A0A077YZB6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YZB6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 184 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
1M45.6Very low49.6Very low200 Ų20056.6 Ų56.699%0.98532%0.316SS*.  0148.80-68.6161.680.300107.4
2S46.9Very low49.8Very low49 Ų4961.1 Ų61.134%0.34333%0.332SS..  trans-64.7143.3172.748.80000110.4E6 K7S2-E6 WeakPolarHBondContact CA-OE2 3.34Å; S2-E6 WeakPolarHBondContact CB-OE2 3.22Å; S2-K7 WeakPolarHBondContact O-CE 3.46Å; S2-K7 WeakPolarHBondContact OG-CG 3.37Å
3S48.3Very low50.8Low49 Ų4970.6 Ų70.634%0.34336%0.36SS..  trans-63.5156.8-17965.40000111.3C5 E6 K7S3-C5 PolarHBondContact O-N 2.68Å; S3-E6 PolarHBondContact N-OE2 3.01Å; S3-E6 WeakPolarHBondContact O-CB 3.4Å; S3-E6 PolarHBondContact O-N 2.97Å; S3-E6 VanDerWaalsContact O-N 3.12Å; S3-E6 WeakPolarHBondContact OG-CB 3.3Å; S3-E6 VanDerWaalsContact OG-CG 3.25Å; S3-E6 WeakPolarHBondContact OG-CG 3.29Å; S3-E6 PolarHBondContact OG-N 3.14Å; S3-E6 VanDerWaalsContact OG-N 3.13Å; S3-E6 PolarHBondContact OG-OE1 3.2Å; S3-K7 WeakPolarHBondContact O-CG 3.3Å; S3-K7 PolarHBondContact O-N 3.37Å
4F45.5Very low51.5Low27 Ų2767.3 Ų67.312%0.11834%0.342CS..Hα-helixtrans-55.1-42.6174174.9-99.6000110.9E6 K7 M8 L34 S57 F59F4-E6 PolarHBondContact O-N 3Å; F4-K7 PolarHBondContact O-N 2.62Å; F4-M8 HydrophobicContact CD1-CG 3.99Å; F4-M8 HydrophobicContact CD2-CG 4.15Å; F4-M8 HydrophobicContact CE1-CG 3.64Å; F4-M8 HydrophobicContact CE1-SD 4.49Å; F4-M8 HydrophobicContact CE2-CG 3.78Å; F4-M8 HydrophobicContact CE2-SD 3.91Å; F4-M8 HydrophobicContact CG-CG 4.25Å; F4-M8 HydrophobicContact CZ-CG 3.51Å; F4-M8 HydrophobicContact CZ-SD 3.79Å; F4-M8 WeakPolarHBondContact O-CB 3.26Å; F4-M8 WeakPolarHBondContact O-CG 3.37Å; F4-M8 PolarHBondContact O-N 3.42Å; F4-L34 HydrophobicContact CD2-CD1 4.48Å; F4-L34 HydrophobicContact CD2-CD2 4.06Å; F4-L34 HydrophobicContact CE2-CD1 3.8Å; F4-L34 HydrophobicContact CE2-CD2 3.76Å; F4-L34 HydrophobicContact CE2-CG 4.4Å; F4-S57 VanDerWaalsContact CD1-CB 3.43Å; F4-S57 WeakPolarHBondContact CD1-O 3.48Å; F4-S57 VanDerWaalsContact CE1-C 3.47Å; F4-S57 WeakPolarHBondContact CE1-O 3.38Å; F4-F59 HydrophobicContact CD1-CD2 4.49Å; F4-F59 HydrophobicContact CE1-CB 4.33Å; F4-F59 AromaticContact CE1-CD2 3.37Å; F4-F59 HydrophobicContact CE1-CD2 3.37Å; F4-F59 AromaticContact CE1-CE2 3.95Å; F4-F59 HydrophobicContact CE1-CE2 3.95Å; F4-F59 HydrophobicContact CE1-CG 4.05Å; F4-F59 HydrophobicContact CZ-CB 3.91Å; F4-F59 AromaticContact CZ-CD2 3.79Å; F4-F59 HydrophobicContact CZ-CD2 3.79Å; F4-F59 HydrophobicContact CZ-CG 4.15Å
5C42.1Very low52.2Low69 Ų6967.5 Ų67.547%0.46634%0.344SS..Hα-helixtrans-60.5-42.1174.8-63.10000113.4S3 M8 S9S3-C5 PolarHBondContact O-N 2.68Å; C5-M8 PolarHBondContact O-N 2.87Å; C5-S9 WeakPolarHBondContact O-CB 3.44Å; C5-S9 PolarHBondContact O-N 2.97Å
6E49.5Very low52.2Low101 Ų10171 Ų7147%0.47236%0.359SS..Hα-helixtrans-61.4-49.5173.5-78.9151.7-133.900111.5S2 S3 F4 M8 S9 E10S2-E6 WeakPolarHBondContact CA-OE2 3.34Å; S2-E6 WeakPolarHBondContact CB-OE2 3.22Å; S3-E6 PolarHBondContact N-OE2 3.01Å; S3-E6 WeakPolarHBondContact O-CB 3.4Å; S3-E6 PolarHBondContact O-N 2.97Å; S3-E6 VanDerWaalsContact O-N 3.12Å; S3-E6 WeakPolarHBondContact OG-CB 3.3Å; S3-E6 VanDerWaalsContact OG-CG 3.25Å; S3-E6 WeakPolarHBondContact OG-CG 3.29Å; S3-E6 PolarHBondContact OG-N 3.14Å; S3-E6 VanDerWaalsContact OG-N 3.13Å; S3-E6 PolarHBondContact OG-OE1 3.2Å; F4-E6 PolarHBondContact O-N 3Å; E6-M8 VanDerWaalsContact C-N 3.34Å; E6-M8 PolarHBondContact O-N 2.78Å; E6-S9 PolarHBondContact O-N 3.12Å; E6-S9 VanDerWaalsContact O-N 3.15Å; E6-S9 PolarHBondContact O-OG 2.93Å; E6-E10 PolarHBondContact O-N 3.47Å
7K50.6Low53Low19 Ų1972.3 Ų72.38%0.08338%0.376CS..Hα-helixtrans-55.4-50.8175.9-65.1173.2-179.8-163.10110.1S2 S3 F4 S9 E10 W26 K30 D33S2-K7 WeakPolarHBondContact O-CE 3.46Å; S2-K7 WeakPolarHBondContact OG-CG 3.37Å; S3-K7 WeakPolarHBondContact O-CG 3.3Å; S3-K7 PolarHBondContact O-N 3.37Å; F4-K7 PolarHBondContact O-N 2.62Å; K7-S9 VanDerWaalsContact C-N 3.29Å; K7-S9 PolarHBondContact O-N 3.49Å; K7-E10 WeakPolarHBondContact O-CB 3.19Å; K7-E10 PolarHBondContact O-N 3.37Å; K7-E10 VanDerWaalsContact O-N 3.09Å; K7-W26 HydrophobicContact CB-CH2 4.46Å; K7-W26 WeakPolarHBondContact O-CH2 3.48Å; K7-K30 VanDerWaalsContact CD-O 3.31Å; K7-K30 WeakPolarHBondContact CD-O 3.4Å; K7-K30 VanDerWaalsContact CE-O 3.23Å; K7-K30 WeakPolarHBondContact CE-O 3.21Å; K7-K30 PolarHBondContact NZ-O 3.01Å; K7-D33 IonicContact NZ-OD2 3.14Å; K7-D33 PolarHBondContact NZ-OD2 2.69Å
8M52.1Low53.3Low16 Ų1669.6 Ų69.68%0.07936%0.363CS..Hα-helixtrans-64.1-31.5179.8-67.2-62-60.900112.8F4 C5 E6 E10 L11 F59 L95F4-M8 HydrophobicContact CD1-CG 3.99Å; F4-M8 HydrophobicContact CD2-CG 4.15Å; F4-M8 HydrophobicContact CE1-CG 3.64Å; F4-M8 HydrophobicContact CE1-SD 4.49Å; F4-M8 HydrophobicContact CE2-CG 3.78Å; F4-M8 HydrophobicContact CE2-SD 3.91Å; F4-M8 HydrophobicContact CG-CG 4.25Å; F4-M8 HydrophobicContact CZ-CG 3.51Å; F4-M8 HydrophobicContact CZ-SD 3.79Å; F4-M8 WeakPolarHBondContact O-CB 3.26Å; F4-M8 WeakPolarHBondContact O-CG 3.37Å; F4-M8 PolarHBondContact O-N 3.42Å; C5-M8 PolarHBondContact O-N 2.87Å; E6-M8 VanDerWaalsContact C-N 3.34Å; E6-M8 PolarHBondContact O-N 2.78Å; M8-E10 VanDerWaalsContact C-N 3.29Å; M8-E10 PolarHBondContact O-N 2.85Å; M8-L11 HydrophobicContact CE-CD1 3.57Å; M8-L11 VanDerWaalsContact O-CB 3.3Å; M8-L11 WeakPolarHBondContact O-CB 3.31Å; M8-L11 PolarHBondContact O-N 2.86Å; M8-L11 HydrophobicContact SD-CD1 3.48Å; M8-L11 WeakPolarHBondContact SD-CD1 3.47Å; M8-F59 HydrophobicContact CE-CB 3.73Å; M8-F59 HydrophobicContact CE-CD2 3.94Å; M8-F59 HydrophobicContact CE-CG 4.28Å; M8-F59 HydrophobicContact CG-CD2 4.18Å; M8-L95 HydrophobicContact CE-CD1 3.48Å; M8-L95 VanDerWaalsContact CE-CD1 3.48Å; M8-L95 HydrophobicContact CE-CG 4.43Å
9S50.1Low53.8Low65 Ų6569.1 Ų69.146%0.45536%0.364SS..Hα-helixtrans-66.7-29174.677.10000113.1C5 E6 K7 L11 H12C5-S9 WeakPolarHBondContact O-CB 3.44Å; C5-S9 PolarHBondContact O-N 2.97Å; E6-S9 PolarHBondContact O-N 3.12Å; E6-S9 VanDerWaalsContact O-N 3.15Å; E6-S9 PolarHBondContact O-OG 2.93Å; K7-S9 VanDerWaalsContact C-N 3.29Å; K7-S9 PolarHBondContact O-N 3.49Å; S9-L11 PolarHBondContact O-N 3.44Å; S9-H12 WeakPolarHBondContact O-CB 3.23Å; S9-H12 PolarHBondContact O-CD2 2.95Å; S9-H12 PolarHBondContact O-N 3.12Å
10E58.1Low53.6Low25 Ų2567.9 Ų67.912%0.11736%0.36CS..Hα-helixtrans-64.7-22.2171.7-65-172.4-136.900112.4E6 K7 M8 H12 R13 W26 K30E6-E10 PolarHBondContact O-N 3.47Å; K7-E10 WeakPolarHBondContact O-CB 3.19Å; K7-E10 PolarHBondContact O-N 3.37Å; K7-E10 VanDerWaalsContact O-N 3.09Å; M8-E10 VanDerWaalsContact C-N 3.29Å; M8-E10 PolarHBondContact O-N 2.85Å; E10-H12 PolarHBondContact O-N 2.96Å; E10-R13 WeakPolarHBondContact O-CB 3.14Å; E10-R13 VanDerWaalsContact O-CG 3.29Å; E10-R13 WeakPolarHBondContact O-CG 3.36Å; E10-R13 PolarHBondContact O-N 3.35Å; E10-R13 IonicContact OE2-NH1 2.96Å; E10-R13 PolarHBondContact OE2-NH1 3.31Å; E10-R13 VanDerWaalsContact OE2-NH1 3.14Å; E10-W26 HydrophobicContact CB-CH2 4.11Å; E10-W26 HydrophobicContact CB-CZ2 3.42Å; E10-W26 VanDerWaalsContact CB-CZ2 3.42Å; E10-W26 HydrophobicContact CG-CZ2 4.14Å; E10-W26 PolarHBondContact OE2-NE1 3.32Å; E10-K30 IonicContact OE1-NZ 2.68Å; E10-K30 PolarHBondContact OE1-NZ 3.31Å; E10-K30 WeakPolarHBondContact OE2-CE 3.47Å; E10-K30 IonicContact OE2-NZ 2.97Å; E10-K30 PolarHBondContact OE2-NZ 2.96Å
11L57Low53.8Low3 Ų370.9 Ų70.92%0.01637%0.37CS..G310 helixtrans-68.8-20.1176.6-69.3158.2000112.7M8 S9 R13 F14 V23 W26 L27 L95M8-L11 HydrophobicContact CE-CD1 3.57Å; M8-L11 VanDerWaalsContact O-CB 3.3Å; M8-L11 WeakPolarHBondContact O-CB 3.31Å; M8-L11 PolarHBondContact O-N 2.86Å; M8-L11 HydrophobicContact SD-CD1 3.48Å; M8-L11 WeakPolarHBondContact SD-CD1 3.47Å; S9-L11 PolarHBondContact O-N 3.44Å; L11-R13 PolarHBondContact O-N 3.45Å; L11-F14 HydrophobicContact CD2-CD2 3.86Å; L11-F14 HydrophobicContact CD2-CE2 3.95Å; L11-F14 PolarHBondContact O-N 2.87Å; L11-V23 HydrophobicContact CD2-CG1 3.98Å; L11-W26 HydrophobicContact CD1-CZ3 3.96Å; L11-W26 HydrophobicContact CD2-CE3 3.52Å; L11-W26 HydrophobicContact CD2-CH2 4.36Å; L11-W26 HydrophobicContact CD2-CZ3 3.42Å; L11-W26 VanDerWaalsContact CD2-CZ3 3.42Å; L11-W26 HydrophobicContact CG-CE3 4.11Å; L11-W26 HydrophobicContact CG-CH2 4.04Å; L11-W26 HydrophobicContact CG-CZ3 3.51Å; L11-L27 HydrophobicContact CD1-CD2 3.98Å; L11-L27 HydrophobicContact CD2-CD2 3.92Å; L11-L27 HydrophobicContact CD2-CG 4.18Å; L11-L95 HydrophobicContact CB-CD1 4.16Å; L11-L95 HydrophobicContact CD1-CD1 3.41Å; L11-L95 VanDerWaalsContact CD1-CD1 3.41Å; L11-L95 HydrophobicContact CG-CD1 4.25Å
12H52.4Low54.5Low110 Ų11064.9 Ų64.951%0.50934%0.341SS..G310 helixtrans-68-14.1169.9-64.8-65.3000113.2S9 E10 F14 G103S9-H12 WeakPolarHBondContact O-CB 3.23Å; S9-H12 PolarHBondContact O-CD2 2.95Å; S9-H12 PolarHBondContact O-N 3.12Å; E10-H12 PolarHBondContact O-N 2.96Å; H12-F14 PolarHBondContact O-N 3.35Å; H12-G103 PolarHBondContact CE1-O 2.75Å; H12-G103 VanDerWaalsContact CE1-O 3.31Å; H12-G103 PolarHBondContact ND1-O 3.2Å
13R62.3Low55Low185 Ų18562.6 Ų62.670%0.69833%0.326SS*.G310 helixtrans-73-16.7172.9-59.2173.6175.7166.7-1.3112.6E10 L11E10-R13 WeakPolarHBondContact O-CB 3.14Å; E10-R13 VanDerWaalsContact O-CG 3.29Å; E10-R13 WeakPolarHBondContact O-CG 3.36Å; E10-R13 PolarHBondContact O-N 3.35Å; E10-R13 IonicContact OE2-NH1 2.96Å; E10-R13 PolarHBondContact OE2-NH1 3.31Å; E10-R13 VanDerWaalsContact OE2-NH1 3.14Å; L11-R13 PolarHBondContact O-N 3.45Å
14F61.1Low55.2Low24 Ų2464.7 Ų64.711%0.10533%0.326CS..  trans-91.9124.3175.6-59.3-53.7000109.8L11 H12 T18 I22 V23 W26 L101L11-F14 HydrophobicContact CD2-CD2 3.86Å; L11-F14 HydrophobicContact CD2-CE2 3.95Å; L11-F14 PolarHBondContact O-N 2.87Å; H12-F14 PolarHBondContact O-N 3.35Å; F14-T18 HydrophobicContact CB-CG2 4.1Å; F14-T18 HydrophobicContact CD1-CG2 3.53Å; F14-T18 HydrophobicContact CE1-CG2 4.26Å; F14-T18 HydrophobicContact CG-CG2 4.07Å; F14-I22 HydrophobicContact CE1-CG2 4.13Å; F14-V23 HydrophobicContact CB-CG2 4.15Å; F14-V23 HydrophobicContact CD1-CG2 4.39Å; F14-V23 HydrophobicContact CD2-CB 4.46Å; F14-V23 HydrophobicContact CD2-CG1 4.04Å; F14-V23 HydrophobicContact CD2-CG2 4.07Å; F14-V23 HydrophobicContact CE2-CG1 4.34Å; F14-V23 HydrophobicContact CG-CG2 3.96Å; F14-W26 HydrophobicContact CE2-CB 3.92Å; F14-W26 AromaticContact CE2-CD2 3.67Å; F14-W26 HydrophobicContact CE2-CD2 3.67Å; F14-W26 AromaticContact CE2-CE3 3.93Å; F14-W26 HydrophobicContact CE2-CE3 3.93Å; F14-W26 AromaticContact CE2-CG 3.63Å; F14-W26 HydrophobicContact CE2-CG 3.63Å; F14-W26 HydrophobicContact CZ-CB 3.57Å; F14-W26 AromaticContact CZ-CD1 3.67Å; F14-W26 AromaticContact CZ-CD2 3.98Å; F14-W26 HydrophobicContact CZ-CD2 3.98Å; F14-W26 AromaticContact CZ-CG 3.43Å; F14-W26 HydrophobicContact CZ-CG 3.43Å; F14-W26 VanDerWaalsContact CZ-CG 3.43Å; F14-L101 HydrophobicContact CB-CD2 3.34Å; F14-L101 VanDerWaalsContact O-CD2 3.27Å; F14-L101 WeakPolarHBondContact O-CD2 3.47Å
15D62Low55.8Low70 Ų7069.5 Ų69.537%0.37435%0.347SS..  trans-98.2-177.8179.174.3-25.1000111.4S17 T18 L101D15-S17 PolarHBondContact O-N 3.33Å; D15-S17 PolarHBondContact OD1-N 3.25Å; D15-S17 PolarHBondContact OD1-OG 3.27Å; D15-S17 VanDerWaalsContact OD2-CB 3.3Å; D15-S17 WeakPolarHBondContact OD2-CB 3.28Å; D15-S17 PolarHBondContact OD2-N 2.65Å; D15-S17 PolarHBondContact OD2-OG 3.3Å; D15-T18 PolarHBondContact N-OG1 3.27Å; D15-T18 WeakPolarHBondContact O-CB 3.39Å; D15-T18 PolarHBondContact O-N 3.09Å; D15-T18 WeakPolarHBondContact OD1-CB 3.48Å; D15-T18 PolarHBondContact OD1-N 2.85Å; D15-T18 PolarHBondContact OD1-OG1 3.4Å; D15-L101 VanDerWaalsContact O-CD2 3.29Å; D15-L101 WeakPolarHBondContact O-CD2 3.44Å
16Q52.4Low56.8Low124 Ų12468 Ų6858%0.57933%0.331SS*.THydrogen-bonded Turntrans-69.8-16.6178.3-62.1-178.719.400113.4
17S65.2Low57.2Low93 Ų9363.8 Ų63.865%0.6531%0.312SS*.THydrogen-bonded Turntrans-82.2-22.8174.981.60000113D15 P19D15-S17 PolarHBondContact O-N 3.33Å; D15-S17 PolarHBondContact OD1-N 3.25Å; D15-S17 PolarHBondContact OD1-OG 3.27Å; D15-S17 VanDerWaalsContact OD2-CB 3.3Å; D15-S17 WeakPolarHBondContact OD2-CB 3.28Å; D15-S17 PolarHBondContact OD2-N 2.65Å; D15-S17 PolarHBondContact OD2-OG 3.3Å; S17-P19 VanDerWaalsContact O-CD 3.26Å; S17-P19 WeakPolarHBondContact O-CD 3.37Å
