å; Q183-K186 WeakPolarHBondContact O-CB 3.46Å; Q183-K186 PolarHBondContact O-N 3.12Å; Q183-A187 PolarHBondContact O-N 3.44Å
184T93Very high90.7Very high60 Ų6065.1 Ų65.137%0.36835%0.351SS..Hα-helixtrans-57-48.3176.9-45.90000112.1Y182 K186 A187 W188Y182-T184 VanDerWaalsContact C-N 3.33Å; Y182-T184 PolarHBondContact O-N 2.95Å; T184-K186 VanDerWaalsContact C-N 3.27Å; T184-K186 PolarHBondContact O-N 3.04Å; T184-A187 WeakPolarHBondContact O-CB 3.48Å; T184-A187 PolarHBondContact O-N 3.14Å; T184-W188 HydrophobicContact CG2-CD2 4.06Å; T184-W188 VanDerWaalsContact CG2-CE2 3.47Å; T184-W188 HydrophobicContact CG2-CE3 4.4Å; T184-W188 HydrophobicContact CG2-CH2 3.71Å; T184-W188 HydrophobicContact CG2-CZ2 3.29Å; T184-W188 HydrophobicContact CG2-CZ3 4.24Å; T184-W188 PolarHBondContact O-N 2.86Å
185W93.7Very high90.6Very high2 Ų267.2 Ų67.21%0.00837%0.367CS..Hα-helixtrans-62.4-32.9176-72.798000113.1L171 M175 Y182 Q183 W188 A189 V194 E200 V201 L204 L299 V302L171-W185 HydrophobicContact CD1-CD2 3.7Å; L171-W185 HydrophobicContact CD1-CE3 3.97Å; L171-W185 HydrophobicContact CD1-CG 3.97Å; L171-W185 HydrophobicContact CD1-CZ2 4.49Å; L171-W185 HydrophobicContact CD1-CZ3 4.47Å; L171-W185 HydrophobicContact CD2-CD2 4.31Å; L171-W185 HydrophobicContact CD2-CE3 3.7Å; L171-W185 HydrophobicContact CD2-CH2 4.33Å; L171-W185 HydrophobicContact CD2-CZ3 3.71Å; L171-W185 HydrophobicContact CG-CE3 4.4Å; M175-W185 HydrophobicContact CE-CB 4.31Å; M175-W185 HydrophobicContact CG-CB 4Å; M175-W185 HydrophobicContact SD-CB 4.09Å; Y182-W185 HydrophobicContact CD1-CB 4.46Å; Y182-W185 AromaticContact CD1-CD1 3.61Å; Y182-W185 HydrophobicContact CD1-CG 4.16Å; Y182-W185 PolarHBondContact O-N 3.03Å; Q183-W185 PolarHBondContact O-N 2.91Å; W185-W188 AromaticContact CD2-CE3 3.87Å; W185-W188 HydrophobicContact CD2-CE3 3.87Å; W185-W188 AromaticContact CD2-CZ3 3.83Å; W185-W188 HydrophobicContact CD2-CZ3 3.83Å; W185-W188 AromaticContact CE2-CZ3 3.86Å; W185-W188 AromaticContact CE3-CE3 3.68Å; W185-W188 HydrophobicContact CE3-CE3 3.68Å; W185-W188 AromaticContact CE3-CZ3 3.93Å; W185-W188 HydrophobicContact CE3-CZ3 3.93Å; W185-W188 HydrophobicContact CG-CE3 4.36Å; W185-W188 HydrophobicContact CG-CZ3 4.43Å; W185-W188 HydrophobicContact CH2-CZ3 4.1Å; W185-W188 HydrophobicContact CZ2-CZ3 4Å; W185-W188 HydrophobicContact CZ3-CE3 4.04Å; W185-W188 HydrophobicContact CZ3-CZ3 4.07Å; W185-A189 WeakPolarHBondContact O-CB 3.36Å; W185-A189 PolarHBondContact O-N 2.83Å; W185-V194 HydrophobicContact CZ3-CG1 4.46Å; W185-E200 HydrophobicContact CZ2-CB 4.4Å; W185-E200 PolarHBondContact NE1-OE2 2.98Å; W185-E200 VanDerWaalsContact NE1-OE2 3.11Å; W185-V201 HydrophobicContact CH2-CG2 3.95Å; W185-V201 HydrophobicContact CZ2-CG2 4.24Å; W185-L204 HydrophobicContact CH2-CB 4.43Å; W185-L204 HydrophobicContact CH2-CD2 3.56Å; W185-L204 HydrophobicContact CZ2-CB 3.97Å; W185-L204 HydrophobicContact CZ2-CD2 3.9Å; W185-L204 HydrophobicContact CZ3-CD2 4.44Å; W185-L299 HydrophobicContact CE3-CD2 4.34Å; W185-L299 HydrophobicContact CE3-CG 4.35Å; W185-V302 HydrophobicContact CH2-CG1 4.35Å
186K92Very high89.9Confident79 Ų7971.1 Ų71.134%0.34339%0.385SS..Hα-helixtrans-70.5-38.8174.9-72.5-175.6178.2-168.30112.3M175 P179 Y182 Q183 T184 A189 Q190M175-K186 HydrophobicContact CB-CG 4.45Å; M175-K186 HydrophobicContact CE-CG 3.93Å; M175-K186 WeakPolarHBondContact O-CE 3.43Å; M175-K186 PolarHBondContact O-NZ 3.16Å; P179-K186 VanDerWaalsContact CB-NZ 3.27Å; Y182-K186 WeakPolarHBondContact O-CG 3.42Å; Y182-K186 PolarHBondContact O-N 3.44Å; Y182-K186 VanDerWaalsContact O-N 3.11Å; Q183-K186 WeakPolarHBondContact O-CB 3.46Å; Q183-K186 PolarHBondContact O-N 3.12Å; T184-K186 VanDerWaalsContact C-N 3.27Å; T184-K186 PolarHBondContact O-N 3.04Å; K186-A189 WeakPolarHBondContact O-CB 3.2Å; K186-A189 PolarHBondContact O-N 2.97Å; K186-Q190 WeakPolarHBondContact O-CG 3.2Å; K186-Q190 PolarHBondContact O-N 3.05Å
187A92.3Very high89.7Confident38 Ų3873 Ų7331%0.31439%0.391SS..Hα-helixtrans-62.5-49.8174.100000110.2Q183 T184 A189 Q190 D191Q183-A187 PolarHBondContact O-N 3.44Å; T184-A187 WeakPolarHBondContact O-CB 3.48Å; T184-A187 PolarHBondContact O-N 3.14Å; A187-A189 VanDerWaalsContact C-N 3.25Å; A187-A189 PolarHBondContact O-N 3.13Å; A187-Q190 WeakPolarHBondContact O-CA 3.4Å; A187-Q190 WeakPolarHBondContact O-CB 3.41Å; A187-Q190 PolarHBondContact O-N 3.25Å; A187-D191 VanDerWaalsContact O-CG 3.32Å; A187-D191 PolarHBondContact O-N 2.99Å
188W94.1Very high90Very high22 Ų2274.8 Ų74.88%0.08340%0.399CS..Hα-helixtrans-61.4-32.2176.9-60.5-25.9000114.2T184 W185 Q190 G192 Q193 V194 P195 D198 E200 V201T184-W188 HydrophobicContact CG2-CD2 4.06Å; T184-W188 VanDerWaalsContact CG2-CE2 3.47Å; T184-W188 HydrophobicContact CG2-CE3 4.4Å; T184-W188 HydrophobicContact CG2-CH2 3.71Å; T184-W188 HydrophobicContact CG2-CZ2 3.29Å; T184-W188 HydrophobicContact CG2-CZ3 4.24Å; T184-W188 PolarHBondContact O-N 2.86Å; W185-W188 AromaticContact CD2-CE3 3.87Å; W185-W188 HydrophobicContact CD2-CE3 3.87Å; W185-W188 AromaticContact CD2-CZ3 3.83Å; W185-W188 HydrophobicContact CD2-CZ3 3.83Å; W185-W188 AromaticContact CE2-CZ3 3.86Å; W185-W188 AromaticContact CE3-CE3 3.68Å; W185-W188 HydrophobicContact CE3-CE3 3.68Å; W185-W188 AromaticContact CE3-CZ3 3.93Å; W185-W188 HydrophobicContact CE3-CZ3 3.93Å; W185-W188 HydrophobicContact CG-CE3 4.36Å; W185-W188 HydrophobicContact CG-CZ3 4.43Å; W185-W188 HydrophobicContact CH2-CZ3 4.1Å; W185-W188 HydrophobicContact CZ2-CZ3 4Å; W185-W188 HydrophobicContact CZ3-CE3 4.04Å; W185-W188 HydrophobicContact CZ3-CZ3 4.07Å; W188-Q190 PolarHBondContact O-N 3.39Å; W188-G192 WeakPolarHBondContact O-CA 3.34Å; W188-G192 PolarHBondContact O-N 2.94Å; W188-Q193 WeakPolarHBondContact CB-O 3.06Å; W188-V194 HydrophobicContact CB-CG2 3.84Å; W188-V194 HydrophobicContact CD2-CG1 4.2Å; W188-V194 HydrophobicContact CD2-CG2 4.41Å; W188-V194 HydrophobicContact CE3-CB 4.47Å; W188-V194 HydrophobicContact CE3-CG1 3.74Å; W188-V194 HydrophobicContact CE3-CG2 4.3Å; W188-V194 HydrophobicContact CG-CG2 4.28Å; W188-V194 HydrophobicContact CZ3-CG1 3.95Å; W188-P195 VanDerWaalsContact CE2-CD 3.44Å; W188-P195 HydrophobicContact CZ2-CG 4.21Å; W188-D198 HydrophobicContact CH2-CB 3.67Å; W188-D198 VanDerWaalsContact CH2-CG 3.45Å; W188-D198 WeakPolarHBondContact CH2-OD1 3.5Å; W188-D198 HydrophobicContact CZ2-CB 3.87Å; W188-D198 VanDerWaalsContact CZ2-CG 3.48Å; W188-E200 HydrophobicContact CH2-CB 3.86Å; W188-E200 HydrophobicContact CZ3-CB 4.12Å; W188-V201 HydrophobicContact CH2-CG2 4.04Å; W188-V201 HydrophobicContact CZ3-CG2 3.9Å
189A90.3Very high90Very high24 Ų2478.3 Ų78.320%0.19842%0.416CS..Hα-helixtrans-63.7-28.3173.400000112.7M175 W185 K186 A187 P296 L299M175-A189 HydrophobicContact CE-CB 3.97Å; W185-A189 WeakPolarHBondContact O-CB 3.36Å; W185-A189 PolarHBondContact O-N 2.83Å; K186-A189 WeakPolarHBondContact O-CB 3.2Å; K186-A189 PolarHBondContact O-N 2.97Å; A187-A189 VanDerWaalsContact C-N 3.25Å; A187-A189 PolarHBondContact O-N 3.13Å; A189-P296 HydrophobicContact CB-CG 3.82Å; A189-P296 WeakPolarHBondContact O-CG 3.46Å; A189-L299 HydrophobicContact CB-CD1 4.33Å; A189-L299 HydrophobicContact CB-CD2 3.89Å
190Q89.4Confident90.3Very high167 Ų16777.1 Ų77.178%0.7841%0.406SS*.Hα-helixtrans-87.1-43.4176.3-66.4174.9-13.800111.6K186 A187 W188 G192K186-Q190 WeakPolarHBondContact O-CG 3.2Å; K186-Q190 PolarHBondContact O-N 3.05Å; A187-Q190 WeakPolarHBondContact O-CA 3.4Å; A187-Q190 WeakPolarHBondContact O-CB 3.41Å; A187-Q190 PolarHBondContact O-N 3.25Å; W188-Q190 PolarHBondContact O-N 3.39Å; Q190-G192 VanDerWaalsContact C-N 3.35Å
191D88Confident90.5Very high112 Ų11273.1 Ų73.160%0.59938%0.377SS*.Hα-helixtrans-79.1-19.4-174.1-59.7-25.3000113A187 Q193A187-D191 VanDerWaalsContact O-CG 3.32Å; A187-D191 PolarHBondContact O-N 2.99Å; D191-Q193 PolarHBondContact O-N 3.38Å
192G83.9Confident90.8Very high33 Ų3371 Ų7134%0.3437%0.368SS..  trans73.43.1-179.800000114.6W188 Q190 T298W188-G192 WeakPolarHBondContact O-CA 3.34Å; W188-G192 PolarHBondContact O-N 2.94Å; Q190-G192 VanDerWaalsContact C-N 3.35Å; G192-T298 WeakPolarHBondContact O-CG2 3.49Å
193Q86.9Confident90.9Very high153 Ų15374.8 Ų74.872%0.71538%0.382SS*.  trans-114.7126.6179.1-63.8-173.7-0.200110.5W188 D191W188-Q193 WeakPolarHBondContact CB-O 3.06Å; D191-Q193 PolarHBondContact O-N 3.38Å
194V90.1Very high91Very high25 Ų2569.4 Ų69.415%0.15236%0.357CS..  trans-121.9112.5176.2-178.60000108.3W185 W188 E196 V201 L299 V302W185-V194 HydrophobicContact CZ3-CG1 4.46Å; W188-V194 HydrophobicContact CB-CG2 3.84Å; W188-V194 HydrophobicContact CD2-CG1 4.2Å; W188-V194 HydrophobicContact CD2-CG2 4.41Å; W188-V194 HydrophobicContact CE3-CB 4.47Å; W188-V194 HydrophobicContact CE3-CG1 3.74Å; W188-V194 HydrophobicContact CE3-CG2 4.3Å; W188-V194 HydrophobicContact CG-CG2 4.28Å; W188-V194 HydrophobicContact CZ3-CG1 3.95Å; V194-E196 PolarHBondContact O-N 3.35Å; V194-V201 HydrophobicContact CG1-CG2 3.76Å; V194-L299 HydrophobicContact CG2-CD1 3.84Å; V194-L299 HydrophobicContact CG2-CG 4.48Å; V194-V302 HydrophobicContact CB-CG2 3.69Å; V194-V302 HydrophobicContact CG1-CB 4.4Å; V194-V302 HydrophobicContact CG1-CG1 4.01Å; V194-V302 HydrophobicContact CG1-CG2 3.76Å; V194-V302 HydrophobicContact CG2-CG2 4.02Å
195P90.3Very high91.2Very high66 Ų6671 Ų7143%0.42936%0.359SS..  trans-69115.9175.9-12.126.4000110W188 N197 D198 V201W188-P195 VanDerWaalsContact CE2-CD 3.44Å; W188-P195 HydrophobicContact CZ2-CG 4.21Å; P195-N197 PolarHBondContact O-N 3.38Å; P195-D198 HydrophobicContact CB-CB 4.24Å; P195-D198 VanDerWaalsContact O-CB 3.28Å; P195-D198 WeakPolarHBondContact O-CB 3.49Å; P195-D198 PolarHBondContact O-N 3.31Å; P195-D198 VanDerWaalsContact O-N 3.15Å; P195-V201 WeakPolarHBondContact O-CG2 3.3Å
196E79.3Confident91.2Very high105 Ų10572.1 Ų72.149%0.49137%0.371SS..THydrogen-bonded Turntrans-64.1-27.4-173.7-61.5-170.2163.900114V194 D198 V201 K305V194-E196 PolarHBondContact O-N 3.35Å; E196-D198 VanDerWaalsContact C-N 3.34Å; E196-V201 WeakPolarHBondContact O-CG1 3.38Å; E196-K305 IonicContact OE1-NZ 3.65Å; E196-K305 PolarHBondContact OE1-NZ 3.32Å; E196-K305 IonicContact OE2-NZ 3.85Å; E196-K305 PolarHBondContact OE2-NZ 3.23Å
197N86.8Confident91.3Very high137 Ų13770.7 Ų70.773%0.73337%0.367SS*.THydrogen-bonded Turntrans-89.74-179.1-70.4-31.6000113.8P195 K202P195-N197 PolarHBondContact O-N 3.38Å; N197-K202 VanDerWaalsContact O-CE 3.22Å; N197-K202 WeakPolarHBondContact O-CE 3.32Å; N197-K202 PolarHBondContact O-NZ 2.72Å
198D94.3Very high91.6Very high53 Ų5369.5 Ų69.528%0.28336%0.357SS..SBendtrans-66.4146.2179-166.4-79.2000111.9W188 P195 E196 E200 V201 K202W188-D198 HydrophobicContact CH2-CB 3.67Å; W188-D198 VanDerWaalsContact CH2-CG 3.45Å; W188-D198 WeakPolarHBondContact CH2-OD1 3.5Å; W188-D198 HydrophobicContact CZ2-CB 3.87Å; W188-D198 VanDerWaalsContact CZ2-CG 3.48Å; P195-D198 HydrophobicContact CB-CB 4.24Å; P195-D198 VanDerWaalsContact O-CB 3.28Å; P195-D198 WeakPolarHBondContact O-CB 3.49Å; P195-D198 PolarHBondContact O-N 3.31Å; P195-D198 VanDerWaalsContact O-N 3.15Å; E196-D198 VanDerWaalsContact C-N 3.34Å; D198-E200 PolarHBondContact O-N 2.69Å; D198-E200 WeakPolarHBondContact OD1-CB 3.46Å; D198-E200 PolarHBondContact OD1-N 3.12Å; D198-V201 HydrophobicContact CB-CG2 4.31Å; D198-V201 PolarHBondContact O-N 2.67Å; D198-V201 VanDerWaalsContact O-N 3.1Å; D198-K202 PolarHBondContact O-N 2.94Å
199E92.6Very high91.7Very high124 Ų12470.4 Ų70.458%0.57936%0.363SS*.Hα-helixtrans-60.4-31.8179.5-67.6-54.6131.100112.8K202 R203E199-K202 PolarHBondContact O-N 2.85Å; E199-K202 IonicContact OE1-NZ 3.15Å; E199-K202 PolarHBondContact OE1-NZ 3.36Å; E199-R203 VanDerWaalsContact O-CB 3.3Å; E199-R203 WeakPolarHBondContact O-CB 3.46Å; E199-R203 PolarHBondContact O-N 3.26Å
200E93.9Very high91.8Very high37 Ų3773.1 Ų73.117%0.17337%0.372CS..Hα-helixtrans-67.8-35.5176-79-63.113200112.5W185 W188 D198 R203 L204W185-E200 HydrophobicContact CZ2-CB 4.4Å; W185-E200 PolarHBondContact NE1-OE2 2.98Å; W185-E200 VanDerWaalsContact NE1-OE2 3.11Å; W188-E200 HydrophobicContact CH2-CB 3.86Å; W188-E200 HydrophobicContact CZ3-CB 4.12Å; D198-E200 PolarHBondContact O-N 2.69Å; D198-E200 WeakPolarHBondContact OD1-CB 3.46Å; D198-E200 PolarHBondContact OD1-N 3.12Å; E200-R203 VanDerWaalsContact CD-NH2 3.31Å; E200-R203 PolarHBondContact O-N 3.17Å; E200-R203 IonicContact OE1-CZ 2.68Å; E200-R203 IonicContact OE1-NE 2.71Å; E200-R203 PolarHBondContact OE1-NE 3.38Å; E200-R203 IonicContact OE1-NH1 3.32Å; E200-R203 IonicContact OE1-NH2 3.9Å; E200-R203 PolarHBondContact OE1-NH2 3.39Å; E200-R203 VanDerWaalsContact OE1-NH2 3.16Å; E200-R203 IonicContact OE2-CZ 3.88Å; E200-R203 VanDerWaalsContact OE2-CZ 3.28Å; E200-R203 IonicContact OE2-NE 2.76Å; E200-R203 PolarHBondContact OE2-NE 2.85Å; E200-R203 IonicContact OE2-NH2 2.7Å; E200-R203 PolarHBondContact OE2-NH2 2.82Å; E200-L204 PolarHBondContact O-N 2.89Å
