A0A077ZKG4_TRITR Loading...

histone deacetylase

AlphaFold DB , UniProt , Accession A0A077ZKG4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 105 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
1M85.5Confident97.1Very high175 Ų17567.2 Ų67.286%0.86236%0.359SS*.  0157.20-73.6-169.3165.400108.3G56M1-G56 CarbonylContact O-C 3.6Å; M1-G56 VanDerWaalsContact O-CA 3.3Å; M1-G56 WeakPolarHBondContact O-CA 3.39Å
2P97.5Very high97.3Very high67 Ų6761.8 Ų61.844%0.43533%0.33SS..PPolyproline II helixtrans-55.3140.5169.8-1928.8000110.5L52 N53P2-L52 HydrophobicContact CB-CB 4.06Å; P2-N53 WeakPolarHBondContact CG-OD1 3.42Å
3C98Very high97.4Very high9 Ų958.9 Ų58.96%0.06132%0.318CS..PPolyproline II helixtrans-64.9137.2174.4-155.90000110V7 L8 L52 C55C3-V7 WeakPolarHBondContact SG-CG1 3.46Å; C3-L8 HydrophobicContact CB-CD2 4.24Å; C3-L8 HydrophobicContact CB-CG 4.2Å; C3-L52 WeakPolarHBondContact CB-O 3.35Å; C3-L52 PolarHBondContact N-O 2.99Å; C3-C55 HydrophobicContact CB-CB 3.91Å; C3-C55 PolarHBondContact SG-SG 3.08Å
4T98.1Very high97.5Very high70 Ų7057.3 Ų57.343%0.42932%0.316SS..PPolyproline II helixtrans-85.1160.1177.657.60000111D6 V7 L8T4-D6 VanDerWaalsContact C-N 3.31Å; T4-D6 WeakPolarHBondContact CB-OD1 3.47Å; T4-D6 PolarHBondContact O-N 2.78Å; T4-D6 VanDerWaalsContact OG1-CG 3.31Å; T4-D6 PolarHBondContact OG1-OD1 3.39Å; T4-V7 PolarHBondContact O-N 3Å; T4-V7 WeakPolarHBondContact OG1-CG2 3.47Å; T4-L8 WeakPolarHBondContact O-CG 3.49Å; T4-L8 PolarHBondContact O-N 3.47Å
5E97.8Very high97.5Very high86 Ų8661.5 Ų61.540%0.40233%0.333SS..Hα-helixtrans-60.5-40.8-179.6-177.6170.2175.200111.7V7 L8 T9 V17 R18E5-V7 VanDerWaalsContact C-N 3.34Å; E5-V7 PolarHBondContact O-N 3.3Å; E5-L8 PolarHBondContact O-N 3.31Å; E5-T9 HydrophobicContact CG-CG2 4.24Å; E5-T9 VanDerWaalsContact O-CG2 3.26Å; E5-T9 WeakPolarHBondContact O-CG2 3.45Å; E5-T9 PolarHBondContact O-N 3.37Å; E5-T9 PolarHBondContact O-OG1 2.75Å; E5-V17 HydrophobicContact CG-CG1 4Å; E5-R18 IonicContact OE1-NH1 3.21Å; E5-R18 PolarHBondContact OE1-NH1 2.9Å
6D98.2Very high97.6Very high107 Ų10757.8 Ų57.857%0.57231%0.313SS*.Hα-helixtrans-57.9-45.1176.856.7-59.2000111.9T4 T9 L10T4-D6 VanDerWaalsContact C-N 3.31Å; T4-D6 WeakPolarHBondContact CB-OD1 3.47Å; T4-D6 PolarHBondContact O-N 2.78Å; T4-D6 VanDerWaalsContact OG1-CG 3.31Å; T4-D6 PolarHBondContact OG1-OD1 3.39Å; D6-T9 WeakPolarHBondContact CA-OG1 3.29Å; D6-T9 PolarHBondContact O-N 3.27Å; D6-T9 PolarHBondContact O-OG1 3.33Å; D6-L10 PolarHBondContact O-N 2.97Å
7V98.6Very high97.6Very high17 Ų1754.4 Ų54.410%0.10329%0.294CS..Hα-helixtrans-67.8-41.9177.7177.20000111.3C3 T4 E5 T9 L10 V59 V100 Y104C3-V7 WeakPolarHBondContact SG-CG1 3.46Å; T4-V7 PolarHBondContact O-N 3Å; T4-V7 WeakPolarHBondContact OG1-CG2 3.47Å; E5-V7 VanDerWaalsContact C-N 3.34Å; E5-V7 PolarHBondContact O-N 3.3Å; V7-T9 PolarHBondContact O-N 2.94Å; V7-L10 HydrophobicContact CG1-CD1 4.34Å; V7-L10 VanDerWaalsContact O-CB 3.3Å; V7-L10 WeakPolarHBondContact O-CB 3.47Å; V7-L10 WeakPolarHBondContact O-CG 3.46Å; V7-L10 PolarHBondContact O-N 3.11Å; V7-V59 HydrophobicContact CG1-CG1 4.23Å; V7-V59 HydrophobicContact CG1-CG2 3.96Å; V7-V100 HydrophobicContact CG1-CG1 3.71Å; V7-V100 WeakPolarHBondContact O-CG1 3.48Å; V7-Y104 HydrophobicContact CG1-CD2 4.25Å; V7-Y104 HydrophobicContact CG2-CD2 4.41Å