18T58.3Low57.2Low24 Ų2465.4 Ų65.415%0.14733%0.329CS..SBendtrans-59118.6-179.2-62.20000111.3F14 D15 T20 I22 V23F14-T18 HydrophobicContact CB-CG2 4.1Å; F14-T18 HydrophobicContact CD1-CG2 3.53Å; F14-T18 HydrophobicContact CE1-CG2 4.26Å; F14-T18 HydrophobicContact CG-CG2 4.07Å; D15-T18 PolarHBondContact N-OG1 3.27Å; D15-T18 WeakPolarHBondContact O-CB 3.39Å; D15-T18 PolarHBondContact O-N 3.09Å; D15-T18 WeakPolarHBondContact OD1-CB 3.48Å; D15-T18 PolarHBondContact OD1-N 2.85Å; D15-T18 PolarHBondContact OD1-OG1 3.4Å; T18-T20 PolarHBondContact O-N 3Å; T18-I22 HydrophobicContact CG2-CB 4.21Å; T18-I22 HydrophobicContact CG2-CG2 4.41Å; T18-V23 HydrophobicContact CG2-CG2 3.65Å
19P62.4Low57.5Low59 Ų5972.9 Ų72.938%0.38336%0.356SS..  trans-58.8131.5175.3-25.134.4000112.2S17 F21 I22S17-P19 VanDerWaalsContact O-CD 3.26Å; S17-P19 WeakPolarHBondContact O-CD 3.37Å; P19-F21 HydrophobicContact CB-CD1 3.56Å; P19-F21 HydrophobicContact CB-CE1 3.3Å; P19-F21 HydrophobicContact CB-CZ 4.06Å; P19-F21 HydrophobicContact CG-CE1 4.06Å; P19-F21 PolarHBondContact O-N 2.81Å; P19-I22 HydrophobicContact CB-CD1 4.48Å; P19-I22 HydrophobicContact CB-CG1 4.34Å; P19-I22 HydrophobicContact CG-CD1 4.24Å; P19-I22 WeakPolarHBondContact O-CB 3.09Å; P19-I22 PolarHBondContact O-N 3.15Å
20T50.6Low57.9Low45 Ų4573.4 Ų73.428%0.27635%0.35SS..Hα-helixtrans-57.2-27-174.355.90000113.9T18 I22 V23 R24 G99T18-T20 PolarHBondContact O-N 3Å; T20-I22 VanDerWaalsContact C-N 3.31Å; T20-I22 PolarHBondContact O-N 3.22Å; T20-V23 PolarHBondContact O-N 2.66Å; T20-R24 VanDerWaalsContact O-CG 3.3Å; T20-R24 WeakPolarHBondContact O-CG 3.12Å; T20-R24 PolarHBondContact O-N 3.29Å; T20-G99 WeakPolarHBondContact CG2-O 3.47Å
21F56.8Low57.5Low132 Ų13272.3 Ų72.358%0.57935%0.345SS*.Hα-helixtrans-67.1-28.617575.6-97.6000113.5P19 K25P19-F21 HydrophobicContact CB-CD1 3.56Å; P19-F21 HydrophobicContact CB-CE1 3.3Å; P19-F21 HydrophobicContact CB-CZ 4.06Å; P19-F21 HydrophobicContact CG-CE1 4.06Å; P19-F21 PolarHBondContact O-N 2.81Å; F21-K25 WeakPolarHBondContact O-CB 3.36Å; F21-K25 PolarHBondContact O-N 3.21Å
22I61.3Low56.9Low73 Ų7378.8 Ų78.837%0.37438%0.379SS..Hα-helixtrans-69.5-46.3174.3-59.5-173000109.3F14 T18 P19 T20 R24 K25 W26F14-I22 HydrophobicContact CE1-CG2 4.13Å; T18-I22 HydrophobicContact CG2-CB 4.21Å; T18-I22 HydrophobicContact CG2-CG2 4.41Å; P19-I22 HydrophobicContact CB-CD1 4.48Å; P19-I22 HydrophobicContact CB-CG1 4.34Å; P19-I22 HydrophobicContact CG-CD1 4.24Å; P19-I22 WeakPolarHBondContact O-CB 3.09Å; P19-I22 PolarHBondContact O-N 3.15Å; T20-I22 VanDerWaalsContact C-N 3.31Å; T20-I22 PolarHBondContact O-N 3.22Å; I22-R24 VanDerWaalsContact C-N 3.35Å; I22-R24 PolarHBondContact O-N 3.07Å; I22-K25 PolarHBondContact O-N 3.46Å; I22-W26 WeakPolarHBondContact O-CB 3.41Å; I22-W26 PolarHBondContact O-N 3.3Å
23V56.7Low56.4Low2 Ų276 Ų761%0.01237%0.368CS..Hα-helixtrans-59.2-45.4176-169.90000110.6L11 F14 T18 T20 K25 W26 L27 L101L11-V23 HydrophobicContact CD2-CG1 3.98Å; F14-V23 HydrophobicContact CB-CG2 4.15Å; F14-V23 HydrophobicContact CD1-CG2 4.39Å; F14-V23 HydrophobicContact CD2-CB 4.46Å; F14-V23 HydrophobicContact CD2-CG1 4.04Å; F14-V23 HydrophobicContact CD2-CG2 4.07Å; F14-V23 HydrophobicContact CE2-CG1 4.34Å; F14-V23 HydrophobicContact CG-CG2 3.96Å; T18-V23 HydrophobicContact CG2-CG2 3.65Å; T20-V23 PolarHBondContact O-N 2.66Å; V23-K25 PolarHBondContact O-N 3.19Å; V23-W26 PolarHBondContact O-N 3.03Å; V23-L27 HydrophobicContact CG1-CD1 3.98Å; V23-L27 HydrophobicContact CG1-CG 4.41Å; V23-L27 WeakPolarHBondContact O-CB 3.13Å; V23-L27 VanDerWaalsContact O-CG 3.28Å; V23-L27 WeakPolarHBondContact O-CG 3.42Å; V23-L27 PolarHBondContact O-N 3.08Å; V23-L101 HydrophobicContact CG1-CD1 4.23Å; V23-L101 HydrophobicContact CG2-CD1 4.39Å; V23-L101 HydrophobicContact CG2-CD2 4.32Å
24R52.6Low55.5Low93 Ų9368 Ų6835%0.35134%0.339SS..Hα-helixtrans-57.4-47.2174.1-69.7171.4-160.8179.61.4112.6T20 I22 W26 L27 A28 F43T20-R24 VanDerWaalsContact O-CG 3.3Å; T20-R24 WeakPolarHBondContact O-CG 3.12Å; T20-R24 PolarHBondContact O-N 3.29Å; I22-R24 VanDerWaalsContact C-N 3.35Å; I22-R24 PolarHBondContact O-N 3.07Å; R24-W26 VanDerWaalsContact C-N 3.33Å; R24-W26 PolarHBondContact O-N 3.41Å; R24-L27 PolarHBondContact O-N 3.5Å; R24-A28 WeakPolarHBondContact O-CB 3.48Å; R24-A28 PolarHBondContact O-N 3.24Å; R24-F43 HydrophobicContact CG-CD1 4.4Å; R24-F43 HydrophobicContact CG-CE1 4.27Å; R24-F43 HydrophobicContact CG-CZ 4.41Å; R24-F43 VanDerWaalsContact NH2-CE2 3.3Å
25K57.5Low54.4Low128 Ų12871.5 Ų71.556%0.55736%0.357SS*.Hα-helixtrans-68.3-32.3-179.4-171173.2-175.6174.30112.3F21 I22 V23 R29F21-K25 WeakPolarHBondContact O-CB 3.36Å; F21-K25 PolarHBondContact O-N 3.21Å; I22-K25 PolarHBondContact O-N 3.46Å; V23-K25 PolarHBondContact O-N 3.19Å; K25-R29 WeakPolarHBondContact O-CB 3.44Å; K25-R29 WeakPolarHBondContact O-CD 3.3Å; K25-R29 WeakPolarHBondContact O-CG 3.4Å; K25-R29 PolarHBondContact O-N 2.95Å
26W64.9Low53.4Low37 Ų3771.7 Ų71.714%0.1436%0.36CS..Hα-helixtrans-70.6-46.8172.8179.199.1000111K7 E10 L11 F14 I22 V23 R24 R29 K30K7-W26 HydrophobicContact CB-CH2 4.46Å; K7-W26 WeakPolarHBondContact O-CH2 3.48Å; E10-W26 HydrophobicContact CB-CH2 4.11Å; E10-W26 HydrophobicContact CB-CZ2 3.42Å; E10-W26 VanDerWaalsContact CB-CZ2 3.42Å; E10-W26 HydrophobicContact CG-CZ2 4.14Å; E10-W26 PolarHBondContact OE2-NE1 3.32Å; L11-W26 HydrophobicContact CD1-CZ3 3.96Å; L11-W26 HydrophobicContact CD2-CE3 3.52Å; L11-W26 HydrophobicContact CD2-CH2 4.36Å; L11-W26 HydrophobicContact CD2-CZ3 3.42Å; L11-W26 VanDerWaalsContact CD2-CZ3 3.42Å; L11-W26 HydrophobicContact CG-CE3 4.11Å; L11-W26 HydrophobicContact CG-CH2 4.04Å; L11-W26 HydrophobicContact CG-CZ3 3.51Å; F14-W26 HydrophobicContact CE2-CB 3.92Å; F14-W26 AromaticContact CE2-CD2 3.67Å; F14-W26 HydrophobicContact CE2-CD2 3.67Å; F14-W26 AromaticContact CE2-CE3 3.93Å; F14-W26 HydrophobicContact CE2-CE3 3.93Å; F14-W26 AromaticContact CE2-CG 3.63Å; F14-W26 HydrophobicContact CE2-CG 3.63Å; F14-W26 HydrophobicContact CZ-CB 3.57Å; F14-W26 AromaticContact CZ-CD1 3.67Å; F14-W26 AromaticContact CZ-CD2 3.98Å; F14-W26 HydrophobicContact CZ-CD2 3.98Å; F14-W26 AromaticContact CZ-CG 3.43Å; F14-W26 HydrophobicContact CZ-CG 3.43Å; F14-W26 VanDerWaalsContact CZ-CG 3.43Å; I22-W26 WeakPolarHBondContact O-CB 3.41Å; I22-W26 PolarHBondContact O-N 3.3Å; V23-W26 PolarHBondContact O-N 3.03Å; R24-W26 VanDerWaalsContact C-N 3.33Å; R24-W26 PolarHBondContact O-N 3.41Å; W26-R29 PolarHBondContact O-N 3.47Å; W26-R29 VanDerWaalsContact O-N 3.12Å; W26-K30 HydrophobicContact CD2-CB 4.37Å; W26-K30 HydrophobicContact CD2-CG 4.12Å; W26-K30 HydrophobicContact CE3-CB 4.47Å; W26-K30 HydrophobicContact CH2-CB 3.73Å; W26-K30 HydrophobicContact CH2-CG 4.11Å; W26-K30 HydrophobicContact CZ2-CB 3.69Å; W26-K30 HydrophobicContact CZ2-CD 3.85Å; W26-K30 HydrophobicContact CZ2-CG 3.52Å; W26-K30 HydrophobicContact CZ3-CB 4.16Å; W26-K30 WeakPolarHBondContact O-CB 3.47Å; W26-K30 PolarHBondContact O-N 2.82Å
27L56.8Low52.7Low13 Ų1368.5 Ų68.57%0.06835%0.347CS..Hα-helixtrans-55.2-57.9176-77.5163.4000110.2L11 V23 R24 R29 K30 C31 L45L11-L27 HydrophobicContact CD1-CD2 3.98Å; L11-L27 HydrophobicContact CD2-CD2 3.92Å; L11-L27 HydrophobicContact CD2-CG 4.18Å; V23-L27 HydrophobicContact CG1-CD1 3.98Å; V23-L27 HydrophobicContact CG1-CG 4.41Å; V23-L27 WeakPolarHBondContact O-CB 3.13Å; V23-L27 VanDerWaalsContact O-CG 3.28Å; V23-L27 WeakPolarHBondContact O-CG 3.42Å; V23-L27 PolarHBondContact O-N 3.08Å; R24-L27 PolarHBondContact O-N 3.5Å; L27-R29 PolarHBondContact O-N 3.29Å; L27-K30 PolarHBondContact O-N 3.12Å; L27-K30 VanDerWaalsContact O-N 3.12Å; L27-C31 WeakPolarHBondContact O-CA 3.29Å; L27-C31 WeakPolarHBondContact O-CB 3.25Å; L27-C31 PolarHBondContact O-N 3.43Å; L27-L45 HydrophobicContact CB-CD2 4.4Å; L27-L45 HydrophobicContact CD1-CD1 3.84Å; L27-L45 HydrophobicContact CD1-CD2 4.3Å; L27-L45 HydrophobicContact CD2-CD1 3.63Å; L27-L45 HydrophobicContact CD2-CD2 3.83Å; L27-L45 HydrophobicContact CD2-CG 4.39Å; L27-L45 HydrophobicContact CG-CD1 4.37Å; L27-L45 HydrophobicContact CG-CD2 4.41Å
28A51.4Low51.3Low52 Ų5269.6 Ų69.643%0.4334%0.342SS..Hα-helixtrans-57.5-21.518000000114.5R24 L32R24-A28 WeakPolarHBondContact O-CB 3.48Å; R24-A28 PolarHBondContact O-N 3.24Å; A28-L32 VanDerWaalsContact O-CD2 3.3Å; A28-L32 WeakPolarHBondContact O-CD2 3.48Å
29R58Low50.1Low173 Ų17370.7 Ų70.765%0.65335%0.346SS*.Hα-helixtrans-89.6-36.1177.1-77.9173.9166.2-166.8-9.7114.1K25 W26 L27K25-R29 WeakPolarHBondContact O-CB 3.44Å; K25-R29 WeakPolarHBondContact O-CD 3.3Å; K25-R29 WeakPolarHBondContact O-CG 3.4Å; K25-R29 PolarHBondContact O-N 2.95Å; W26-R29 PolarHBondContact O-N 3.47Å; W26-R29 VanDerWaalsContact O-N 3.12Å; L27-R29 PolarHBondContact O-N 3.29Å
30K58.5Low48.9Very low76 Ų7670 Ų7033%0.3335%0.349SS..Hα-helixtrans-95.7-29.3-174-74.4-94.7-169.7165.10112.2K7 E10 W26 L27K7-K30 VanDerWaalsContact CD-O 3.31Å; K7-K30 WeakPolarHBondContact CD-O 3.4Å; K7-K30 VanDerWaalsContact CE-O 3.23Å; K7-K30 WeakPolarHBondContact CE-O 3.21Å; K7-K30 PolarHBondContact NZ-O 3.01Å; E10-K30 IonicContact OE1-NZ 2.68Å; E10-K30 PolarHBondContact OE1-NZ 3.31Å; E10-K30 WeakPolarHBondContact OE2-CE 3.47Å; E10-K30 IonicContact OE2-NZ 2.97Å; E10-K30 PolarHBondContact OE2-NZ 2.96Å; W26-K30 HydrophobicContact CD2-CB 4.37Å; W26-K30 HydrophobicContact CD2-CG 4.12Å; W26-K30 HydrophobicContact CE3-CB 4.47Å; W26-K30 HydrophobicContact CH2-CB 3.73Å; W26-K30 HydrophobicContact CH2-CG 4.11Å; W26-K30 HydrophobicContact CZ2-CB 3.69Å; W26-K30 HydrophobicContact CZ2-CD 3.85Å; W26-K30 HydrophobicContact CZ2-CG 3.52Å; W26-K30 HydrophobicContact CZ3-CB 4.16Å; W26-K30 WeakPolarHBondContact O-CB 3.47Å; W26-K30 PolarHBondContact O-N 2.82Å; L27-K30 PolarHBondContact O-N 3.12Å; L27-K30 VanDerWaalsContact O-N 3.12Å
31C50.5Low48.2Very low2 Ų274.3 Ų74.31%0.01436%0.364CS..  trans-110.746-177-60.10000110.2L27 D33 L34L27-C31 WeakPolarHBondContact O-CA 3.29Å; L27-C31 WeakPolarHBondContact O-CB 3.25Å; L27-C31 PolarHBondContact O-N 3.43Å; C31-D33 PolarHBondContact O-N 2.74Å; C31-L34 HydrophobicContact CB-CB 3.89Å; C31-L34 HydrophobicContact CB-CD1 3.46Å; C31-L34 VanDerWaalsContact CB-CD1 3.46Å; C31-L34 HydrophobicContact CB-CG 3.58Å; C31-L34 PolarHBondContact O-N 3.42Å; C31-L34 VanDerWaalsContact SG-CD1 3.6Å
32L42.7Very low47.2Very low140 Ų14068 Ų6873%0.73334%0.337SS*.THydrogen-bonded Turntrans-58-26.9171.1-73.5164.8000111.8A28 L34A28-L32 VanDerWaalsContact O-CD2 3.3Å; A28-L32 WeakPolarHBondContact O-CD2 3.48Å; L32-L34 VanDerWaalsContact C-N 3.29Å
33D43.2Very low46.1Very low52 Ų5265.9 Ų65.928%0.27833%0.325SS..THydrogen-bonded Turntrans-87.110.1175.3-23.2-65.8000112.9K7 C31 S48K7-D33 IonicContact NZ-OD2 3.14Å; K7-D33 PolarHBondContact NZ-OD2 2.69Å; C31-D33 PolarHBondContact O-N 2.74Å; D33-S48 PolarHBondContact O-OG 2.97Å; D33-S48 VanDerWaalsContact O-OG 3.04Å
34L43.6Very low45.5Very low15 Ų1565.9 Ų65.98%0.07933%0.325CS..EExtended strand (participates in β ladder)trans-113.7129171.9-56.1-175.2000110F4 C31 L32 T36 L45 F46 N47F4-L34 HydrophobicContact CD2-CD1 4.48Å; F4-L34 HydrophobicContact CD2-CD2 4.06Å; F4-L34 HydrophobicContact CE2-CD1 3.8Å; F4-L34 HydrophobicContact CE2-CD2 3.76Å; F4-L34 HydrophobicContact CE2-CG 4.4Å; C31-L34 HydrophobicContact CB-CB 3.89Å; C31-L34 HydrophobicContact CB-CD1 3.46Å; C31-L34 VanDerWaalsContact CB-CD1 3.46Å; C31-L34 HydrophobicContact CB-CG 3.58Å; C31-L34 PolarHBondContact O-N 3.42Å; C31-L34 VanDerWaalsContact SG-CD1 3.6Å; L32-L34 VanDerWaalsContact C-N 3.29Å; L34-T36 PolarHBondContact O-N 3.45Å; L34-T36 VanDerWaalsContact O-N 3.08Å; L34-L45 HydrophobicContact CB-CD2 4.41Å; L34-L45 HydrophobicContact CD1-CB 4.39Å; L34-L45 HydrophobicContact CD1-CD2 4.06Å; L34-F46 CarbonylContact C-O 3.58Å; L34-F46 WeakPolarHBondContact CA-O 3.18Å; L34-F46 WeakPolarHBondContact CB-O 3.46Å; L34-N47 VanDerWaalsContact CD2-CA 3.47Å; L34-N47 HydrophobicContact CD2-CB 3.75Å
35M36.8Very low45Very low99 Ų9961.8 Ų61.849%0.48831%0.31SS..EExtended strand (participates in β ladder)trans-67.5108.3168.2-80.2-170.5-93.200109.4F44 F46M35-F44 VanDerWaalsContact O-O 3.11Å; M35-F46 HydrophobicContact CB-CB 4.31Å; M35-F46 PolarHBondContact N-O 3.13Å; M35-F46 PolarHBondContact O-N 2.85Å