201V95.4Very high92.1Very high3 Ų366.8 Ų66.82%0.01834%0.344CS..Hα-helixtrans-70.3-42.3174.4178.60000110.4W185 W188 V194 P195 E196 D198 R203 L204 K205 V302 V306W185-V201 HydrophobicContact CH2-CG2 3.95Å; W185-V201 HydrophobicContact CZ2-CG2 4.24Å; W188-V201 HydrophobicContact CH2-CG2 4.04Å; W188-V201 HydrophobicContact CZ3-CG2 3.9Å; V194-V201 HydrophobicContact CG1-CG2 3.76Å; P195-V201 WeakPolarHBondContact O-CG2 3.3Å; E196-V201 WeakPolarHBondContact O-CG1 3.38Å; D198-V201 HydrophobicContact CB-CG2 4.31Å; D198-V201 PolarHBondContact O-N 2.67Å; D198-V201 VanDerWaalsContact O-N 3.1Å; V201-R203 VanDerWaalsContact C-N 3.32Å; V201-R203 PolarHBondContact O-N 2.82Å; V201-L204 WeakPolarHBondContact O-CB 3.36Å; V201-L204 PolarHBondContact O-N 3.11Å; V201-K205 PolarHBondContact O-N 2.85Å; V201-V302 HydrophobicContact CG1-CG1 4.12Å; V201-V302 HydrophobicContact CG2-CG1 4.39Å; V201-V306 HydrophobicContact CG1-CG1 3.79Å
202K95.2Very high92.5Very high102 Ų10262.6 Ų62.644%0.44332%0.322SS..Hα-helixtrans-60.8-41.2172.9-66.1176.9-168.5163.90111.8N197 D198 E199 K205 G206N197-K202 VanDerWaalsContact O-CE 3.22Å; N197-K202 WeakPolarHBondContact O-CE 3.32Å; N197-K202 PolarHBondContact O-NZ 2.72Å; D198-K202 PolarHBondContact O-N 2.94Å; E199-K202 PolarHBondContact O-N 2.85Å; E199-K202 IonicContact OE1-NZ 3.15Å; E199-K202 PolarHBondContact OE1-NZ 3.36Å; K202-K205 WeakPolarHBondContact O-CB 3.31Å; K202-K205 PolarHBondContact O-N 3.16Å; K202-G206 PolarHBondContact O-N 2.99Å
203R94.3Very high93.1Very high99 Ų9964.7 Ų64.737%0.37433%0.328SS..Hα-helixtrans-63.8-41.3175.6-172.2177.674.1152.3-2.1111.9E199 E200 V201 G206 N207E199-R203 VanDerWaalsContact O-CB 3.3Å; E199-R203 WeakPolarHBondContact O-CB 3.46Å; E199-R203 PolarHBondContact O-N 3.26Å; E200-R203 VanDerWaalsContact CD-NH2 3.31Å; E200-R203 PolarHBondContact O-N 3.17Å; E200-R203 IonicContact OE1-CZ 2.68Å; E200-R203 IonicContact OE1-NE 2.71Å; E200-R203 PolarHBondContact OE1-NE 3.38Å; E200-R203 IonicContact OE1-NH1 3.32Å; E200-R203 IonicContact OE1-NH2 3.9Å; E200-R203 PolarHBondContact OE1-NH2 3.39Å; E200-R203 VanDerWaalsContact OE1-NH2 3.16Å; E200-R203 IonicContact OE2-CZ 3.88Å; E200-R203 VanDerWaalsContact OE2-CZ 3.28Å; E200-R203 IonicContact OE2-NE 2.76Å; E200-R203 PolarHBondContact OE2-NE 2.85Å; E200-R203 IonicContact OE2-NH2 2.7Å; E200-R203 PolarHBondContact OE2-NH2 2.82Å; V201-R203 VanDerWaalsContact C-N 3.32Å; V201-R203 PolarHBondContact O-N 2.82Å; R203-G206 PolarHBondContact O-N 3.14Å; R203-N207 VanDerWaalsContact O-CG 3.22Å; R203-N207 PolarHBondContact O-N 3.28Å; R203-N207 PolarHBondContact O-ND2 3.01Å
204L95.6Very high93.5Very high16 Ų1657.6 Ų57.68%0.08430%0.295CS..Hα-helixtrans-59.4-49.1172.8173.865.3000110.9W185 E200 V201 G206 N207 C208 V303 V306W185-L204 HydrophobicContact CH2-CB 4.43Å; W185-L204 HydrophobicContact CH2-CD2 3.56Å; W185-L204 HydrophobicContact CZ2-CB 3.97Å; W185-L204 HydrophobicContact CZ2-CD2 3.9Å; W185-L204 HydrophobicContact CZ3-CD2 4.44Å; E200-L204 PolarHBondContact O-N 2.89Å; V201-L204 WeakPolarHBondContact O-CB 3.36Å; V201-L204 PolarHBondContact O-N 3.11Å; L204-G206 PolarHBondContact O-N 2.9Å; L204-N207 WeakPolarHBondContact O-CB 3.19Å; L204-N207 PolarHBondContact O-N 3.05Å; L204-C208 PolarHBondContact O-N 3.46Å; L204-C208 VanDerWaalsContact O-N 3.1Å; L204-V303 HydrophobicContact CD2-CG2 3.9Å; L204-V306 HydrophobicContact CD2-CG2 3.86Å; L204-V306 HydrophobicContact CG-CG2 4.13Å
205K96.4Very high93.9Very high94 Ų9456.4 Ų56.441%0.40929%0.288SS..Hα-helixtrans-56.5-51.4176.2-173.8-178.1-178.6-64.30111.5V201 K202 N207 C208 D209 V306V201-K205 PolarHBondContact O-N 2.85Å; K202-K205 WeakPolarHBondContact O-CB 3.31Å; K202-K205 PolarHBondContact O-N 3.16Å; K205-N207 VanDerWaalsContact C-N 3.28Å; K205-N207 PolarHBondContact O-N 3.15Å; K205-C208 WeakPolarHBondContact O-CA 3.36Å; K205-C208 WeakPolarHBondContact O-CB 3.44Å; K205-C208 PolarHBondContact O-N 3.24Å; K205-D209 IonicContact NZ-OD1 3.91Å; K205-D209 IonicContact NZ-OD2 2.85Å; K205-D209 PolarHBondContact NZ-OD2 2.88Å; K205-D209 PolarHBondContact O-N 3.3Å; K205-V306 HydrophobicContact CB-CB 4.14Å; K205-V306 HydrophobicContact CB-CG2 4.48Å; K205-V306 HydrophobicContact CG-CB 4.39Å
206G94.9Very high94.2Very high25 Ų2557.8 Ų57.826%0.25829%0.289SS..Hα-helixtrans-58.4-37.3179.600000113.2K202 R203 L204 D209 Q210K202-G206 PolarHBondContact O-N 2.99Å; R203-G206 PolarHBondContact O-N 3.14Å; L204-G206 PolarHBondContact O-N 2.9Å; G206-D209 PolarHBondContact O-N 3.04Å; G206-Q210 WeakPolarHBondContact O-CB 3.34Å; G206-Q210 VanDerWaalsContact O-CG 3.24Å; G206-Q210 WeakPolarHBondContact O-CG 3.29Å; G206-Q210 PolarHBondContact O-N 3.39Å
207N94.2Very high95.1Very high49 Ų4955 Ų5526%0.26228%0.277SS..Hα-helixtrans-64.9-41.4173.6-71.1-40.9000112.3R203 L204 K205 V211R203-N207 VanDerWaalsContact O-CG 3.22Å; R203-N207 PolarHBondContact O-N 3.28Å; R203-N207 PolarHBondContact O-ND2 3.01Å; L204-N207 WeakPolarHBondContact O-CB 3.19Å; L204-N207 PolarHBondContact O-N 3.05Å; K205-N207 VanDerWaalsContact C-N 3.28Å; K205-N207 PolarHBondContact O-N 3.15Å; N207-V211 WeakPolarHBondContact O-CG2 3.13Å; N207-V211 PolarHBondContact O-N 2.89Å
208C96.7Very high95.5Very high13 Ų1348.6 Ų48.69%0.08824%0.243CC..Hα-helixtrans-65.7-44.6176.9-71.20000111.2L204 K205 V211 M212 C307 A310L204-C208 PolarHBondContact O-N 3.46Å; L204-C208 VanDerWaalsContact O-N 3.1Å; K205-C208 WeakPolarHBondContact O-CA 3.36Å; K205-C208 WeakPolarHBondContact O-CB 3.44Å; K205-C208 PolarHBondContact O-N 3.24Å; C208-V211 PolarHBondContact O-N 3.32Å; C208-M212 VanDerWaalsContact O-CB 3.28Å; C208-M212 WeakPolarHBondContact O-CB 3.36Å; C208-M212 PolarHBondContact O-N 2.71Å; C208-C307 HydrophobicContact CB-CB 3.69Å; C208-C307 WeakPolarHBondContact CB-SG 3.3Å; C208-C307 WeakPolarHBondContact SG-CB 2.92Å; C208-C307 CovalentContact SG-SG 2.04Å; C208-C307 PolarHBondContact SG-SG 2.99Å; C208-A310 HydrophobicContact CB-CB 4.17Å
209D96.6Very high95.6Very high42 Ų4248.6 Ų48.623%0.22524%0.243CC..Hα-helixtrans-61-45.9177.4-65.6-19000111.2K205 G206 V211 M212 T213K205-D209 IonicContact NZ-OD1 3.91Å; K205-D209 IonicContact NZ-OD2 2.85Å; K205-D209 PolarHBondContact NZ-OD2 2.88Å; K205-D209 PolarHBondContact O-N 3.3Å; G206-D209 PolarHBondContact O-N 3.04Å; D209-V211 PolarHBondContact O-N 2.95Å; D209-M212 WeakPolarHBondContact O-CB 3.28Å; D209-M212 PolarHBondContact O-N 3.12Å; D209-T213 WeakPolarHBondContact O-CB 3.49Å; D209-T213 PolarHBondContact O-N 3.17Å; D209-T213 PolarHBondContact O-OG1 2.76Å; D209-T213 VanDerWaalsContact O-OG1 3.07Å
210Q93.6Very high95.8Very high80 Ų8046.5 Ų46.537%0.37424%0.242SC..Hα-helixtrans-59.6-44.5178.6-76.6172.415.700113.2G206 M212 S214G206-Q210 WeakPolarHBondContact O-CB 3.34Å; G206-Q210 VanDerWaalsContact O-CG 3.24Å; G206-Q210 WeakPolarHBondContact O-CG 3.29Å; G206-Q210 PolarHBondContact O-N 3.39Å; Q210-M212 VanDerWaalsContact C-N 3.34Å; Q210-S214 PolarHBondContact O-N 2.75Å; Q210-S214 VanDerWaalsContact O-N 3.11Å; Q210-S214 PolarHBondContact O-OG 3.22Å; Q210-S214 VanDerWaalsContact O-OG 3.11Å
211V94.9Very high95.9Very high34 Ų3449.1 Ų49.121%0.20625%0.253CS..Hα-helixtrans-67.1-39.6178.2174.50000110.5Q162 V164 N207 C208 D209 A215 F314Q162-V211 PolarHBondContact NE2-O 2.98Å; V164-V211 HydrophobicContact CG1-CG1 3.66Å; N207-V211 WeakPolarHBondContact O-CG2 3.13Å; N207-V211 PolarHBondContact O-N 2.89Å; C208-V211 PolarHBondContact O-N 3.32Å; D209-V211 PolarHBondContact O-N 2.95Å; V211-A215 WeakPolarHBondContact O-CB 3.06Å; V211-A215 PolarHBondContact O-N 3.17Å; V211-F314 HydrophobicContact CG1-CE2 3.97Å; V211-F314 HydrophobicContact CG1-CZ 3.89Å
212M96.3Very high96Very high25 Ų2550.5 Ų50.512%0.12326%0.262CS..Hα-helixtrans-62.7-52.3176.1-173.5-177.375.100111.5C208 D209 Q210 S214 A215 E216 P309 A310 L313C208-M212 VanDerWaalsContact O-CB 3.28Å; C208-M212 WeakPolarHBondContact O-CB 3.36Å; C208-M212 PolarHBondContact O-N 2.71Å; D209-M212 WeakPolarHBondContact O-CB 3.28Å; D209-M212 PolarHBondContact O-N 3.12Å; Q210-M212 VanDerWaalsContact C-N 3.34Å; M212-S214 VanDerWaalsContact C-N 3.31Å; M212-S214 PolarHBondContact O-N 2.93Å; M212-A215 CarbonylContact O-C 3.53Å; M212-A215 WeakPolarHBondContact O-CA 3.35Å; M212-A215 WeakPolarHBondContact O-CB 3.39Å; M212-A215 PolarHBondContact O-N 3.22Å; M212-E216 HydrophobicContact CG-CG 4.43Å; M212-E216 WeakPolarHBondContact O-CG 3.49Å; M212-E216 PolarHBondContact O-N 3.33Å; M212-P309 HydrophobicContact CE-CB 4.38Å; M212-P309 HydrophobicContact SD-CB 3.62Å; M212-A310 HydrophobicContact CB-CB 4.04Å; M212-A310 HydrophobicContact CG-CB 4.37Å; M212-A310 HydrophobicContact SD-CB 4.25Å; M212-L313 HydrophobicContact CB-CD2 4.43Å; M212-L313 HydrophobicContact CG-CD2 3.58Å
213T96.8Very high96.1Very high77 Ų7753.5 Ų53.547%0.47228%0.277SS..Hα-helixtrans-58.4-41.8179.2-60.90000112D209 A215 E216 L217D209-T213 WeakPolarHBondContact O-CB 3.49Å; D209-T213 PolarHBondContact O-N 3.17Å; D209-T213 PolarHBondContact O-OG1 2.76Å; D209-T213 VanDerWaalsContact O-OG1 3.07Å; T213-A215 VanDerWaalsContact C-N 3.31Å; T213-A215 PolarHBondContact O-N 3.14Å; T213-E216 PolarHBondContact O-N 3.11Å; T213-L217 PolarHBondContact O-N 3.07Å
214S96.1Very high96.2Very high4 Ų449.9 Ų49.93%0.02826%0.264CS..Hα-helixtrans-62.2-40.6174.3-65.20000111.8R142 Q143 L144 Q210 M212 G218R142-S214 PolarHBondContact O-OG 3.46Å; Q143-S214 WeakPolarHBondContact CA-OG 3.34Å; L144-S214 WeakPolarHBondContact CD2-O 3.45Å; L144-S214 PolarHBondContact N-OG 2.94Å; Q210-S214 PolarHBondContact O-N 2.75Å; Q210-S214 VanDerWaalsContact O-N 3.11Å; Q210-S214 PolarHBondContact O-OG 3.22Å; Q210-S214 VanDerWaalsContact O-OG 3.11Å; M212-S214 VanDerWaalsContact C-N 3.31Å; M212-S214 PolarHBondContact O-N 2.93Å; S214-G218 PolarHBondContact O-N 3Å
215A97.1Very high96.2Very high0 Ų049.2 Ų49.20%026%0.26CS..Hα-helixtrans-69.2-41177.500000112.7V211 M212 T213 L217 G218 L219 Y229 L231 L313 F314V211-A215 WeakPolarHBondContact O-CB 3.06Å; V211-A215 PolarHBondContact O-N 3.17Å; M212-A215 CarbonylContact O-C 3.53Å; M212-A215 WeakPolarHBondContact O-CA 3.35Å; M212-A215 WeakPolarHBondContact O-CB 3.39Å; M212-A215 PolarHBondContact O-N 3.22Å; T213-A215 VanDerWaalsContact C-N 3.31Å; T213-A215 PolarHBondContact O-N 3.14Å; A215-L217 VanDerWaalsContact C-N 3.34Å; A215-L217 PolarHBondContact O-N 2.81Å; A215-G218 PolarHBondContact O-N 2.93Å; A215-L219 VanDerWaalsContact O-CB 3.31Å; A215-L219 WeakPolarHBondContact O-CB 3.05Å; A215-L219 WeakPolarHBondContact O-CG 3.2Å; A215-L219 PolarHBondContact O-N 3.26Å; A215-Y229 WeakPolarHBondContact CA-OH 3.35Å; A215-L231 HydrophobicContact CB-CD1 4.31Å; A215-L231 HydrophobicContact CB-CD2 4.17Å; A215-L313 HydrophobicContact CB-CD2 4.04Å; A215-F314 HydrophobicContact CB-CE1 3.54Å; A215-F314 HydrophobicContact CB-CZ 3.87Å
216E97.4Very high96.2Very high94 Ų9451.4 Ų51.444%0.43927%0.27SS..Hα-helixtrans-59.8-44.9175.2-71.5173.1151.300111.2M212 T213 G218 L219 S220 L313M212-E216 HydrophobicContact CG-CG 4.43Å; M212-E216 WeakPolarHBondContact O-CG 3.49Å; M212-E216 PolarHBondContact O-N 3.33Å; T213-E216 PolarHBondContact O-N 3.11Å; E216-G218 PolarHBondContact O-N 3.29Å; E216-L219 PolarHBondContact O-N 2.97Å; E216-S220 WeakPolarHBondContact O-CB 3.37Å; E216-S220 PolarHBondContact O-N 3.1Å; E216-L313 HydrophobicContact CG-CD2 3.83Å
217L97.3Very high96.2Very high48 Ų4853.4 Ų53.425%0.25129%0.29SS..Hα-helixtrans-58.9-48.7173.8177.760.1000111.2L144 D145 T213 A215 L219 S220 P222 W224L144-L217 HydrophobicContact CB-CD2 4.14Å; L144-L217 HydrophobicContact CD2-CB 4.38Å; L144-L217 HydrophobicContact CD2-CD2 4.46Å; L144-L217 HydrophobicContact CD2-CG 4.32Å; L144-L217 HydrophobicContact CG-CD2 4.3Å; D145-L217 HydrophobicContact CB-CD2 3.76Å; T213-L217 PolarHBondContact O-N 3.07Å; A215-L217 VanDerWaalsContact C-N 3.34Å; A215-L217 PolarHBondContact O-N 2.81Å; L217-L219 PolarHBondContact O-N 3.48Å; L217-S220 PolarHBondContact O-N 3.21Å; L217-S220 PolarHBondContact O-OG 2.95Å; L217-P222 HydrophobicContact CD1-CG 4.04Å; L217-P222 VanDerWaalsContact O-CD 3.28Å; L217-P222 WeakPolarHBondContact O-CD 3.34Å; L217-W224 HydrophobicContact CD2-CZ2 4.25Å
218G96.8Very high96.3Very high1 Ų154.2 Ų54.21%0.0129%0.289CS..Hα-helixtrans-60.6-44.6179.200000113.4S214 A215 E216 S220 K221 Y229S214-G218 PolarHBondContact O-N 3Å; A215-G218 PolarHBondContact O-N 2.93Å; E216-G218 PolarHBondContact O-N 3.29Å; G218-S220 VanDerWaalsContact C-N 3.34Å; G218-K221 PolarHBondContact O-N 3.4Å; G218-Y229 VanDerWaalsContact C-CD1 3.45Å
219L96.4Very high96.4Very high53 Ų5354.8 Ų54.828%0.27729%0.29SS..Hα-helixtrans-72.1-26.3179.5-67172.1000112.9A215 E216 L217 K221 Y229 L231 L313 F338A215-L219 VanDerWaalsContact O-CB 3.31Å; A215-L219 WeakPolarHBondContact O-CB 3.05Å; A215-L219 WeakPolarHBondContact O-CG 3.2Å; A215-L219 PolarHBondContact O-N 3.26Å; E216-L219 PolarHBondContact O-N 2.97Å; L217-L219 PolarHBondContact O-N 3.48Å; L219-K221 PolarHBondContact O-N 3.42Å; L219-Y229 HydrophobicContact CD2-CE1 4.44Å; L219-Y229 HydrophobicContact CG-CE1 4.46Å; L219-L231 HydrophobicContact CD1-CD2 4.06Å; L219-L231 HydrophobicContact CD2-CD2 4.43Å; L219-L231 HydrophobicContact CG-CD2 4.45Å; L219-L313 HydrophobicContact CD1-CD1 4.16Å; L219-F338 HydrophobicContact CD2-CB 4.24Å