8L98.7Very high97.7Very high0 Ų058.4 Ų58.40%030%0.304CS..Hα-helixtrans-60-36.7174.9-72.1168.3000112.2C3 T4 E5 L10 F11 H12 V17 L52 C55 F95 V100C3-L8 HydrophobicContact CB-CD2 4.24Å; C3-L8 HydrophobicContact CB-CG 4.2Å; T4-L8 WeakPolarHBondContact O-CG 3.49Å; T4-L8 PolarHBondContact O-N 3.47Å; E5-L8 PolarHBondContact O-N 3.31Å; L8-L10 PolarHBondContact O-N 3.03Å; L8-F11 PolarHBondContact O-N 2.92Å; L8-H12 PolarHBondContact O-N 2.85Å; L8-V17 HydrophobicContact CB-CG1 4.47Å; L8-V17 HydrophobicContact CB-CG2 3.84Å; L8-V17 HydrophobicContact CD1-CG1 3.82Å; L8-V17 HydrophobicContact CD1-CG2 4.43Å; L8-L52 HydrophobicContact CD1-CD2 3.5Å; L8-L52 VanDerWaalsContact CD1-CD2 3.5Å; L8-C55 HydrophobicContact CD2-CB 4.24Å; L8-F95 HydrophobicContact CD1-CD2 4.35Å; L8-F95 HydrophobicContact CD1-CE2 3.99Å; L8-F95 HydrophobicContact CD1-CZ 4.16Å; L8-F95 HydrophobicContact CD2-CB 4.07Å; L8-F95 HydrophobicContact CD2-CD1 4.2Å; L8-F95 HydrophobicContact CD2-CD2 3.75Å; L8-F95 HydrophobicContact CD2-CE2 4.23Å; L8-F95 HydrophobicContact CD2-CG 3.75Å; L8-V100 HydrophobicContact CD2-CG2 4.47Å
9T98.6Very high97.7Very high55 Ų5559.3 Ų59.334%0.33731%0.306SS..THydrogen-bonded Turntrans-73.7-5.1-178.958.50000114.7E5 D6 V7 F11 H12 A14 V17E5-T9 HydrophobicContact CG-CG2 4.24Å; E5-T9 VanDerWaalsContact O-CG2 3.26Å; E5-T9 WeakPolarHBondContact O-CG2 3.45Å; E5-T9 PolarHBondContact O-N 3.37Å; E5-T9 PolarHBondContact O-OG1 2.75Å; D6-T9 WeakPolarHBondContact CA-OG1 3.29Å; D6-T9 PolarHBondContact O-N 3.27Å; D6-T9 PolarHBondContact O-OG1 3.33Å; V7-T9 PolarHBondContact O-N 2.94Å; T9-F11 PolarHBondContact O-N 3.38Å; T9-H12 VanDerWaalsContact CA-O 3.29Å; T9-H12 WeakPolarHBondContact CA-O 2.97Å; T9-A14 HydrophobicContact CG2-CB 3.79Å; T9-V17 HydrophobicContact CG2-CG2 4.37Å
10L98.7Very high97.7Very high88 Ų8856.4 Ų56.446%0.46129%0.29SS..THydrogen-bonded Turntrans-63.1-28167.5-62.4174.8000111.9D6 V7 L8 Y104D6-L10 PolarHBondContact O-N 2.97Å; V7-L10 HydrophobicContact CG1-CD1 4.34Å; V7-L10 VanDerWaalsContact O-CB 3.3Å; V7-L10 WeakPolarHBondContact O-CB 3.47Å; V7-L10 WeakPolarHBondContact O-CG 3.46Å; V7-L10 PolarHBondContact O-N 3.11Å; L8-L10 PolarHBondContact O-N 3.03Å; L10-Y104 HydrophobicContact CD1-CD2 4.4Å
11F98.7Very high97.7Very high65 Ų6555 Ų5529%0.28529%0.288SS..THydrogen-bonded Turntrans-118.7-45.3178.9-170.5-87000113L8 T9 N96 V100L8-F11 PolarHBondContact O-N 2.92Å; T9-F11 PolarHBondContact O-N 3.38Å; F11-N96 HydrophobicContact CD1-CB 3.89Å; F11-N96 HydrophobicContact CE1-CB 3.61Å; F11-N96 HydrophobicContact CZ-CB 4.07Å; F11-V100 HydrophobicContact CB-CG2 3.68Å; F11-V100 HydrophobicContact CG-CG2 4.48Å
12H98.8Very high98.3Very high3 Ų351.9 Ų51.91%0.01427%0.274CS..SBendtrans-90.3158-177.1-65.9-74.6000112.2L8 T9 F16 V17 M85 K86 F95 N96L8-H12 PolarHBondContact O-N 2.85Å; T9-H12 VanDerWaalsContact CA-O 3.29Å; T9-H12 WeakPolarHBondContact CA-O 2.97Å; H12-F16 HydrophobicContact CB-CD1 4.03Å; H12-F16 AromaticContact CG-CD1 3.99Å; H12-F16 AromaticContact ND1-CD1 3.64Å; H12-F16 AromaticContact ND1-CE1 3.59Å; H12-V17 HydrophobicContact CB-CG2 3.89Å; H12-M85 PolarHBondContact CE1-O 3.41Å; H12-M85 PolarHBondContact ND1-O 3.17Å; H12-K86 CarbonylContact C-O 3.58Å; H12-K86 WeakPolarHBondContact CA-O 3.33Å; H12-F95 AromaticContact CD2-CD1 3.7Å; H12-F95 WeakPolarHBondContact NE2-CA 3.29Å; H12-F95 AromaticContact NE2-CD1 3.78Å; H12-N96 PolarHBondContact CE1-N 3.42Å; H12-N96 PolarHBondContact NE2-N 3.05Å
13S98.7Very high98.4Very high24 Ų2448.7 Ų48.717%0.16825%0.253CS..  trans-73.1147.9167.771.90000111.4E15 F16 V17 K86 N87S13-E15 PolarHBondContact O-N 3.41Å; S13-F16 PolarHBondContact O-N 3.27Å; S13-F16 VanDerWaalsContact O-N 3.09Å; S13-F16 VanDerWaalsContact OG-CB 3.32Å; S13-F16 WeakPolarHBondContact OG-CB 3.26Å; S13-F16 PolarHBondContact OG-N 3Å; S13-F16 VanDerWaalsContact OG-N 3.09Å; S13-V17 WeakPolarHBondContact O-CG2 3.48Å; S13-V17 PolarHBondContact O-N 3.4Å; S13-K86 PolarHBondContact N-O 3.21Å; S13-N87 WeakPolarHBondContact CB-OD1 3.47Å; S13-N87 PolarHBondContact OG-OD1 3.01Å