36T41.1Very low44.3Very low73 Ų7357 Ų5745%0.44829%0.289SS..EExtended strand (participates in β ladder)trans-86101.4167.655.30000110L34 F44 L45L34-T36 PolarHBondContact O-N 3.45Å; L34-T36 VanDerWaalsContact O-N 3.08Å; T36-F44 CarbonylContact C-O 3.42Å; T36-F44 VanDerWaalsContact CA-O 3.26Å; T36-F44 WeakPolarHBondContact CA-O 3.38Å; T36-L45 HydrophobicContact CG2-CD2 3.7Å
37I37.1Very low43.1Very low57 Ų5756.8 Ų56.829%0.29229%0.291SS..EExtended strand (participates in β ladder)trans-88114.6169.7-47.2-173.3000107.7I39 F43 F44 F46 L80I37-I39 HydrophobicContact CG2-CD1 3.76Å; I37-I39 HydrophobicContact CG2-CG1 3.65Å; I37-F43 CarbonylContact O-C 3.56Å; I37-F43 VanDerWaalsContact O-CA 3.31Å; I37-F43 WeakPolarHBondContact O-CA 3.11Å; I37-F44 HydrophobicContact CB-CB 4.29Å; I37-F44 HydrophobicContact CB-CD2 4.44Å; I37-F44 PolarHBondContact N-O 2.84Å; I37-F44 WeakPolarHBondContact O-CD2 3.3Å; I37-F44 PolarHBondContact O-N 3.04Å; I37-F46 HydrophobicContact CB-CE2 4.34Å; I37-F46 HydrophobicContact CD1-CD2 3.85Å; I37-F46 HydrophobicContact CD1-CE2 3.58Å; I37-F46 HydrophobicContact CG1-CD2 3.92Å; I37-F46 HydrophobicContact CG1-CE2 3.87Å; I37-L80 HydrophobicContact CD1-CD2 4.03Å
38Q37.7Very low41.9Very low117 Ų11758.7 Ų58.755%0.54731%0.305SS..EExtended strand (participates in β ladder)trans-91131.7168.2179-178.8-20.300108.7G40 S42 F43Q38-G40 PolarHBondContact NE2-O 2.75Å; Q38-G40 VanDerWaalsContact NE2-O 3.12Å; Q38-S42 WeakPolarHBondContact CA-O 3.27Å; Q38-S42 WeakPolarHBondContact CG-O 3.48Å; Q38-F43 HydrophobicContact CB-CD1 3.93Å; Q38-F43 HydrophobicContact CB-CE1 3.66Å; Q38-F43 HydrophobicContact CB-CZ 4.13Å; Q38-F43 HydrophobicContact CG-CD1 4.14Å; Q38-F43 HydrophobicContact CG-CE1 3.59Å; Q38-F43 HydrophobicContact CG-CE2 4.03Å; Q38-F43 HydrophobicContact CG-CZ 3.5Å; Q38-F43 VanDerWaalsContact CG-CZ 3.5Å; Q38-F43 VanDerWaalsContact OE1-CZ 3.3Å
39I32Very low41Very low46 Ų4662.7 Ų62.724%0.23632%0.315CS..EExtended strand (participates in β ladder)trans-140.8119.8172.3-32.6172.9000111I37 K41 S42 F44 F72 L76I37-I39 HydrophobicContact CG2-CD1 3.76Å; I37-I39 HydrophobicContact CG2-CG1 3.65Å; I39-K41 PolarHBondContact O-N 3.14Å; I39-K41 VanDerWaalsContact O-N 3.13Å; I39-S42 PolarHBondContact N-O 3.23Å; I39-S42 WeakPolarHBondContact O-CA 3.43Å; I39-S42 WeakPolarHBondContact O-CB 3.42Å; I39-S42 PolarHBondContact O-N 3.31Å; I39-F44 HydrophobicContact CB-CE2 4.3Å; I39-F44 HydrophobicContact CD1-CD2 4.06Å; I39-F44 HydrophobicContact CD1-CE2 3.77Å; I39-F44 HydrophobicContact CG1-CD2 4.15Å; I39-F44 HydrophobicContact CG1-CE2 3.93Å; I39-F72 HydrophobicContact CB-CE1 4.46Å; I39-F72 HydrophobicContact CB-CE2 4.13Å; I39-F72 HydrophobicContact CB-CZ 3.52Å; I39-F72 HydrophobicContact CD1-CE2 4.37Å; I39-F72 HydrophobicContact CD1-CZ 3.64Å; I39-F72 HydrophobicContact CG1-CZ 4.14Å; I39-F72 HydrophobicContact CG2-CE2 3.34Å; I39-F72 HydrophobicContact CG2-CZ 3.3Å; I39-L76 HydrophobicContact CD1-CD1 3.64Å
40G36.7Very low39.7Very low44 Ų4457 Ų5745%0.45430%0.301SS..THydrogen-bonded Turntrans54.9-117.2-16600000111Q38Q38-G40 PolarHBondContact NE2-O 2.75Å; Q38-G40 VanDerWaalsContact NE2-O 3.12Å
41K36.6Very low38.2Very low136 Ų13660.4 Ų60.459%0.59132%0.323SS*.THydrogen-bonded Turntrans-98-3.3174-63.2178.9-174.1172.40113.6I39 D65I39-K41 PolarHBondContact O-N 3.14Å; I39-K41 VanDerWaalsContact O-N 3.13Å; K41-D65 HydrophobicContact CB-CB 4.27Å; K41-D65 HydrophobicContact CD-CB 3.72Å; K41-D65 WeakPolarHBondContact CD-OD2 3.46Å; K41-D65 HydrophobicContact CG-CB 4.5Å; K41-D65 IonicContact NZ-OD2 2.69Å; K41-D65 PolarHBondContact NZ-OD2 3.02Å
42S36.5Very low36.9Very low1 Ų165.1 Ų65.11%0.00736%0.355CS..EExtended strand (participates in β ladder)trans-76.9156.6175.3-126.20000111.6Q38 I39 F44 V62 A64Q38-S42 WeakPolarHBondContact CA-O 3.27Å; Q38-S42 WeakPolarHBondContact CG-O 3.48Å; I39-S42 PolarHBondContact N-O 3.23Å; I39-S42 WeakPolarHBondContact O-CA 3.43Å; I39-S42 WeakPolarHBondContact O-CB 3.42Å; I39-S42 PolarHBondContact O-N 3.31Å; S42-F44 VanDerWaalsContact OG-CZ 3.28Å; S42-F44 WeakPolarHBondContact OG-CZ 3.4Å; S42-V62 WeakPolarHBondContact CB-O 3.47Å; S42-V62 PolarHBondContact OG-O 3.13Å; S42-A64 WeakPolarHBondContact OG-CA 3.26Å; S42-A64 WeakPolarHBondContact OG-CB 3.33Å; S42-A64 PolarHBondContact OG-N 2.86Å
43F38.4Very low36.1Very low28 Ų2869.9 Ų69.912%0.12336%0.363CS..EExtended strand (participates in β ladder)trans-130.7160.4164.8-66.8-101.4000107.5R24 I37 Q38 V62R24-F43 HydrophobicContact CG-CD1 4.4Å; R24-F43 HydrophobicContact CG-CE1 4.27Å; R24-F43 HydrophobicContact CG-CZ 4.41Å; R24-F43 VanDerWaalsContact NH2-CE2 3.3Å; I37-F43 CarbonylContact O-C 3.56Å; I37-F43 VanDerWaalsContact O-CA 3.31Å; I37-F43 WeakPolarHBondContact O-CA 3.11Å; Q38-F43 HydrophobicContact CB-CD1 3.93Å; Q38-F43 HydrophobicContact CB-CE1 3.66Å; Q38-F43 HydrophobicContact CB-CZ 4.13Å; Q38-F43 HydrophobicContact CG-CD1 4.14Å; Q38-F43 HydrophobicContact CG-CE1 3.59Å; Q38-F43 HydrophobicContact CG-CE2 4.03Å; Q38-F43 HydrophobicContact CG-CZ 3.5Å; Q38-F43 VanDerWaalsContact CG-CZ 3.5Å; Q38-F43 VanDerWaalsContact OE1-CZ 3.3Å; F43-V62 HydrophobicContact CB-CB 3.91Å; F43-V62 HydrophobicContact CB-CG1 3.74Å; F43-V62 HydrophobicContact CD2-CG1 4.33Å; F43-V62 PolarHBondContact N-O 3.12Å; F43-V62 CarbonylContact O-C 3.55Å; F43-V62 VanDerWaalsContact O-C 3.27Å; F43-V62 WeakPolarHBondContact O-CA 3.19Å; F43-V62 WeakPolarHBondContact O-CB 3.31Å; F43-V62 PolarHBondContact O-N 2.69Å
44F42.6Very low35.2Very low1 Ų174.9 Ų74.90%0.00439%0.385CS..EExtended strand (participates in β ladder)trans-144.4131.2176.6-59.3-86.4000106.6M35 T36 I37 I39 S42 F46 L61 L76M35-F44 VanDerWaalsContact O-O 3.11Å; T36-F44 CarbonylContact C-O 3.42Å; T36-F44 VanDerWaalsContact CA-O 3.26Å; T36-F44 WeakPolarHBondContact CA-O 3.38Å; I37-F44 HydrophobicContact CB-CB 4.29Å; I37-F44 HydrophobicContact CB-CD2 4.44Å; I37-F44 PolarHBondContact N-O 2.84Å; I37-F44 WeakPolarHBondContact O-CD2 3.3Å; I37-F44 PolarHBondContact O-N 3.04Å; I39-F44 HydrophobicContact CB-CE2 4.3Å; I39-F44 HydrophobicContact CD1-CD2 4.06Å; I39-F44 HydrophobicContact CD1-CE2 3.77Å; I39-F44 HydrophobicContact CG1-CD2 4.15Å; I39-F44 HydrophobicContact CG1-CE2 3.93Å; S42-F44 VanDerWaalsContact OG-CZ 3.28Å; S42-F44 WeakPolarHBondContact OG-CZ 3.4Å; F44-F46 HydrophobicContact CB-CD2 4.09Å; F44-F46 HydrophobicContact CB-CE2 3.3Å; F44-F46 HydrophobicContact CB-CZ 3.77Å; F44-F46 HydrophobicContact CG-CE2 4.23Å; F44-F46 HydrophobicContact CG-CZ 4.39Å; F44-L61 HydrophobicContact CD1-CD1 3.47Å; F44-L61 VanDerWaalsContact CD1-CD1 3.47Å; F44-L61 HydrophobicContact CD1-CG 3.63Å; F44-L61 HydrophobicContact CE1-CD1 3.67Å; F44-L61 HydrophobicContact CE1-CD2 4.15Å; F44-L61 HydrophobicContact CE1-CG 3.6Å; F44-L76 HydrophobicContact CD1-CD2 4.09Å; F44-L76 HydrophobicContact CD2-CD2 4.4Å; F44-L76 HydrophobicContact CE1-CD2 3.51Å; F44-L76 HydrophobicContact CE2-CD2 3.88Å; F44-L76 HydrophobicContact CZ-CD2 3.41Å; F44-L76 VanDerWaalsContact CZ-CD2 3.41Å
45L43.4Very low34.3Very low7 Ų776.7 Ų76.74%0.03740%0.395CS..EExtended strand (participates in β ladder)trans-108.3109.4-180-69.8154.6000107.3L27 L34 T36 F59 S60L27-L45 HydrophobicContact CB-CD2 4.4Å; L27-L45 HydrophobicContact CD1-CD1 3.84Å; L27-L45 HydrophobicContact CD1-CD2 4.3Å; L27-L45 HydrophobicContact CD2-CD1 3.63Å; L27-L45 HydrophobicContact CD2-CD2 3.83Å; L27-L45 HydrophobicContact CD2-CG 4.39Å; L27-L45 HydrophobicContact CG-CD1 4.37Å; L27-L45 HydrophobicContact CG-CD2 4.41Å; L34-L45 HydrophobicContact CB-CD2 4.41Å; L34-L45 HydrophobicContact CD1-CB 4.39Å; L34-L45 HydrophobicContact CD1-CD2 4.06Å; T36-L45 HydrophobicContact CG2-CD2 3.7Å; L45-F59 CarbonylContact O-C 3.27Å; L45-S60 PolarHBondContact N-O 2.96Å; L45-S60 PolarHBondContact O-N 3.02Å
46F41.5Very low33.7Very low27 Ų2776.5 Ų76.512%0.11840%0.403CS..EExtended strand (participates in β ladder)trans-110136.7173.6-58.5-81.3000109.4L34 M35 I37 F44 L80 H89L34-F46 CarbonylContact C-O 3.58Å; L34-F46 WeakPolarHBondContact CA-O 3.18Å; L34-F46 WeakPolarHBondContact CB-O 3.46Å; M35-F46 HydrophobicContact CB-CB 4.31Å; M35-F46 PolarHBondContact N-O 3.13Å; M35-F46 PolarHBondContact O-N 2.85Å; I37-F46 HydrophobicContact CB-CE2 4.34Å; I37-F46 HydrophobicContact CD1-CD2 3.85Å; I37-F46 HydrophobicContact CD1-CE2 3.58Å; I37-F46 HydrophobicContact CG1-CD2 3.92Å; I37-F46 HydrophobicContact CG1-CE2 3.87Å; F44-F46 HydrophobicContact CB-CD2 4.09Å; F44-F46 HydrophobicContact CB-CE2 3.3Å; F44-F46 HydrophobicContact CB-CZ 3.77Å; F44-F46 HydrophobicContact CG-CE2 4.23Å; F44-F46 HydrophobicContact CG-CZ 4.39Å; F46-L80 HydrophobicContact CD2-CD2 4.5Å; F46-L80 HydrophobicContact CE1-CD1 3.9Å; F46-L80 HydrophobicContact CE1-CD2 4.11Å; F46-L80 HydrophobicContact CE2-CD1 4.42Å; F46-L80 HydrophobicContact CE2-CD2 4.02Å; F46-L80 HydrophobicContact CZ-CD1 3.56Å; F46-L80 HydrophobicContact CZ-CD2 3.83Å; F46-L80 HydrophobicContact CZ-CG 4.34Å; F46-H89 AromaticContact CD1-CE1 3.1Å; F46-H89 WeakPolarHBondContact CD1-CE1 3.48Å; F46-H89 AromaticContact CD1-ND1 3.85Å; F46-H89 AromaticContact CE1-CE1 3.56Å; F46-H89 AromaticContact CG-CE1 4Å
47N39.8Very low32.9Very low34 Ų3474.4 Ų74.418%0.18239%0.391CS..EExtended strand (participates in β ladder)trans-79.3119.4169.4-173.8-9.2000108.8L34 H49 S57L34-N47 VanDerWaalsContact CD2-CA 3.47Å; L34-N47 HydrophobicContact CD2-CB 3.75Å; N47-H49 PolarHBondContact O-N 3.04Å; N47-H49 PolarHBondContact OD1-N 3.17Å; N47-H49 VanDerWaalsContact OD1-N 3.17Å; N47-S57 PolarHBondContact ND2-O 2.8Å
48S31.9Very low32.5Very low53 Ų5372.7 Ų72.737%0.37138%0.384SS..THydrogen-bonded Turntrans-79-0.6-176.651.90000114.3D33D33-S48 PolarHBondContact O-OG 2.97Å; D33-S48 VanDerWaalsContact O-OG 3.04Å
49H32.1Very low32.1Very low135 Ų13569.6 Ų69.663%0.62537%0.369SS*.THydrogen-bonded Turntrans-112.129.7-174.5-64.7-71000113.8N47 D51N47-H49 PolarHBondContact O-N 3.04Å; N47-H49 PolarHBondContact OD1-N 3.17Å; N47-H49 VanDerWaalsContact OD1-N 3.17Å; H49-D51 PolarHBondContact O-N 3.35Å
50C30.8Very low32.3Very low55 Ų5567.7 Ų67.737%0.37236%0.359SS..  trans-90.973.5-180-159.40000111.8C52C50-C52 PolarHBondContact O-N 2.98Å
51D26.3Very low32.2Very low146 Ų14666.5 Ų66.578%0.78134%0.342SS*.  trans-58.4133.9158.8-74.1-39.5000108.6H49 W53 Q54H49-D51 PolarHBondContact O-N 3.35Å; D51-W53 PolarHBondContact O-N 2.92Å; D51-Q54 PolarHBondContact O-N 3.22Å
52C24Very low32Very low102 Ų10260.2 Ų60.269%0.68932%0.316SS*.THydrogen-bonded Turntrans-71.621-153.947.10000117.3C50C50-C52 PolarHBondContact O-N 2.98Å
53W25.4Very low31.8Very low239 Ų23960.7 Ų60.791%0.90532%0.317SS*.THydrogen-bonded Turntrans-131.44.5-175.4-70.270.9000114.5D51D51-W53 PolarHBondContact O-N 2.92Å
54Q24.3Very low31.3Very low158 Ų15860.4 Ų60.474%0.73832%0.32SS*.  trans-13768.1177.5-68.3-171.4-12.600113.1D51 S56D51-Q54 PolarHBondContact O-N 3.22Å; Q54-S56 PolarHBondContact O-N 2.88Å; Q54-S56 PolarHBondContact O-OG 3.39Å
55L25.2Very low30.6Very low53 Ų5363.8 Ų63.828%0.27734%0.339SS..  trans-70.959.2178.5-76.5163.4000113.7I90 F92 E166L55-I90 HydrophobicContact CD1-CD1 3.57Å; L55-I90 HydrophobicContact CD2-CD1 3.94Å; L55-I90 HydrophobicContact CG-CD1 4.43Å; L55-F92 HydrophobicContact CB-CZ 4.34Å; L55-F92 HydrophobicContact CD2-CE2 3.98Å; L55-F92 HydrophobicContact CD2-CZ 3.99Å; L55-E166 WeakPolarHBondContact CB-OE1 3.37Å
56S24.6Very low30.1Very low95 Ų9572.5 Ų72.566%0.66437%0.371SS*.SBendtrans-102.9-9.9-172.261.20000115.1Q54Q54-S56 PolarHBondContact O-N 2.88Å; Q54-S56 PolarHBondContact O-OG 3.39Å
57S24.8Very low29.7Very low28 Ų2879.9 Ų79.920%0.19640%0.403CS..  trans-166.966.6-166.9-83.40000115.8F4 N47F4-S57 VanDerWaalsContact CD1-CB 3.43Å; F4-S57 WeakPolarHBondContact CD1-O 3.48Å; F4-S57 VanDerWaalsContact CE1-C 3.47Å; F4-S57 WeakPolarHBondContact CE1-O 3.38Å; N47-S57 PolarHBondContact ND2-O 2.8Å
58C27.4Very low29.4Very low22 Ų2285.4 Ų85.415%0.14943%0.428CS..  trans-132.9101.5-178.3-68.30000114.7F92C58-F92 HydrophobicContact CB-CD2 4Å; C58-F92 HydrophobicContact CB-CE2 4.15Å; C58-F92 WeakPolarHBondContact O-CB 3.48Å; C58-F92 VanDerWaalsContact O-CD2 3.26Å; C58-F92 WeakPolarHBondContact O-CD2 3.4Å