220S96.5Very high96.5Very high80 Ų8054.1 Ų54.156%0.55929%0.286SS*.Hα-helixtrans-68.4-14.817376.70000113.3E216 L217 G218E216-S220 WeakPolarHBondContact O-CB 3.37Å; E216-S220 PolarHBondContact O-N 3.1Å; L217-S220 PolarHBondContact O-N 3.21Å; L217-S220 PolarHBondContact O-OG 2.95Å; G218-S220 VanDerWaalsContact C-N 3.34Å
221K95.3Very high96.7Very high93 Ų9350.6 Ų50.640%0.40427%0.269SS..  trans50.158175.9-63167.6-176.4171.20112.6G218 L219 S339G218-K221 PolarHBondContact O-N 3.4Å; L219-K221 PolarHBondContact O-N 3.42Å; K221-S339 VanDerWaalsContact CE-OXT 3.23Å; K221-S339 WeakPolarHBondContact CE-OXT 3.02Å; K221-S339 PolarHBondContact NZ-O 3.41Å; K221-S339 PolarHBondContact NZ-OXT 3.26Å
222P97.3Very high96.8Very high32 Ų3249.1 Ų49.121%0.20826%0.261CS..  trans-57.8158.6173.828.8-36.2000110.1L217 W224 L225 K226L217-P222 HydrophobicContact CD1-CG 4.04Å; L217-P222 VanDerWaalsContact O-CD 3.28Å; L217-P222 WeakPolarHBondContact O-CD 3.34Å; P222-W224 HydrophobicContact CG-CD2 4.45Å; P222-W224 HydrophobicContact CG-CZ2 4.23Å; P222-W224 PolarHBondContact O-N 3.11Å; P222-W224 VanDerWaalsContact O-N 3.1Å; P222-L225 HydrophobicContact CG-CB 3.8Å; P222-L225 CarbonylContact O-C 3.58Å; P222-L225 PolarHBondContact O-N 3.36Å; P222-K226 PolarHBondContact O-N 3.36Å
223Q96.9Very high96.8Very high164 Ų16448.2 Ų48.277%0.76626%0.256SS*.THydrogen-bonded Turntrans-51.7-42.1-171.7-177.860.919.300113L225Q223-L225 VanDerWaalsContact C-N 3.26Å; Q223-L225 PolarHBondContact O-N 3.39Å
224W96.5Very high96.7Very high24 Ų2446 Ų469%0.09124%0.239CC..THydrogen-bonded Turntrans-67.9-22.617967.8-99.2000113.4L144 Q148 V151 E152 L217 P222 R228L144-W224 HydrophobicContact CG-CH2 4.34Å; Q148-W224 HydrophobicContact CB-CD2 4.08Å; Q148-W224 HydrophobicContact CB-CE3 4.12Å; Q148-W224 HydrophobicContact CB-CH2 4.12Å; Q148-W224 HydrophobicContact CB-CZ2 4.08Å; Q148-W224 HydrophobicContact CB-CZ3 4.12Å; Q148-W224 HydrophobicContact CG-CB 4.45Å; Q148-W224 HydrophobicContact CG-CD2 3.77Å; Q148-W224 HydrophobicContact CG-CE3 4.11Å; Q148-W224 HydrophobicContact CG-CG 3.92Å; V151-W224 HydrophobicContact CB-CE3 3.85Å; V151-W224 HydrophobicContact CB-CZ3 3.95Å; V151-W224 HydrophobicContact CG1-CE3 3.7Å; V151-W224 HydrophobicContact CG1-CZ3 4.11Å; V151-W224 VanDerWaalsContact CG1-O 3.23Å; V151-W224 WeakPolarHBondContact CG1-O 3.28Å; V151-W224 HydrophobicContact CG2-CE3 4.4Å; V151-W224 HydrophobicContact CG2-CZ3 4.01Å; E152-W224 HydrophobicContact CG-CB 3.77Å; E152-W224 VanDerWaalsContact OE1-CB 3.31Å; E152-W224 WeakPolarHBondContact OE1-CB 3.49Å; L217-W224 HydrophobicContact CD2-CZ2 4.25Å; P222-W224 HydrophobicContact CG-CD2 4.45Å; P222-W224 HydrophobicContact CG-CZ2 4.23Å; P222-W224 PolarHBondContact O-N 3.11Å; P222-W224 VanDerWaalsContact O-N 3.1Å; W224-R228 VanDerWaalsContact O-CZ 3.23Å; W224-R228 PolarHBondContact O-NE 2.9Å; W224-R228 VanDerWaalsContact O-NE 3.15Å; W224-R228 PolarHBondContact O-NH2 3.15Å
225L96.6Very high96.7Very high1 Ų146.5 Ų46.51%0.00524%0.241CC..THydrogen-bonded Turntrans-110.3-4.2-174.5-165.555.5000113.7L144 I160 P222 Q223 G227 R228 Y229L144-L225 HydrophobicContact CD2-CD2 3.7Å; L144-L225 HydrophobicContact CG-CD2 4.23Å; I160-L225 HydrophobicContact CD1-CD1 4.16Å; P222-L225 HydrophobicContact CG-CB 3.8Å; P222-L225 CarbonylContact O-C 3.58Å; P222-L225 PolarHBondContact O-N 3.36Å; Q223-L225 VanDerWaalsContact C-N 3.26Å; Q223-L225 PolarHBondContact O-N 3.39Å; L225-G227 PolarHBondContact O-N 2.84Å; L225-R228 HydrophobicContact CD1-CB 4.15Å; L225-R228 PolarHBondContact O-N 3.35Å; L225-Y229 HydrophobicContact CD2-CD2 4.18Å; L225-Y229 HydrophobicContact CD2-CG 4.16Å; L225-Y229 HydrophobicContact CG-CG 4.48Å
226K95.5Very high96.5Very high141 Ų14147.5 Ų47.561%0.61325%0.247SC*.THydrogen-bonded Turntrans-56.2121.7-178-171.2176.7-178.2178.10111.1P222 R228P222-K226 PolarHBondContact O-N 3.36Å; K226-R228 PolarHBondContact O-N 3.02Å
227G95.2Very high96.3Very high67 Ų6743 Ų4369%0.69123%0.226SC*.THydrogen-bonded Turntrans74.63.4-177.800000115.1L225L225-G227 PolarHBondContact O-N 2.84Å
228R97Very high96Very high65 Ų6540.8 Ų40.825%0.24521%0.214CC..SBendtrans-11810.5-175.1-63.4-166.5-81.9-175.60.5113.7V151 V158 I160 W224 L225 K226V151-R228 VanDerWaalsContact O-CZ 3.27Å; V151-R228 PolarHBondContact O-NH1 2.95Å; V151-R228 PolarHBondContact O-NH2 2.68Å; V158-R228 WeakPolarHBondContact O-CD 3.44Å; I160-R228 PolarHBondContact N-O 3.13Å; W224-R228 VanDerWaalsContact O-CZ 3.23Å; W224-R228 PolarHBondContact O-NE 2.9Å; W224-R228 VanDerWaalsContact O-NE 3.15Å; W224-R228 PolarHBondContact O-NH2 3.15Å; L225-R228 HydrophobicContact CD1-CB 4.15Å; L225-R228 PolarHBondContact O-N 3.35Å; K226-R228 PolarHBondContact O-N 3.02Å
229Y98.1Very high95.6Very high25 Ų2547 Ų4710%0.09824%0.237CC..EExtended strand (participates in β ladder)trans-129.5135.1176.9178.1-92.6000112.8L144 I160 Q162 A215 G218 L219 L225 L231L144-Y229 HydrophobicContact CD1-CD2 4.3Å; L144-Y229 HydrophobicContact CD1-CE2 4.36Å; L144-Y229 HydrophobicContact CD2-CD2 3.77Å; L144-Y229 HydrophobicContact CD2-CE2 3.59Å; I160-Y229 HydrophobicContact CB-CD2 4.37Å; I160-Y229 HydrophobicContact CG2-CD2 4.14Å; I160-Y229 CarbonylContact O-C 3.32Å; I160-Y229 WeakPolarHBondContact O-CA 3.47Å; Q162-Y229 HydrophobicContact CB-CE2 3.67Å; Q162-Y229 WeakPolarHBondContact CB-OH 3.25Å; Q162-Y229 VanDerWaalsContact CD-OH 3.27Å; Q162-Y229 PolarHBondContact OE1-OH 3.01Å; A215-Y229 WeakPolarHBondContact CA-OH 3.35Å; G218-Y229 VanDerWaalsContact C-CD1 3.45Å; L219-Y229 HydrophobicContact CD2-CE1 4.44Å; L219-Y229 HydrophobicContact CG-CE1 4.46Å; L225-Y229 HydrophobicContact CD2-CD2 4.18Å; L225-Y229 HydrophobicContact CD2-CG 4.16Å; L225-Y229 HydrophobicContact CG-CG 4.48Å; Y229-L231 HydrophobicContact CE1-CB 3.85Å
230M97.8Very high95.4Very high28 Ų2849.4 Ų49.414%0.13824%0.243CC..EExtended strand (participates in β ladder)trans-133.1129.7173.2-175.8-171.7-16900109.5I160 I161 Q162 V232 E247 M248 F251I160-M230 PolarHBondContact O-N 2.85Å; I161-M230 CarbonylContact C-O 3.29Å; I161-M230 WeakPolarHBondContact CA-O 3.19Å; I161-M230 HydrophobicContact CG1-CB 4.41Å; Q162-M230 PolarHBondContact N-O 3.18Å; M230-V232 HydrophobicContact CE-CG2 3.66Å; M230-V232 HydrophobicContact CG-CG2 3.73Å; M230-V232 HydrophobicContact SD-CG2 3.75Å; M230-E247 HydrophobicContact CE-CB 3.98Å; M230-M248 HydrophobicContact CE-CG 4.24Å; M230-M248 HydrophobicContact SD-CG 3.98Å; M230-F251 HydrophobicContact CB-CD1 3.67Å; M230-F251 HydrophobicContact CB-CD2 4.03Å; M230-F251 HydrophobicContact CB-CE1 3.51Å; M230-F251 HydrophobicContact CB-CE2 3.88Å; M230-F251 HydrophobicContact CB-CG 3.93Å; M230-F251 HydrophobicContact CB-CZ 3.62Å; M230-F251 HydrophobicContact CG-CD1 4.39Å; M230-F251 HydrophobicContact CG-CG 4.4Å; M230-F251 HydrophobicContact SD-CB 3.97Å; M230-F251 HydrophobicContact SD-CD1 3.91Å; M230-F251 HydrophobicContact SD-CG 3.94Å
231L97.8Very high95.2Very high6 Ų646.4 Ų46.43%0.03122%0.222CC..EExtended strand (participates in β ladder)trans-102.5128.7173.2179.567.6000109.5Q162 V164 A215 L219 Y229 F314 F338Q162-L231 HydrophobicContact CB-CD1 4.09Å; Q162-L231 HydrophobicContact CG-CD1 4Å; Q162-L231 WeakPolarHBondContact O-CA 3.4Å; V164-L231 HydrophobicContact CB-CD1 4.36Å; V164-L231 HydrophobicContact CG1-CD1 3.54Å; V164-L231 HydrophobicContact CG2-CD1 3.93Å; V164-L231 HydrophobicContact CG2-CG 4.38Å; A215-L231 HydrophobicContact CB-CD1 4.31Å; A215-L231 HydrophobicContact CB-CD2 4.17Å; L219-L231 HydrophobicContact CD1-CD2 4.06Å; L219-L231 HydrophobicContact CD2-CD2 4.43Å; L219-L231 HydrophobicContact CG-CD2 4.45Å; Y229-L231 HydrophobicContact CE1-CB 3.85Å; L231-F314 HydrophobicContact CD1-CE1 4.42Å; L231-F314 HydrophobicContact CD2-CD1 4.02Å; L231-F314 HydrophobicContact CD2-CE1 3.96Å; L231-F338 HydrophobicContact CB-CB 4Å; L231-F338 HydrophobicContact CB-CG 4.26Å; L231-F338 HydrophobicContact CD2-CB 4.32Å; L231-F338 HydrophobicContact CD2-CD1 3.56Å; L231-F338 HydrophobicContact CD2-CE1 3.94Å; L231-F338 HydrophobicContact CD2-CG 3.88Å; L231-F338 HydrophobicContact CG-CB 4.46Å; L231-F338 HydrophobicContact CG-CD1 4.34Å; L231-F338 HydrophobicContact CG-CG 4.18Å
232V97.3Very high95Very high4 Ų444.3 Ų44.32%0.02421%0.214CC..EExtended strand (participates in β ladder)trans-134.2132.7-179.2-1650000111.4I161 Q162 L163 V164 M230 I237 K244 M248I161-V232 HydrophobicContact CG2-CG2 4.05Å; Q162-V232 PolarHBondContact O-N 2.92Å; L163-V232 WeakPolarHBondContact CA-O 3.19Å; L163-V232 HydrophobicContact CD2-CB 3.98Å; V164-V232 PolarHBondContact N-O 3.02Å; M230-V232 HydrophobicContact CE-CG2 3.66Å; M230-V232 HydrophobicContact CG-CG2 3.73Å; M230-V232 HydrophobicContact SD-CG2 3.75Å; V232-I237 HydrophobicContact CB-CD1 4.3Å; V232-I237 HydrophobicContact CG1-CD1 3.67Å; V232-I237 HydrophobicContact CG1-CG1 3.67Å; V232-K244 HydrophobicContact CG1-CD 4.31Å; V232-M248 HydrophobicContact CB-CE 3.91Å; V232-M248 HydrophobicContact CG1-CE 3.65Å; V232-M248 HydrophobicContact CG2-CE 3.85Å
233R96.4Very high94.9Very high6 Ų647.4 Ų47.42%0.02323%0.226CC..EExtended strand (participates in β ladder)trans-81.7138.8173.7-60.1-178.3-63-171.53.9110.9V164 E235 D236 I237 F314 G315 E334 F338V164-R233 HydrophobicContact CG2-CB 4.46Å; V164-R233 HydrophobicContact CG2-CG 3.84Å; V164-R233 CarbonylContact O-C 3.54Å; V164-R233 WeakPolarHBondContact O-CA 3.49Å; R233-E235 PolarHBondContact O-N 3.48Å; R233-D236 HydrophobicContact CB-CB 4.45Å; R233-D236 WeakPolarHBondContact CB-OD2 3.39Å; R233-D236 IonicContact CZ-OD1 3.06Å; R233-D236 IonicContact CZ-OD2 3.27Å; R233-D236 IonicContact NE-OD1 2.91Å; R233-D236 IonicContact NE-OD2 3.64Å; R233-D236 PolarHBondContact NE-OD2 3.36Å; R233-D236 IonicContact NH2-OD1 2.96Å; R233-D236 PolarHBondContact NH2-OD1 3.4Å; R233-D236 IonicContact NH2-OD2 2.71Å; R233-D236 PolarHBondContact NH2-OD2 2.85Å; R233-D236 PolarHBondContact O-N 3.5Å; R233-I237 PolarHBondContact O-N 3.35Å; R233-F314 WeakPolarHBondContact CD-O 3.35Å; R233-F314 PolarHBondContact NH1-O 3.45Å; R233-F314 VanDerWaalsContact NH1-O 3.13Å; R233-G315 PolarHBondContact NH1-O 2.82Å; R233-E334 PolarHBondContact NH1-O 3.38Å; R233-E334 PolarHBondContact NH2-O 2.98Å; R233-F338 HydrophobicContact CG-CE2 3.68Å; R233-F338 HydrophobicContact CG-CZ 4Å
234Y95.8Very high94.8Very high29 Ų2941.2 Ų41.211%0.11420%0.196CC..Hα-helixtrans-55.1-40.2172.6172.1-108.8000112.2T6 V164 R165 D236 I237 A238 A288T6-Y234 WeakPolarHBondContact O-CD2 3.45Å; V164-Y234 PolarHBondContact O-N 3.06Å; R165-Y234 HydrophobicContact CG-CD1 3.86Å; R165-Y234 HydrophobicContact CG-CG 4.17Å; R165-Y234 VanDerWaalsContact NE-CD1 3.28Å; Y234-D236 VanDerWaalsContact C-N 3.33Å; Y234-D236 PolarHBondContact O-N 3.33Å; Y234-I237 PolarHBondContact O-N 3.43Å; Y234-A238 HydrophobicContact CE1-CB 4.49Å; Y234-A238 WeakPolarHBondContact O-CB 3.36Å; Y234-A238 PolarHBondContact O-N 3.05Å; Y234-A288 HydrophobicContact CE1-CB 3.94Å
235E94.6Very high94.8Very high15 Ų1540 Ų407%0.0719%0.192CC..Hα-helixtrans-66.4-35.7-177.2-61.977.9-168.200112R165 D166 R233 A238 R239 Y316 L333R165-E235 WeakPolarHBondContact CG-OE1 3.48Å; D166-E235 WeakPolarHBondContact CB-OE1 3.14Å; D166-E235 PolarHBondContact N-OE1 2.97Å; R233-E235 PolarHBondContact O-N 3.48Å; E235-A238 PolarHBondContact O-N 3.14Å; E235-R239 VanDerWaalsContact O-CB 3.31Å; E235-R239 WeakPolarHBondContact O-CB 3.45Å; E235-R239 PolarHBondContact O-N 2.92Å; E235-Y316 HydrophobicContact CG-CE1 4.49Å; E235-Y316 WeakPolarHBondContact OE2-CE1 3.22Å; E235-Y316 PolarHBondContact OE2-OH 2.85Å; E235-L333 HydrophobicContact CB-CD1 3.63Å; E235-L333 HydrophobicContact CB-CD2 4.15Å; E235-L333 HydrophobicContact CG-CD1 4.34Å; E235-L333 HydrophobicContact CG-CD2 4.14Å
236D94Very high94.8Very high22 Ų2244 Ų4412%0.11821%0.211CC..Hα-helixtrans-67.9-40175.4-62.5-33.1000111R233 Y234 A238 R239 Y240 K244R233-D236 HydrophobicContact CB-CB 4.45Å; R233-D236 WeakPolarHBondContact CB-OD2 3.39Å; R233-D236 IonicContact CZ-OD1 3.06Å; R233-D236 IonicContact CZ-OD2 3.27Å; R233-D236 IonicContact NE-OD1 2.91Å; R233-D236 IonicContact NE-OD2 3.64Å; R233-D236 PolarHBondContact NE-OD2 3.36Å; R233-D236 IonicContact NH2-OD1 2.96Å; R233-D236 PolarHBondContact NH2-OD1 3.4Å; R233-D236 IonicContact NH2-OD2 2.71Å; R233-D236 PolarHBondContact NH2-OD2 2.85Å; R233-D236 PolarHBondContact O-N 3.5Å; Y234-D236 VanDerWaalsContact C-N 3.33Å; Y234-D236 PolarHBondContact O-N 3.33Å; D236-A238 VanDerWaalsContact C-N 3.33Å; D236-R239 PolarHBondContact O-N 3.1Å; D236-Y240 PolarHBondContact O-N 3.46Å; D236-K244 HydrophobicContact CB-CD 4.15Å; D236-K244 HydrophobicContact CB-CG 4.35Å