14A98.5Very high98.3Very high36 Ų3651.9 Ų51.930%0.29827%0.267SS..Hα-helixtrans-61.8-31.4174.900000112.2T9 R18T9-A14 HydrophobicContact CG2-CB 3.79Å; A14-R18 VanDerWaalsContact CB-NH1 3.33Å; A14-R18 WeakPolarHBondContact O-CG 3.34Å; A14-R18 VanDerWaalsContact O-CZ 3.29Å; A14-R18 PolarHBondContact O-N 2.57Å; A14-R18 VanDerWaalsContact O-N 3.09Å; A14-R18 PolarHBondContact O-NH1 3.31Å
15E98.5Very high98.3Very high121 Ų12158.9 Ų58.957%0.56529%0.286SS*.Hα-helixtrans-62.1-46172.7-169.5-156.4132.800111.3S13 R18 K19S13-E15 PolarHBondContact O-N 3.41Å; E15-R18 PolarHBondContact O-N 3Å; E15-K19 VanDerWaalsContact O-CB 3.31Å; E15-K19 WeakPolarHBondContact O-CB 3.29Å; E15-K19 PolarHBondContact O-N 2.96Å; E15-K19 WeakPolarHBondContact OE1-CE 3.38Å; E15-K19 IonicContact OE1-NZ 3.18Å; E15-K19 PolarHBondContact OE1-NZ 3.29Å
16F98.3Very high98.3Very high2 Ų257.2 Ų57.21%0.00928%0.278CS..Hα-helixtrans-64.6-45.4178.5176.8-109.7000111.9H12 S13 R18 K19 I20 N87 S89 F95H12-F16 HydrophobicContact CB-CD1 4.03Å; H12-F16 AromaticContact CG-CD1 3.99Å; H12-F16 AromaticContact ND1-CD1 3.64Å; H12-F16 AromaticContact ND1-CE1 3.59Å; S13-F16 PolarHBondContact O-N 3.27Å; S13-F16 VanDerWaalsContact O-N 3.09Å; S13-F16 VanDerWaalsContact OG-CB 3.32Å; S13-F16 WeakPolarHBondContact OG-CB 3.26Å; S13-F16 PolarHBondContact OG-N 3Å; S13-F16 VanDerWaalsContact OG-N 3.09Å; F16-R18 VanDerWaalsContact C-N 3.32Å; F16-R18 PolarHBondContact O-N 3.19Å; F16-K19 WeakPolarHBondContact O-CB 3.43Å; F16-K19 PolarHBondContact O-N 3.21Å; F16-K19 VanDerWaalsContact O-N 3.11Å; F16-I20 HydrophobicContact CD2-CD1 4.44Å; F16-I20 HydrophobicContact CD2-CG1 4.25Å; F16-I20 HydrophobicContact CE1-CG1 4.09Å; F16-I20 HydrophobicContact CE2-CD1 3.71Å; F16-I20 HydrophobicContact CE2-CG1 3.77Å; F16-I20 HydrophobicContact CZ-CD1 3.9Å; F16-I20 HydrophobicContact CZ-CG1 3.69Å; F16-I20 WeakPolarHBondContact O-CG1 3.3Å; F16-I20 PolarHBondContact O-N 3.09Å; F16-N87 WeakPolarHBondContact CD2-O 3.16Å; F16-S89 WeakPolarHBondContact CZ-OG 3.25Å; F16-F95 HydrophobicContact CD1-CD1 4.47Å; F16-F95 HydrophobicContact CD1-CE1 4.15Å; F16-F95 AromaticContact CE1-CD1 3.91Å; F16-F95 HydrophobicContact CE1-CD1 3.91Å; F16-F95 AromaticContact CE1-CE1 3.84Å; F16-F95 HydrophobicContact CE1-CE1 3.84Å
17V98.7Very high98.3Very high0 Ų054.4 Ų54.40%027%0.267CS..Hα-helixtrans-57.4-46.2177.8176.90000111E5 L8 T9 H12 S13 K19 I20 A21 F95E5-V17 HydrophobicContact CG-CG1 4Å; L8-V17 HydrophobicContact CB-CG1 4.47Å; L8-V17 HydrophobicContact CB-CG2 3.84Å; L8-V17 HydrophobicContact CD1-CG1 3.82Å; L8-V17 HydrophobicContact CD1-CG2 4.43Å; T9-V17 HydrophobicContact CG2-CG2 4.37Å; H12-V17 HydrophobicContact CB-CG2 3.89Å; S13-V17 WeakPolarHBondContact O-CG2 3.48Å; S13-V17 PolarHBondContact O-N 3.4Å; V17-K19 PolarHBondContact O-N 3.24Å; V17-I20 PolarHBondContact O-N 3.26Å; V17-A21 PolarHBondContact O-N 3.35Å; V17-F95 HydrophobicContact CG1-CZ 4.37Å; V17-F95 HydrophobicContact CG2-CE1 4.09Å
18R98.2Very high98.3Very high126 Ų12661.8 Ų61.848%0.47529%0.293SS..Hα-helixtrans-65.1-37.7176.2-72-172.1-66.9-88.44.5113E5 A14 E15 F16 I20 A21 L22E5-R18 IonicContact OE1-NH1 3.21Å; E5-R18 PolarHBondContact OE1-NH1 2.9Å; A14-R18 VanDerWaalsContact CB-NH1 3.33Å; A14-R18 WeakPolarHBondContact O-CG 3.34Å; A14-R18 VanDerWaalsContact O-CZ 3.29Å; A14-R18 PolarHBondContact O-N 2.57Å; A14-R18 VanDerWaalsContact O-N 3.09Å; A14-R18 PolarHBondContact O-NH1 3.31Å; E15-R18 PolarHBondContact O-N 3Å; F16-R18 VanDerWaalsContact C-N 3.32Å; F16-R18 PolarHBondContact O-N 3.19Å; R18-I20 VanDerWaalsContact C-N 3.35Å; R18-A21 WeakPolarHBondContact O-CB 3.42Å; R18-A21 PolarHBondContact O-N 3.18Å; R18-L22 WeakPolarHBondContact O-CG 3.02Å; R18-L22 PolarHBondContact O-N 3.45Å; R18-L22 VanDerWaalsContact O-N 3.08Å