59F30.8Very low29.4Very low52 Ų5289 Ų8923%0.22844%0.443CS..  trans-136.8151.7175.6-47.1-57.6000109.2F4 M8 L45 F92 D93F4-F59 HydrophobicContact CD1-CD2 4.49Å; F4-F59 HydrophobicContact CE1-CB 4.33Å; F4-F59 AromaticContact CE1-CD2 3.37Å; F4-F59 HydrophobicContact CE1-CD2 3.37Å; F4-F59 AromaticContact CE1-CE2 3.95Å; F4-F59 HydrophobicContact CE1-CE2 3.95Å; F4-F59 HydrophobicContact CE1-CG 4.05Å; F4-F59 HydrophobicContact CZ-CB 3.91Å; F4-F59 AromaticContact CZ-CD2 3.79Å; F4-F59 HydrophobicContact CZ-CD2 3.79Å; F4-F59 HydrophobicContact CZ-CG 4.15Å; M8-F59 HydrophobicContact CE-CB 3.73Å; M8-F59 HydrophobicContact CE-CD2 3.94Å; M8-F59 HydrophobicContact CE-CG 4.28Å; M8-F59 HydrophobicContact CG-CD2 4.18Å; L45-F59 CarbonylContact O-C 3.27Å; F59-F92 HydrophobicContact CD1-CB 3.61Å; F59-F92 HydrophobicContact CE1-CB 3.59Å; F59-D93 HydrophobicContact CB-CB 4.11Å; F59-D93 HydrophobicContact CD1-CB 3.37Å; F59-D93 HydrophobicContact CE1-CB 3.96Å; F59-D93 HydrophobicContact CG-CB 3.94Å
60S34.6Very low29.5Very low5 Ų585 Ų854%0.03544%0.438CS..  cis-153.9160.512.1-48.70000111.6L45 D93 L95L45-S60 PolarHBondContact N-O 2.96Å; L45-S60 PolarHBondContact O-N 3.02Å; S60-D93 CarbonylContact C-O 3.59Å; S60-D93 VanDerWaalsContact CA-O 3.26Å; S60-D93 WeakPolarHBondContact CA-O 3.26Å; S60-D93 WeakPolarHBondContact CB-O 3.5Å; S60-L95 WeakPolarHBondContact OG-CG 3.45Å
61L34.2Very low29.7Very low19 Ų1985.8 Ų85.810%0.09944%0.444CS..EExtended strand (participates in β ladder)trans-72.9147.9161-135.478.8000111.5F44 L91 D93 C94 L114F44-L61 HydrophobicContact CD1-CD1 3.47Å; F44-L61 VanDerWaalsContact CD1-CD1 3.47Å; F44-L61 HydrophobicContact CD1-CG 3.63Å; F44-L61 HydrophobicContact CE1-CD1 3.67Å; F44-L61 HydrophobicContact CE1-CD2 4.15Å; F44-L61 HydrophobicContact CE1-CG 3.6Å; L61-L91 HydrophobicContact CB-CD1 3.8Å; L61-L91 HydrophobicContact CB-CD2 4.45Å; L61-L91 HydrophobicContact CD1-CD1 3.89Å; L61-L91 HydrophobicContact CD1-CD2 3.98Å; L61-L91 HydrophobicContact CD2-CD2 4.29Å; L61-L91 HydrophobicContact CG-CD1 4.42Å; L61-L91 HydrophobicContact CG-CD2 4.47Å; L61-D93 PolarHBondContact N-O 3.19Å; L61-C94 HydrophobicContact CB-CB 4.23Å; L61-C94 WeakPolarHBondContact O-CA 3.45Å; L61-C94 PolarHBondContact O-SG 3.21Å; L61-L114 HydrophobicContact CB-CD1 4.23Å; L61-L114 HydrophobicContact CD2-CD1 3.94Å
62V33.8Very low30Very low5 Ų581.2 Ų81.23%0.0342%0.417CS..EExtended strand (participates in β ladder)trans-131.9112165.7162.10000110.5S42 F43 I96S42-V62 WeakPolarHBondContact CB-O 3.47Å; S42-V62 PolarHBondContact OG-O 3.13Å; F43-V62 HydrophobicContact CB-CB 3.91Å; F43-V62 HydrophobicContact CB-CG1 3.74Å; F43-V62 HydrophobicContact CD2-CG1 4.33Å; F43-V62 PolarHBondContact N-O 3.12Å; F43-V62 CarbonylContact O-C 3.55Å; F43-V62 VanDerWaalsContact O-C 3.27Å; F43-V62 WeakPolarHBondContact O-CA 3.19Å; F43-V62 WeakPolarHBondContact O-CB 3.31Å; F43-V62 PolarHBondContact O-N 2.69Å; V62-I96 WeakPolarHBondContact CA-O 3.26Å; V62-I96 HydrophobicContact CB-CB 4.05Å; V62-I96 HydrophobicContact CG1-CB 3.58Å; V62-I96 HydrophobicContact CG1-CD1 3.88Å; V62-I96 HydrophobicContact CG1-CG1 4.25Å; V62-I96 HydrophobicContact CG1-CG2 3.79Å; V62-I96 HydrophobicContact CG2-CB 3.78Å; V62-I96 HydrophobicContact CG2-CD1 3.96Å; V62-I96 HydrophobicContact CG2-CG1 4.02Å
63Y30.9Very low30.6Very low10 Ų1077.7 Ų77.74%0.03939%0.389CS..  trans-67.5149-166.4177.9-83.1000116.8I96 R98 I117Y63-I96 WeakPolarHBondContact CB-O 3.4Å; Y63-I96 PolarHBondContact N-O 3.42Å; Y63-R98 HydrophobicContact CD1-CB 4.09Å; Y63-R98 HydrophobicContact CD1-CG 3.88Å; Y63-R98 HydrophobicContact CE1-CB 3.94Å; Y63-R98 HydrophobicContact CE1-CG 3.51Å; Y63-R98 HydrophobicContact CE2-CG 4.43Å; Y63-R98 HydrophobicContact CG-CG 4.41Å; Y63-R98 PolarHBondContact OH-NE 2.88Å; Y63-R98 PolarHBondContact OH-NH2 2.9Å; Y63-I117 HydrophobicContact CD2-CD1 3.99Å; Y63-I117 HydrophobicContact CD2-CG1 4.17Å; Y63-I117 HydrophobicContact CD2-CG2 3.68Å; Y63-I117 HydrophobicContact CE2-CG1 4.24Å; Y63-I117 HydrophobicContact CE2-CG2 3.75Å
64A29.1Very low31Very low23 Ų2374.2 Ų74.219%0.1938%0.381CS..  trans-102.7141.3178.100000113.8S42S42-A64 WeakPolarHBondContact OG-CA 3.26Å; S42-A64 WeakPolarHBondContact OG-CB 3.33Å; S42-A64 PolarHBondContact OG-N 2.86Å
65D28.5Very low31.6Very low72 Ų7271.3 Ų71.339%0.38537%0.37SS..  trans-41.3143.4174.9-1717.3000115.7K41 K67K41-D65 HydrophobicContact CB-CB 4.27Å; K41-D65 HydrophobicContact CD-CB 3.72Å; K41-D65 WeakPolarHBondContact CD-OD2 3.46Å; K41-D65 HydrophobicContact CG-CB 4.5Å; K41-D65 IonicContact NZ-OD2 2.69Å; K41-D65 PolarHBondContact NZ-OD2 3.02Å; D65-K67 PolarHBondContact O-N 2.67Å
66R31.6Very low32.1Very low190 Ų19069.3 Ų69.372%0.71736%0.36SS*.THydrogen-bonded Turntrans-71.523.4-163.1-152.8-175.9-169.4179.93.9114.9
67K34.7Very low32.7Very low182 Ų18268.3 Ų68.379%0.79135%0.347SS*.THydrogen-bonded Turntrans-122.55.3-166.4-73-165.4173.3-171.20115.6D65D65-K67 PolarHBondContact O-N 2.67Å
68Q32.3Very low33.1Very low150 Ų15069 Ų6970%0.70135%0.354SS*.SBendtrans-133.3104.4177.4-70.1-173.9-18.900112.5
69N33Very low33.3Very low129 Ų12973.6 Ų73.669%0.6938%0.377SS*.  trans10.1130.6162.1-59.5-11.8000120S71 F72N69-S71 WeakPolarHBondContact CB-OG 3.44Å; N69-S71 PolarHBondContact O-N 2.72Å; N69-F72 WeakPolarHBondContact O-CB 3.24Å; N69-F72 PolarHBondContact O-N 3.27Å
70G32.4Very low33.4Very low50 Ų5072.2 Ų72.252%0.51537%0.372SS..THydrogen-bonded Turntrans-60.9-5.4170.300000116.4F72G70-F72 PolarHBondContact O-N 2.87Å
71S35.5Very low33.1Very low71 Ų7173.8 Ų73.850%0.49739%0.389SS..Hα-helixtrans-62.1-26.316458.20000112.2N69 K74 N75N69-S71 WeakPolarHBondContact CB-OG 3.44Å; N69-S71 PolarHBondContact O-N 2.72Å; S71-K74 PolarHBondContact O-N 2.79Å; S71-N75 PolarHBondContact O-N 3.09Å
72F33.6Very low32.7Very low50 Ų5077 Ų7722%0.21941%0.41CS..Hα-helixtrans-64-42.8-173.8177.8-105.9000113.5I39 N69 G70 N75 L76I39-F72 HydrophobicContact CB-CE1 4.46Å; I39-F72 HydrophobicContact CB-CE2 4.13Å; I39-F72 HydrophobicContact CB-CZ 3.52Å; I39-F72 HydrophobicContact CD1-CE2 4.37Å; I39-F72 HydrophobicContact CD1-CZ 3.64Å; I39-F72 HydrophobicContact CG1-CZ 4.14Å; I39-F72 HydrophobicContact CG2-CE2 3.34Å; I39-F72 HydrophobicContact CG2-CZ 3.3Å; N69-F72 WeakPolarHBondContact O-CB 3.24Å; N69-F72 PolarHBondContact O-N 3.27Å; G70-F72 PolarHBondContact O-N 2.87Å; F72-N75 PolarHBondContact O-N 3.18Å; F72-L76 PolarHBondContact O-N 2.89Å
73Y36.3Very low32.4Very low28 Ų2886.5 Ų86.511%0.1145%0.451CS..Hα-helixtrans-74-26.4180-73.9-89000113.6N75 L76 L77 D121 I123Y73-N75 VanDerWaalsContact C-N 3.28Å; Y73-L76 HydrophobicContact CD1-CD2 4.37Å; Y73-L76 PolarHBondContact O-N 3.19Å; Y73-L77 WeakPolarHBondContact O-CB 3.27Å; Y73-L77 WeakPolarHBondContact O-CG 3.25Å; Y73-L77 PolarHBondContact O-N 2.85Å; Y73-D121 HydrophobicContact CD2-CB 4.26Å; Y73-D121 HydrophobicContact CE2-CB 3.82Å; Y73-D121 WeakPolarHBondContact CE2-OD2 3.44Å; Y73-D121 PolarHBondContact OH-OD2 2.86Å; Y73-I123 HydrophobicContact CD1-CD1 3.43Å; Y73-I123 VanDerWaalsContact CD1-CD1 3.43Å; Y73-I123 HydrophobicContact CD1-CG1 4.48Å; Y73-I123 HydrophobicContact CD2-CD1 3.48Å; Y73-I123 VanDerWaalsContact CD2-CD1 3.48Å; Y73-I123 HydrophobicContact CD2-CG1 4.26Å; Y73-I123 HydrophobicContact CE1-CD1 3.73Å; Y73-I123 HydrophobicContact CE2-CD1 3.76Å; Y73-I123 HydrophobicContact CG-CD1 3.24Å; Y73-I123 HydrophobicContact CG-CG1 3.97Å
74K34.5Very low32.1Very low166 Ų16692 Ų9272%0.72248%0.481SS*.Hα-helixtrans-60.6-41.5167.5-89.1-171.7172.7-174.90110.7S71 A78S71-K74 PolarHBondContact O-N 2.79Å; K74-A78 VanDerWaalsContact O-CB 3.26Å; K74-A78 WeakPolarHBondContact O-CB 3.5Å; K74-A78 PolarHBondContact O-N 2.9Å
75N35.2Very low31.9Very low97 Ų9796.3 Ų96.352%0.51951%0.51SS..Hα-helixtrans-71.1-39176.9-67.610.6000111.8S71 F72 Y73 L77 A78 D79S71-N75 PolarHBondContact O-N 3.09Å; F72-N75 PolarHBondContact O-N 3.18Å; Y73-N75 VanDerWaalsContact C-N 3.28Å; N75-L77 PolarHBondContact O-N 2.92Å; N75-A78 CarbonylContact O-C 3.56Å; N75-A78 PolarHBondContact O-N 2.61Å; N75-D79 WeakPolarHBondContact O-CB 3.41Å; N75-D79 PolarHBondContact O-N 3.24Å
76L36.7Very low31.7Very low11 Ų1199.4 Ų99.46%0.05853%0.526CS..Hα-helixtrans-61.3-43.2174.6177.758000112.3I39 F44 F72 Y73 A78 L80I39-L76 HydrophobicContact CD1-CD1 3.64Å; F44-L76 HydrophobicContact CD1-CD2 4.09Å; F44-L76 HydrophobicContact CD2-CD2 4.4Å; F44-L76 HydrophobicContact CE1-CD2 3.51Å; F44-L76 HydrophobicContact CE2-CD2 3.88Å; F44-L76 HydrophobicContact CZ-CD2 3.41Å; F44-L76 VanDerWaalsContact CZ-CD2 3.41Å; F72-L76 PolarHBondContact O-N 2.89Å; Y73-L76 HydrophobicContact CD1-CD2 4.37Å; Y73-L76 PolarHBondContact O-N 3.19Å; L76-A78 VanDerWaalsContact C-N 3.32Å; L76-L80 HydrophobicContact CD1-CD1 3.73Å; L76-L80 HydrophobicContact CD1-CG 4.07Å; L76-L80 HydrophobicContact CG-CD1 3.91Å; L76-L80 VanDerWaalsContact O-CB 3.27Å; L76-L80 WeakPolarHBondContact O-CB 3.49Å; L76-L80 WeakPolarHBondContact O-CD1 3.18Å; L76-L80 WeakPolarHBondContact O-CG 3.47Å; L76-L80 PolarHBondContact O-N 2.95Å
77L36.2Very low31.5Very low75 Ų7592.9 Ų92.939%0.39351%0.51SS..Hα-helixtrans-70.6-28.8175.7-70166.6000112.5Y73 N75 G81 I123 T125Y73-L77 WeakPolarHBondContact O-CB 3.27Å; Y73-L77 WeakPolarHBondContact O-CG 3.25Å; Y73-L77 PolarHBondContact O-N 2.85Å; N75-L77 PolarHBondContact O-N 2.92Å; L77-G81 PolarHBondContact O-N 3.06Å; L77-I123 HydrophobicContact CD1-CG2 3.62Å; L77-T125 HydrophobicContact CD1-CG2 3.51Å; L77-T125 HydrophobicContact CD2-CG2 4.32Å
78A33.6Very low31.3Very low43 Ų4388.9 Ų88.936%0.35551%0.505SS..Hα-helixtrans-73.5-44.8172.400000112K74 N75 L76 L80 G81 T82K74-A78 VanDerWaalsContact O-CB 3.26Å; K74-A78 WeakPolarHBondContact O-CB 3.5Å; K74-A78 PolarHBondContact O-N 2.9Å; N75-A78 CarbonylContact O-C 3.56Å; N75-A78 PolarHBondContact O-N 2.61Å; L76-A78 VanDerWaalsContact C-N 3.32Å; A78-L80 VanDerWaalsContact C-N 3.31Å; A78-L80 PolarHBondContact O-N 3.46Å; A78-G81 CarbonylContact O-C 3.16Å; A78-G81 WeakPolarHBondContact O-CA 3.26Å; A78-G81 PolarHBondContact O-N 2.8Å; A78-T82 VanDerWaalsContact O-CB 3.29Å; A78-T82 WeakPolarHBondContact O-CB 3.29Å; A78-T82 VanDerWaalsContact O-CG2 3.31Å; A78-T82 WeakPolarHBondContact O-CG2 3.33Å; A78-T82 PolarHBondContact O-N 3.4Å; A78-T82 PolarHBondContact O-OG1 2.76Å
79D31.6Very low31.4Very low117 Ų11786.3 Ų86.363%0.62649%0.492SS*.Hα-helixtrans-69.3-29.5179.1-69.9-20.4000111.8N75N75-D79 WeakPolarHBondContact O-CB 3.41Å; N75-D79 PolarHBondContact O-N 3.24Å
80L33.7Very low31.6Very low23 Ų2384.2 Ų84.212%0.1248%0.481CS..SBendtrans-78-20.2168.1-69.7169.5000112.9I37 F46 L76 A78 S87 H89I37-L80 HydrophobicContact CD1-CD2 4.03Å; F46-L80 HydrophobicContact CD2-CD2 4.5Å; F46-L80 HydrophobicContact CE1-CD1 3.9Å; F46-L80 HydrophobicContact CE1-CD2 4.11Å; F46-L80 HydrophobicContact CE2-CD1 4.42Å; F46-L80 HydrophobicContact CE2-CD2 4.02Å; F46-L80 HydrophobicContact CZ-CD1 3.56Å; F46-L80 HydrophobicContact CZ-CD2 3.83Å; F46-L80 HydrophobicContact CZ-CG 4.34Å; L76-L80 HydrophobicContact CD1-CD1 3.73Å; L76-L80 HydrophobicContact CD1-CG 4.07Å; L76-L80 HydrophobicContact CG-CD1 3.91Å; L76-L80 VanDerWaalsContact O-CB 3.27Å; L76-L80 WeakPolarHBondContact O-CB 3.49Å; L76-L80 WeakPolarHBondContact O-CD1 3.18Å; L76-L80 WeakPolarHBondContact O-CG 3.47Å; L76-L80 PolarHBondContact O-N 2.95Å; A78-L80 VanDerWaalsContact C-N 3.31Å; A78-L80 PolarHBondContact O-N 3.46Å; L80-S87 PolarHBondContact O-OG 2.9Å; L80-H89 PolarHBondContact O-CD2 3.21Å; L80-H89 VanDerWaalsContact O-CD2 3.29Å
81G28.9Very low32Very low39 Ų3984.8 Ų84.840%0.40247%0.471SS..SBendtrans-109.316179.600000114.4L77 A78L77-G81 PolarHBondContact O-N 3.06Å; A78-G81 CarbonylContact O-C 3.16Å; A78-G81 WeakPolarHBondContact O-CA 3.26Å; A78-G81 PolarHBondContact O-N 2.8Å
82T25.6Very low32.4Very low85 Ų8584.5 Ų84.552%0.52146%0.461SS..SBendtrans-140.9106.4175.757.20000107.6A78A78-T82 VanDerWaalsContact O-CB 3.29Å; A78-T82 WeakPolarHBondContact O-CB 3.29Å; A78-T82 VanDerWaalsContact O-CG2 3.31Å; A78-T82 WeakPolarHBondContact O-CG2 3.33Å; A78-T82 PolarHBondContact O-N 3.4Å; A78-T82 PolarHBondContact O-OG1 2.76Å
83K27Very low33.1Very low205 Ų20582.1 Ų82.189%0.89145%0.451SS*.SBend-135.7-2.157-74.4171.8176.81740116.1