237I93.8Very high94.9Very high0 Ų040.2 Ų40.20%020%0.195CC..Hα-helixtrans-64.7-41.3174.8-63155.2000110.4F10 V11 F14 L163 V232 R233 Y234 R239 P241 K244 M248F10-I237 HydrophobicContact CD1-CG2 3.98Å; F10-I237 HydrophobicContact CE1-CG2 3.91Å; V11-I237 HydrophobicContact CG2-CD1 3.64Å; V11-I237 HydrophobicContact CG2-CG2 4.27Å; F14-I237 HydrophobicContact CE2-CG2 3.91Å; F14-I237 HydrophobicContact CZ-CG2 3.82Å; L163-I237 HydrophobicContact CD2-CD1 3.81Å; V232-I237 HydrophobicContact CB-CD1 4.3Å; V232-I237 HydrophobicContact CG1-CD1 3.67Å; V232-I237 HydrophobicContact CG1-CG1 3.67Å; R233-I237 PolarHBondContact O-N 3.35Å; Y234-I237 PolarHBondContact O-N 3.43Å; I237-R239 VanDerWaalsContact C-N 3.31Å; I237-R239 PolarHBondContact O-N 3.43Å; I237-P241 WeakPolarHBondContact O-CA 3.14Å; I237-P241 WeakPolarHBondContact O-CB 3.23Å; I237-P241 WeakPolarHBondContact O-CD 3.23Å; I237-P241 VanDerWaalsContact O-N 3.11Å; I237-K244 HydrophobicContact CG1-CB 4.07Å; I237-K244 HydrophobicContact CG1-CG 4.41Å; I237-M248 HydrophobicContact CD1-CE 3.56Å; I237-M248 HydrophobicContact CG1-CE 3.71Å
238A91.3Very high95Very high1 Ų137.1 Ų37.11%0.00816%0.162CC..Hα-helixtrans-67.3-33.5179.500000112.7Y234 E235 D236 S284 S285 A288Y234-A238 HydrophobicContact CE1-CB 4.49Å; Y234-A238 WeakPolarHBondContact O-CB 3.36Å; Y234-A238 PolarHBondContact O-N 3.05Å; E235-A238 PolarHBondContact O-N 3.14Å; D236-A238 VanDerWaalsContact C-N 3.33Å; A238-S284 WeakPolarHBondContact CB-O 3.44Å; A238-S284 WeakPolarHBondContact O-CB 3.47Å; A238-S284 PolarHBondContact O-OG 3.14Å; A238-S285 PolarHBondContact O-N 3.28Å; A238-S285 PolarHBondContact O-OG 3.48Å; A238-A288 HydrophobicContact CB-CB 3.71Å
239R88.5Confident95Very high131 Ų13134 Ų3449%0.49415%0.151SC..Hα-helixtrans-82.9-39.3179.5-168.6172.5177.7167-0.1113.1E235 D236 I237 S285E235-R239 VanDerWaalsContact O-CB 3.31Å; E235-R239 WeakPolarHBondContact O-CB 3.45Å; E235-R239 PolarHBondContact O-N 2.92Å; D236-R239 PolarHBondContact O-N 3.1Å; I237-R239 VanDerWaalsContact C-N 3.31Å; I237-R239 PolarHBondContact O-N 3.43Å; R239-S285 WeakPolarHBondContact CA-OG 3.24Å
240Y90.6Very high95Very high103 Ų10341.4 Ų41.440%0.40418%0.183SC..SBendtrans-131.962-175.4-52.8-66.8000111.6D236 M242 Q243 K244D236-Y240 PolarHBondContact O-N 3.46Å; Y240-M242 PolarHBondContact O-N 3.21Å; Y240-Q243 PolarHBondContact O-N 2.76Å; Y240-K244 WeakPolarHBondContact O-CB 3.03Å; Y240-K244 WeakPolarHBondContact O-CG 3.36Å; Y240-K244 PolarHBondContact O-N 2.73Å
241P92.6Very high95Very high18 Ų1842.6 Ų42.612%0.11719%0.188CC..Hα-helixtrans-61.7-42.5-169.822.2-33.1000113.4F10 F14 I237 A245 I264 T268F10-P241 HydrophobicContact CE1-CB 4.42Å; F10-P241 HydrophobicContact CZ-CB 4.48Å; F14-P241 HydrophobicContact CZ-CB 4.34Å; I237-P241 WeakPolarHBondContact O-CA 3.14Å; I237-P241 WeakPolarHBondContact O-CB 3.23Å; I237-P241 WeakPolarHBondContact O-CD 3.23Å; I237-P241 VanDerWaalsContact O-N 3.11Å; P241-A245 VanDerWaalsContact O-CB 3.26Å; P241-A245 WeakPolarHBondContact O-CB 3.4Å; P241-A245 PolarHBondContact O-N 3.39Å; P241-I264 HydrophobicContact CB-CG2 4.01Å; P241-T268 HydrophobicContact CB-CG2 3.77Å; P241-T268 HydrophobicContact CG-CG2 3.75Å
242M92.3Very high95Very high49 Ų4943.6 Ų43.624%0.24120%0.197CC..Hα-helixtrans-64.4-47.8178.6-175.660.366.600111.9Y240 A245 E246 F256 R261 I264 L265Y240-M242 PolarHBondContact O-N 3.21Å; M242-A245 PolarHBondContact O-N 2.96Å; M242-E246 PolarHBondContact O-N 3.23Å; M242-F256 HydrophobicContact SD-CE1 3.68Å; M242-F256 HydrophobicContact SD-CZ 3.7Å; M242-R261 HydrophobicContact CE-CB 4.1Å; M242-R261 HydrophobicContact CE-CG 4.47Å; M242-R261 WeakPolarHBondContact CE-O 3.35Å; M242-R261 HydrophobicContact SD-CB 4.29Å; M242-R261 HydrophobicContact SD-CG 4.01Å; M242-I264 HydrophobicContact CE-CB 4.19Å; M242-I264 HydrophobicContact CE-CG2 4.12Å; M242-L265 HydrophobicContact CE-CD1 4.22Å; M242-L265 HydrophobicContact CE-CD2 3.79Å; M242-L265 HydrophobicContact CE-CG 3.56Å
243Q93.6Very high94.9Very high96 Ų9646.3 Ų46.345%0.44923%0.226SC..Hα-helixtrans-62.1-47.7179.1-176.6-170.2-23.600111Y240 A245 E246 E247Y240-Q243 PolarHBondContact O-N 2.76Å; Q243-A245 VanDerWaalsContact C-N 3.34Å; Q243-A245 PolarHBondContact O-N 2.78Å; Q243-E246 PolarHBondContact O-N 3.19Å; Q243-E247 WeakPolarHBondContact CG-OE1 3.34Å; Q243-E247 PolarHBondContact NE2-OE1 2.88Å; Q243-E247 WeakPolarHBondContact O-CG 3.29Å; Q243-E247 PolarHBondContact O-N 3.28Å
244K95.4Very high94.9Very high34 Ų3446.9 Ų46.915%0.14823%0.229CC..Hα-helixtrans-68.2-33.9-178.7-67.5-69.9155.4-165.10112.4V232 D236 I237 Y240 E247 M248V232-K244 HydrophobicContact CG1-CD 4.31Å; D236-K244 HydrophobicContact CB-CD 4.15Å; D236-K244 HydrophobicContact CB-CG 4.35Å; I237-K244 HydrophobicContact CG1-CB 4.07Å; I237-K244 HydrophobicContact CG1-CG 4.41Å; Y240-K244 WeakPolarHBondContact O-CB 3.03Å; Y240-K244 WeakPolarHBondContact O-CG 3.36Å; Y240-K244 PolarHBondContact O-N 2.73Å; K244-E247 WeakPolarHBondContact CD-OE2 3.23Å; K244-E247 WeakPolarHBondContact CE-OE2 3.5Å; K244-E247 IonicContact NZ-OE1 3.89Å; K244-E247 PolarHBondContact NZ-OE1 3.13Å; K244-E247 IonicContact NZ-OE2 3.01Å; K244-E247 PolarHBondContact NZ-OE2 3.08Å; K244-M248 VanDerWaalsContact O-CG 3.23Å; K244-M248 WeakPolarHBondContact O-CG 3.14Å; K244-M248 PolarHBondContact O-N 2.97Å
245A96.6Very high94.9Very high0 Ų049.7 Ų49.70%025%0.251CS..Hα-helixtrans-61.8-47.8170.500000111.3F14 P241 M242 Q243 E247 M248 Y249 F256 I264F14-A245 HydrophobicContact CD2-CB 3.65Å; F14-A245 HydrophobicContact CE2-CB 3.75Å; F14-A245 HydrophobicContact CG-CB 4.15Å; F14-A245 HydrophobicContact CZ-CB 4.32Å; P241-A245 VanDerWaalsContact O-CB 3.26Å; P241-A245 WeakPolarHBondContact O-CB 3.4Å; P241-A245 PolarHBondContact O-N 3.39Å; M242-A245 PolarHBondContact O-N 2.96Å; Q243-A245 VanDerWaalsContact C-N 3.34Å; Q243-A245 PolarHBondContact O-N 2.78Å; A245-E247 VanDerWaalsContact C-N 3.35Å; A245-E247 PolarHBondContact O-N 3.23Å; A245-M248 PolarHBondContact O-N 3.03Å; A245-M248 VanDerWaalsContact O-N 3.17Å; A245-Y249 VanDerWaalsContact O-CD2 3.25Å; A245-Y249 WeakPolarHBondContact O-CD2 3.26Å; A245-Y249 PolarHBondContact O-N 3.22Å; A245-F256 HydrophobicContact CB-CE1 4.19Å; A245-F256 HydrophobicContact CB-CE2 4.34Å; A245-F256 HydrophobicContact CB-CZ 3.7Å; A245-I264 HydrophobicContact CB-CD1 3.44Å; A245-I264 VanDerWaalsContact CB-CD1 3.44Å
246E96.6Very high95Very high85 Ų8550.2 Ų50.240%0.39725%0.253SS..Hα-helixtrans-60.7-42.1178.8-171.5158.3-119.500112.6M242 Q243 Y249 K250 F256 R261M242-E246 PolarHBondContact O-N 3.23Å; Q243-E246 PolarHBondContact O-N 3.19Å; E246-Y249 PolarHBondContact O-N 3.08Å; E246-K250 WeakPolarHBondContact O-CB 3.24Å; E246-K250 PolarHBondContact O-N 2.94Å; E246-F256 HydrophobicContact CB-CD1 3.71Å; E246-F256 HydrophobicContact CB-CE1 3.77Å; E246-F256 HydrophobicContact CG-CD1 3.95Å; E246-F256 HydrophobicContact CG-CE1 4.45Å; E246-R261 IonicContact OE1-CZ 3.38Å; E246-R261 IonicContact OE1-NH1 3.06Å; E246-R261 PolarHBondContact OE1-NH1 3.4Å; E246-R261 IonicContact OE1-NH2 2.76Å; E246-R261 PolarHBondContact OE1-NH2 2.99Å
247E97.1Very high95.1Very high61 Ų6150.4 Ų50.429%0.28526%0.256SS..Hα-helixtrans-59.3-45.8173.2-71.3172.5-158.900111.8M230 Q243 K244 A245 K250 F251M230-E247 HydrophobicContact CE-CB 3.98Å; Q243-E247 WeakPolarHBondContact CG-OE1 3.34Å; Q243-E247 PolarHBondContact NE2-OE1 2.88Å; Q243-E247 WeakPolarHBondContact O-CG 3.29Å; Q243-E247 PolarHBondContact O-N 3.28Å; K244-E247 WeakPolarHBondContact CD-OE2 3.23Å; K244-E247 WeakPolarHBondContact CE-OE2 3.5Å; K244-E247 IonicContact NZ-OE1 3.89Å; K244-E247 PolarHBondContact NZ-OE1 3.13Å; K244-E247 IonicContact NZ-OE2 3.01Å; K244-E247 PolarHBondContact NZ-OE2 3.08Å; A245-E247 VanDerWaalsContact C-N 3.35Å; A245-E247 PolarHBondContact O-N 3.23Å; E247-K250 PolarHBondContact O-N 3.08Å; E247-F251 VanDerWaalsContact O-CB 3.31Å; E247-F251 WeakPolarHBondContact O-CB 3.44Å; E247-F251 PolarHBondContact O-N 2.8Å
248M97.9Very high95.1Very high1 Ų154.3 Ų54.31%0.00528%0.283CS..Hα-helixtrans-65.4-42.1178.3-72.2176.8-166.800112.7V11 F14 F15 I161 L163 M230 V232 I237 K244 A245 F251 A252V11-M248 HydrophobicContact CG1-CE 4.21Å; V11-M248 HydrophobicContact CG1-SD 3.72Å; V11-M248 HydrophobicContact CG2-CE 4.34Å; F14-M248 HydrophobicContact CD2-SD 4.23Å; F15-M248 HydrophobicContact CZ-CB 4.25Å; I161-M248 HydrophobicContact CD1-CB 3.92Å; I161-M248 HydrophobicContact CD1-CG 3.96Å; I161-M248 HydrophobicContact CD1-SD 4.35Å; L163-M248 HydrophobicContact CD2-CE 4.27Å; M230-M248 HydrophobicContact CE-CG 4.24Å; M230-M248 HydrophobicContact SD-CG 3.98Å; V232-M248 HydrophobicContact CB-CE 3.91Å; V232-M248 HydrophobicContact CG1-CE 3.65Å; V232-M248 HydrophobicContact CG2-CE 3.85Å; I237-M248 HydrophobicContact CD1-CE 3.56Å; I237-M248 HydrophobicContact CG1-CE 3.71Å; K244-M248 VanDerWaalsContact O-CG 3.23Å; K244-M248 WeakPolarHBondContact O-CG 3.14Å; K244-M248 PolarHBondContact O-N 2.97Å; A245-M248 PolarHBondContact O-N 3.03Å; A245-M248 VanDerWaalsContact O-N 3.17Å; M248-F251 PolarHBondContact O-N 2.92Å; M248-A252 WeakPolarHBondContact O-CB 3.43Å; M248-A252 PolarHBondContact O-N 3.26Å
249Y97.6Very high95.3Very high1 Ų159.1 Ų59.10%0.00430%0.301CS..Hα-helixtrans-62.1-47.5176.4-92.1-72.6000111.4F14 F15 H18 A245 E246 F251 A252 G253 I254 F256 A260F14-Y249 HydrophobicContact CB-CE2 4.47Å; F14-Y249 PolarHBondContact O-OH 3.45Å; F15-Y249 HydrophobicContact CD1-CE1 4.16Å; F15-Y249 HydrophobicContact CE1-CD1 4.47Å; F15-Y249 HydrophobicContact CE1-CE1 4.32Å; H18-Y249 WeakPolarHBondContact CB-OH 3.49Å; H18-Y249 AromaticContact CD2-CE1 3.41Å; H18-Y249 VanDerWaalsContact CD2-CE1 3.41Å; H18-Y249 WeakPolarHBondContact CD2-CE1 3.44Å; H18-Y249 AromaticContact CD2-CZ 3.82Å; H18-Y249 PolarHBondContact CD2-OH 2.83Å; A245-Y249 VanDerWaalsContact O-CD2 3.25Å; A245-Y249 WeakPolarHBondContact O-CD2 3.26Å; A245-Y249 PolarHBondContact O-N 3.22Å; E246-Y249 PolarHBondContact O-N 3.08Å; Y249-F251 VanDerWaalsContact C-N 3.35Å; Y249-F251 PolarHBondContact O-N 3.35Å; Y249-A252 PolarHBondContact O-N 3.19Å; Y249-G253 PolarHBondContact O-N 3.13Å; Y249-G253 VanDerWaalsContact O-N 3.13Å; Y249-I254 CarbonylContact C-O 3.48Å; Y249-I254 HydrophobicContact CD1-CB 3.8Å; Y249-I254 HydrophobicContact CD1-CG2 3.63Å; Y249-I254 WeakPolarHBondContact CD1-O 3.31Å; Y249-I254 HydrophobicContact CE1-CB 4.27Å; Y249-I254 HydrophobicContact CE1-CG2 3.65Å; Y249-I254 PolarHBondContact O-N 2.96Å; Y249-F256 HydrophobicContact CD1-CB 4.44Å; Y249-F256 HydrophobicContact CD2-CB 4.12Å; Y249-F256 HydrophobicContact CD2-CD1 4.35Å; Y249-F256 AromaticContact CD2-CD2 3.28Å; Y249-F256 HydrophobicContact CD2-CD2 3.28Å; Y249-F256 AromaticContact CD2-CE2 3.66Å; Y249-F256 HydrophobicContact CD2-CE2 3.66Å; Y249-F256 AromaticContact CD2-CG 3.68Å; Y249-F256 HydrophobicContact CD2-CG 3.68Å; Y249-F256 HydrophobicContact CD2-CZ 4.34Å; Y249-F256 AromaticContact CE2-CD2 3.34Å; Y249-F256 HydrophobicContact CE2-CD2 3.34Å; Y249-F256 AromaticContact CE2-CE2 3.5Å; Y249-F256 HydrophobicContact CE2-CE2 3.5Å; Y249-F256 VanDerWaalsContact CE2-CE2 3.5Å; Y249-F256 HydrophobicContact CE2-CG 4.21Å; Y249-F256 HydrophobicContact CE2-CZ 4.46Å; Y249-F256 HydrophobicContact CG-CB 3.92Å; Y249-F256 AromaticContact CG-CD2 3.94Å; Y249-F256 HydrophobicContact CG-CD2 3.94Å; Y249-F256 HydrophobicContact CG-CG 4.02Å; Y249-A260 HydrophobicContact CE2-CB 4.34Å
250K97.8Very high95.6Very high179 Ų17952.9 Ų52.978%0.77828%0.278SS*.Hα-helixtrans-59.4-45.4175.6-177.3-179.9179-178.70111.6E246 E247 G253E246-K250 WeakPolarHBondContact O-CB 3.24Å; E246-K250 PolarHBondContact O-N 2.94Å; E247-K250 PolarHBondContact O-N 3.08Å; K250-G253 PolarHBondContact O-N 3.27Å
251F97.7Very high95.7Very high53 Ų5351.9 Ų51.923%0.23227%0.274CS..Hα-helixtrans-61.5-42.9177.3165.8-102000112.3A159 I161 M230 E247 M248 Y249 G253A159-F251 HydrophobicContact CB-CE1 3.82Å; A159-F251 HydrophobicContact CB-CZ 4.15Å; I161-F251 HydrophobicContact CD1-CD1 4.32Å; I161-F251 HydrophobicContact CG1-CD1 3.91Å; I161-F251 HydrophobicContact CG1-CE1 3.79Å; M230-F251 HydrophobicContact CB-CD1 3.67Å; M230-F251 HydrophobicContact CB-CD2 4.03Å; M230-F251 HydrophobicContact CB-CE1 3.51Å; M230-F251 HydrophobicContact CB-CE2 3.88Å; M230-F251 HydrophobicContact CB-CG 3.93Å; M230-F251 HydrophobicContact CB-CZ 3.62Å; M230-F251 HydrophobicContact CG-CD1 4.39Å; M230-F251 HydrophobicContact CG-CG 4.4Å; M230-F251 HydrophobicContact SD-CB 3.97Å; M230-F251 HydrophobicContact SD-CD1 3.91Å; M230-F251 HydrophobicContact SD-CG 3.94Å; E247-F251 VanDerWaalsContact O-CB 3.31Å; E247-F251 WeakPolarHBondContact O-CB 3.44Å; E247-F251 PolarHBondContact O-N 2.8Å; M248-F251 PolarHBondContact O-N 2.92Å; Y249-F251 VanDerWaalsContact C-N 3.35Å; Y249-F251 PolarHBondContact O-N 3.35Å; F251-G253 PolarHBondContact O-N 2.88Å