19K97.9Very high98.3Very high76 Ų7667 Ų6733%0.3332%0.318SS..Hα-helixtrans-61.8-42.3176.8-173.1177.9-58.1173.90111.8E15 F16 V17 F34E15-K19 VanDerWaalsContact O-CB 3.31Å; E15-K19 WeakPolarHBondContact O-CB 3.29Å; E15-K19 PolarHBondContact O-N 2.96Å; E15-K19 WeakPolarHBondContact OE1-CE 3.38Å; E15-K19 IonicContact OE1-NZ 3.18Å; E15-K19 PolarHBondContact OE1-NZ 3.29Å; F16-K19 WeakPolarHBondContact O-CB 3.43Å; F16-K19 PolarHBondContact O-N 3.21Å; F16-K19 VanDerWaalsContact O-N 3.11Å; V17-K19 PolarHBondContact O-N 3.24Å; K19-F34 HydrophobicContact CG-CE2 4.06Å; K19-F34 HydrophobicContact CG-CZ 4.22Å
20I98.2Very high98.2Very high0 Ų068.6 Ų68.60%032%0.321CS..Hα-helixtrans-68.6-40.2173-58.7-52.5000110.9F16 V17 R18 L22 T23 F34 Y48 I94 F95F16-I20 HydrophobicContact CD2-CD1 4.44Å; F16-I20 HydrophobicContact CD2-CG1 4.25Å; F16-I20 HydrophobicContact CE1-CG1 4.09Å; F16-I20 HydrophobicContact CE2-CD1 3.71Å; F16-I20 HydrophobicContact CE2-CG1 3.77Å; F16-I20 HydrophobicContact CZ-CD1 3.9Å; F16-I20 HydrophobicContact CZ-CG1 3.69Å; F16-I20 WeakPolarHBondContact O-CG1 3.3Å; F16-I20 PolarHBondContact O-N 3.09Å; V17-I20 PolarHBondContact O-N 3.26Å; R18-I20 VanDerWaalsContact C-N 3.35Å; I20-L22 PolarHBondContact O-N 2.82Å; I20-T23 WeakPolarHBondContact O-CB 3.48Å; I20-T23 WeakPolarHBondContact O-CG2 3.49Å; I20-T23 PolarHBondContact O-N 2.92Å; I20-T23 PolarHBondContact O-OG1 2.92Å; I20-F34 HydrophobicContact CD1-CE1 4.09Å; I20-F34 HydrophobicContact CD1-CZ 3.91Å; I20-Y48 HydrophobicContact CG2-CD2 3.78Å; I20-I94 HydrophobicContact CG1-CG2 4.42Å; I20-I94 HydrophobicContact CG2-CG2 3.6Å; I20-F95 HydrophobicContact CB-CE1 4.41Å; I20-F95 HydrophobicContact CB-CZ 4.02Å; I20-F95 HydrophobicContact CG1-CE1 4.26Å; I20-F95 HydrophobicContact CG1-CZ 4.37Å; I20-F95 HydrophobicContact CG2-CE2 4.46Å; I20-F95 HydrophobicContact CG2-CZ 4Å
21A98.3Very high98.2Very high28 Ų2864.8 Ų64.823%0.23130%0.301CS..Hα-helixtrans-58-34.4178.100000113V17 R18 T23 E24 Y48V17-A21 PolarHBondContact O-N 3.35Å; R18-A21 WeakPolarHBondContact O-CB 3.42Å; R18-A21 PolarHBondContact O-N 3.18Å; A21-T23 PolarHBondContact O-N 3.34Å; A21-E24 WeakPolarHBondContact O-CB 3.41Å; A21-E24 PolarHBondContact O-N 2.92Å; A21-Y48 HydrophobicContact CB-CD1 4.33Å; A21-Y48 HydrophobicContact CB-CD2 4.5Å; A21-Y48 HydrophobicContact CB-CE1 3.72Å; A21-Y48 HydrophobicContact CB-CE2 3.9Å; A21-Y48 VanDerWaalsContact CB-CZ 3.47Å
22L97.8Very high98.2Very high109 Ų10965.8 Ų65.857%0.57131%0.307SS*.G310 helixtrans-64.2-21.6175.8-68.9171.9000113.4R18 I20 E24 R25 M26R18-L22 WeakPolarHBondContact O-CG 3.02Å; R18-L22 PolarHBondContact O-N 3.45Å; R18-L22 VanDerWaalsContact O-N 3.08Å; I20-L22 PolarHBondContact O-N 2.82Å; L22-E24 PolarHBondContact O-N 3.11Å; L22-R25 PolarHBondContact O-N 3.3Å; L22-M26 HydrophobicContact CB-CE 4.39Å