84D24.7Very low33.8Very low125 Ų12580.8 Ų80.867%0.66845%0.446SS*.  trans-101.7130.6170.6-69.4-49.5000109.3D86 S87D84-D86 PolarHBondContact O-N 3.29Å; D84-D86 VanDerWaalsContact O-N 3.11Å; D84-S87 PolarHBondContact O-OG 2.83Å
85S24.4Very low34.5Very low115 Ų11573.3 Ų73.380%0.80441%0.413SS*.THydrogen-bonded Turntrans-69.4-5.7-174.549.20000114.8
86D25.1Very low35Very low136 Ų13669.2 Ų69.273%0.72739%0.391SS*.THydrogen-bonded Turntrans-115-6.5-162.4-57.1-11.1000113D84 S88D84-D86 PolarHBondContact O-N 3.29Å; D84-D86 VanDerWaalsContact O-N 3.11Å; D86-S88 PolarHBondContact O-N 3Å; D86-S88 VanDerWaalsContact O-N 3.08Å
87S27.4Very low35.6Very low54 Ų5469.5 Ų69.538%0.37839%0.393SS..  trans-81.486.8-178.955.50000112.8L80 D84 H89L80-S87 PolarHBondContact O-OG 2.9Å; D84-S87 PolarHBondContact O-OG 2.83Å; S87-H89 PolarHBondContact O-CD2 3.42Å; S87-H89 VanDerWaalsContact O-CD2 3.25Å; S87-H89 PolarHBondContact O-N 3.45Å
88S28.9Very low36Very low98 Ų9870.3 Ų70.369%0.68539%0.391SS*.  trans-81.3110.7172.150.60000112D86 I90D86-S88 PolarHBondContact O-N 3Å; D86-S88 VanDerWaalsContact O-N 3.08Å; S88-I90 PolarHBondContact O-N 3.12Å
89H35.8Very low36.3Very low95 Ų9570.4 Ų70.444%0.4440%0.396SS..  trans-8698180-69.2-89.5000111.8F46 L80 S87F46-H89 AromaticContact CD1-CE1 3.1Å; F46-H89 WeakPolarHBondContact CD1-CE1 3.48Å; F46-H89 AromaticContact CD1-ND1 3.85Å; F46-H89 AromaticContact CE1-CE1 3.56Å; F46-H89 AromaticContact CG-CE1 4Å; L80-H89 PolarHBondContact O-CD2 3.21Å; L80-H89 VanDerWaalsContact O-CD2 3.29Å; S87-H89 PolarHBondContact O-CD2 3.42Å; S87-H89 VanDerWaalsContact O-CD2 3.25Å; S87-H89 PolarHBondContact O-N 3.45Å
90I35.6Very low36.9Very low86 Ų8667.6 Ų67.644%0.44138%0.383SS..  trans-84129.2176.4-56.6169.7000110.3L55 S88 F92L55-I90 HydrophobicContact CD1-CD1 3.57Å; L55-I90 HydrophobicContact CD2-CD1 3.94Å; L55-I90 HydrophobicContact CG-CD1 4.43Å; S88-I90 PolarHBondContact O-N 3.12Å; I90-F92 HydrophobicContact CB-CD2 4.28Å; I90-F92 HydrophobicContact CB-CE2 3.62Å; I90-F92 HydrophobicContact CB-CZ 3.99Å; I90-F92 HydrophobicContact CG2-CD1 4.37Å; I90-F92 HydrophobicContact CG2-CD2 3.86Å; I90-F92 HydrophobicContact CG2-CE1 3.92Å; I90-F92 HydrophobicContact CG2-CE2 3.36Å; I90-F92 HydrophobicContact CG2-CG 4.35Å; I90-F92 HydrophobicContact CG2-CZ 3.4Å; I90-F92 VanDerWaalsContact CG2-CZ 3.4Å
91L41.5Very low37.6Very low62 Ų6266.7 Ų66.733%0.32538%0.378SS..  trans-102.2105.5-176.3174.158.7000111.2L61 D93 L114 I118L61-L91 HydrophobicContact CB-CD1 3.8Å; L61-L91 HydrophobicContact CB-CD2 4.45Å; L61-L91 HydrophobicContact CD1-CD1 3.89Å; L61-L91 HydrophobicContact CD1-CD2 3.98Å; L61-L91 HydrophobicContact CD2-CD2 4.29Å; L61-L91 HydrophobicContact CG-CD1 4.42Å; L61-L91 HydrophobicContact CG-CD2 4.47Å; L91-D93 WeakPolarHBondContact CD1-O 3.28Å; L91-L114 HydrophobicContact CD1-CD2 4.06Å; L91-L114 HydrophobicContact CD2-CD1 4.02Å; L91-L114 HydrophobicContact CD2-CD2 3.73Å; L91-L114 HydrophobicContact CD2-CG 3.95Å; L91-L114 HydrophobicContact CG-CD2 3.7Å; L91-L114 HydrophobicContact CG-CG 4.47Å; L91-I118 HydrophobicContact CD2-CD1 3.84Å
92F43.8Very low38.7Very low64 Ų6467.6 Ų67.628%0.28137%0.371SS..  trans-99.7-13.7-175.3-62.3-92.4000115.9L55 C58 F59 I90 L111L55-F92 HydrophobicContact CB-CZ 4.34Å; L55-F92 HydrophobicContact CD2-CE2 3.98Å; L55-F92 HydrophobicContact CD2-CZ 3.99Å; C58-F92 HydrophobicContact CB-CD2 4Å; C58-F92 HydrophobicContact CB-CE2 4.15Å; C58-F92 WeakPolarHBondContact O-CB 3.48Å; C58-F92 VanDerWaalsContact O-CD2 3.26Å; C58-F92 WeakPolarHBondContact O-CD2 3.4Å; F59-F92 HydrophobicContact CD1-CB 3.61Å; F59-F92 HydrophobicContact CE1-CB 3.59Å; I90-F92 HydrophobicContact CB-CD2 4.28Å; I90-F92 HydrophobicContact CB-CE2 3.62Å; I90-F92 HydrophobicContact CB-CZ 3.99Å; I90-F92 HydrophobicContact CG2-CD1 4.37Å; I90-F92 HydrophobicContact CG2-CD2 3.86Å; I90-F92 HydrophobicContact CG2-CE1 3.92Å; I90-F92 HydrophobicContact CG2-CE2 3.36Å; I90-F92 HydrophobicContact CG2-CG 4.35Å; I90-F92 HydrophobicContact CG2-CZ 3.4Å; I90-F92 VanDerWaalsContact CG2-CZ 3.4Å; F92-L111 WeakPolarHBondContact O-CD2 3.09Å
93D48.8Very low39.6Very low1 Ų163.6 Ų63.61%0.00535%0.346CS..  trans-164.3164-179.5-167.319.8000113.3F59 S60 L61 L91 R110F59-D93 HydrophobicContact CB-CB 4.11Å; F59-D93 HydrophobicContact CD1-CB 3.37Å; F59-D93 HydrophobicContact CE1-CB 3.96Å; F59-D93 HydrophobicContact CG-CB 3.94Å; S60-D93 CarbonylContact C-O 3.59Å; S60-D93 VanDerWaalsContact CA-O 3.26Å; S60-D93 WeakPolarHBondContact CA-O 3.26Å; S60-D93 WeakPolarHBondContact CB-O 3.5Å; L61-D93 PolarHBondContact N-O 3.19Å; L91-D93 WeakPolarHBondContact CD1-O 3.28Å; D93-R110 WeakPolarHBondContact OD1-CB 3.2Å; D93-R110 IonicContact OD1-CZ 3.32Å; D93-R110 IonicContact OD1-NE 3.27Å; D93-R110 PolarHBondContact OD1-NE 2.96Å; D93-R110 IonicContact OD1-NH2 2.67Å; D93-R110 IonicContact OD2-CZ 2.69Å; D93-R110 IonicContact OD2-NE 3.52Å; D93-R110 PolarHBondContact OD2-NE 2.9Å; D93-R110 IonicContact OD2-NH2 3.58Å; D93-R110 PolarHBondContact OD2-NH2 3.25Å
94C50.1Low40.5Very low0 Ų057.1 Ų57.10%033%0.327CS..EExtended strand (participates in β ladder)trans-142108.8175.4-175.80000111.4L61 I96 I97 R110 L114L61-C94 HydrophobicContact CB-CB 4.23Å; L61-C94 WeakPolarHBondContact O-CA 3.45Å; L61-C94 PolarHBondContact O-SG 3.21Å; C94-I96 PolarHBondContact SG-O 3.41Å; C94-I96 VanDerWaalsContact SG-O 3.39Å; C94-I97 HydrophobicContact CB-CD1 4.38Å; C94-I97 HydrophobicContact CB-CG1 4.31Å; C94-I97 WeakPolarHBondContact SG-CG1 3.43Å; C94-R110 WeakPolarHBondContact O-CD 3.44Å; C94-L114 HydrophobicContact CB-CB 4.26Å; C94-L114 HydrophobicContact CB-CD1 3.55Å; C94-L114 HydrophobicContact CB-CD2 3.71Å; C94-L114 HydrophobicContact CB-CG 4.05Å
95L49.1Very low41.5Very low8 Ų852.7 Ų52.74%0.04230%0.304CS..EExtended strand (participates in β ladder)trans-87.9-17.9-177-69.2176.4000114.1M8 L11 S60 L101 K102M8-L95 HydrophobicContact CE-CD1 3.48Å; M8-L95 VanDerWaalsContact CE-CD1 3.48Å; M8-L95 HydrophobicContact CE-CG 4.43Å; L11-L95 HydrophobicContact CB-CD1 4.16Å; L11-L95 HydrophobicContact CD1-CD1 3.41Å; L11-L95 VanDerWaalsContact CD1-CD1 3.41Å; L11-L95 HydrophobicContact CG-CD1 4.25Å; S60-L95 WeakPolarHBondContact OG-CG 3.45Å; L95-L101 WeakPolarHBondContact O-CD1 3.43Å; L95-K102 PolarHBondContact O-N 3.22Å
96I46.3Very low42.6Very low11 Ų1150.8 Ų50.86%0.05628%0.283CS..EExtended strand (participates in β ladder)trans-133.6117.2177.3-61.3170.5000108.9V62 Y63 C94 T100 L101V62-I96 WeakPolarHBondContact CA-O 3.26Å; V62-I96 HydrophobicContact CB-CB 4.05Å; V62-I96 HydrophobicContact CG1-CB 3.58Å; V62-I96 HydrophobicContact CG1-CD1 3.88Å; V62-I96 HydrophobicContact CG1-CG1 4.25Å; V62-I96 HydrophobicContact CG1-CG2 3.79Å; V62-I96 HydrophobicContact CG2-CB 3.78Å; V62-I96 HydrophobicContact CG2-CD1 3.96Å; V62-I96 HydrophobicContact CG2-CG1 4.02Å; Y63-I96 WeakPolarHBondContact CB-O 3.4Å; Y63-I96 PolarHBondContact N-O 3.42Å; C94-I96 PolarHBondContact SG-O 3.41Å; C94-I96 VanDerWaalsContact SG-O 3.39Å; I96-T100 CarbonylContact C-O 3.59Å; I96-T100 WeakPolarHBondContact CA-O 3.1Å; I96-L101 HydrophobicContact CD1-CD1 4.09Å; I96-L101 HydrophobicContact CG1-CD1 3.54Å
97I49Very low43.7Very low17 Ų1746.9 Ų46.99%0.08726%0.264CS..EExtended strand (participates in β ladder)trans-120.8126.7-176.7-69.1178.9000108.2C94 G99 T100 K102 A113 I117C94-I97 HydrophobicContact CB-CD1 4.38Å; C94-I97 HydrophobicContact CB-CG1 4.31Å; C94-I97 WeakPolarHBondContact SG-CG1 3.43Å; I97-G99 PolarHBondContact O-N 2.89Å; I97-T100 PolarHBondContact N-O 3.19Å; I97-T100 WeakPolarHBondContact O-CA 3.37Å; I97-T100 VanDerWaalsContact O-CB 3.24Å; I97-T100 WeakPolarHBondContact O-CB 3.35Å; I97-T100 PolarHBondContact O-N 3.42Å; I97-K102 HydrophobicContact CB-CG 4.1Å; I97-K102 HydrophobicContact CD1-CG 4.32Å; I97-K102 HydrophobicContact CG1-CG 4.32Å; I97-A113 HydrophobicContact CD1-CB 3.49Å; I97-A113 VanDerWaalsContact CD1-CB 3.49Å; I97-I117 HydrophobicContact CB-CD1 4.28Å; I97-I117 HydrophobicContact CD1-CD1 4.12Å; I97-I117 HydrophobicContact CG1-CD1 3.9Å; I97-I117 HydrophobicContact CG2-CD1 3.65Å
98R44.4Very low44.5Very low93 Ų9344.6 Ų44.635%0.35125%0.248SC..THydrogen-bonded Turntrans52.737.1-179-50.6-146.6151.51350.8113.3Y63 T100 E120Y63-R98 HydrophobicContact CD1-CB 4.09Å; Y63-R98 HydrophobicContact CD1-CG 3.88Å; Y63-R98 HydrophobicContact CE1-CB 3.94Å; Y63-R98 HydrophobicContact CE1-CG 3.51Å; Y63-R98 HydrophobicContact CE2-CG 4.43Å; Y63-R98 HydrophobicContact CG-CG 4.41Å; Y63-R98 PolarHBondContact OH-NE 2.88Å; Y63-R98 PolarHBondContact OH-NH2 2.9Å; R98-T100 PolarHBondContact O-N 3.5Å; R98-E120 IonicContact CZ-OE2 2.79Å; R98-E120 VanDerWaalsContact CZ-OE2 3.3Å; R98-E120 IonicContact NH1-OE2 3.74Å; R98-E120 PolarHBondContact NH1-OE2 3.42Å; R98-E120 IonicContact NH2-OE2 3.3Å; R98-E120 PolarHBondContact NH2-OE2 2.83Å
99G40.8Very low45.3Very low45 Ų4544.3 Ų44.346%0.46424%0.236SC..THydrogen-bonded Turntrans73-6.6-174.700000115T20 I97T20-G99 WeakPolarHBondContact CG2-O 3.47Å; I97-G99 PolarHBondContact O-N 2.89Å
100T44.1Very low46.1Very low57 Ų5740.5 Ų40.535%0.3522%0.218SC..EExtended strand (participates in β ladder)trans-86126.4177-48.50000110.3I96 I97 R98 K102I96-T100 CarbonylContact C-O 3.59Å; I96-T100 WeakPolarHBondContact CA-O 3.1Å; I97-T100 PolarHBondContact N-O 3.19Å; I97-T100 WeakPolarHBondContact O-CA 3.37Å; I97-T100 VanDerWaalsContact O-CB 3.24Å; I97-T100 WeakPolarHBondContact O-CB 3.35Å; I97-T100 PolarHBondContact O-N 3.42Å; R98-T100 PolarHBondContact O-N 3.5Å; T100-K102 HydrophobicContact CG2-CD 4.47Å; T100-K102 PolarHBondContact O-N 3.32Å
101L48.4Very low46.8Very low5 Ų538.6 Ų38.63%0.02621%0.208CC..EExtended strand (participates in β ladder)trans-66.4131.7169.6-171.675.4000110.2F14 D15 V23 L95 I96F14-L101 HydrophobicContact CB-CD2 3.34Å; F14-L101 VanDerWaalsContact O-CD2 3.27Å; F14-L101 WeakPolarHBondContact O-CD2 3.47Å; D15-L101 VanDerWaalsContact O-CD2 3.29Å; D15-L101 WeakPolarHBondContact O-CD2 3.44Å; V23-L101 HydrophobicContact CG1-CD1 4.23Å; V23-L101 HydrophobicContact CG2-CD1 4.39Å; V23-L101 HydrophobicContact CG2-CD2 4.32Å; L95-L101 WeakPolarHBondContact O-CD1 3.43Å; I96-L101 HydrophobicContact CD1-CD1 4.09Å; I96-L101 HydrophobicContact CG1-CD1 3.54Å
102K51.5Low47.1Very low58 Ų5837 Ų3725%0.25220%0.201SC..  trans-11812.3177.2-61.9-64.7176.4-1750111.9L95 I97 T100 S104 V105 R110L95-K102 PolarHBondContact O-N 3.22Å; I97-K102 HydrophobicContact CB-CG 4.1Å; I97-K102 HydrophobicContact CD1-CG 4.32Å; I97-K102 HydrophobicContact CG1-CG 4.32Å; T100-K102 HydrophobicContact CG2-CD 4.47Å; T100-K102 PolarHBondContact O-N 3.32Å; K102-S104 PolarHBondContact O-N 3.01Å; K102-S104 VanDerWaalsContact O-N 3.14Å; K102-V105 HydrophobicContact CB-CB 4.22Å; K102-V105 HydrophobicContact CB-CG2 4.25Å; K102-V105 HydrophobicContact CD-CG2 3.82Å; K102-V105 WeakPolarHBondContact O-CA 3.47Å; K102-V105 VanDerWaalsContact O-CB 3.25Å; K102-V105 WeakPolarHBondContact O-CB 3.32Å; K102-V105 PolarHBondContact O-N 3.03Å; K102-R110 HydrophobicContact CB-CG 4.29Å; K102-R110 VanDerWaalsContact O-CD 3.27Å; K102-R110 WeakPolarHBondContact O-CD 3.4Å
103G44.8Very low47.3Very low0 Ų035.6 Ų35.60%020%0.201CC..THydrogen-bonded Turntrans-53.2-35.7179.700000114.6H12 V105 R110H12-G103 PolarHBondContact CE1-O 2.75Å; H12-G103 VanDerWaalsContact CE1-O 3.31Å; H12-G103 PolarHBondContact ND1-O 3.2Å; G103-V105 VanDerWaalsContact C-N 3.35Å; G103-R110 PolarHBondContact O-NH1 2.86Å
104S45.8Very low47.4Very low70 Ų7035.7 Ų35.749%0.4920%0.201SC..THydrogen-bonded Turntrans-78.7-9.817556.30000115.5K102K102-S104 PolarHBondContact O-N 3.01Å; K102-S104 VanDerWaalsContact O-N 3.14Å
105V45.6Very low47.2Very low31 Ų3139.6 Ų39.619%0.18822%0.216CC..SBendtrans-85.2144179.9175.30000109.5K102 G103 E109 R110K102-V105 HydrophobicContact CB-CB 4.22Å; K102-V105 HydrophobicContact CB-CG2 4.25Å; K102-V105 HydrophobicContact CD-CG2 3.82Å; K102-V105 WeakPolarHBondContact O-CA 3.47Å; K102-V105 VanDerWaalsContact O-CB 3.25Å; K102-V105 WeakPolarHBondContact O-CB 3.32Å; K102-V105 PolarHBondContact O-N 3.03Å; G103-V105 VanDerWaalsContact C-N 3.35Å; V105-E109 HydrophobicContact CG1-CB 3.68Å; V105-E109 VanDerWaalsContact CG1-OE2 3.26Å; V105-E109 WeakPolarHBondContact CG1-OE2 3.2Å; V105-R110 HydrophobicContact CB-CG 4.26Å; V105-R110 HydrophobicContact CG1-CG 4.15Å; V105-R110 PolarHBondContact O-NH1 3.29Å