252A96.9Very high95.7Very high27 Ų2756.2 Ų56.222%0.22329%0.292CS..Hα-helixtrans-73.1-7.2178.200000113.7F15 M248 Y249 I254F15-A252 HydrophobicContact CE1-CB 4.5Å; M248-A252 WeakPolarHBondContact O-CB 3.43Å; M248-A252 PolarHBondContact O-N 3.26Å; Y249-A252 PolarHBondContact O-N 3.19Å; A252-I254 VanDerWaalsContact C-N 3.26Å; A252-I254 HydrophobicContact CB-CB 4.5Å; A252-I254 HydrophobicContact CB-CD1 3.89Å; A252-I254 HydrophobicContact CB-CG1 4Å; A252-I254 PolarHBondContact O-N 3.28Å
253G96.4Very high95.7Very high62 Ų6255.4 Ų55.464%0.63929%0.286SS*.THydrogen-bonded Turntrans68.923.8-174.400000113.4Y249 K250 F251Y249-G253 PolarHBondContact O-N 3.13Å; Y249-G253 VanDerWaalsContact O-N 3.13Å; K250-G253 PolarHBondContact O-N 3.27Å; F251-G253 PolarHBondContact O-N 2.88Å
254I96.8Very high95.6Very high18 Ų1850.9 Ų50.99%0.09227%0.265CS..  trans-107129.6-176.8-60.3174000109F15 M22 H133 Y249 A252 F256F15-I254 HydrophobicContact CD1-CD1 4.44Å; F15-I254 HydrophobicContact CE1-CD1 4.34Å; M22-I254 HydrophobicContact CE-CD1 4.07Å; M22-I254 HydrophobicContact CE-CG2 4.46Å; H133-I254 HydrophobicContact CB-CD1 4.07Å; H133-I254 HydrophobicContact CB-CG1 4.48Å; Y249-I254 CarbonylContact C-O 3.48Å; Y249-I254 HydrophobicContact CD1-CB 3.8Å; Y249-I254 HydrophobicContact CD1-CG2 3.63Å; Y249-I254 WeakPolarHBondContact CD1-O 3.31Å; Y249-I254 HydrophobicContact CE1-CB 4.27Å; Y249-I254 HydrophobicContact CE1-CG2 3.65Å; Y249-I254 PolarHBondContact O-N 2.96Å; A252-I254 VanDerWaalsContact C-N 3.26Å; A252-I254 HydrophobicContact CB-CB 4.5Å; A252-I254 HydrophobicContact CB-CD1 3.89Å; A252-I254 HydrophobicContact CB-CG1 4Å; A252-I254 PolarHBondContact O-N 3.28Å; I254-F256 PolarHBondContact O-N 3.49Å
255P95.9Very high95.1Very high87 Ų8752.9 Ų52.957%0.56528%0.277SS*.  trans-60.5131.4176-23.133.5000111.8H18 S257H18-P255 PolarHBondContact CD2-O 2.86Å; H18-P255 PolarHBondContact NE2-O 3.28Å; P255-S257 PolarHBondContact O-N 3.02Å; P255-S257 VanDerWaalsContact O-N 3.15Å
256F95.9Very high94.7Very high27 Ų2761.2 Ų61.212%0.11831%0.309CS..  trans-79.9100.9-179.5-170.7-169.3000111.5M242 A245 E246 Y249 I254 A260 R261 I264M242-F256 HydrophobicContact SD-CE1 3.68Å; M242-F256 HydrophobicContact SD-CZ 3.7Å; A245-F256 HydrophobicContact CB-CE1 4.19Å; A245-F256 HydrophobicContact CB-CE2 4.34Å; A245-F256 HydrophobicContact CB-CZ 3.7Å; E246-F256 HydrophobicContact CB-CD1 3.71Å; E246-F256 HydrophobicContact CB-CE1 3.77Å; E246-F256 HydrophobicContact CG-CD1 3.95Å; E246-F256 HydrophobicContact CG-CE1 4.45Å; Y249-F256 HydrophobicContact CD1-CB 4.44Å; Y249-F256 HydrophobicContact CD2-CB 4.12Å; Y249-F256 HydrophobicContact CD2-CD1 4.35Å; Y249-F256 AromaticContact CD2-CD2 3.28Å; Y249-F256 HydrophobicContact CD2-CD2 3.28Å; Y249-F256 AromaticContact CD2-CE2 3.66Å; Y249-F256 HydrophobicContact CD2-CE2 3.66Å; Y249-F256 AromaticContact CD2-CG 3.68Å; Y249-F256 HydrophobicContact CD2-CG 3.68Å; Y249-F256 HydrophobicContact CD2-CZ 4.34Å; Y249-F256 AromaticContact CE2-CD2 3.34Å; Y249-F256 HydrophobicContact CE2-CD2 3.34Å; Y249-F256 AromaticContact CE2-CE2 3.5Å; Y249-F256 HydrophobicContact CE2-CE2 3.5Å; Y249-F256 VanDerWaalsContact CE2-CE2 3.5Å; Y249-F256 HydrophobicContact CE2-CG 4.21Å; Y249-F256 HydrophobicContact CE2-CZ 4.46Å; Y249-F256 HydrophobicContact CG-CB 3.92Å; Y249-F256 AromaticContact CG-CD2 3.94Å; Y249-F256 HydrophobicContact CG-CD2 3.94Å; Y249-F256 HydrophobicContact CG-CG 4.02Å; I254-F256 PolarHBondContact O-N 3.49Å; F256-A260 HydrophobicContact CD2-CB 4.1Å; F256-A260 HydrophobicContact CE2-CB 3.76Å; F256-R261 HydrophobicContact CD1-CG 4.05Å; F256-R261 VanDerWaalsContact CD1-NH2 3.33Å; F256-R261 HydrophobicContact CD2-CG 3.98Å; F256-R261 HydrophobicContact CE1-CG 3.71Å; F256-R261 HydrophobicContact CE2-CG 3.64Å; F256-R261 HydrophobicContact CG-CG 4.18Å; F256-R261 HydrophobicContact CZ-CB 4.44Å; F256-R261 HydrophobicContact CZ-CG 3.5Å; F256-R261 VanDerWaalsContact CZ-CG 3.5Å; F256-R261 PolarHBondContact O-NE 3.27Å; F256-I264 HydrophobicContact CE2-CD1 3.98Å; F256-I264 HydrophobicContact CZ-CD1 3.74Å
257S95.4Very high94Very high25 Ų2557.4 Ų57.418%0.17529%0.291CS..  trans-69.4152.6-172.977.40000113.9H18 P255 R259 A260 R261H18-S257 WeakPolarHBondContact CA-OG 3.34Å; H18-S257 WeakPolarHBondContact O-CB 3.3Å; H18-S257 PolarHBondContact O-OG 2.82Å; P255-S257 PolarHBondContact O-N 3.02Å; P255-S257 VanDerWaalsContact O-N 3.15Å; S257-R259 VanDerWaalsContact C-N 3.31Å; S257-R259 PolarHBondContact O-N 3.01Å; S257-A260 PolarHBondContact O-N 2.9Å; S257-A260 PolarHBondContact OG-N 3.1Å; S257-R261 WeakPolarHBondContact O-CG 3.25Å; S257-R261 PolarHBondContact O-N 2.04Å; S257-R261 VanDerWaalsContact O-N 3.11Å
258S94.3Very high93Very high82 Ų8255.2 Ų55.257%0.57328%0.282SS*.Hα-helixtrans-59.2-41.1174.751.10000112A260 R261 E262S258-A260 PolarHBondContact O-N 3.09Å; S258-R261 WeakPolarHBondContact O-CB 3.49Å; S258-R261 PolarHBondContact O-N 3.06Å; S258-R261 VanDerWaalsContact O-N 3.15Å; S258-E262 WeakPolarHBondContact O-CB 3.07Å; S258-E262 WeakPolarHBondContact O-CG 3.16Å; S258-E262 PolarHBondContact O-N 2.96Å
259R94.6Very high91.5Very high102 Ų10262.3 Ų62.339%0.38532%0.315SS..Hα-helixtrans-58.5-45.4177.7-173.4-178.4172148.4-7112.3Q17 S257 E262 W263Q17-R259 WeakPolarHBondContact O-CD 3.26Å; Q17-R259 VanDerWaalsContact O-CG 3.27Å; Q17-R259 WeakPolarHBondContact O-CG 3.25Å; S257-R259 VanDerWaalsContact C-N 3.31Å; S257-R259 PolarHBondContact O-N 3.01Å; R259-E262 PolarHBondContact O-N 3.41Å; R259-W263 WeakPolarHBondContact O-CB 3.05Å; R259-W263 PolarHBondContact O-N 3.44Å
260A94.6Very high89.5Confident1 Ų163.8 Ų63.81%0.00832%0.324CS..Hα-helixtrans-64.7-42.5176.100000111.3Q17 Y249 F256 S257 S258 W263 I264Q17-A260 PolarHBondContact O-N 2.91Å; Y249-A260 HydrophobicContact CE2-CB 4.34Å; F256-A260 HydrophobicContact CD2-CB 4.1Å; F256-A260 HydrophobicContact CE2-CB 3.76Å; S257-A260 PolarHBondContact O-N 2.9Å; S257-A260 PolarHBondContact OG-N 3.1Å; S258-A260 PolarHBondContact O-N 3.09Å; A260-W263 PolarHBondContact O-N 2.95Å; A260-I264 WeakPolarHBondContact O-CD1 3.46Å; A260-I264 VanDerWaalsContact O-CG1 3.23Å; A260-I264 WeakPolarHBondContact O-CG1 3.29Å; A260-I264 PolarHBondContact O-N 2.87Å
261R93.6Very high87.1Confident82 Ų8261.9 Ų61.931%0.30933%0.328SS..Hα-helixtrans-58.9-50.1175.7-69177.2-171.6-94.95.6111.8M242 E246 F256 S257 S258 W263 I264 L265M242-R261 HydrophobicContact CE-CB 4.1Å; M242-R261 HydrophobicContact CE-CG 4.47Å; M242-R261 WeakPolarHBondContact CE-O 3.35Å; M242-R261 HydrophobicContact SD-CB 4.29Å; M242-R261 HydrophobicContact SD-CG 4.01Å; E246-R261 IonicContact OE1-CZ 3.38Å; E246-R261 IonicContact OE1-NH1 3.06Å; E246-R261 PolarHBondContact OE1-NH1 3.4Å; E246-R261 IonicContact OE1-NH2 2.76Å; E246-R261 PolarHBondContact OE1-NH2 2.99Å; F256-R261 HydrophobicContact CD1-CG 4.05Å; F256-R261 VanDerWaalsContact CD1-NH2 3.33Å; F256-R261 HydrophobicContact CD2-CG 3.98Å; F256-R261 HydrophobicContact CE1-CG 3.71Å; F256-R261 HydrophobicContact CE2-CG 3.64Å; F256-R261 HydrophobicContact CG-CG 4.18Å; F256-R261 HydrophobicContact CZ-CB 4.44Å; F256-R261 HydrophobicContact CZ-CG 3.5Å; F256-R261 VanDerWaalsContact CZ-CG 3.5Å; F256-R261 PolarHBondContact O-NE 3.27Å; S257-R261 WeakPolarHBondContact O-CG 3.25Å; S257-R261 PolarHBondContact O-N 2.04Å; S257-R261 VanDerWaalsContact O-N 3.11Å; S258-R261 WeakPolarHBondContact O-CB 3.49Å; S258-R261 PolarHBondContact O-N 3.06Å; S258-R261 VanDerWaalsContact O-N 3.15Å; R261-W263 VanDerWaalsContact C-N 3.33Å; R261-W263 PolarHBondContact O-N 3.39Å; R261-I264 PolarHBondContact O-N 3.42Å; R261-L265 WeakPolarHBondContact O-CG 3.43Å; R261-L265 PolarHBondContact O-N 3.08Å
262E92.5Very high84.6Confident108 Ų10867.1 Ų67.151%0.50535%0.353SS..Hα-helixtrans-60.2-42.7178.4-74.4172.2-155.700112S258 R259 L265 R266S258-E262 WeakPolarHBondContact O-CB 3.07Å; S258-E262 WeakPolarHBondContact O-CG 3.16Å; S258-E262 PolarHBondContact O-N 2.96Å; R259-E262 PolarHBondContact O-N 3.41Å; E262-L265 PolarHBondContact O-N 3.04Å; E262-R266 WeakPolarHBondContact O-CB 3.36Å; E262-R266 PolarHBondContact O-N 3.12Å
263W92.5Very high82.4Confident32 Ų3272 Ų7212%0.12137%0.371CS..Hα-helixtrans-62.2-45.3176-175.298.9000111.2F10 E13 F14 Q17 R259 A260 R261 L265 R266 N267 T280F10-W263 AromaticContact CD2-CH2 3.92Å; F10-W263 HydrophobicContact CD2-CH2 3.92Å; F10-W263 HydrophobicContact CD2-CZ3 4.16Å; F10-W263 AromaticContact CE2-CH2 3.82Å; F10-W263 HydrophobicContact CE2-CH2 3.82Å; F10-W263 AromaticContact CE2-CZ3 3.7Å; F10-W263 HydrophobicContact CE2-CZ3 3.7Å; E13-W263 HydrophobicContact CB-CE3 4.39Å; E13-W263 HydrophobicContact CB-CH2 3.2Å; E13-W263 HydrophobicContact CB-CZ2 3.51Å; E13-W263 HydrophobicContact CB-CZ3 3.69Å; E13-W263 HydrophobicContact CG-CH2 3.74Å; E13-W263 HydrophobicContact CG-CZ2 3.71Å; F14-W263 HydrophobicContact CD1-CZ3 4.23Å; F14-W263 HydrophobicContact CE1-CZ3 4.42Å; Q17-W263 HydrophobicContact CB-CB 3.97Å; Q17-W263 HydrophobicContact CB-CD2 4.32Å; Q17-W263 HydrophobicContact CB-CG 3.93Å; Q17-W263 HydrophobicContact CG-CB 4.1Å; Q17-W263 HydrophobicContact CG-CD2 3.62Å; Q17-W263 HydrophobicContact CG-CE3 4.26Å; Q17-W263 HydrophobicContact CG-CG 3.49Å; Q17-W263 VanDerWaalsContact CG-CG 3.49Å; R259-W263 WeakPolarHBondContact O-CB 3.05Å; R259-W263 PolarHBondContact O-N 3.44Å; A260-W263 PolarHBondContact O-N 2.95Å; R261-W263 VanDerWaalsContact C-N 3.33Å; R261-W263 PolarHBondContact O-N 3.39Å; W263-L265 PolarHBondContact O-N 3.36Å; W263-R266 PolarHBondContact O-N 2.88Å; W263-N267 HydrophobicContact CD2-CB 4.34Å; W263-N267 VanDerWaalsContact CE2-ND2 3.28Å; W263-N267 HydrophobicContact CE3-CB 4.34Å; W263-N267 HydrophobicContact CH2-CB 4.11Å; W263-N267 HydrophobicContact CZ2-CB 4.14Å; W263-N267 HydrophobicContact CZ3-CB 4.23Å; W263-N267 PolarHBondContact NE1-ND2 3.04Å; W263-N267 WeakPolarHBondContact O-CB 3.1Å; W263-N267 PolarHBondContact O-N 2.65Å; W263-N267 PolarHBondContact O-ND2 2.8Å; W263-T280 HydrophobicContact CH2-CG2 4.4Å
264I90.6Very high80.3Confident1 Ų170.5 Ų70.51%0.00535%0.353CS..Hα-helixtrans-61.4-47.9179.4-68.8164.4000110.5F14 P241 M242 A245 F256 A260 R261 R266 N267 T268F14-I264 HydrophobicContact CD1-CD1 3.67Å; F14-I264 HydrophobicContact CD1-CG1 3.62Å; F14-I264 HydrophobicContact CE1-CD1 3.91Å; F14-I264 HydrophobicContact CE1-CG1 3.68Å; F14-I264 HydrophobicContact CE1-CG2 4.46Å; F14-I264 HydrophobicContact CG-CD1 4.06Å; F14-I264 HydrophobicContact CG-CG1 4.48Å; F14-I264 HydrophobicContact CZ-CD1 4.49Å; P241-I264 HydrophobicContact CB-CG2 4.01Å; M242-I264 HydrophobicContact CE-CB 4.19Å; M242-I264 HydrophobicContact CE-CG2 4.12Å; A245-I264 HydrophobicContact CB-CD1 3.44Å; A245-I264 VanDerWaalsContact CB-CD1 3.44Å; F256-I264 HydrophobicContact CE2-CD1 3.98Å; F256-I264 HydrophobicContact CZ-CD1 3.74Å; A260-I264 WeakPolarHBondContact O-CD1 3.46Å; A260-I264 VanDerWaalsContact O-CG1 3.23Å; A260-I264 WeakPolarHBondContact O-CG1 3.29Å; A260-I264 PolarHBondContact O-N 2.87Å; R261-I264 PolarHBondContact O-N 3.42Å; I264-R266 VanDerWaalsContact C-N 3.32Å; I264-R266 PolarHBondContact O-N 3.45Å; I264-N267 PolarHBondContact O-N 3.3Å; I264-T268 HydrophobicContact CG2-CG2 4.27Å; I264-T268 WeakPolarHBondContact O-CB 3.23Å; I264-T268 WeakPolarHBondContact O-CG2 3.36Å; I264-T268 PolarHBondContact O-N 3.46Å; I264-T268 VanDerWaalsContact O-N 3.08Å; I264-T268 PolarHBondContact O-OG1 3.48Å
265L86.9Confident78Confident76 Ų7675.6 Ų75.640%0.39839%0.39SS..Hα-helixtrans-55.6-49.7176.4-71.6170.8000110.8M242 R261 E262 W263 N267 Q269M242-L265 HydrophobicContact CE-CD1 4.22Å; M242-L265 HydrophobicContact CE-CD2 3.79Å; M242-L265 HydrophobicContact CE-CG 3.56Å; R261-L265 WeakPolarHBondContact O-CG 3.43Å; R261-L265 PolarHBondContact O-N 3.08Å; E262-L265 PolarHBondContact O-N 3.04Å; W263-L265 PolarHBondContact O-N 3.36Å; L265-N267 VanDerWaalsContact C-N 3.34Å; L265-N267 PolarHBondContact O-N 2.95Å; L265-Q269 WeakPolarHBondContact O-CB 3.32Å; L265-Q269 WeakPolarHBondContact O-CG 3.42Å; L265-Q269 PolarHBondContact O-N 3.29Å
266R86.8Confident75.7Confident176 Ų17673.7 Ų73.766%0.66439%0.386SS*.Hα-helixtrans-63.4-36-178.7-168.6-176.1-54.3-177.64.8113.2E262 W263 I264 T270E262-R266 WeakPolarHBondContact O-CB 3.36Å; E262-R266 PolarHBondContact O-N 3.12Å; W263-R266 PolarHBondContact O-N 2.88Å; I264-R266 VanDerWaalsContact C-N 3.32Å; I264-R266 PolarHBondContact O-N 3.45Å; R266-T270 WeakPolarHBondContact O-CG2 3.49Å
267N82.6Confident73.6Confident4 Ų476.3 Ų76.32%0.02140%0.401CS..Hα-helixtrans-95.9-6.9-171.8-70.4-103.9000113.7W263 I264 L265 Q281 K282W263-N267 HydrophobicContact CD2-CB 4.34Å; W263-N267 VanDerWaalsContact CE2-ND2 3.28Å; W263-N267 HydrophobicContact CE3-CB 4.34Å; W263-N267 HydrophobicContact CH2-CB 4.11Å; W263-N267 HydrophobicContact CZ2-CB 4.14Å; W263-N267 HydrophobicContact CZ3-CB 4.23Å; W263-N267 PolarHBondContact NE1-ND2 3.04Å; W263-N267 WeakPolarHBondContact O-CB 3.1Å; W263-N267 PolarHBondContact O-N 2.65Å; W263-N267 PolarHBondContact O-ND2 2.8Å; I264-N267 PolarHBondContact O-N 3.3Å; L265-N267 VanDerWaalsContact C-N 3.34Å; L265-N267 PolarHBondContact O-N 2.95Å; N267-Q281 HydrophobicContact CB-CG 4.19Å; N267-Q281 WeakPolarHBondContact OD1-CG 3.3Å; N267-Q281 PolarHBondContact OD1-NE2 3.41Å; N267-K282 PolarHBondContact O-N 3.29Å