23T98.2Very high98.2Very high0 Ų072.9 Ų72.90%033%0.334CS..G310 helixtrans-68.5-22.2-178.674.30000112.5I20 A21 R25 M26 L31 F34 L43I20-T23 WeakPolarHBondContact O-CB 3.48Å; I20-T23 WeakPolarHBondContact O-CG2 3.49Å; I20-T23 PolarHBondContact O-N 2.92Å; I20-T23 PolarHBondContact O-OG1 2.92Å; A21-T23 PolarHBondContact O-N 3.34Å; T23-R25 PolarHBondContact O-N 3.49Å; T23-R25 VanDerWaalsContact O-N 3.13Å; T23-M26 HydrophobicContact CG2-CE 4.47Å; T23-M26 HydrophobicContact CG2-SD 4.12Å; T23-M26 PolarHBondContact O-N 3.2Å; T23-L31 HydrophobicContact CG2-CD2 4.41Å; T23-L31 WeakPolarHBondContact O-CD2 3.32Å; T23-F34 HydrophobicContact CG2-CD1 4.05Å; T23-F34 HydrophobicContact CG2-CD2 3.97Å; T23-F34 HydrophobicContact CG2-CE1 3.81Å; T23-F34 HydrophobicContact CG2-CE2 3.78Å; T23-F34 HydrophobicContact CG2-CG 4.16Å; T23-F34 HydrophobicContact CG2-CZ 3.71Å; T23-L43 HydrophobicContact CG2-CD1 3.89Å
24E97.8Very high98.1Very high76 Ų7672.1 Ų72.136%0.35533%0.327SS..G310 helixtrans-58.9-25.2176.8-176172.4-13900112.8A21 L22 Y48 Q49A21-E24 WeakPolarHBondContact O-CB 3.41Å; A21-E24 PolarHBondContact O-N 2.92Å; L22-E24 PolarHBondContact O-N 3.11Å; E24-Y48 HydrophobicContact CB-CD1 4.41Å; E24-Q49 WeakPolarHBondContact OE1-CG 3.43Å; E24-Q49 PolarHBondContact OE1-NE2 2.86Å
25R97.6Very high98.1Very high217 Ų21770.9 Ų70.982%0.81932%0.316SS*.G310 helixtrans-103.31-177.6-59.8-177.9-179.2179.3-0.4114L22 T23L22-R25 PolarHBondContact O-N 3.3Å; T23-R25 PolarHBondContact O-N 3.49Å; T23-R25 VanDerWaalsContact O-N 3.13Å
26M98.1Very high98Very high51 Ų5171.4 Ų71.425%0.25132%0.323SS..  trans-81.8145.5-176.7-72.8-179.5-176.500111.5L22 T23 E30 L31 F34L22-M26 HydrophobicContact CB-CE 4.39Å; T23-M26 HydrophobicContact CG2-CE 4.47Å; T23-M26 HydrophobicContact CG2-SD 4.12Å; T23-M26 PolarHBondContact O-N 3.2Å; M26-E30 WeakPolarHBondContact CA-OE2 3.3Å; M26-E30 HydrophobicContact CB-CB 3.79Å; M26-E30 HydrophobicContact CG-CB 4.12Å; M26-E30 HydrophobicContact SD-CB 4.48Å; M26-L31 HydrophobicContact CB-CD2 3.81Å; M26-L31 HydrophobicContact CB-CG 3.74Å; M26-L31 HydrophobicContact SD-CD2 4.26Å; M26-F34 HydrophobicContact CE-CD2 3.88Å; M26-F34 HydrophobicContact CE-CE2 4.41Å; M26-F34 HydrophobicContact SD-CB 4.19Å; M26-F34 HydrophobicContact SD-CD2 3.93Å; M26-F34 HydrophobicContact SD-CG 4.28Å
27S98Very high97.9Very high48 Ų4878.5 Ų78.534%0.33635%0.35SS..  trans-65.1167.7167.293.10000111.2E29 E30 L31S27-E29 VanDerWaalsContact C-N 3.31Å; S27-E29 PolarHBondContact O-N 3.26Å; S27-E29 PolarHBondContact OG-N 2.96Å; S27-E29 PolarHBondContact OG-OE2 3.34Å; S27-E30 PolarHBondContact N-OE2 2.93Å; S27-E30 PolarHBondContact O-N 3.23Å; S27-E30 PolarHBondContact OG-N 3.39Å; S27-L31 WeakPolarHBondContact O-CB 3.32Å; S27-L31 VanDerWaalsContact O-CG 3.31Å; S27-L31 WeakPolarHBondContact O-CG 3.35Å; S27-L31 PolarHBondContact O-N 2.59Å
28R97.9Very high97.9Very high173 Ų17380 Ų8065%0.65336%0.355SS*.Hα-helixtrans-57.3-44.1175.6-171.8173.5-173.8-73.7-14.4112L31 E32R28-L31 PolarHBondContact O-N 3.49Å; R28-E32 IonicContact CZ-OE1 2.83Å; R28-E32 IonicContact NH1-OE1 3.1Å; R28-E32 PolarHBondContact NH1-OE1 2.83Å; R28-E32 IonicContact NH1-OE2 2.65Å; R28-E32 IonicContact NH2-OE1 3.87Å; R28-E32 PolarHBondContact NH2-OE1 2.85Å; R28-E32 WeakPolarHBondContact O-CG 3.47Å; R28-E32 PolarHBondContact O-N 3.09Å
29E98.1Very high97.9Very high110 Ų11078.8 Ų78.851%0.51436%0.359SS..Hα-helixtrans-70.2-31.8179.4-56.575.6-163.100112.5S27 R33S27-E29 VanDerWaalsContact C-N 3.31Å; S27-E29 PolarHBondContact O-N 3.26Å; S27-E29 PolarHBondContact OG-N 2.96Å; S27-E29 PolarHBondContact OG-OE2 3.34Å; E29-R33 WeakPolarHBondContact O-CG 3.26Å; E29-R33 PolarHBondContact O-N 3.05Å; E29-R33 PolarHBondContact O-NE 3.46Å
30E98.2Very high97.9Very high88 Ų8878.1 Ų78.141%0.41136%0.363SS..Hα-helixtrans-69.6-41172.2-70.4177.1142.600111.4M26 S27 F34M26-E30 WeakPolarHBondContact CA-OE2 3.3Å; M26-E30 HydrophobicContact CB-CB 3.79Å; M26-E30 HydrophobicContact CG-CB 4.12Å; M26-E30 HydrophobicContact SD-CB 4.48Å; S27-E30 PolarHBondContact N-OE2 2.93Å; S27-E30 PolarHBondContact O-N 3.23Å; S27-E30 PolarHBondContact OG-N 3.39Å; E30-F34 VanDerWaalsContact O-CB 3.25Å; E30-F34 WeakPolarHBondContact O-CB 3.45Å; E30-F34 PolarHBondContact O-N 2.89Å