106H48.7Very low47Very low76 Ų7645.6 Ų45.635%0.35224%0.239SC..  trans-65141.7-173.5-171.8-95.2000111.3A108 E109 R110 C177H106-A108 PolarHBondContact ND1-N 3.36Å; H106-A108 PolarHBondContact O-N 3.3Å; H106-A108 VanDerWaalsContact O-N 3.09Å; H106-E109 HydrophobicContact CB-CG 4.33Å; H106-E109 PolarHBondContact N-OE2 3Å; H106-E109 WeakPolarHBondContact O-CA 3.48Å; H106-E109 WeakPolarHBondContact O-CB 3.49Å; H106-E109 PolarHBondContact O-N 3.34Å; H106-R110 PolarHBondContact O-N 3.4Å; H106-R110 VanDerWaalsContact O-N 3.12Å; H106-C177 VanDerWaalsContact CE1-SG 3.58Å
107V47Very low47Very low54 Ų5445.2 Ų45.233%0.32724%0.237SC..Hα-helixtrans-53.6-38-173.464.90000113.3E109 R110 L111V107-E109 VanDerWaalsContact C-N 3.35Å; V107-E109 PolarHBondContact O-N 3.24Å; V107-R110 WeakPolarHBondContact O-CB 3.36Å; V107-R110 PolarHBondContact O-N 2.94Å; V107-L111 HydrophobicContact CG2-CD1 4.28Å; V107-L111 WeakPolarHBondContact O-CG 3.36Å; V107-L111 PolarHBondContact O-N 3.32Å
108A43.8Very low46.8Very low5 Ų545.6 Ų45.64%0.04124%0.239CC..Hα-helixtrans-61.7-38.3175.400000113.3H106 L111 V112 L144H106-A108 PolarHBondContact ND1-N 3.36Å; H106-A108 PolarHBondContact O-N 3.3Å; H106-A108 VanDerWaalsContact O-N 3.09Å; A108-L111 PolarHBondContact O-N 3.48Å; A108-V112 WeakPolarHBondContact O-CG2 3.39Å; A108-V112 PolarHBondContact O-N 3.45Å; A108-L144 HydrophobicContact CB-CD2 3.37Å; A108-L144 HydrophobicContact CB-CG 4.16Å
109E46Very low46.5Very low93 Ų9344.9 Ų44.944%0.43525%0.249SC..Hα-helixtrans-72-34.1177.2-59.6173.9134.600111V105 H106 V107 V112 A113V105-E109 HydrophobicContact CG1-CB 3.68Å; V105-E109 VanDerWaalsContact CG1-OE2 3.26Å; V105-E109 WeakPolarHBondContact CG1-OE2 3.2Å; H106-E109 HydrophobicContact CB-CG 4.33Å; H106-E109 PolarHBondContact N-OE2 3Å; H106-E109 WeakPolarHBondContact O-CA 3.48Å; H106-E109 WeakPolarHBondContact O-CB 3.49Å; H106-E109 PolarHBondContact O-N 3.34Å; V107-E109 VanDerWaalsContact C-N 3.35Å; V107-E109 PolarHBondContact O-N 3.24Å; E109-V112 PolarHBondContact O-N 3.44Å; E109-A113 WeakPolarHBondContact O-CB 3.39Å; E109-A113 PolarHBondContact O-N 3.29Å
110R52.8Low46.4Very low15 Ų1546.6 Ų46.66%0.05724%0.244CC..Hα-helixtrans-64.2-44.6172.4-56.6-168.8-57.6-12313.2111.1D93 C94 K102 G103 V105 H106 V107 A113 L114D93-R110 WeakPolarHBondContact OD1-CB 3.2Å; D93-R110 IonicContact OD1-CZ 3.32Å; D93-R110 IonicContact OD1-NE 3.27Å; D93-R110 PolarHBondContact OD1-NE 2.96Å; D93-R110 IonicContact OD1-NH2 2.67Å; D93-R110 IonicContact OD2-CZ 2.69Å; D93-R110 IonicContact OD2-NE 3.52Å; D93-R110 PolarHBondContact OD2-NE 2.9Å; D93-R110 IonicContact OD2-NH2 3.58Å; D93-R110 PolarHBondContact OD2-NH2 3.25Å; C94-R110 WeakPolarHBondContact O-CD 3.44Å; K102-R110 HydrophobicContact CB-CG 4.29Å; K102-R110 VanDerWaalsContact O-CD 3.27Å; K102-R110 WeakPolarHBondContact O-CD 3.4Å; G103-R110 PolarHBondContact O-NH1 2.86Å; V105-R110 HydrophobicContact CB-CG 4.26Å; V105-R110 HydrophobicContact CG1-CG 4.15Å; V105-R110 PolarHBondContact O-NH1 3.29Å; H106-R110 PolarHBondContact O-N 3.4Å; H106-R110 VanDerWaalsContact O-N 3.12Å; V107-R110 WeakPolarHBondContact O-CB 3.36Å; V107-R110 PolarHBondContact O-N 2.94Å; R110-A113 PolarHBondContact O-N 2.79Å; R110-L114 VanDerWaalsContact O-CB 3.25Å; R110-L114 WeakPolarHBondContact O-CB 3.1Å; R110-L114 PolarHBondContact O-N 3.18Å
111L50.9Low46.2Very low45 Ų4545.9 Ų45.924%0.23624%0.239CC..Hα-helixtrans-60.6-41.3174-77.7167.7000112.9F92 V107 A108 L114 R115F92-L111 WeakPolarHBondContact O-CD2 3.09Å; V107-L111 HydrophobicContact CG2-CD1 4.28Å; V107-L111 WeakPolarHBondContact O-CG 3.36Å; V107-L111 PolarHBondContact O-N 3.32Å; A108-L111 PolarHBondContact O-N 3.48Å; L111-L114 WeakPolarHBondContact O-CB 3.4Å; L111-L114 PolarHBondContact O-N 3.27Å; L111-R115 PolarHBondContact O-N 2.99Å
112V47.7Very low45.3Very low29 Ų2948.8 Ų48.818%0.17627%0.27CS..Hα-helixtrans-62.2-47.5173.6170.50000111.3A108 E109 L114 R115 Y116 W138 P143 V147A108-V112 WeakPolarHBondContact O-CG2 3.39Å; A108-V112 PolarHBondContact O-N 3.45Å; E109-V112 PolarHBondContact O-N 3.44Å; V112-L114 VanDerWaalsContact C-N 3.28Å; V112-L114 PolarHBondContact O-N 2.68Å; V112-R115 PolarHBondContact O-N 3.48Å; V112-Y116 PolarHBondContact O-N 3.36Å; V112-Y116 VanDerWaalsContact O-N 3.07Å; V112-W138 HydrophobicContact CG1-CH2 3.93Å; V112-W138 HydrophobicContact CG1-CZ3 3.8Å; V112-P143 HydrophobicContact CG1-CB 4.45Å; V112-P143 HydrophobicContact CG2-CB 4.22Å; V112-V147 HydrophobicContact CG2-CG2 3.39Å
113A48.1Very low44.3Very low34 Ų3447 Ų4728%0.28126%0.263SS..Hα-helixtrans-65.3-33.7178.400000112.1I97 E109 R110 Y116 I117I97-A113 HydrophobicContact CD1-CB 3.49Å; I97-A113 VanDerWaalsContact CD1-CB 3.49Å; E109-A113 WeakPolarHBondContact O-CB 3.39Å; E109-A113 PolarHBondContact O-N 3.29Å; R110-A113 PolarHBondContact O-N 2.79Å; A113-Y116 WeakPolarHBondContact O-CB 3.12Å; A113-Y116 PolarHBondContact O-N 2.9Å; A113-I117 WeakPolarHBondContact O-CD1 3.37Å; A113-I117 VanDerWaalsContact O-CG1 3.29Å; A113-I117 WeakPolarHBondContact O-CG1 3.4Å; A113-I117 PolarHBondContact O-N 3.19Å
114L51Low43.5Very low4 Ų451.9 Ų51.92%0.02130%0.297CS..Hα-helixtrans-65.9-45.2175.1-16753.2000112L61 L91 C94 R110 L111 V112 Y116 I117 I118L61-L114 HydrophobicContact CB-CD1 4.23Å; L61-L114 HydrophobicContact CD2-CD1 3.94Å; L91-L114 HydrophobicContact CD1-CD2 4.06Å; L91-L114 HydrophobicContact CD2-CD1 4.02Å; L91-L114 HydrophobicContact CD2-CD2 3.73Å; L91-L114 HydrophobicContact CD2-CG 3.95Å; L91-L114 HydrophobicContact CG-CD2 3.7Å; L91-L114 HydrophobicContact CG-CG 4.47Å; C94-L114 HydrophobicContact CB-CB 4.26Å; C94-L114 HydrophobicContact CB-CD1 3.55Å; C94-L114 HydrophobicContact CB-CD2 3.71Å; C94-L114 HydrophobicContact CB-CG 4.05Å; R110-L114 VanDerWaalsContact O-CB 3.25Å; R110-L114 WeakPolarHBondContact O-CB 3.1Å; R110-L114 PolarHBondContact O-N 3.18Å; L111-L114 WeakPolarHBondContact O-CB 3.4Å; L111-L114 PolarHBondContact O-N 3.27Å; V112-L114 VanDerWaalsContact C-N 3.28Å; V112-L114 PolarHBondContact O-N 2.68Å; L114-Y116 VanDerWaalsContact C-N 3.27Å; L114-Y116 PolarHBondContact O-N 3.47Å; L114-I117 PolarHBondContact O-N 2.77Å; L114-I118 HydrophobicContact CD1-CD1 4.26Å; L114-I118 HydrophobicContact CG-CD1 3.98Å; L114-I118 WeakPolarHBondContact O-CB 3.18Å; L114-I118 WeakPolarHBondContact O-CD1 3.22Å; L114-I118 VanDerWaalsContact O-CG1 3.22Å; L114-I118 WeakPolarHBondContact O-CG1 3.45Å; L114-I118 PolarHBondContact O-N 2.96Å
115R46.2Very low42.7Very low81 Ų8153 Ų5331%0.30630%0.301SS..Hα-helixtrans-56.8-41.6171.3-175.9-174.8-179.5-160.75.8111.6L111 V112 I118 S119L111-R115 PolarHBondContact O-N 2.99Å; V112-R115 PolarHBondContact O-N 3.48Å; R115-I118 PolarHBondContact O-N 3.18Å; R115-S119 WeakPolarHBondContact O-CB 3.27Å; R115-S119 PolarHBondContact O-N 3.35Å; R115-S119 PolarHBondContact O-OG 3.45Å
116Y44.9Very low41.9Very low134 Ų13454.5 Ų54.553%0.52531%0.306SS..Hα-helixtrans-63.9-48.1178.7-170.7-109000112V112 A113 L114 I118 S119 E120V112-Y116 PolarHBondContact O-N 3.36Å; V112-Y116 VanDerWaalsContact O-N 3.07Å; A113-Y116 WeakPolarHBondContact O-CB 3.12Å; A113-Y116 PolarHBondContact O-N 2.9Å; L114-Y116 VanDerWaalsContact C-N 3.27Å; L114-Y116 PolarHBondContact O-N 3.47Å; Y116-I118 PolarHBondContact O-N 3.07Å; Y116-S119 WeakPolarHBondContact CA-OG 3.41Å; Y116-S119 CarbonylContact O-C 3.33Å; Y116-S119 PolarHBondContact O-N 3.32Å; Y116-S119 PolarHBondContact O-OG 3.31Å; Y116-E120 HydrophobicContact CD1-CG 4.08Å; Y116-E120 HydrophobicContact CE1-CG 3.7Å; Y116-E120 WeakPolarHBondContact CE1-OE2 3.49Å; Y116-E120 HydrophobicContact CE2-CG 4.18Å; Y116-E120 HydrophobicContact CG-CG 4.5Å; Y116-E120 PolarHBondContact O-N 3.02Å; Y116-E120 PolarHBondContact OH-OE1 2.95Å
117I46.4Very low41.1Very low3 Ų355.5 Ų55.52%0.01532%0.32CS..Hα-helixtrans-53.6-53.1174-69.8161.2000111Y63 I97 A113 L114 S119 E120 D121Y63-I117 HydrophobicContact CD2-CD1 3.99Å; Y63-I117 HydrophobicContact CD2-CG1 4.17Å; Y63-I117 HydrophobicContact CD2-CG2 3.68Å; Y63-I117 HydrophobicContact CE2-CG1 4.24Å; Y63-I117 HydrophobicContact CE2-CG2 3.75Å; I97-I117 HydrophobicContact CB-CD1 4.28Å; I97-I117 HydrophobicContact CD1-CD1 4.12Å; I97-I117 HydrophobicContact CG1-CD1 3.9Å; I97-I117 HydrophobicContact CG2-CD1 3.65Å; A113-I117 WeakPolarHBondContact O-CD1 3.37Å; A113-I117 VanDerWaalsContact O-CG1 3.29Å; A113-I117 WeakPolarHBondContact O-CG1 3.4Å; A113-I117 PolarHBondContact O-N 3.19Å; L114-I117 PolarHBondContact O-N 2.77Å; I117-S119 PolarHBondContact O-N 2.81Å; I117-E120 PolarHBondContact O-N 2.79Å; I117-D121 WeakPolarHBondContact O-CB 3.21Å; I117-D121 PolarHBondContact O-N 3.17Å
118I43.4Very low40.3Very low25 Ų2558.2 Ų58.213%0.12834%0.339CS..Hα-helixtrans-59.7-36.2-178.5-70.3169.1000110.9L91 L114 R115 Y116 I123L91-I118 HydrophobicContact CD2-CD1 3.84Å; L114-I118 HydrophobicContact CD1-CD1 4.26Å; L114-I118 HydrophobicContact CG-CD1 3.98Å; L114-I118 WeakPolarHBondContact O-CB 3.18Å; L114-I118 WeakPolarHBondContact O-CD1 3.22Å; L114-I118 VanDerWaalsContact O-CG1 3.22Å; L114-I118 WeakPolarHBondContact O-CG1 3.45Å; L114-I118 PolarHBondContact O-N 2.96Å; R115-I118 PolarHBondContact O-N 3.18Å; Y116-I118 PolarHBondContact O-N 3.07Å; I118-I123 HydrophobicContact CG2-CB 4.19Å; I118-I123 WeakPolarHBondContact CG2-O 3.25Å; I118-I123 PolarHBondContact O-N 3.01Å
119S38.5Very low39.7Very low79 Ų7962.1 Ų62.155%0.55236%0.356SS*.Hα-helixtrans-78.4-3417671.40000115.1R115 Y116 I117R115-S119 WeakPolarHBondContact O-CB 3.27Å; R115-S119 PolarHBondContact O-N 3.35Å; R115-S119 PolarHBondContact O-OG 3.45Å; Y116-S119 WeakPolarHBondContact CA-OG 3.41Å; Y116-S119 CarbonylContact O-C 3.33Å; Y116-S119 PolarHBondContact O-N 3.32Å; Y116-S119 PolarHBondContact O-OG 3.31Å; I117-S119 PolarHBondContact O-N 2.81Å
120E39.1Very low39Very low80 Ų8069.8 Ų69.837%0.37438%0.381SS..Hα-helixtrans-71.9-39.8175.5-78.2-159.5121.500111.4R98 Y116 I117 G122R98-E120 IonicContact CZ-OE2 2.79Å; R98-E120 VanDerWaalsContact CZ-OE2 3.3Å; R98-E120 IonicContact NH1-OE2 3.74Å; R98-E120 PolarHBondContact NH1-OE2 3.42Å; R98-E120 IonicContact NH2-OE2 3.3Å; R98-E120 PolarHBondContact NH2-OE2 2.83Å; Y116-E120 HydrophobicContact CD1-CG 4.08Å; Y116-E120 HydrophobicContact CE1-CG 3.7Å; Y116-E120 WeakPolarHBondContact CE1-OE2 3.49Å; Y116-E120 HydrophobicContact CE2-CG 4.18Å; Y116-E120 HydrophobicContact CG-CG 4.5Å; Y116-E120 PolarHBondContact O-N 3.02Å; Y116-E120 PolarHBondContact OH-OE1 2.95Å; I117-E120 PolarHBondContact O-N 2.79Å; E120-G122 PolarHBondContact O-N 3.35Å
121D40.2Very low37.9Very low43 Ų4372 Ų7223%0.2340%0.398CS..THydrogen-bonded Turntrans-81.60.1-177-65.5-18.7000112.5Y73 I117 I123Y73-D121 HydrophobicContact CD2-CB 4.26Å; Y73-D121 HydrophobicContact CE2-CB 3.82Å; Y73-D121 WeakPolarHBondContact CE2-OD2 3.44Å; Y73-D121 PolarHBondContact OH-OD2 2.86Å; I117-D121 WeakPolarHBondContact O-CB 3.21Å; I117-D121 PolarHBondContact O-N 3.17Å; D121-I123 HydrophobicContact CB-CD1 3.63Å; D121-I123 HydrophobicContact CB-CG1 4.18Å
122G28.4Very low36.7Very low66 Ų6673.7 Ų73.768%0.6843%0.427SS*.THydrogen-bonded Turntrans83.620.217200000116E120 S124E120-G122 PolarHBondContact O-N 3.35Å; G122-S124 PolarHBondContact O-N 3.41Å
123I30.9Very low35.7Very low21 Ų2182.9 Ų82.911%0.10846%0.458CS..  trans-102.974.9-166.3-48.7151.8000110Y73 L77 I118 D121 T125Y73-I123 HydrophobicContact CD1-CD1 3.43Å; Y73-I123 VanDerWaalsContact CD1-CD1 3.43Å; Y73-I123 HydrophobicContact CD1-CG1 4.48Å; Y73-I123 HydrophobicContact CD2-CD1 3.48Å; Y73-I123 VanDerWaalsContact CD2-CD1 3.48Å; Y73-I123 HydrophobicContact CD2-CG1 4.26Å; Y73-I123 HydrophobicContact CE1-CD1 3.73Å; Y73-I123 HydrophobicContact CE2-CD1 3.76Å; Y73-I123 HydrophobicContact CG-CD1 3.24Å; Y73-I123 HydrophobicContact CG-CG1 3.97Å; L77-I123 HydrophobicContact CD1-CG2 3.62Å; I118-I123 HydrophobicContact CG2-CB 4.19Å; I118-I123 WeakPolarHBondContact CG2-O 3.25Å; I118-I123 PolarHBondContact O-N 3.01Å; D121-I123 HydrophobicContact CB-CD1 3.63Å; D121-I123 HydrophobicContact CB-CG1 4.18Å; I123-T125 VanDerWaalsContact C-N 3.25Å; I123-T125 HydrophobicContact CG2-CG2 4.28Å; I123-T125 PolarHBondContact O-N 3.29Å