268T76.1Confident71.5Confident16 Ų1680.1 Ų80.110%0.09841%0.412CS..Hα-helixtrans-111.5-15.9-179.457.10000114.3F10 P241 I264F10-T268 HydrophobicContact CE1-CG2 4.29Å; F10-T268 HydrophobicContact CE2-CG2 4.01Å; F10-T268 HydrophobicContact CZ-CG2 3.34Å; P241-T268 HydrophobicContact CB-CG2 3.77Å; P241-T268 HydrophobicContact CG-CG2 3.75Å; I264-T268 HydrophobicContact CG2-CG2 4.27Å; I264-T268 WeakPolarHBondContact O-CB 3.23Å; I264-T268 WeakPolarHBondContact O-CG2 3.36Å; I264-T268 PolarHBondContact O-N 3.46Å; I264-T268 VanDerWaalsContact O-N 3.08Å; I264-T268 PolarHBondContact O-OG1 3.48Å
269Q66.8Low69.7Low149 Ų14977.8 Ų77.870%0.69640%0.396SS*.SBendtrans-102.86.1179.1-61.3-178.6-800113.2L265L265-Q269 WeakPolarHBondContact O-CB 3.32Å; L265-Q269 WeakPolarHBondContact O-CG 3.42Å; L265-Q269 PolarHBondContact O-N 3.29Å
270T55.7Low67.9Low33 Ų3374.5 Ų74.520%0.20239%0.387CS..  trans-78.2139.8179.884.60000112.1R266 E272R266-T270 WeakPolarHBondContact O-CG2 3.49Å; T270-E272 PolarHBondContact OG1-O 3.49Å
271T46.9Very low66.1Low139 Ų13978.3 Ų78.385%0.85341%0.405SS*.SBendtrans-89.9-17.6165.650.20000112.5
272E45.8Very low64.4Low163 Ų16377 Ų7776%0.76240%0.401SS*.SBendtrans-84.9119.6176.7-65.2-171.8169.600110.5T270T270-E272 PolarHBondContact OG1-O 3.49Å
273E49.7Very low63.1Low128 Ų12875.3 Ų75.360%0.59840%0.396SS*.  trans-83.4115.3-179.6-63.6-167.114900110.9Q287E273-Q287 PolarHBondContact OE1-NE2 3.35Å
274A52.5Low61.9Low32 Ų3274.5 Ų74.526%0.26439%0.394SS..  trans-72.8133.3167.500000110.5S279 Q281A274-S279 WeakPolarHBondContact CB-OG 3.34Å; A274-S279 WeakPolarHBondContact O-CB 3.46Å; A274-S279 PolarHBondContact O-OG 3.33Å; A274-Q281 HydrophobicContact CB-CB 3.96Å
275S47.5Very low60.8Low124 Ų12476.9 Ų76.987%0.86741%0.411SS*.SBendtrans-67.4141.1-177.166.70000112
276G49Very low60.1Low47 Ų4778.6 Ų78.649%0.48542%0.417SS..SBendtrans124.8143.1176.400000115.1Y278 S279G276-Y278 PolarHBondContact O-N 2.88Å; G276-S279 WeakPolarHBondContact O-CB 3.21Å; G276-S279 PolarHBondContact O-N 3.1Å
277I51.6Low59.6Low82 Ų8271.8 Ų71.842%0.42139%0.393SS..THydrogen-bonded Turntrans-67.2-24-174.8-67.2163.8000112.5R5 A177R5-I277 PolarHBondContact NH1-O 3Å; A177-I277 HydrophobicContact CB-CG2 3.78Å
278Y51.9Low59.6Low106 Ų10671.9 Ų71.942%0.41639%0.394SS..THydrogen-bonded Turntrans-10810.8178.8-56.3-69.2000113.7G276G276-Y278 PolarHBondContact O-N 2.88Å
279S55.1Low60.2Low33 Ų3373.8 Ų73.823%0.23140%0.402CS..  trans-58.5138.4178.3171.80000111.5A274 G276 Q281A274-S279 WeakPolarHBondContact CB-OG 3.34Å; A274-S279 WeakPolarHBondContact O-CB 3.46Å; A274-S279 PolarHBondContact O-OG 3.33Å; G276-S279 WeakPolarHBondContact O-CB 3.21Å; G276-S279 PolarHBondContact O-N 3.1Å; S279-Q281 PolarHBondContact OG-N 3.19Å
280T58.4Low61.2Low32 Ų3271.8 Ų71.820%0.19639%0.391CS..  trans-98.2-4.4178.4510000113.6F10 E13 W263F10-T280 HydrophobicContact CB-CG2 4.26Å; F10-T280 HydrophobicContact CD2-CG2 4.1Å; E13-T280 HydrophobicContact CG-CG2 3.97Å; W263-T280 HydrophobicContact CH2-CG2 4.4Å
281Q55.3Low63Low82 Ų8271 Ų7138%0.38338%0.384SS..  trans-101.996.1179.4-72.3173.818.700110.5N267 A274 S279N267-Q281 HydrophobicContact CB-CG 4.19Å; N267-Q281 WeakPolarHBondContact OD1-CG 3.3Å; N267-Q281 PolarHBondContact OD1-NE2 3.41Å; A274-Q281 HydrophobicContact CB-CB 3.96Å; S279-Q281 PolarHBondContact OG-N 3.19Å
282K59.3Low65.3Low54 Ų5464.5 Ų64.524%0.23534%0.344CS..SBendtrans-157.2159.1177.1-57-171.5-176.4-163.80110.3N267 S284 Q287N267-K282 PolarHBondContact O-N 3.29Å; K282-S284 VanDerWaalsContact C-N 3.34Å; K282-S284 PolarHBondContact O-N 3.23Å; K282-Q287 HydrophobicContact CB-CG 3.93Å; K282-Q287 HydrophobicContact CD-CG 3.92Å; K282-Q287 HydrophobicContact CG-CG 4.47Å
283N65.1Low67.5Low73 Ų7361 Ų6139%0.3933%0.334SS..  trans-62.697.6157.9-175.5-27.2000108.9S285 E286 Q287N283-S285 VanDerWaalsContact C-N 3.29Å; N283-S285 PolarHBondContact O-N 2.83Å; N283-S285 PolarHBondContact OD1-N 2.98Å; N283-E286 HydrophobicContact CB-CB 4.42Å; N283-E286 PolarHBondContact O-N 3.26Å; N283-E286 PolarHBondContact OD1-N 3.14Å; N283-Q287 VanDerWaalsContact O-CG 3.28Å; N283-Q287 WeakPolarHBondContact O-CG 3.46Å; N283-Q287 PolarHBondContact O-N 3.11Å
284S66Low69.4Low14 Ų1458.3 Ų58.310%0.09833%0.33CS..Hα-helixtrans-64.3-35.8-169.450.20000112.2A238 K282 A288A238-S284 WeakPolarHBondContact CB-O 3.44Å; A238-S284 WeakPolarHBondContact O-CB 3.47Å; A238-S284 PolarHBondContact O-OG 3.14Å; K282-S284 VanDerWaalsContact C-N 3.34Å; K282-S284 PolarHBondContact O-N 3.23Å; S284-A288 WeakPolarHBondContact O-CB 3.25Å; S284-A288 PolarHBondContact O-N 3.37Å
285S67.4Low71.3Confident51 Ų5157.2 Ų57.236%0.35732%0.319SS..Hα-helixtrans-66.1-48.1-179.7-69.60000112.3A238 R239 N283 Q287 A288A238-S285 PolarHBondContact O-N 3.28Å; A238-S285 PolarHBondContact O-OG 3.48Å; R239-S285 WeakPolarHBondContact CA-OG 3.24Å; N283-S285 VanDerWaalsContact C-N 3.29Å; N283-S285 PolarHBondContact O-N 2.83Å; N283-S285 PolarHBondContact OD1-N 2.98Å; S285-Q287 VanDerWaalsContact C-N 3.34Å; S285-Q287 PolarHBondContact O-N 3.06Å; S285-A288 PolarHBondContact O-N 3.19Å
286E72.6Confident73.5Confident113 Ų11353.2 Ų53.253%0.52829%0.29SS..Hα-helixtrans-64.8-41.2179.3-173.9-179.8176.900111.7N283 A288 E289 K290N283-E286 HydrophobicContact CB-CB 4.42Å; N283-E286 PolarHBondContact O-N 3.26Å; N283-E286 PolarHBondContact OD1-N 3.14Å; E286-A288 VanDerWaalsContact C-N 3.28Å; E286-A288 PolarHBondContact O-N 3.04Å; E286-E289 PolarHBondContact O-N 2.65Å; E286-K290 PolarHBondContact O-N 3.28Å; E286-K290 VanDerWaalsContact O-N 3.08Å
287Q76.3Confident75.7Confident32 Ų3252.5 Ų52.515%0.1527%0.274CS..Hα-helixtrans-68.7-27.7179.6-64.7-67.25.200113E273 K282 N283 S285 E289E273-Q287 PolarHBondContact OE1-NE2 3.35Å; K282-Q287 HydrophobicContact CB-CG 3.93Å; K282-Q287 HydrophobicContact CD-CG 3.92Å; K282-Q287 HydrophobicContact CG-CG 4.47Å; N283-Q287 VanDerWaalsContact O-CG 3.28Å; N283-Q287 WeakPolarHBondContact O-CG 3.46Å; N283-Q287 PolarHBondContact O-N 3.11Å; S285-Q287 VanDerWaalsContact C-N 3.34Å; S285-Q287 PolarHBondContact O-N 3.06Å; Q287-E289 VanDerWaalsContact C-N 3.26Å; Q287-E289 PolarHBondContact O-N 3.46Å
288A82.4Confident77.7Confident6 Ų650.8 Ų50.85%0.0527%0.267CS..Hα-helixtrans-65.3-32175.100000112.2Y234 A238 S284 S285 E286 W291Y234-A288 HydrophobicContact CE1-CB 3.94Å; A238-A288 HydrophobicContact CB-CB 3.71Å; S284-A288 WeakPolarHBondContact O-CB 3.25Å; S284-A288 PolarHBondContact O-N 3.37Å; S285-A288 PolarHBondContact O-N 3.19Å; E286-A288 VanDerWaalsContact C-N 3.28Å; E286-A288 PolarHBondContact O-N 3.04Å; A288-W291 PolarHBondContact O-NE1 3.4Å
289E88Confident79.8Confident56 Ų5645.7 Ų45.726%0.26225%0.247SC..Hα-helixtrans-99-8.2-179.2-66-152.6121.600114.7E286 Q287 W291 R292E286-E289 PolarHBondContact O-N 2.65Å; Q287-E289 VanDerWaalsContact C-N 3.26Å; Q287-E289 PolarHBondContact O-N 3.46Å; E289-W291 PolarHBondContact O-N 2.84Å; E289-R292 VanDerWaalsContact O-CB 3.29Å; E289-R292 WeakPolarHBondContact O-CB 3.45Å; E289-R292 WeakPolarHBondContact O-CG 3.36Å; E289-R292 PolarHBondContact O-N 3.5Å; E289-R292 IonicContact OE1-CZ 3.23Å; E289-R292 IonicContact OE1-NH1 3.66Å; E289-R292 PolarHBondContact OE1-NH1 3.47Å
290K88.6Confident81.8Confident107 Ų10744.1 Ų44.147%0.46524%0.236SC..G310 helixtrans-52.7-31.9-176.8-176.4169.5-178.41670114.2E286 R292 T293 S294E286-K290 PolarHBondContact O-N 3.28Å; E286-K290 VanDerWaalsContact O-N 3.08Å; K290-R292 PolarHBondContact O-N 3.16Å; K290-T293 PolarHBondContact O-N 2.88Å; K290-T293 PolarHBondContact O-OG1 3.25Å; K290-S294 PolarHBondContact O-OG 3.38Å
291W93.6Very high83.6Confident16 Ų1647.4 Ų47.46%0.06125%0.249CC..G310 helixtrans-62.7-26.8179.468.7-88000113.2R168 A169 V172 A288 E289 T293 S294 I295 V300 L325 L332R168-W291 HydrophobicContact CB-CE3 3.86Å; R168-W291 HydrophobicContact CB-CH2 3.74Å; R168-W291 HydrophobicContact CB-CZ2 4.42Å; R168-W291 HydrophobicContact CB-CZ3 3.41Å; R168-W291 VanDerWaalsContact CB-CZ3 3.41Å; R168-W291 HydrophobicContact CG-CH2 4.35Å; R168-W291 HydrophobicContact CG-CZ3 4.23Å; R168-W291 VanDerWaalsContact NE-CH2 3.32Å; A169-W291 HydrophobicContact CB-CB 4.37Å; A169-W291 HydrophobicContact CB-CD2 3.97Å; A169-W291 HydrophobicContact CB-CG 3.64Å; V172-W291 HydrophobicContact CB-CB 4.18Å; V172-W291 HydrophobicContact CG1-CB 4.21Å; V172-W291 HydrophobicContact CG2-CB 4.21Å; A288-W291 PolarHBondContact O-NE1 3.4Å; E289-W291 PolarHBondContact O-N 2.84Å; W291-T293 PolarHBondContact O-N 3.35Å; W291-S294 PolarHBondContact O-N 2.98Å; W291-I295 HydrophobicContact CE3-CG2 3.81Å; W291-I295 HydrophobicContact CZ3-CG2 4.05Å; W291-I295 WeakPolarHBondContact O-CG2 3.41Å; W291-I295 PolarHBondContact O-N 2.95Å; W291-I295 VanDerWaalsContact O-N 3.11Å; W291-V300 HydrophobicContact CZ3-CG2 4.5Å; W291-L325 HydrophobicContact CH2-CD1 4.01Å; W291-L325 HydrophobicContact CZ3-CD1 3.73Å; W291-L332 HydrophobicContact CH2-CD1 4.06Å; W291-L332 HydrophobicContact CZ2-CD1 4.24Å
292R94.8Very high85.5Confident4 Ų444.2 Ų44.22%0.01524%0.235CC..G310 helixtrans-60.9-27.4-176.2-66.5177.366.2170.42.9113.2E289 K290 T324 L325 N327 I330 L332E289-R292 VanDerWaalsContact O-CB 3.29Å; E289-R292 WeakPolarHBondContact O-CB 3.45Å; E289-R292 WeakPolarHBondContact O-CG 3.36Å; E289-R292 PolarHBondContact O-N 3.5Å; E289-R292 IonicContact OE1-CZ 3.23Å; E289-R292 IonicContact OE1-NH1 3.66Å; E289-R292 PolarHBondContact OE1-NH1 3.47Å; K290-R292 PolarHBondContact O-N 3.16Å; R292-T324 PolarHBondContact NH2-O 3.16Å; R292-L325 HydrophobicContact CB-CD1 4.37Å; R292-L325 HydrophobicContact CG-CD1 4.45Å; R292-L325 VanDerWaalsContact CZ-O 3.29Å; R292-L325 PolarHBondContact NE-O 2.92Å; R292-L325 PolarHBondContact NH2-O 3.43Å; R292-L325 WeakPolarHBondContact O-CG 3.45Å; R292-N327 PolarHBondContact NH2-O 3.42Å; R292-I330 PolarHBondContact NH1-O 3.15Å; R292-I330 PolarHBondContact NH2-O 3.22Å; R292-I330 VanDerWaalsContact NH2-O 3.17Å; R292-L332 HydrophobicContact CG-CD1 4.39Å
293T92.3Very high87.3Confident88 Ų8841.7 Ų41.754%0.5422%0.224SC..G310 helixtrans-105.44179.2600000113K290 W291K290-T293 PolarHBondContact O-N 2.88Å; K290-T293 PolarHBondContact O-OG1 3.25Å; W291-T293 PolarHBondContact O-N 3.35Å
294S89.3Confident88.9Confident73 Ų7338.9 Ų38.951%0.5121%0.209SC..THydrogen-bonded Turntrans-117.8-15.6-176.4-56.80000113.6K290 W291K290-S294 PolarHBondContact O-OG 3.38Å; W291-S294 PolarHBondContact O-N 2.98Å
295I92.8Very high90.4Very high9 Ų944.4 Ų44.45%0.04623%0.231CC..SBendtrans-92.1130.9179.5-163.3173000110.2R168 V172 W291 L299 V300 L325R168-I295 HydrophobicContact CB-CD1 4.44Å; V172-I295 HydrophobicContact CG2-CB 3.58Å; V172-I295 HydrophobicContact CG2-CD1 3.6Å; V172-I295 HydrophobicContact CG2-CG1 3.67Å; W291-I295 HydrophobicContact CE3-CG2 3.81Å; W291-I295 HydrophobicContact CZ3-CG2 4.05Å; W291-I295 WeakPolarHBondContact O-CG2 3.41Å; W291-I295 PolarHBondContact O-N 2.95Å; W291-I295 VanDerWaalsContact O-N 3.11Å; I295-L299 HydrophobicContact CD1-CB 4.05Å; I295-L299 HydrophobicContact CG1-CB 3.92Å; I295-V300 HydrophobicContact CB-CG2 4.31Å; I295-V300 HydrophobicContact CD1-CG2 3.76Å; I295-V300 HydrophobicContact CG1-CG2 4.06Å; I295-V300 HydrophobicContact CG2-CG2 3.36Å; I295-L325 HydrophobicContact CG2-CD2 3.98Å
296P94.6Very high91.8Very high39 Ų3943.1 Ų43.125%0.25322%0.221SC..  trans-61.1140167.1-23.534.3000111A189 T298 L299 V300A189-P296 HydrophobicContact CB-CG 3.82Å; A189-P296 WeakPolarHBondContact O-CG 3.46Å; P296-T298 PolarHBondContact O-N 2.94Å; P296-L299 HydrophobicContact CB-CD1 4.45Å; P296-L299 PolarHBondContact O-N 3.03Å; P296-L299 VanDerWaalsContact O-N 3.08Å; P296-V300 PolarHBondContact O-N 2.81Å
297F95.1Very high93Very high33 Ų3337.7 Ų37.715%0.14520%0.196CC..Hα-helixtrans-60.9-30.8-177-171.1-109.3000112.9L299 V300 Q301 V319 D320 D321 E322 L325F297-L299 VanDerWaalsContact C-N 3.32Å; F297-L299 PolarHBondContact O-N 3.25Å; F297-V300 HydrophobicContact CD2-CB 4.3Å; F297-V300 HydrophobicContact CD2-CG1 4.43Å; F297-V300 HydrophobicContact CE2-CG1 4.29Å; F297-V300 WeakPolarHBondContact O-CA 3.38Å; F297-V300 VanDerWaalsContact O-CB 3.31Å; F297-V300 WeakPolarHBondContact O-CB 3.45Å; F297-V300 PolarHBondContact O-N 2.96Å; F297-Q301 HydrophobicContact CD1-CG 4.02Å; F297-Q301 HydrophobicContact CE1-CG 3.64Å; F297-Q301 HydrophobicContact CZ-CG 4.02Å; F297-Q301 WeakPolarHBondContact O-CG 3.31Å; F297-Q301 PolarHBondContact O-N 3.38Å; F297-V319 HydrophobicContact CE2-CG2 4.04Å; F297-D320 WeakPolarHBondContact CZ-O 3.37Å; F297-D321 VanDerWaalsContact CE2-C 3.48Å; F297-E322 HydrophobicContact CB-CB 4.35Å; F297-E322 HydrophobicContact CD2-CB 4.42Å; F297-E322 HydrophobicContact CG-CB 4.37Å; F297-L325 HydrophobicContact CD2-CD2 4.05Å