31L98.5Very high97.9Very high8 Ų879 Ų794%0.04237%0.368CS..Hα-helixtrans-64.4-43.5175.1-73.1172.5000112.2T23 M26 S27 R28 F34 C35 L43T23-L31 HydrophobicContact CG2-CD2 4.41Å; T23-L31 WeakPolarHBondContact O-CD2 3.32Å; M26-L31 HydrophobicContact CB-CD2 3.81Å; M26-L31 HydrophobicContact CB-CG 3.74Å; M26-L31 HydrophobicContact SD-CD2 4.26Å; S27-L31 WeakPolarHBondContact O-CB 3.32Å; S27-L31 VanDerWaalsContact O-CG 3.31Å; S27-L31 WeakPolarHBondContact O-CG 3.35Å; S27-L31 PolarHBondContact O-N 2.59Å; R28-L31 PolarHBondContact O-N 3.49Å; L31-F34 WeakPolarHBondContact O-CB 3.3Å; L31-F34 PolarHBondContact O-N 3.09Å; L31-F34 VanDerWaalsContact O-N 3.16Å; L31-C35 WeakPolarHBondContact O-CB 3.4Å; L31-C35 PolarHBondContact O-N 3.38Å; L31-C35 PolarHBondContact O-SG 3.11Å; L31-L43 HydrophobicContact CD2-CB 3.98Å
32E98Very high97.9Very high86 Ų8685 Ų8540%0.40239%0.386SS..Hα-helixtrans-58-53.3175.6-75.7173.7165.400110.5R28 F34 C35 D36R28-E32 IonicContact CZ-OE1 2.83Å; R28-E32 IonicContact NH1-OE1 3.1Å; R28-E32 PolarHBondContact NH1-OE1 2.83Å; R28-E32 IonicContact NH1-OE2 2.65Å; R28-E32 IonicContact NH2-OE1 3.87Å; R28-E32 PolarHBondContact NH2-OE1 2.85Å; R28-E32 WeakPolarHBondContact O-CG 3.47Å; R28-E32 PolarHBondContact O-N 3.09Å; E32-F34 PolarHBondContact O-N 3.37Å; E32-C35 PolarHBondContact O-N 2.96Å; E32-D36 VanDerWaalsContact O-CG 3.31Å; E32-D36 PolarHBondContact O-N 3.48Å
33R98.1Very high97.9Very high152 Ų15280.8 Ų80.857%0.57436%0.364SS*.Hα-helixtrans-61.6-29.4175.3-71-179.3-69.9-177.51.5113.5E29 R37E29-R33 WeakPolarHBondContact O-CG 3.26Å; E29-R33 PolarHBondContact O-N 3.05Å; E29-R33 PolarHBondContact O-NE 3.46Å; R33-R37 PolarHBondContact O-NH1 2.94Å
34F97.7Very high97.9Very high8 Ų883.5 Ų83.54%0.03538%0.382CS..Hα-helixtrans-66.7-46.6174.1-179.2-78000110.9K19 I20 T23 M26 E30 L31 E32 R37 Y38 L43K19-F34 HydrophobicContact CG-CE2 4.06Å; K19-F34 HydrophobicContact CG-CZ 4.22Å; I20-F34 HydrophobicContact CD1-CE1 4.09Å; I20-F34 HydrophobicContact CD1-CZ 3.91Å; T23-F34 HydrophobicContact CG2-CD1 4.05Å; T23-F34 HydrophobicContact CG2-CD2 3.97Å; T23-F34 HydrophobicContact CG2-CE1 3.81Å; T23-F34 HydrophobicContact CG2-CE2 3.78Å; T23-F34 HydrophobicContact CG2-CG 4.16Å; T23-F34 HydrophobicContact CG2-CZ 3.71Å; M26-F34 HydrophobicContact CE-CD2 3.88Å; M26-F34 HydrophobicContact CE-CE2 4.41Å; M26-F34 HydrophobicContact SD-CB 4.19Å; M26-F34 HydrophobicContact SD-CD2 3.93Å; M26-F34 HydrophobicContact SD-CG 4.28Å; E30-F34 VanDerWaalsContact O-CB 3.25Å; E30-F34 WeakPolarHBondContact O-CB 3.45Å; E30-F34 PolarHBondContact O-N 2.89Å; L31-F34 WeakPolarHBondContact O-CB 3.3Å; L31-F34 PolarHBondContact O-N 3.09Å; L31-F34 VanDerWaalsContact O-N 3.16Å; E32-F34 PolarHBondContact O-N 3.37Å; F34-R37 VanDerWaalsContact CE2-NH2 3.27Å; F34-R37 VanDerWaalsContact CG-NH2 3.26Å; F34-R37 PolarHBondContact O-NH2 3.16Å; F34-Y38 HydrophobicContact CD1-CD2 4.39Å; F34-Y38 AromaticContact CD1-CE2 3.85Å; F34-Y38 HydrophobicContact CD1-CE2 3.85Å; F34-Y38 HydrophobicContact CE1-CD2 4.17Å; F34-Y38 AromaticContact CE1-CE2 3.35Å; F34-Y38 HydrophobicContact CE1-CE2 3.35Å; F34-Y38 AromaticContact CZ-CE2 3.83Å; F34-Y38 HydrophobicContact CZ-CE2 3.83Å; F34-Y38 WeakPolarHBondContact O-CD2 3.36Å; F34-Y38 WeakPolarHBondContact O-CE2 3.37Å; F34-L43 HydrophobicContact CD1-CD1 3.8Å; F34-L43 HydrophobicContact CE1-CD1 3.85Å