124S27.2Very low34.8Very low102 Ų10284.9 Ų84.971%0.71347%0.474SS*.THydrogen-bonded Turntrans-7967.9178.5-167.80000112.7G122G122-S124 PolarHBondContact O-N 3.41Å
125T29Very low33.8Very low93 Ų9389.4 Ų89.457%0.57150%0.498SS*.THydrogen-bonded Turntrans-88.2-16.2165.749.80000113.2L77 I123L77-T125 HydrophobicContact CD1-CG2 3.51Å; L77-T125 HydrophobicContact CD2-CG2 4.32Å; I123-T125 VanDerWaalsContact C-N 3.25Å; I123-T125 HydrophobicContact CG2-CG2 4.28Å; I123-T125 PolarHBondContact O-N 3.29Å
126M30.1Very low32.9Very low62 Ų6294.8 Ų94.831%0.30552%0.524SS..SBendtrans-70.9137.9166.3-72.4-97.5-69.700109.8W150M126-W150 HydrophobicContact CE-CD2 4.29Å; M126-W150 HydrophobicContact CE-CH2 3.66Å; M126-W150 HydrophobicContact CE-CZ2 3.29Å; M126-W150 HydrophobicContact CE-CZ3 4.29Å; M126-W150 HydrophobicContact SD-CH2 3.75Å; M126-W150 HydrophobicContact SD-CZ2 3.67Å
127P30.5Very low32.1Very low98 Ų9897.7 Ų97.764%0.63654%0.539SS*.PPolyproline II helixtrans-54.2133.5175.5-26.634.5000111.8H129P127-H129 PolarHBondContact O-N 3Å
128P30.8Very low31.4Very low111 Ų111102.9 Ų102.972%0.72156%0.559SS**PPolyproline II helixtrans-64.1122.5176.925.8-33.1000109.7R130P128-R130 PolarHBondContact O-N 3.36Å
129H32.2Very low30.5Very low86 Ų86111.6 Ų111.640%0.39860%0.596SS.*PPolyproline II helixtrans-61.2122.7178.4-170.9-105.5000110.4P127 S131 D153P127-H129 PolarHBondContact O-N 3Å; H129-S131 WeakPolarHBondContact CE1-CB 3.29Å; H129-S131 PolarHBondContact CE1-OG 3.44Å; H129-S131 WeakPolarHBondContact ND1-CB 3.5Å; H129-S131 PolarHBondContact ND1-N 2.68Å; H129-S131 PolarHBondContact ND1-O 2.94Å; H129-S131 PolarHBondContact ND1-OG 3.31Å; H129-S131 VanDerWaalsContact ND1-OG 3.14Å; H129-S131 PolarHBondContact O-N 3.46Å; H129-S131 VanDerWaalsContact O-N 3.09Å; H129-D153 IonicContact NE2-OD2 2.68Å
130R29.7Very low30.2Very low255 Ų255110.8 Ų110.896%0.96259%0.59SS**SBendtrans-64.9-13.6-176.9-76-169.1178.3-162.92.7114.2P128 G132P128-R130 PolarHBondContact O-N 3.36Å; R130-G132 PolarHBondContact O-N 2.86Å
131S30.9Very low29.8Very low60 Ų60114.8 Ų114.842%0.4261%0.614SS.*SBendtrans-84.6106.51661130000110.2H129 R133H129-S131 WeakPolarHBondContact CE1-CB 3.29Å; H129-S131 PolarHBondContact CE1-OG 3.44Å; H129-S131 WeakPolarHBondContact ND1-CB 3.5Å; H129-S131 PolarHBondContact ND1-N 2.68Å; H129-S131 PolarHBondContact ND1-O 2.94Å; H129-S131 PolarHBondContact ND1-OG 3.31Å; H129-S131 VanDerWaalsContact ND1-OG 3.14Å; H129-S131 PolarHBondContact O-N 3.46Å; H129-S131 VanDerWaalsContact O-N 3.09Å; S131-R133 PolarHBondContact O-N 3.39Å
132G25.5Very low29.7Very low81 Ų81116.7 Ų116.784%0.83562%0.62SS**  trans-69.126.2178.600000115.2R130 A134R130-G132 PolarHBondContact O-N 2.86Å; G132-A134 PolarHBondContact O-N 3.48Å; G132-A134 VanDerWaalsContact O-N 3.13Å
133R26.1Very low29.9Very low223 Ų223115.6 Ų115.684%0.84260%0.601SS**  trans-80.891.1171.9-72-173.2-174.4172.55.4109.2S131 L135S131-R133 PolarHBondContact O-N 3.39Å; R133-L135 PolarHBondContact O-N 2.85Å
134A30.2Very low29.9Very low75 Ų75116.3 Ų116.362%0.6261%0.605SS**  trans-46.6134.3166.900000110.6G132 K136G132-A134 PolarHBondContact O-N 3.48Å; G132-A134 VanDerWaalsContact O-N 3.13Å; A134-K136 HydrophobicContact CB-CG 4.31Å; A134-K136 PolarHBondContact O-N 3.06Å
135L29.4Very low30.2Very low99 Ų99114.1 Ų114.152%0.51859%0.585SS.*SBendtrans-6829.2-176.9-74158.7000114.4R133 K137 W138R133-L135 PolarHBondContact O-N 2.85Å; L135-K137 PolarHBondContact O-N 3.07Å; L135-W138 VanDerWaalsContact CD2-CD1 3.46Å; L135-W138 HydrophobicContact CD2-CG 4.19Å; L135-W138 PolarHBondContact O-N 3Å
136K27.5Very low30.7Very low194 Ų194111.3 Ų111.384%0.84357%0.567SS**THydrogen-bonded Turntrans-66.66178-71.6-172.5173.3-177.80114.6A134A134-K136 HydrophobicContact CB-CG 4.31Å; A134-K136 PolarHBondContact O-N 3.06Å
137K29.1Very low31.1Very low196 Ų196109.1 Ų109.185%0.85256%0.558SS**THydrogen-bonded Turntrans-139.848.9175.4-75-170.1174.8-178.50112.6L135 K139L135-K137 PolarHBondContact O-N 3.07Å; K137-K139 VanDerWaalsContact C-N 3.28Å; K137-K139 PolarHBondContact O-N 3.46Å; K137-K139 VanDerWaalsContact O-N 3.1Å
138W30Very low31.6Very low111 Ų111105.4 Ų105.442%0.4254%0.535SS..  trans-82.477165-108.841.8000111.3V112 L135 P143 T146V112-W138 HydrophobicContact CG1-CH2 3.93Å; V112-W138 HydrophobicContact CG1-CZ3 3.8Å; L135-W138 VanDerWaalsContact CD2-CD1 3.46Å; L135-W138 HydrophobicContact CD2-CG 4.19Å; L135-W138 PolarHBondContact O-N 3Å; W138-P143 HydrophobicContact CH2-CB 3.85Å; W138-P143 HydrophobicContact CZ3-CB 4.08Å; W138-T146 HydrophobicContact CZ2-CG2 3.91Å
139K26.3Very low32.1Very low208 Ų208104.6 Ų104.690%0.90452%0.522SS*.  trans-116.857.6161.6-75.2-166.9173.9-170.60108.6K137K137-K139 VanDerWaalsContact C-N 3.28Å; K137-K139 PolarHBondContact O-N 3.46Å; K137-K139 VanDerWaalsContact O-N 3.1Å
140S32.2Very low32.6Very low62 Ų62104 Ų10443%0.43452%0.516SS..  trans-126119.8-176.4176.70000109.5K142S140-K142 PolarHBondContact O-N 3.17Å
141D30.8Very low33.2Very low164 Ų16492.4 Ų92.488%0.87747%0.474SS*.SBendtrans-7316.4179.2-53.7-48.1000113.2P143D141-P143 VanDerWaalsContact C-CD 3.44Å
142K36.9Very low33.7Very low84 Ų8492.7 Ų92.737%0.36547%0.47SS..  trans-129.556.8-173.9-56.1-168.8-175-167.30112.6S140 L144 L145 R182S140-K142 PolarHBondContact O-N 3.17Å; K142-L144 PolarHBondContact O-N 2.96Å; K142-L144 VanDerWaalsContact O-N 3.17Å; K142-L145 HydrophobicContact CB-CB 4.23Å; K142-L145 WeakPolarHBondContact O-CB 3.21Å; K142-L145 PolarHBondContact O-N 2.68Å; K142-R182 PolarHBondContact NZ-O 3.13Å
143P32.4Very low34.5Very low42 Ų4292.4 Ų92.427%0.27345%0.45SS..Hα-helixtrans-60.1-26.5179.225.8-35.2000113.5V112 W138 D141 L145 V147V112-P143 HydrophobicContact CG1-CB 4.45Å; V112-P143 HydrophobicContact CG2-CB 4.22Å; W138-P143 HydrophobicContact CH2-CB 3.85Å; W138-P143 HydrophobicContact CZ3-CB 4.08Å; D141-P143 VanDerWaalsContact C-CD 3.44Å; P143-L145 VanDerWaalsContact C-N 3.35Å; P143-V147 PolarHBondContact O-N 3.5Å
144L32.2Very low35.2Very low36 Ų3683.6 Ų83.619%0.18842%0.422CS..Hα-helixtrans-60.8-36.8171.8-88.7152000113.5A108 K142 V147 A148 L174 F179A108-L144 HydrophobicContact CB-CD2 3.37Å; A108-L144 HydrophobicContact CB-CG 4.16Å; K142-L144 PolarHBondContact O-N 2.96Å; K142-L144 VanDerWaalsContact O-N 3.17Å; L144-V147 PolarHBondContact O-N 2.81Å; L144-A148 PolarHBondContact O-N 2.99Å; L144-L174 HydrophobicContact CD2-CD2 3.93Å; L144-F179 HydrophobicContact CD1-CB 3.85Å; L144-F179 HydrophobicContact CD1-CD2 4.04Å; L144-F179 HydrophobicContact CD1-CG 4.14Å
145L32.9Very low35.5Very low57 Ų5781.6 Ų81.630%0.29840%0.404SS..Hα-helixtrans-64.7-48.6-177.9-124.677.9000110.8K142 P143 V147 A148 E149 V183K142-L145 HydrophobicContact CB-CB 4.23Å; K142-L145 WeakPolarHBondContact O-CB 3.21Å; K142-L145 PolarHBondContact O-N 2.68Å; P143-L145 VanDerWaalsContact C-N 3.35Å; L145-V147 VanDerWaalsContact C-N 3.26Å; L145-V147 PolarHBondContact O-N 2.74Å; L145-A148 CarbonylContact O-C 3.59Å; L145-A148 WeakPolarHBondContact O-CA 3.46Å; L145-A148 WeakPolarHBondContact O-CB 3.25Å; L145-A148 PolarHBondContact O-N 3.18Å; L145-E149 WeakPolarHBondContact O-CB 3.33Å; L145-E149 VanDerWaalsContact O-CG 3.26Å; L145-E149 WeakPolarHBondContact O-CG 3.48Å; L145-E149 PolarHBondContact O-N 2.92Å; L145-V183 HydrophobicContact CD1-CB 4.31Å; L145-V183 HydrophobicContact CD1-CG1 3.79Å; L145-V183 HydrophobicContact CD1-CG2 3.57Å; L145-V183 HydrophobicContact CD2-CG1 4.35Å
146T38.6Very low35.8Very low33 Ų3384.2 Ų84.220%0.20242%0.415CS..Hα-helixtrans-68.8-23.4-176.7-52.40000113.3W138 E149 W150W138-T146 HydrophobicContact CZ2-CG2 3.91Å; T146-E149 WeakPolarHBondContact CA-OE2 3.41Å; T146-W150 VanDerWaalsContact O-CB 3.25Å; T146-W150 WeakPolarHBondContact O-CB 3.34Å; T146-W150 PolarHBondContact O-N 3.36Å; T146-W150 VanDerWaalsContact O-N 3.13Å
147V39.8Very low36.4Very low17 Ų1780.8 Ų80.810%0.10341%0.406CS..Hα-helixtrans-75.3-43.1169177.30000110.6V112 P143 L144 L145 W150 V151V112-V147 HydrophobicContact CG2-CG2 3.39Å; P143-V147 PolarHBondContact O-N 3.5Å; L144-V147 PolarHBondContact O-N 2.81Å; L145-V147 VanDerWaalsContact C-N 3.26Å; L145-V147 PolarHBondContact O-N 2.74Å; V147-W150 PolarHBondContact O-N 3.36Å; V147-V151 HydrophobicContact CG1-CG2 4.46Å; V147-V151 VanDerWaalsContact O-CG2 3.25Å; V147-V151 WeakPolarHBondContact O-CG2 3.41Å; V147-V151 PolarHBondContact O-N 3.46Å
148A39.9Very low36.8Very low20 Ų2076.2 Ų76.217%0.16539%0.391CS..Hα-helixtrans-61.1-46.3175.500000112.2L144 L145 V151 L152 L174L144-A148 PolarHBondContact O-N 2.99Å; L145-A148 CarbonylContact O-C 3.59Å; L145-A148 WeakPolarHBondContact O-CA 3.46Å; L145-A148 WeakPolarHBondContact O-CB 3.25Å; L145-A148 PolarHBondContact O-N 3.18Å; A148-V151 PolarHBondContact O-N 3.04Å; A148-L152 WeakPolarHBondContact O-CB 3.49Å; A148-L152 VanDerWaalsContact O-CG 3.31Å; A148-L152 WeakPolarHBondContact O-CG 3.47Å; A148-L152 PolarHBondContact O-N 3.08Å; A148-L174 HydrophobicContact CB-CD1 3.73Å; A148-L174 HydrophobicContact CB-CD2 4.34Å
149E40.9Very low37Very low94 Ų9475.1 Ų75.144%0.43941%0.414SS..Hα-helixtrans-58.7-45174.4-70.7164.5166.300111.2L145 T146 V151 L152 D153L145-E149 WeakPolarHBondContact O-CB 3.33Å; L145-E149 VanDerWaalsContact O-CG 3.26Å; L145-E149 WeakPolarHBondContact O-CG 3.48Å; L145-E149 PolarHBondContact O-N 2.92Å; T146-E149 WeakPolarHBondContact CA-OE2 3.41Å; E149-V151 PolarHBondContact O-N 2.97Å; E149-L152 PolarHBondContact O-N 2.9Å; E149-D153 WeakPolarHBondContact O-CB 3.24Å; E149-D153 PolarHBondContact O-N 3.45Å
150W43.9Very low37.5Very low72 Ų7273.1 Ų73.127%0.27341%0.408SS..Hα-helixtrans-66.2-37.7177.9176.874000113.1M126 T146 V147 S154M126-W150 HydrophobicContact CE-CD2 4.29Å; M126-W150 HydrophobicContact CE-CH2 3.66Å; M126-W150 HydrophobicContact CE-CZ2 3.29Å; M126-W150 HydrophobicContact CE-CZ3 4.29Å; M126-W150 HydrophobicContact SD-CH2 3.75Å; M126-W150 HydrophobicContact SD-CZ2 3.67Å; T146-W150 VanDerWaalsContact O-CB 3.25Å; T146-W150 WeakPolarHBondContact O-CB 3.34Å; T146-W150 PolarHBondContact O-N 3.36Å; T146-W150 VanDerWaalsContact O-N 3.13Å; V147-W150 PolarHBondContact O-N 3.36Å; W150-S154 VanDerWaalsContact O-CB 3.24Å; W150-S154 WeakPolarHBondContact O-CB 3.23Å; W150-S154 PolarHBondContact O-N 3.4Å; W150-S154 PolarHBondContact O-OG 3.11Å
151V41.8Very low37.5Very low12 Ų1276 Ų767%0.07343%0.428CS..Hα-helixtrans-64.9-44.5173.8168.50000110.6V147 A148 E149 S154 S155 T167 L170V147-V151 HydrophobicContact CG1-CG2 4.46Å; V147-V151 VanDerWaalsContact O-CG2 3.25Å; V147-V151 WeakPolarHBondContact O-CG2 3.41Å; V147-V151 PolarHBondContact O-N 3.46Å; A148-V151 PolarHBondContact O-N 3.04Å; E149-V151 PolarHBondContact O-N 2.97Å; V151-S154 PolarHBondContact O-N 3.2Å; V151-S155 WeakPolarHBondContact O-CB 3.29Å; V151-S155 PolarHBondContact O-N 3.14Å; V151-S155 PolarHBondContact O-OG 3.5Å; V151-T167 HydrophobicContact CG1-CG2 4.07Å; V151-L170 HydrophobicContact CB-CD2 4.28Å; V151-L170 HydrophobicContact CG1-CB 4.38Å; V151-L170 HydrophobicContact CG1-CD2 3.8Å; V151-L170 HydrophobicContact CG1-CG 4.09Å; V151-L170 HydrophobicContact CG2-CD2 3.42Å; V151-L170 VanDerWaalsContact CG2-CD2 3.42Å; V151-L170 HydrophobicContact CG2-CG 4.14Å
152L40.7Very low37.7Very low67 Ų6771.2 Ų71.235%0.35142%0.417SS..Hα-helixtrans-61.2-53.9176.2-75.8164.5000111.1A148 E149 S154 S155 M156 L171A148-L152 WeakPolarHBondContact O-CB 3.49Å; A148-L152 VanDerWaalsContact O-CG 3.31Å; A148-L152 WeakPolarHBondContact O-CG 3.47Å; A148-L152 PolarHBondContact O-N 3.08Å; E149-L152 PolarHBondContact O-N 2.9Å; L152-S154 VanDerWaalsContact C-N 3.29Å; L152-S154 PolarHBondContact O-N 3.07Å; L152-S155 PolarHBondContact O-N 2.69Å; L152-S155 PolarHBondContact O-OG 3.32Å; L152-M156 WeakPolarHBondContact O-CG 3.41Å; L152-M156 PolarHBondContact O-N 2.95Å; L152-L171 HydrophobicContact CD1-CD2 4.29Å; L152-L171 HydrophobicContact CD2-CD1 3.85Å; L152-L171 HydrophobicContact CD2-CD2 3.68Å; L152-L171 HydrophobicContact CD2-CG 4.37Å; L152-L171 HydrophobicContact CG-CD2 3.88Å
153D43.1Very low37.6Very low75 Ų7569.3 Ų69.340%0.40141%0.414SS..Hα-helixtrans-59.5-39.3178.5-86.8-12000111.9H129 E149 S155 M156 N157H129-D153 IonicContact NE2-OD2 2.68Å; E149-D153 WeakPolarHBondContact O-CB 3.24Å; E149-D153 PolarHBondContact O-N 3.45Å; D153-S155 VanDerWaalsContact C-N 3.31Å; D153-S155 PolarHBondContact O-N 2.95Å; D153-M156 PolarHBondContact O-N 2.92Å; D153-N157 WeakPolarHBondContact O-CB 3.31Å; D153-N157 PolarHBondContact O-N 3.36Å; D153-N157 PolarHBondContact O-ND2 2.97Å