298T94Very high94.1Very high45 Ų4536.4 Ų36.428%0.27619%0.191SC..Hα-helixtrans-58.8-4117553.10000112.5G192 P296 Q301 V302G192-T298 WeakPolarHBondContact O-CG2 3.49Å; P296-T298 PolarHBondContact O-N 2.94Å; T298-Q301 PolarHBondContact O-N 3.19Å; T298-V302 WeakPolarHBondContact O-CG2 3.23Å; T298-V302 PolarHBondContact O-N 3.32Å
299L95.6Very high94.8Very high0 Ų039.6 Ų39.60%021%0.211CC..Hα-helixtrans-68.7-36.3175.1-87.862.5000111.3L171 M175 W185 A189 V194 I295 P296 F297 Q301 V302 V303L171-L299 HydrophobicContact CD2-CD2 4.38Å; M175-L299 HydrophobicContact CE-CD2 4.2Å; M175-L299 HydrophobicContact SD-CD2 4.17Å; W185-L299 HydrophobicContact CE3-CD2 4.34Å; W185-L299 HydrophobicContact CE3-CG 4.35Å; A189-L299 HydrophobicContact CB-CD1 4.33Å; A189-L299 HydrophobicContact CB-CD2 3.89Å; V194-L299 HydrophobicContact CG2-CD1 3.84Å; V194-L299 HydrophobicContact CG2-CG 4.48Å; I295-L299 HydrophobicContact CD1-CB 4.05Å; I295-L299 HydrophobicContact CG1-CB 3.92Å; P296-L299 HydrophobicContact CB-CD1 4.45Å; P296-L299 PolarHBondContact O-N 3.03Å; P296-L299 VanDerWaalsContact O-N 3.08Å; F297-L299 VanDerWaalsContact C-N 3.32Å; F297-L299 PolarHBondContact O-N 3.25Å; L299-Q301 VanDerWaalsContact C-N 3.33Å; L299-Q301 PolarHBondContact O-N 3.33Å; L299-V302 PolarHBondContact O-N 2.88Å; L299-V303 VanDerWaalsContact O-CG2 3.23Å; L299-V303 WeakPolarHBondContact O-CG2 3.33Å; L299-V303 PolarHBondContact O-N 2.7Å
300V96.7Very high95.3Very high0 Ų037.1 Ų37.10%020%0.2CC..Hα-helixtrans-59.5-45.8174171.80000110.9W291 I295 P296 F297 V302 V303 Q304 V319 L325W291-V300 HydrophobicContact CZ3-CG2 4.5Å; I295-V300 HydrophobicContact CB-CG2 4.31Å; I295-V300 HydrophobicContact CD1-CG2 3.76Å; I295-V300 HydrophobicContact CG1-CG2 4.06Å; I295-V300 HydrophobicContact CG2-CG2 3.36Å; P296-V300 PolarHBondContact O-N 2.81Å; F297-V300 HydrophobicContact CD2-CB 4.3Å; F297-V300 HydrophobicContact CD2-CG1 4.43Å; F297-V300 HydrophobicContact CE2-CG1 4.29Å; F297-V300 WeakPolarHBondContact O-CA 3.38Å; F297-V300 VanDerWaalsContact O-CB 3.31Å; F297-V300 WeakPolarHBondContact O-CB 3.45Å; F297-V300 PolarHBondContact O-N 2.96Å; V300-V302 VanDerWaalsContact C-N 3.35Å; V300-V302 PolarHBondContact O-N 3.43Å; V300-V303 PolarHBondContact O-N 2.96Å; V300-Q304 HydrophobicContact CG1-CG 4.26Å; V300-Q304 WeakPolarHBondContact O-CB 3.48Å; V300-Q304 VanDerWaalsContact O-CG 3.3Å; V300-Q304 WeakPolarHBondContact O-CG 3.38Å; V300-Q304 PolarHBondContact O-N 3.37Å; V300-V319 HydrophobicContact CG1-CG2 3.65Å; V300-L325 HydrophobicContact CG2-CD1 4.31Å; V300-L325 HydrophobicContact CG2-CD2 3.82Å
301Q96Very high95.8Very high101 Ų10132 Ų3247%0.47218%0.178SC..Hα-helixtrans-59.7-44.9178.6-68.8175.6-58.100111.6F297 T298 L299 Q304 K305F297-Q301 HydrophobicContact CD1-CG 4.02Å; F297-Q301 HydrophobicContact CE1-CG 3.64Å; F297-Q301 HydrophobicContact CZ-CG 4.02Å; F297-Q301 WeakPolarHBondContact O-CG 3.31Å; F297-Q301 PolarHBondContact O-N 3.38Å; T298-Q301 PolarHBondContact O-N 3.19Å; L299-Q301 VanDerWaalsContact C-N 3.33Å; L299-Q301 PolarHBondContact O-N 3.33Å; Q301-Q304 PolarHBondContact O-N 3.49Å; Q301-K305 WeakPolarHBondContact O-CB 3.34Å; Q301-K305 PolarHBondContact O-N 3.45Å
302V96.1Very high96Very high15 Ų1537.7 Ų37.79%0.09120%0.203CC..Hα-helixtrans-63-48.6177.8174.10000111.3W185 V194 V201 T298 L299 V300 Q304 K305 V306W185-V302 HydrophobicContact CH2-CG1 4.35Å; V194-V302 HydrophobicContact CB-CG2 3.69Å; V194-V302 HydrophobicContact CG1-CB 4.4Å; V194-V302 HydrophobicContact CG1-CG1 4.01Å; V194-V302 HydrophobicContact CG1-CG2 3.76Å; V194-V302 HydrophobicContact CG2-CG2 4.02Å; V201-V302 HydrophobicContact CG1-CG1 4.12Å; V201-V302 HydrophobicContact CG2-CG1 4.39Å; T298-V302 WeakPolarHBondContact O-CG2 3.23Å; T298-V302 PolarHBondContact O-N 3.32Å; L299-V302 PolarHBondContact O-N 2.88Å; V300-V302 VanDerWaalsContact C-N 3.35Å; V300-V302 PolarHBondContact O-N 3.43Å; V302-Q304 VanDerWaalsContact C-N 3.33Å; V302-Q304 PolarHBondContact O-N 3.37Å; V302-K305 WeakPolarHBondContact O-CB 3.5Å; V302-K305 PolarHBondContact O-N 3.36Å; V302-K305 VanDerWaalsContact O-N 3.16Å; V302-V306 WeakPolarHBondContact O-CG2 3.47Å; V302-V306 PolarHBondContact O-N 3.2Å
303V97.2Very high96.1Very high0 Ų039.2 Ų39.20%021%0.212CC..Hα-helixtrans-60.5-45179.2176.60000110.6P167 R168 L171 L204 L299 V300 K305 V306 C307P167-V303 HydrophobicContact CB-CG1 3.84Å; P167-V303 HydrophobicContact CG-CG1 3.95Å; R168-V303 HydrophobicContact CB-CG1 4.36Å; R168-V303 HydrophobicContact CG-CB 3.93Å; R168-V303 HydrophobicContact CG-CG1 3.57Å; L171-V303 HydrophobicContact CD2-CG2 3.56Å; L204-V303 HydrophobicContact CD2-CG2 3.9Å; L299-V303 VanDerWaalsContact O-CG2 3.23Å; L299-V303 WeakPolarHBondContact O-CG2 3.33Å; L299-V303 PolarHBondContact O-N 2.7Å; V300-V303 PolarHBondContact O-N 2.96Å; V303-K305 VanDerWaalsContact C-N 3.29Å; V303-K305 PolarHBondContact O-N 3.19Å; V303-V306 PolarHBondContact O-N 2.92Å; V303-C307 HydrophobicContact CG1-CB 4.33Å; V303-C307 WeakPolarHBondContact O-CA 3.49Å; V303-C307 VanDerWaalsContact O-CB 3.29Å; V303-C307 WeakPolarHBondContact O-CB 3.46Å; V303-C307 PolarHBondContact O-N 3.29Å
304Q97.9Very high96.3Very high15 Ų1535.3 Ų35.37%0.0719%0.187CC..Hα-helixtrans-59.6-40.1176.2-78.8-179.2175.600112.2V300 Q301 V302 G308 M311 F318 V319V300-Q304 HydrophobicContact CG1-CG 4.26Å; V300-Q304 WeakPolarHBondContact O-CB 3.48Å; V300-Q304 VanDerWaalsContact O-CG 3.3Å; V300-Q304 WeakPolarHBondContact O-CG 3.38Å; V300-Q304 PolarHBondContact O-N 3.37Å; Q301-Q304 PolarHBondContact O-N 3.49Å; V302-Q304 VanDerWaalsContact C-N 3.33Å; V302-Q304 PolarHBondContact O-N 3.37Å; Q304-G308 WeakPolarHBondContact O-CA 3.43Å; Q304-G308 PolarHBondContact O-N 3.16Å; Q304-G308 VanDerWaalsContact O-N 3.13Å; Q304-M311 HydrophobicContact CG-CE 3.93Å; Q304-M311 HydrophobicContact CG-SD 4.04Å; Q304-F318 HydrophobicContact CB-CD1 3.69Å; Q304-F318 HydrophobicContact CB-CE1 3.72Å; Q304-F318 HydrophobicContact CG-CD1 3.8Å; Q304-F318 HydrophobicContact CG-CE1 4.17Å; Q304-F318 HydrophobicContact CG-CG 4.44Å; Q304-F318 VanDerWaalsContact O-CE1 3.31Å; Q304-F318 WeakPolarHBondContact O-CE1 3.43Å; Q304-V319 PolarHBondContact NE2-O 3.06Å; Q304-V319 VanDerWaalsContact OE1-CG2 3.27Å
305K96.9Very high96.7Very high129 Ų12931.9 Ų31.956%0.56116%0.163SC*.Hα-helixtrans-64.5-50.8177.6-171.5179.5-170.5178.40111.5E196 Q301 V302 V303E196-K305 IonicContact OE1-NZ 3.65Å; E196-K305 PolarHBondContact OE1-NZ 3.32Å; E196-K305 IonicContact OE2-NZ 3.85Å; E196-K305 PolarHBondContact OE2-NZ 3.23Å; Q301-K305 WeakPolarHBondContact O-CB 3.34Å; Q301-K305 PolarHBondContact O-N 3.45Å; V302-K305 WeakPolarHBondContact O-CB 3.5Å; V302-K305 PolarHBondContact O-N 3.36Å; V302-K305 VanDerWaalsContact O-N 3.16Å; V303-K305 VanDerWaalsContact C-N 3.29Å; V303-K305 PolarHBondContact O-N 3.19Å
306V97.2Very high97Very high24 Ų2431.5 Ų31.515%0.14516%0.161CC..Hα-helixtrans-86.9-32.9-170.4-54.20000113.9V201 L204 K205 V302 V303V201-V306 HydrophobicContact CG1-CG1 3.79Å; L204-V306 HydrophobicContact CD2-CG2 3.86Å; L204-V306 HydrophobicContact CG-CG2 4.13Å; K205-V306 HydrophobicContact CB-CB 4.14Å; K205-V306 HydrophobicContact CB-CG2 4.48Å; K205-V306 HydrophobicContact CG-CB 4.39Å; V302-V306 WeakPolarHBondContact O-CG2 3.47Å; V302-V306 PolarHBondContact O-N 3.2Å; V303-V306 PolarHBondContact O-N 2.92Å
307C98.2Very high97.1Very high0 Ų035.2 Ų35.20%017%0.17CC..SBendtrans-100.79.6178.9-63.10000112.7P167 C208 V303 A310 M311P167-C307 HydrophobicContact CB-CB 4.05Å; P167-C307 HydrophobicContact CG-CB 3.84Å; C208-C307 HydrophobicContact CB-CB 3.69Å; C208-C307 WeakPolarHBondContact CB-SG 3.3Å; C208-C307 WeakPolarHBondContact SG-CB 2.92Å; C208-C307 CovalentContact SG-SG 2.04Å; C208-C307 PolarHBondContact SG-SG 2.99Å; V303-C307 HydrophobicContact CG1-CB 4.33Å; V303-C307 WeakPolarHBondContact O-CA 3.49Å; V303-C307 VanDerWaalsContact O-CB 3.29Å; V303-C307 WeakPolarHBondContact O-CB 3.46Å; V303-C307 PolarHBondContact O-N 3.29Å; C307-A310 WeakPolarHBondContact O-CB 3.45Å; C307-A310 PolarHBondContact O-N 3.33Å; C307-A310 VanDerWaalsContact O-N 3.1Å; C307-M311 WeakPolarHBondContact O-CG 3.49Å; C307-M311 PolarHBondContact O-N 3.27Å
308G98.3Very high97.3Very high5 Ų537.4 Ų37.45%0.05218%0.179CC..Hα-helixtrans-53.1-44.6-174.400000115.3Q304 M311 K312Q304-G308 WeakPolarHBondContact O-CA 3.43Å; Q304-G308 PolarHBondContact O-N 3.16Å; Q304-G308 VanDerWaalsContact O-N 3.13Å; G308-M311 WeakPolarHBondContact O-CB 3.33Å; G308-M311 PolarHBondContact O-N 2.82Å; G308-K312 WeakPolarHBondContact O-CG 3.5Å; G308-K312 PolarHBondContact O-N 3.16Å
309P98.3Very high97.4Very high73 Ų7335.3 Ų35.347%0.47417%0.167SC..Hα-helixtrans-58.1-47.9174.3-27.537.2000113M212 M311 K312 L313M212-P309 HydrophobicContact CE-CB 4.38Å; M212-P309 HydrophobicContact SD-CB 3.62Å; P309-M311 VanDerWaalsContact C-N 3.32Å; P309-M311 PolarHBondContact O-N 3.29Å; P309-K312 PolarHBondContact O-N 3.33Å; P309-L313 PolarHBondContact O-N 2.97Å
310A97.9Very high97.4Very high4 Ų442 Ų423%0.03320%0.203CC..Hα-helixtrans-62.5-40.5176.800000111.4C208 M212 C307 K312 L313 F314C208-A310 HydrophobicContact CB-CB 4.17Å; M212-A310 HydrophobicContact CB-CB 4.04Å; M212-A310 HydrophobicContact CG-CB 4.37Å; M212-A310 HydrophobicContact SD-CB 4.25Å; C307-A310 WeakPolarHBondContact O-CB 3.45Å; C307-A310 PolarHBondContact O-N 3.33Å; C307-A310 VanDerWaalsContact O-N 3.1Å; A310-K312 PolarHBondContact O-N 2.64Å; A310-L313 PolarHBondContact O-N 3.13Å; A310-F314 HydrophobicContact CB-CD2 4.43Å; A310-F314 HydrophobicContact CB-CE2 4.07Å; A310-F314 WeakPolarHBondContact O-CD2 3.48Å; A310-F314 WeakPolarHBondContact O-CG 3.34Å; A310-F314 PolarHBondContact O-N 3.33Å
311M98.4Very high97.4Very high0 Ų045 Ų450%022%0.219CC..Hα-helixtrans-59-46.9175.8-73.2-179.364.800112P167 Q304 C307 G308 P309 F314 G315 Y316 F318P167-M311 HydrophobicContact CG-CG 3.45Å; P167-M311 VanDerWaalsContact CG-CG 3.45Å; P167-M311 HydrophobicContact CG-SD 3.93Å; Q304-M311 HydrophobicContact CG-CE 3.93Å; Q304-M311 HydrophobicContact CG-SD 4.04Å; C307-M311 WeakPolarHBondContact O-CG 3.49Å; C307-M311 PolarHBondContact O-N 3.27Å; G308-M311 WeakPolarHBondContact O-CB 3.33Å; G308-M311 PolarHBondContact O-N 2.82Å; P309-M311 VanDerWaalsContact C-N 3.32Å; P309-M311 PolarHBondContact O-N 3.29Å; M311-F314 CarbonylContact O-C 3.57Å; M311-F314 PolarHBondContact O-N 2.79Å; M311-G315 PolarHBondContact O-N 3.46Å; M311-Y316 PolarHBondContact O-N 3.04Å; M311-F318 HydrophobicContact CB-CE2 4.29Å
312K97.8Very high97.3Very high135 Ų13546.2 Ų46.259%0.58722%0.224SC*.Hα-helixtrans-63.1-43.4176-68.8175.2-177.9-179.20111.8G308 P309 A310 F314 G315 F318 K336G308-K312 WeakPolarHBondContact O-CG 3.5Å; G308-K312 PolarHBondContact O-N 3.16Å; P309-K312 PolarHBondContact O-N 3.33Å; A310-K312 PolarHBondContact O-N 2.64Å; K312-F314 VanDerWaalsContact C-N 3.26Å; K312-F314 PolarHBondContact O-N 3.1Å; K312-G315 PolarHBondContact O-N 2.64Å; K312-G315 VanDerWaalsContact O-N 3.16Å; K312-F318 HydrophobicContact CG-CE2 3.95Å; K312-K336 PolarHBondContact O-NZ 3.17Å
313L97.4Very high97.3Very high36 Ų3653.5 Ų53.519%0.18826%0.255CS..Hα-helixtrans-57.5-42.6177.1-178.562.8000111.1M212 A215 E216 L219 P309 A310 K336M212-L313 HydrophobicContact CB-CD2 4.43Å; M212-L313 HydrophobicContact CG-CD2 3.58Å; A215-L313 HydrophobicContact CB-CD2 4.04Å; E216-L313 HydrophobicContact CG-CD2 3.83Å; L219-L313 HydrophobicContact CD1-CD1 4.16Å; P309-L313 PolarHBondContact O-N 2.97Å; A310-L313 PolarHBondContact O-N 3.13Å; L313-K336 VanDerWaalsContact O-CE 3.24Å; L313-K336 WeakPolarHBondContact O-CE 3.49Å; L313-K336 PolarHBondContact O-NZ 2.94Å
314F97.5Very high97.2Very high6 Ų655.4 Ų55.43%0.02627%0.266CS..THydrogen-bonded Turntrans-89.43.7-179-53.4-40.7000114.2V164 V211 A215 L231 R233 A310 M311 K312 Y316V164-F314 HydrophobicContact CB-CD1 4.38Å; V164-F314 HydrophobicContact CB-CD2 4.24Å; V164-F314 HydrophobicContact CB-CE1 4.45Å; V164-F314 HydrophobicContact CB-CE2 4.3Å; V164-F314 HydrophobicContact CB-CG 4.3Å; V164-F314 HydrophobicContact CB-CZ 4.42Å; V164-F314 HydrophobicContact CG1-CD1 4.27Å; V164-F314 HydrophobicContact CG1-CD2 4.42Å; V164-F314 HydrophobicContact CG1-CE1 3.86Å; V164-F314 HydrophobicContact CG1-CE2 4.03Å; V164-F314 HydrophobicContact CG1-CZ 3.74Å; V164-F314 HydrophobicContact CG2-CB 4.44Å; V164-F314 HydrophobicContact CG2-CD1 3.98Å; V164-F314 HydrophobicContact CG2-CD2 4.46Å; V164-F314 HydrophobicContact CG2-CE1 4.41Å; V164-F314 HydrophobicContact CG2-CG 4.03Å; V211-F314 HydrophobicContact CG1-CE2 3.97Å; V211-F314 HydrophobicContact CG1-CZ 3.89Å; A215-F314 HydrophobicContact CB-CE1 3.54Å; A215-F314 HydrophobicContact CB-CZ 3.87Å; L231-F314 HydrophobicContact CD1-CE1 4.42Å; L231-F314 HydrophobicContact CD2-CD1 4.02Å; L231-F314 HydrophobicContact CD2-CE1 3.96Å; R233-F314 WeakPolarHBondContact CD-O 3.35Å; R233-F314 PolarHBondContact NH1-O 3.45Å; R233-F314 VanDerWaalsContact NH1-O 3.13Å; A310-F314 HydrophobicContact CB-CD2 4.43Å; A310-F314 HydrophobicContact CB-CE2 4.07Å; A310-F314 WeakPolarHBondContact O-CD2 3.48Å; A310-F314 WeakPolarHBondContact O-CG 3.34Å; A310-F314 PolarHBondContact O-N 3.33Å; M311-F314 CarbonylContact O-C 3.57Å; M311-F314 PolarHBondContact O-N 2.79Å; K312-F314 VanDerWaalsContact C-N 3.26Å; K312-F314 PolarHBondContact O-N 3.1Å; F314-Y316 HydrophobicContact CB-CD2 3.63Å; F314-Y316 HydrophobicContact CB-CE2 3.33Å; F314-Y316 HydrophobicContact CD2-CE2 4.18Å; F314-Y316 HydrophobicContact CG-CE2 4.18Å