35C98Very high97.8Very high10 Ų1082.4 Ų82.47%0.06838%0.383CS..Hα-helixtrans-71.6-30.6-175.9-66.80000113.1L31 E32 R37 Y38 V41 L43L31-C35 WeakPolarHBondContact O-CB 3.4Å; L31-C35 PolarHBondContact O-N 3.38Å; L31-C35 PolarHBondContact O-SG 3.11Å; E32-C35 PolarHBondContact O-N 2.96Å; C35-R37 PolarHBondContact O-N 3.49Å; C35-Y38 PolarHBondContact O-N 3.27Å; C35-V41 WeakPolarHBondContact CB-O 3.31Å; C35-L43 VanDerWaalsContact SG-CG 3.58Å; C35-L43 PolarHBondContact SG-N 3.47Å
36D97.4Very high97.8Very high132 Ų13277.2 Ų77.271%0.70637%0.368SS*.THydrogen-bonded Turntrans-56-16.2177.4-71.9-19.7000114.4E32 Y38E32-D36 VanDerWaalsContact O-CG 3.31Å; E32-D36 PolarHBondContact O-N 3.48Å; D36-Y38 VanDerWaalsContact C-N 3.34Å
37R96.2Very high97.9Very high151 Ų15175.3 Ų75.357%0.5736%0.359SS*.THydrogen-bonded Turntrans-85.7-4.6177.2-60.3-173.6-62.8-95.31.1114.1R33 F34 C35R33-R37 PolarHBondContact O-NH1 2.94Å; F34-R37 VanDerWaalsContact CE2-NH2 3.27Å; F34-R37 VanDerWaalsContact CG-NH2 3.26Å; F34-R37 PolarHBondContact O-NH2 3.16Å; C35-R37 PolarHBondContact O-N 3.49Å
38Y97.5Very high97.9Very high31 Ų3174.4 Ų74.412%0.12235%0.349CS..SBendtrans-123.2149.5-174.5-60.3-79.2000110.1F34 C35 D36 S40 E88 S89F34-Y38 HydrophobicContact CD1-CD2 4.39Å; F34-Y38 AromaticContact CD1-CE2 3.85Å; F34-Y38 HydrophobicContact CD1-CE2 3.85Å; F34-Y38 HydrophobicContact CE1-CD2 4.17Å; F34-Y38 AromaticContact CE1-CE2 3.35Å; F34-Y38 HydrophobicContact CE1-CE2 3.35Å; F34-Y38 AromaticContact CZ-CE2 3.83Å; F34-Y38 HydrophobicContact CZ-CE2 3.83Å; F34-Y38 WeakPolarHBondContact O-CD2 3.36Å; F34-Y38 WeakPolarHBondContact O-CE2 3.37Å; C35-Y38 PolarHBondContact O-N 3.27Å; D36-Y38 VanDerWaalsContact C-N 3.34Å; Y38-S40 PolarHBondContact O-N 3.4Å; Y38-E88 HydrophobicContact CD1-CG 3.63Å; Y38-E88 HydrophobicContact CE1-CG 3.81Å; Y38-S89 WeakPolarHBondContact CD1-O 3.47Å
39D97.8Very high97.9Very high101 Ų10169.4 Ų69.454%0.5433%0.333SS..THydrogen-bonded Turntrans-78.1118.2175.5-174.85.5000110.6V41 G91D39-V41 PolarHBondContact O-N 3.41Å; D39-G91 PolarHBondContact O-N 2.94Å
40S97.8Very high97.9Very high62 Ų6266 Ų6643%0.43432%0.321SS..THydrogen-bonded Turntrans56.847.3171.9-57.70000113.3Y38 F92Y38-S40 PolarHBondContact O-N 3.4Å; S40-F92 WeakPolarHBondContact O-CD1 3.45Å; S40-F92 WeakPolarHBondContact O-CE1 3.42Å; S40-F92 PolarHBondContact O-N 3.29Å
41V98.4Very high97.9Very high17 Ų1761.8 Ų61.810%0.10330%0.301CS..  trans-117.8141.6175.4178.20000109.8C35 D39 L43C35-V41 WeakPolarHBondContact CB-O 3.31Å; D39-V41 PolarHBondContact O-N 3.41Å; V41-L43 HydrophobicContact CG1-CD2 4.4Å; V41-L43 HydrophobicContact CG1-CG 4.3Å
42Y98.3Very high97.9Very high156 Ų15662 Ų6261%0.61230%0.303SS*.  trans-139.2147.3168.765.1-87.5000109F92Y42-F92 HydrophobicContact CD1-CD1 4.06Å; Y42-F92 AromaticContact CE1-CD1 3.78Å; Y42-F92 HydrophobicContact CE1-CD1 3.78Å; Y42-F92 HydrophobicContact CE1-CE1 4.34Å
43L98.3Very high98Very high20 Ų2061.8 Ų61.811%0.10530%0.304CS..  trans-133.9149.3-177.4-61.6175.9000110.8T23 L31 F34 C35 V41 S47 I94T23-L43 HydrophobicContact CG2-CD1 3.89Å; L31-L43 HydrophobicContact CD2-CB 3.98Å; F34-L43 HydrophobicContact CD1-CD1 3.8Å; F34-L43 HydrophobicContact CE1-CD1 3.85Å; C35-L43 VanDerWaalsContact SG-CG 3.58Å; C35-L43 PolarHBondContact SG-N 3.47Å; V41-L43 HydrophobicContact CG1-CD2 4.4Å; V41-L43 HydrophobicContact CG1-CG 4.3Å; L43-S47 WeakPolarHBondContact CA-OG 3.5Å; L43-I94 HydrophobicContact CD2-CD1 3.48Å; L43-I94 VanDerWaalsContact CD2-CD1 3.48Å; L43-I94 HydrophobicContact CD2-CG1 3.88Å