154S39.8Very low37.7Very low38 Ų3873.4 Ų73.427%0.26643%0.434SS..Hα-helixtrans-68.1-31.3177.3-56.70000112.4W150 V151 L152 N158W150-S154 VanDerWaalsContact O-CB 3.24Å; W150-S154 WeakPolarHBondContact O-CB 3.23Å; W150-S154 PolarHBondContact O-N 3.4Å; W150-S154 PolarHBondContact O-OG 3.11Å; V151-S154 PolarHBondContact O-N 3.2Å; L152-S154 VanDerWaalsContact C-N 3.29Å; L152-S154 PolarHBondContact O-N 3.07Å; S154-N158 PolarHBondContact O-ND2 2.7Å
155S37.9Very low37.8Very low33 Ų3374.1 Ų74.123%0.23145%0.45CS..Hα-helixtrans-79.4-29.2175.871.70000114.2V151 L152 D153 T167V151-S155 WeakPolarHBondContact O-CB 3.29Å; V151-S155 PolarHBondContact O-N 3.14Å; V151-S155 PolarHBondContact O-OG 3.5Å; L152-S155 PolarHBondContact O-N 2.69Å; L152-S155 PolarHBondContact O-OG 3.32Å; D153-S155 VanDerWaalsContact C-N 3.31Å; D153-S155 PolarHBondContact O-N 2.95Å; S155-T167 WeakPolarHBondContact CB-OG1 3.47Å; S155-T167 WeakPolarHBondContact OG-CG2 3.38Å
156M35.9Very low37.9Very low154 Ų15476.1 Ų76.176%0.75946%0.458SS*.Hα-helixtrans-90.8-23.7-177.2-66.1-167.978.300113.5L152 D153L152-M156 WeakPolarHBondContact O-CG 3.41Å; L152-M156 PolarHBondContact O-N 2.95Å; D153-M156 PolarHBondContact O-N 2.92Å
157N39.6Very low37.8Very low121 Ų12175.5 Ų75.565%0.64745%0.454SS*.Hα-helixtrans-94.7-14.9-178.8-69.5-72.8000114.2D153 G159D153-N157 WeakPolarHBondContact O-CB 3.31Å; D153-N157 PolarHBondContact O-N 3.36Å; D153-N157 PolarHBondContact O-ND2 2.97Å; N157-G159 PolarHBondContact O-N 3.35Å
158N36.5Very low37.7Very low100 Ų10077.8 Ų77.854%0.53547%0.468SS..  trans-9191.6172.6-69.3-9.6000108.6S154 E160S154-N158 PolarHBondContact O-ND2 2.7Å; N158-E160 PolarHBondContact O-N 3.46Å
159G35.8Very low37.6Very low88 Ų8885 Ų8591%0.90749%0.491SS*.  trans-7033.5-177.200000115.6N157N157-G159 PolarHBondContact O-N 3.35Å
160E35.1Very low37.5Very low166 Ų16683.1 Ų83.178%0.77648%0.484SS*.SBendtrans-112.6136.5-179.9-67.5-177.3163.800110.1N158 G162N158-E160 PolarHBondContact O-N 3.46Å; E160-G162 PolarHBondContact O-N 3.32Å
161S32.9Very low37.3Very low123 Ų12382.1 Ų82.186%0.8648%0.484SS*.THydrogen-bonded Turntrans-75.834.8-16354.10000115.8
162G35.5Very low37.1Very low63 Ų6385.6 Ų85.665%0.64950%0.499SS*.THydrogen-bonded Turntrans-109-30.6-172.300000116.6E160 N164E160-G162 PolarHBondContact O-N 3.32Å; G162-N164 VanDerWaalsContact C-N 3.27Å; G162-N164 PolarHBondContact O-N 3.32Å; G162-N164 VanDerWaalsContact O-N 3.07Å
163C34.4Very low36.9Very low45 Ų4584.2 Ų84.230%0.30450%0.498SS..THydrogen-bonded Turntrans-81.313-163.1-68.30000116.7G165 T167C163-G165 PolarHBondContact O-N 3.13Å; C163-T167 WeakPolarHBondContact O-CB 3.26Å; C163-T167 PolarHBondContact O-N 3.33Å; C163-T167 PolarHBondContact O-OG1 2.91Å; C163-T167 VanDerWaalsContact O-OG1 3.14Å
164N35.6Very low36.6Very low127 Ų12781.8 Ų81.868%0.67948%0.484SS*.THydrogen-bonded Turntrans-70.2-26.7-165.4-60.6-5.9000114.4G162 T168G162-N164 VanDerWaalsContact C-N 3.27Å; G162-N164 PolarHBondContact O-N 3.32Å; G162-N164 VanDerWaalsContact O-N 3.07Å; N164-T168 WeakPolarHBondContact O-CB 3.5Å; N164-T168 PolarHBondContact O-OG1 3.45Å
165G32.9Very low36.3Very low52 Ų5284.8 Ų84.854%0.53650%0.501SS..THydrogen-bonded Turntrans-89.4-47.1179.600000113.8C163 T168 W169C163-G165 PolarHBondContact O-N 3.13Å; G165-T168 PolarHBondContact O-N 2.83Å; G165-W169 PolarHBondContact O-N 2.79Å
166E35Very low36.1Very low98 Ų9892.9 Ų92.946%0.45853%0.527SS..Hα-helixtrans-74.8-44.2-168.7-65.7167.8-171.700112.2L55 T168 W169 L170L55-E166 WeakPolarHBondContact CB-OE1 3.37Å; E166-T168 VanDerWaalsContact C-N 3.3Å; E166-T168 PolarHBondContact O-N 3.28Å; E166-W169 PolarHBondContact O-N 3.1Å; E166-L170 WeakPolarHBondContact O-CB 3.42Å; E166-L170 PolarHBondContact O-N 3.43Å
167T37.3Very low35.7Very low21 Ų2185.7 Ų85.713%0.12949%0.492CS..Hα-helixtrans-60.5-43.7171.4-49.90000110.4V151 S155 C163 W169 L170 L171V151-T167 HydrophobicContact CG1-CG2 4.07Å; S155-T167 WeakPolarHBondContact CB-OG1 3.47Å; S155-T167 WeakPolarHBondContact OG-CG2 3.38Å; C163-T167 WeakPolarHBondContact O-CB 3.26Å; C163-T167 PolarHBondContact O-N 3.33Å; C163-T167 PolarHBondContact O-OG1 2.91Å; C163-T167 VanDerWaalsContact O-OG1 3.14Å; T167-W169 PolarHBondContact O-N 3.05Å; T167-L170 PolarHBondContact O-N 2.77Å; T167-L171 HydrophobicContact CG2-CD1 3.82Å; T167-L171 HydrophobicContact CG2-CG 4.28Å; T167-L171 WeakPolarHBondContact O-CB 3.44Å; T167-L171 VanDerWaalsContact O-CG 3.23Å; T167-L171 WeakPolarHBondContact O-CG 2.99Å; T167-L171 PolarHBondContact O-N 3.21Å
168T37.3Very low35.1Very low65 Ų6584.7 Ų84.740%0.39949%0.492SS..Hα-helixtrans-61.6-42.4179.3-61.40000111.8N164 G165 E166 L171 Q172N164-T168 WeakPolarHBondContact O-CB 3.5Å; N164-T168 PolarHBondContact O-OG1 3.45Å; G165-T168 PolarHBondContact O-N 2.83Å; E166-T168 VanDerWaalsContact C-N 3.3Å; E166-T168 PolarHBondContact O-N 3.28Å; T168-L171 PolarHBondContact O-N 2.83Å; T168-Q172 WeakPolarHBondContact O-CB 3.35Å; T168-Q172 VanDerWaalsContact O-CG 3.24Å; T168-Q172 WeakPolarHBondContact O-CG 3.24Å; T168-Q172 PolarHBondContact O-N 2.81Å
169W38.1Very low34.8Very low171 Ų17184.8 Ų84.865%0.64849%0.488SS*.Hα-helixtrans-68.5-40.6177.1-171.484.2000112.5G165 E166 T167 L171 Q172 A173G165-W169 PolarHBondContact O-N 2.79Å; E166-W169 PolarHBondContact O-N 3.1Å; T167-W169 PolarHBondContact O-N 3.05Å; W169-L171 VanDerWaalsContact C-N 3.35Å; W169-L171 PolarHBondContact O-N 3Å; W169-Q172 CarbonylContact O-C 3.32Å; W169-Q172 WeakPolarHBondContact O-CB 3.25Å; W169-Q172 PolarHBondContact O-N 3.31Å; W169-A173 WeakPolarHBondContact O-CB 3.4Å; W169-A173 PolarHBondContact O-N 3.46Å
170L39.2Very low34.4Very low54 Ų5482.3 Ų82.328%0.28346%0.459SS..Hα-helixtrans-66.6-37.5176.8-170.448.4000111.5V151 E166 T167 A173 L174V151-L170 HydrophobicContact CB-CD2 4.28Å; V151-L170 HydrophobicContact CG1-CB 4.38Å; V151-L170 HydrophobicContact CG1-CD2 3.8Å; V151-L170 HydrophobicContact CG1-CG 4.09Å; V151-L170 HydrophobicContact CG2-CD2 3.42Å; V151-L170 VanDerWaalsContact CG2-CD2 3.42Å; V151-L170 HydrophobicContact CG2-CG 4.14Å; E166-L170 WeakPolarHBondContact O-CB 3.42Å; E166-L170 PolarHBondContact O-N 3.43Å; T167-L170 PolarHBondContact O-N 2.77Å; L170-A173 PolarHBondContact O-N 3.03Å; L170-L174 HydrophobicContact CG-CD1 4.27Å; L170-L174 WeakPolarHBondContact O-CB 3.43Å; L170-L174 WeakPolarHBondContact O-CD1 3.44Å; L170-L174 WeakPolarHBondContact O-CG 3.31Å; L170-L174 PolarHBondContact O-N 3.37Å
171L38.1Very low34.2Very low51 Ų5181.9 Ų81.927%0.26746%0.461SS..Hα-helixtrans-66.1-37.1170.3-71.3170.8000112.7L152 T167 T168 W169 L174 T175L152-L171 HydrophobicContact CD1-CD2 4.29Å; L152-L171 HydrophobicContact CD2-CD1 3.85Å; L152-L171 HydrophobicContact CD2-CD2 3.68Å; L152-L171 HydrophobicContact CD2-CG 4.37Å; L152-L171 HydrophobicContact CG-CD2 3.88Å; T167-L171 HydrophobicContact CG2-CD1 3.82Å; T167-L171 HydrophobicContact CG2-CG 4.28Å; T167-L171 WeakPolarHBondContact O-CB 3.44Å; T167-L171 VanDerWaalsContact O-CG 3.23Å; T167-L171 WeakPolarHBondContact O-CG 2.99Å; T167-L171 PolarHBondContact O-N 3.21Å; T168-L171 PolarHBondContact O-N 2.83Å; W169-L171 VanDerWaalsContact C-N 3.35Å; W169-L171 PolarHBondContact O-N 3Å; L171-L174 PolarHBondContact O-N 2.96Å; L171-T175 WeakPolarHBondContact O-CB 3.26Å; L171-T175 WeakPolarHBondContact O-CG2 3.45Å; L171-T175 PolarHBondContact O-N 2.75Å; L171-T175 PolarHBondContact O-OG1 2.91Å
172Q38.7Very low33.9Very low86 Ų8684.9 Ų84.940%0.40245%0.454SS..Hα-helixtrans-66.4-37.1172.3-76.1174.69.500111.9T168 W169 T175 R176T168-Q172 WeakPolarHBondContact O-CB 3.35Å; T168-Q172 VanDerWaalsContact O-CG 3.24Å; T168-Q172 WeakPolarHBondContact O-CG 3.24Å; T168-Q172 PolarHBondContact O-N 2.81Å; W169-Q172 CarbonylContact O-C 3.32Å; W169-Q172 WeakPolarHBondContact O-CB 3.25Å; W169-Q172 PolarHBondContact O-N 3.31Å; Q172-T175 WeakPolarHBondContact CA-OG1 3.43Å; Q172-T175 PolarHBondContact O-OG1 3.25Å; Q172-R176 VanDerWaalsContact O-CB 3.29Å; Q172-R176 WeakPolarHBondContact O-CB 3.35Å; Q172-R176 WeakPolarHBondContact O-CD 3.4Å; Q172-R176 WeakPolarHBondContact O-CG 3.32Å; Q172-R176 PolarHBondContact O-N 3.09Å
173A37.5Very low33.6Very low38 Ų3885 Ų8531%0.31444%0.442SS..Hα-helixtrans-68.5-39.7174.300000111.9W169 L170 C177W169-A173 WeakPolarHBondContact O-CB 3.4Å; W169-A173 PolarHBondContact O-N 3.46Å; L170-A173 PolarHBondContact O-N 3.03Å; A173-C177 PolarHBondContact O-N 3.42Å
174L36Very low33.2Very low24 Ų2495.6 Ų95.613%0.12648%0.483CS..Hα-helixtrans-69.4-40.4176.6-72.2162.5000112.4L144 A148 L170 L171 C177L144-L174 HydrophobicContact CD2-CD2 3.93Å; A148-L174 HydrophobicContact CB-CD1 3.73Å; A148-L174 HydrophobicContact CB-CD2 4.34Å; L170-L174 HydrophobicContact CG-CD1 4.27Å; L170-L174 WeakPolarHBondContact O-CB 3.43Å; L170-L174 WeakPolarHBondContact O-CD1 3.44Å; L170-L174 WeakPolarHBondContact O-CG 3.31Å; L170-L174 PolarHBondContact O-N 3.37Å; L171-L174 PolarHBondContact O-N 2.96Å; L174-C177 WeakPolarHBondContact O-CB 3.38Å; L174-C177 PolarHBondContact O-N 3.4Å
175T33.3Very low33.1Very low101 Ų10194 Ų9462%0.6247%0.473SS*.Hα-helixtrans-72.8-27.2176.249.10000113.4L171 Q172 C177L171-T175 WeakPolarHBondContact O-CB 3.26Å; L171-T175 WeakPolarHBondContact O-CG2 3.45Å; L171-T175 PolarHBondContact O-N 2.75Å; L171-T175 PolarHBondContact O-OG1 2.91Å; Q172-T175 WeakPolarHBondContact CA-OG1 3.43Å; Q172-T175 PolarHBondContact O-OG1 3.25Å; T175-C177 VanDerWaalsContact C-N 3.28Å
176R33Very low33.1Very low202 Ų20296.2 Ų96.276%0.76247%0.47SS*.THydrogen-bonded Turntrans-79.3-6.3169.2-70.9173.4-178.8-172.12.3113.7Q172Q172-R176 VanDerWaalsContact O-CB 3.29Å; Q172-R176 WeakPolarHBondContact O-CB 3.35Å; Q172-R176 WeakPolarHBondContact O-CD 3.4Å; Q172-R176 WeakPolarHBondContact O-CG 3.32Å; Q172-R176 PolarHBondContact O-N 3.09Å
177C29Very low33Very low4 Ų496.1 Ų96.13%0.02747%0.47CS..SBendtrans-70.3127.7177.8-163.20000109.9H106 A173 L174 T175 F179 A180H106-C177 VanDerWaalsContact CE1-SG 3.58Å; A173-C177 PolarHBondContact O-N 3.42Å; L174-C177 WeakPolarHBondContact O-CB 3.38Å; L174-C177 PolarHBondContact O-N 3.4Å; T175-C177 VanDerWaalsContact C-N 3.28Å; C177-F179 PolarHBondContact O-N 3.42Å; C177-A180 WeakPolarHBondContact O-CB 3.41Å; C177-A180 PolarHBondContact O-N 3.16Å
178P26.9Very low32.7Very low100 Ų100100.5 Ų100.565%0.64949%0.49SS*.THydrogen-bonded Turntrans-57.4-15.9-177.9-27.535.5000115.3
179F29.5Very low32.5Very low102 Ų102102.8 Ų102.845%0.44750%0.496SS..THydrogen-bonded Turntrans-85.8-14.5177.9-59.5-78.2000114L144 C177 N181 R182L144-F179 HydrophobicContact CD1-CB 3.85Å; L144-F179 HydrophobicContact CD1-CD2 4.04Å; L144-F179 HydrophobicContact CD1-CG 4.14Å; C177-F179 PolarHBondContact O-N 3.42Å; F179-N181 PolarHBondContact O-N 3.14Å; F179-R182 PolarHBondContact O-N 3.34Å
180A28.2Very low32.1Very low36 Ų3698.2 Ų98.230%0.29849%0.486SS..G310 helixtrans-59.3-36.1177.500000112.1C177 R182 V183C177-A180 WeakPolarHBondContact O-CB 3.41Å; C177-A180 PolarHBondContact O-N 3.16Å; A180-R182 PolarHBondContact O-N 2.87Å; A180-V183 PolarHBondContact O-N 3.3Å
181N29.2Very low31.6Very low156 Ų156101.4 Ų101.483%0.83450%0.5SS*.G310 helixtrans-76.1-0.1177.2-69.6-25.9000114.4F179 V183F179-N181 PolarHBondContact O-N 3.14Å; N181-V183 VanDerWaalsContact C-N 3.32Å
182R28.4Very low31.1Very low187 Ų187105.2 Ų105.271%0.70652%0.518SS*.G310 helixtrans-97.320.4171.1-60.8-172.6178.8-169.6-1.1112.4K142 F179 A180K142-R182 PolarHBondContact NZ-O 3.13Å; F179-R182 PolarHBondContact O-N 3.34Å; A180-R182 PolarHBondContact O-N 2.87Å
183V27.4Very low30.4Very low64 Ų64106.8 Ų106.839%0.38853%0.528SS..  trans-122.677.6-180-167.40000108.9L145 A180 N181L145-V183 HydrophobicContact CD1-CB 4.31Å; L145-V183 HydrophobicContact CD1-CG1 3.79Å; L145-V183 HydrophobicContact CD1-CG2 3.57Å; L145-V183 HydrophobicContact CD2-CG1 4.35Å; A180-V183 PolarHBondContact O-N 3.3Å; N181-V183 VanDerWaalsContact C-N 3.32Å
184K27.2Very low29.8Very low268 Ų268113.1 Ų113.1100%1.16555%0.547SS*.  trans-122.10150.4-73.3-171.1175.5-175.80107.5

Retrieved 184 of 184 residues in 88 ms (Link to these results)

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