315G97.3Very high97Very high0 Ų054.8 Ų54.80%026%0.263CS..THydrogen-bonded Turntrans6938.3176.500000113.6R233 M311 K312 E334R233-G315 PolarHBondContact NH1-O 2.82Å; M311-G315 PolarHBondContact O-N 3.46Å; K312-G315 PolarHBondContact O-N 2.64Å; K312-G315 VanDerWaalsContact O-N 3.16Å; G315-E334 WeakPolarHBondContact CA-OE2 3.21Å; G315-E334 PolarHBondContact O-N 3.38Å
316Y97.9Very high96.9Very high1 Ų151.1 Ų51.10%0.00425%0.254CS..BIsolated β-bridgetrans-94.8122.5171.2-62.2-62.3000110R165 D166 E235 M311 F314 L333R165-Y316 WeakPolarHBondContact CA-OH 3.28Å; D166-Y316 HydrophobicContact CB-CD1 3.84Å; D166-Y316 HydrophobicContact CB-CE1 3.73Å; D166-Y316 HydrophobicContact CB-CE2 4.4Å; D166-Y316 HydrophobicContact CB-CG 4.26Å; D166-Y316 PolarHBondContact N-OH 3.1Å; D166-Y316 VanDerWaalsContact N-OH 3.12Å; E235-Y316 HydrophobicContact CG-CE1 4.49Å; E235-Y316 WeakPolarHBondContact OE2-CE1 3.22Å; E235-Y316 PolarHBondContact OE2-OH 2.85Å; M311-Y316 PolarHBondContact O-N 3.04Å; F314-Y316 HydrophobicContact CB-CD2 3.63Å; F314-Y316 HydrophobicContact CB-CE2 3.33Å; F314-Y316 HydrophobicContact CD2-CE2 4.18Å; F314-Y316 HydrophobicContact CG-CE2 4.18Å; Y316-L333 HydrophobicContact CD1-CD2 3.58Å; Y316-L333 HydrophobicContact CE1-CD2 3.57Å
317R97.8Very high96.7Very high117 Ų11753 Ų5344%0.44226%0.264SS..PPolyproline II helixtrans-76.1143179.6-62.2-179.4178.1177.7-4.5111.5R168 S331 L332 E334R168-R317 PolarHBondContact NH1-O 3.27Å; R168-R317 PolarHBondContact NH2-O 3.28Å; R317-S331 PolarHBondContact NH1-O 2.92Å; R317-L332 PolarHBondContact N-O 3.28Å; R317-E334 HydrophobicContact CG-CG 3.94Å
318F98.1Very high96.2Very high79 Ų7957 Ų5735%0.34628%0.281SS..PPolyproline II helixtrans-75.8151.7171.6-70.7-115.6000109.3Q304 M311 K312Q304-F318 HydrophobicContact CB-CD1 3.69Å; Q304-F318 HydrophobicContact CB-CE1 3.72Å; Q304-F318 HydrophobicContact CG-CD1 3.8Å; Q304-F318 HydrophobicContact CG-CE1 4.17Å; Q304-F318 HydrophobicContact CG-CG 4.44Å; Q304-F318 VanDerWaalsContact O-CE1 3.31Å; Q304-F318 WeakPolarHBondContact O-CE1 3.43Å; M311-F318 HydrophobicContact CB-CE2 4.29Å; K312-F318 HydrophobicContact CG-CE2 3.95Å
319V97Very high95.8Very high2 Ų262.4 Ų62.41%0.01232%0.318CS..  trans-123.2138.7171.1-66.60000108.9F297 V300 Q304 T324 L325 L332F297-V319 HydrophobicContact CE2-CG2 4.04Å; V300-V319 HydrophobicContact CG1-CG2 3.65Å; Q304-V319 PolarHBondContact NE2-O 3.06Å; Q304-V319 VanDerWaalsContact OE1-CG2 3.27Å; V319-T324 HydrophobicContact CB-CG2 4.49Å; V319-T324 HydrophobicContact CG1-CG2 4.07Å; V319-L325 HydrophobicContact CG2-CB 4.14Å; V319-L325 HydrophobicContact CG2-CD1 4.09Å; V319-L332 HydrophobicContact CG1-CD1 3.98Å; V319-L332 HydrophobicContact CG1-CD2 3.35Å; V319-L332 HydrophobicContact CG1-CG 4.31Å
320D95.9Very high95.5Very high141 Ų14162.1 Ų62.175%0.75431%0.311SS*.SBendtrans-103.4-11.7-174.6-58.2-48.6000112.6F297F297-D320 WeakPolarHBondContact CZ-O 3.37Å
321D96.3Very high95.2Very high63 Ų6364 Ų6434%0.33732%0.324SS..SBendtrans-149.9160.4179.67389.7000113.4F297 K323 T324 L325F297-D321 VanDerWaalsContact CE2-C 3.48Å; D321-K323 PolarHBondContact O-N 3.12Å; D321-K323 WeakPolarHBondContact OD1-CA 3.42Å; D321-K323 VanDerWaalsContact OD1-CB 3.23Å; D321-K323 WeakPolarHBondContact OD1-CB 3.47Å; D321-K323 PolarHBondContact OD1-N 3.49Å; D321-T324 PolarHBondContact O-N 2.66Å; D321-T324 PolarHBondContact OD1-N 3.08Å; D321-T324 PolarHBondContact OD1-OG1 3.4Å; D321-T324 VanDerWaalsContact OD2-CB 3.3Å; D321-T324 WeakPolarHBondContact OD2-CB 3.47Å; D321-T324 PolarHBondContact OD2-OG1 3.11Å; D321-L325 PolarHBondContact O-N 3.32Å
322E94.8Very high95.1Very high126 Ų12664.3 Ų64.359%0.58933%0.326SS*.Hα-helixtrans-68.9-30.3-177-173.7171.8-158.500113.5F297 L325 S326F297-E322 HydrophobicContact CB-CB 4.35Å; F297-E322 HydrophobicContact CD2-CB 4.42Å; F297-E322 HydrophobicContact CG-CB 4.37Å; E322-L325 PolarHBondContact O-N 3.06Å; E322-S326 WeakPolarHBondContact O-CB 3.42Å; E322-S326 PolarHBondContact O-N 3.11Å; E322-S326 PolarHBondContact O-OG 3.36Å
323K94.9Very high95Very high167 Ų16759.4 Ų59.473%0.72631%0.306SS*.Hα-helixtrans-69-42.4178.1-176.6-175.9178.7-177.50110.2D321 S326 N327D321-K323 PolarHBondContact O-N 3.12Å; D321-K323 WeakPolarHBondContact OD1-CA 3.42Å; D321-K323 VanDerWaalsContact OD1-CB 3.23Å; D321-K323 WeakPolarHBondContact OD1-CB 3.47Å; D321-K323 PolarHBondContact OD1-N 3.49Å; K323-S326 PolarHBondContact O-OG 3.44Å; K323-N327 VanDerWaalsContact O-CB 3.26Å; K323-N327 WeakPolarHBondContact O-CB 3.49Å; K323-N327 PolarHBondContact O-N 3.45Å; K323-N327 VanDerWaalsContact O-N 3.13Å
324T95Very high94.9Very high40 Ų4061.2 Ų61.225%0.24531%0.314CS..Hα-helixtrans-66-42.4173.5-60.80000111.3R292 V319 D321 S326 N327 I330R292-T324 PolarHBondContact NH2-O 3.16Å; V319-T324 HydrophobicContact CB-CG2 4.49Å; V319-T324 HydrophobicContact CG1-CG2 4.07Å; D321-T324 PolarHBondContact O-N 2.66Å; D321-T324 PolarHBondContact OD1-N 3.08Å; D321-T324 PolarHBondContact OD1-OG1 3.4Å; D321-T324 VanDerWaalsContact OD2-CB 3.3Å; D321-T324 WeakPolarHBondContact OD2-CB 3.47Å; D321-T324 PolarHBondContact OD2-OG1 3.11Å; T324-S326 PolarHBondContact O-N 3.02Å; T324-N327 PolarHBondContact O-N 3.22Å; T324-I330 HydrophobicContact CG2-CD1 4.05Å; T324-I330 HydrophobicContact CG2-CG2 4.46Å
325L95.2Very high94.4Very high2 Ų268.5 Ų68.51%0.0135%0.353CS..Hα-helixtrans-55.9-51.5176.1174.165.3000111.7W291 R292 I295 F297 V300 V319 D321 E322 L332W291-L325 HydrophobicContact CH2-CD1 4.01Å; W291-L325 HydrophobicContact CZ3-CD1 3.73Å; R292-L325 HydrophobicContact CB-CD1 4.37Å; R292-L325 HydrophobicContact CG-CD1 4.45Å; R292-L325 VanDerWaalsContact CZ-O 3.29Å; R292-L325 PolarHBondContact NE-O 2.92Å; R292-L325 PolarHBondContact NH2-O 3.43Å; R292-L325 WeakPolarHBondContact O-CG 3.45Å; I295-L325 HydrophobicContact CG2-CD2 3.98Å; F297-L325 HydrophobicContact CD2-CD2 4.05Å; V300-L325 HydrophobicContact CG2-CD1 4.31Å; V300-L325 HydrophobicContact CG2-CD2 3.82Å; V319-L325 HydrophobicContact CG2-CB 4.14Å; V319-L325 HydrophobicContact CG2-CD1 4.09Å; D321-L325 PolarHBondContact O-N 3.32Å; E322-L325 PolarHBondContact O-N 3.06Å; L325-L332 HydrophobicContact CD1-CD1 4.42Å
326S93.6Very high94Very high53 Ų5371.6 Ų71.637%0.37137%0.366SS..Hα-helixtrans-76.4-19.8-174.855.10000114.1E322 K323 T324 K328E322-S326 WeakPolarHBondContact O-CB 3.42Å; E322-S326 PolarHBondContact O-N 3.11Å; E322-S326 PolarHBondContact O-OG 3.36Å; K323-S326 PolarHBondContact O-OG 3.44Å; T324-S326 PolarHBondContact O-N 3.02Å; S326-K328 PolarHBondContact O-N 3.33Å; S326-K328 VanDerWaalsContact O-N 3.08Å
327N93Very high93.2Very high63 Ų6379.3 Ų79.334%0.33740%0.402SS..  trans-7695-179.7-174.6-6.8000112.9R292 K323 T324 S329 I330R292-N327 PolarHBondContact NH2-O 3.42Å; K323-N327 VanDerWaalsContact O-CB 3.26Å; K323-N327 WeakPolarHBondContact O-CB 3.49Å; K323-N327 PolarHBondContact O-N 3.45Å; K323-N327 VanDerWaalsContact O-N 3.13Å; T324-N327 PolarHBondContact O-N 3.22Å; N327-S329 PolarHBondContact O-N 3.2Å; N327-S329 VanDerWaalsContact O-N 3.15Å; N327-S329 VanDerWaalsContact OD1-CB 3.31Å; N327-S329 WeakPolarHBondContact OD1-CB 3.4Å; N327-S329 PolarHBondContact OD1-N 2.7Å; N327-I330 HydrophobicContact CB-CD1 4.17Å; N327-I330 HydrophobicContact CB-CG1 4.4Å; N327-I330 PolarHBondContact O-N 3.43Å
328K88.3Confident92.7Very high85 Ų8575.4 Ų75.437%0.3739%0.389SS..THydrogen-bonded Turntrans-62.4-16.8179.1-64-174-177.3178.50115S326 I330S326-K328 PolarHBondContact O-N 3.33Å; S326-K328 VanDerWaalsContact O-N 3.08Å; K328-I330 PolarHBondContact O-N 3.23Å
329S89.9Confident91Very high118 Ų11877.5 Ų77.583%0.82541%0.413SS*.THydrogen-bonded Turntrans-70.8-18.7172.9-55.60000112.6N327N327-S329 PolarHBondContact O-N 3.2Å; N327-S329 VanDerWaalsContact O-N 3.15Å; N327-S329 VanDerWaalsContact OD1-CB 3.31Å; N327-S329 WeakPolarHBondContact OD1-CB 3.4Å; N327-S329 PolarHBondContact OD1-N 2.7Å
330I91.8Very high90.7Very high66 Ų6681.3 Ų81.334%0.33843%0.433SS..SBendtrans-92.5117.9173.7-58.2173.9000108.4R292 T324 N327 K328R292-I330 PolarHBondContact NH1-O 3.15Å; R292-I330 PolarHBondContact NH2-O 3.22Å; R292-I330 VanDerWaalsContact NH2-O 3.17Å; T324-I330 HydrophobicContact CG2-CD1 4.05Å; T324-I330 HydrophobicContact CG2-CG2 4.46Å; N327-I330 HydrophobicContact CB-CD1 4.17Å; N327-I330 HydrophobicContact CB-CG1 4.4Å; N327-I330 PolarHBondContact O-N 3.43Å; K328-I330 PolarHBondContact O-N 3.23Å
331S92.4Very high90.4Very high43 Ų4378.1 Ų78.130%0.30142%0.416SS..  trans-74.1130.2175-169.70000111.1R317 L333R317-S331 PolarHBondContact NH1-O 2.92Å; S331-L333 VanDerWaalsContact C-N 3.3Å; S331-L333 PolarHBondContact OG-N 2.87Å
332L95.4Very high90.1Very high8 Ų878.9 Ų78.94%0.04242%0.42CS..  trans-92.611.5171.8-55.3-172000112.9W291 R292 R317 V319 L325W291-L332 HydrophobicContact CH2-CD1 4.06Å; W291-L332 HydrophobicContact CZ2-CD1 4.24Å; R292-L332 HydrophobicContact CG-CD1 4.39Å; R317-L332 PolarHBondContact N-O 3.28Å; V319-L332 HydrophobicContact CG1-CD1 3.98Å; V319-L332 HydrophobicContact CG1-CD2 3.35Å; V319-L332 HydrophobicContact CG1-CG 4.31Å; L325-L332 HydrophobicContact CD1-CD1 4.42Å
333L94.9Very high89.8Confident32 Ų3276.2 Ų76.217%0.16841%0.411CS..BIsolated β-bridgetrans-111.2136.1179.4-55.5176.6000109.5E235 Y316 S331E235-L333 HydrophobicContact CB-CD1 3.63Å; E235-L333 HydrophobicContact CB-CD2 4.15Å; E235-L333 HydrophobicContact CG-CD1 4.34Å; E235-L333 HydrophobicContact CG-CD2 4.14Å; Y316-L333 HydrophobicContact CD1-CD2 3.58Å; Y316-L333 HydrophobicContact CE1-CD2 3.57Å; S331-L333 VanDerWaalsContact C-N 3.3Å; S331-L333 PolarHBondContact OG-N 2.87Å
334E95Very high89.5Confident74 Ų7470.5 Ų70.535%0.34639%0.391SS..  trans-80.4145.4162.9-64.5173-173.100109.7R233 G315 R317 K336R233-E334 PolarHBondContact NH1-O 3.38Å; R233-E334 PolarHBondContact NH2-O 2.98Å; G315-E334 WeakPolarHBondContact CA-OE2 3.21Å; G315-E334 PolarHBondContact O-N 3.38Å; R317-E334 HydrophobicContact CG-CG 3.94Å; E334-K336 PolarHBondContact O-N 2.89Å; E334-K336 VanDerWaalsContact O-N 3.07Å
335D88.9Confident89.2Confident158 Ų15872.5 Ų72.585%0.84540%0.4SS*.  trans-72.497.8165.9-169.96.8000107.8
336K87.2Confident88.7Confident66 Ų6677.6 Ų77.629%0.28743%0.428SS..  trans-132.1123.8-171.7-167.3165.8-167.3166.70108.8K312 L313 E334 F338K312-K336 PolarHBondContact O-NZ 3.17Å; L313-K336 VanDerWaalsContact O-CE 3.24Å; L313-K336 WeakPolarHBondContact O-CE 3.49Å; L313-K336 PolarHBondContact O-NZ 2.94Å; E334-K336 PolarHBondContact O-N 2.89Å; E334-K336 VanDerWaalsContact O-N 3.07Å; K336-F338 HydrophobicContact CB-CZ 4.32Å; K336-F338 HydrophobicContact CD-CE1 3.81Å; K336-F338 HydrophobicContact CD-CZ 4.07Å; K336-F338 HydrophobicContact CG-CD1 4.49Å; K336-F338 HydrophobicContact CG-CE1 3.95Å; K336-F338 HydrophobicContact CG-CZ 4.08Å
337Q82.7Confident88.3Confident162 Ų16279.5 Ų79.576%0.75743%0.433SS*.  trans-99132171.1-63.5-168.3-000109.5S339Q337-S339 PolarHBondContact O-N 3.33Å
338F86.4Confident88Confident36 Ų3680.8 Ų80.816%0.15844%0.441CS..  trans-100.168.5176.3-53.6-75.1000108.3L219 L231 R233 K336L219-F338 HydrophobicContact CD2-CB 4.24Å; L231-F338 HydrophobicContact CB-CB 4Å; L231-F338 HydrophobicContact CB-CG 4.26Å; L231-F338 HydrophobicContact CD2-CB 4.32Å; L231-F338 HydrophobicContact CD2-CD1 3.56Å; L231-F338 HydrophobicContact CD2-CE1 3.94Å; L231-F338 HydrophobicContact CD2-CG 3.88Å; L231-F338 HydrophobicContact CG-CB 4.46Å; L231-F338 HydrophobicContact CG-CD1 4.34Å; L231-F338 HydrophobicContact CG-CG 4.18Å; R233-F338 HydrophobicContact CG-CE2 3.68Å; R233-F338 HydrophobicContact CG-CZ 4Å; K336-F338 HydrophobicContact CB-CZ 4.32Å; K336-F338 HydrophobicContact CD-CE1 3.81Å; K336-F338 HydrophobicContact CD-CZ 4.07Å; K336-F338 HydrophobicContact CG-CD1 4.49Å; K336-F338 HydrophobicContact CG-CE1 3.95Å; K336-F338 HydrophobicContact CG-CZ 4.08Å
339S62.6Low87.9Confident122 Ų12280.5 Ų80.585%0.85345%0.447SS*.  trans-92.30-174.963.20000113.4K221 Q337K221-S339 VanDerWaalsContact CE-OXT 3.23Å; K221-S339 WeakPolarHBondContact CE-OXT 3.02Å; K221-S339 PolarHBondContact NZ-O 3.41Å; K221-S339 PolarHBondContact NZ-OXT 3.26Å; Q337-S339 PolarHBondContact O-N 3.33Å

Retrieved 339 of 339 residues in 1258.4 ms (Link to these results)

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