44C97.9Very high98Very high56 Ų5654.7 Ų54.738%0.37828%0.278SS..  trans-118.5175159.366.50000109E46 S47C44-E46 PolarHBondContact O-N 2.96Å; C44-E46 PolarHBondContact SG-OE2 2.83Å; C44-S47 PolarHBondContact N-OG 3.47Å; C44-S47 VanDerWaalsContact O-CB 3.27Å; C44-S47 WeakPolarHBondContact O-CB 3.4Å; C44-S47 PolarHBondContact O-N 2.88Å; C44-S47 PolarHBondContact O-OG 3.32Å
45C96.5Very high98.1Very high54 Ų5454.3 Ų54.337%0.36528%0.276SS..THydrogen-bonded Turntrans-61.1-29-179.348.40000112.6
46E98Very high98.1Very high108 Ų10854 Ų5451%0.50528%0.275SS..THydrogen-bonded Turntrans-83-9.9176.7-55.380.1-174.500114.2C44 Y48 Q49 C50C44-E46 PolarHBondContact O-N 2.96Å; C44-E46 PolarHBondContact SG-OE2 2.83Å; E46-Y48 VanDerWaalsContact C-N 3.27Å; E46-Y48 PolarHBondContact O-N 3.1Å; E46-Q49 PolarHBondContact O-N 3.21Å; E46-Q49 VanDerWaalsContact O-N 3.16Å; E46-C50 PolarHBondContact O-N 3.14Å
47S98.4Very high98.2Very high11 Ų1149.5 Ų49.58%0.07726%0.256CS..Hα-helixtrans-57.8-38.4-173.9-76.30000112.9L43 C44 C50 A51L43-S47 WeakPolarHBondContact CA-OG 3.5Å; C44-S47 PolarHBondContact N-OG 3.47Å; C44-S47 VanDerWaalsContact O-CB 3.27Å; C44-S47 WeakPolarHBondContact O-CB 3.4Å; C44-S47 PolarHBondContact O-N 2.88Å; C44-S47 PolarHBondContact O-OG 3.32Å; S47-C50 PolarHBondContact O-N 2.96Å; S47-A51 WeakPolarHBondContact O-CB 3.33Å; S47-A51 PolarHBondContact O-N 2.85Å
48Y98.5Very high98.3Very high28 Ų2843.5 Ų43.511%0.1124%0.236CC..Hα-helixtrans-61.5-51.8176.9174.4-123.6000111.2I20 A21 E24 E46 C50 A51 L52 F95I20-Y48 HydrophobicContact CG2-CD2 3.78Å; A21-Y48 HydrophobicContact CB-CD1 4.33Å; A21-Y48 HydrophobicContact CB-CD2 4.5Å; A21-Y48 HydrophobicContact CB-CE1 3.72Å; A21-Y48 HydrophobicContact CB-CE2 3.9Å; A21-Y48 VanDerWaalsContact CB-CZ 3.47Å; E24-Y48 HydrophobicContact CB-CD1 4.41Å; E46-Y48 VanDerWaalsContact C-N 3.27Å; E46-Y48 PolarHBondContact O-N 3.1Å; Y48-C50 VanDerWaalsContact C-N 3.34Å; Y48-C50 PolarHBondContact O-N 2.86Å; Y48-A51 WeakPolarHBondContact O-CB 3.46Å; Y48-A51 PolarHBondContact O-N 3Å; Y48-A51 VanDerWaalsContact O-N 3.08Å; Y48-L52 HydrophobicContact CD1-CD1 4.4Å; Y48-L52 HydrophobicContact CD2-CD2 4.4Å; Y48-L52 HydrophobicContact CD2-CG 4.3Å; Y48-L52 HydrophobicContact CE1-CD1 3.83Å; Y48-L52 HydrophobicContact CE1-CG 4.42Å; Y48-L52 HydrophobicContact CE2-CD1 4.18Å; Y48-L52 HydrophobicContact CE2-CD2 3.72Å; Y48-L52 HydrophobicContact CE2-CG 3.96Å; Y48-L52 WeakPolarHBondContact O-CG 3.29Å; Y48-L52 PolarHBondContact O-N 3.14Å; Y48-F95 HydrophobicContact CD2-CE2 4.15Å; Y48-F95 HydrophobicContact CD2-CZ 4.37Å; Y48-F95 HydrophobicContact CE2-CE2 4.03Å; Y48-F95 HydrophobicContact CE2-CZ 4.1Å
49Q98.2Very high98.3Very high68 Ų6842.3 Ų42.332%0.31823%0.232SC..Hα-helixtrans-62.8-38.8178.5-63.6-59.4-27.900112.3E24 E46 A51 L52 N53E24-Q49 WeakPolarHBondContact OE1-CG 3.43Å; E24-Q49 PolarHBondContact OE1-NE2 2.86Å; E46-Q49 PolarHBondContact O-N 3.21Å; E46-Q49 VanDerWaalsContact O-N 3.16Å; Q49-A51 VanDerWaalsContact C-N 3.34Å; Q49-A51 PolarHBondContact O-N 3.1Å; Q49-L52 PolarHBondContact O-N 3.38Å; Q49-N53 PolarHBondContact O-N 3.21Å; Q49-N53 PolarHBondContact O-ND2 2.93Å
50C98.5Very high98.4Very high38 Ų3841.3 Ų41.326%0.25722%0.224SC..Hα-helixtrans-59.9-43.8172.3-71.40000111.8E46 S47 Y48 N53 A54E46-C50 PolarHBondContact O-N 3.14Å; S47-C50 PolarHBondContact O-N 2.96Å; Y48-C50 VanDerWaalsContact C-N 3.34Å; Y48-C50 PolarHBondContact O-N 2.86Å; C50-N53 PolarHBondContact O-N 3.37Å; C50-A54 WeakPolarHBondContact O-CB 3.46Å; C50-A54 PolarHBondContact O-N 2.88Å
51A98.7Very high98.4Very high1 Ų139.1 Ų39.11%0.00821%0.209CC..Hα-helixtrans-65.5-39.5178.300000112.6S47 Y48 Q49 N53 A54 C55 I94 F95S47-A51 WeakPolarHBondContact O-CB 3.33Å; S47-A51 PolarHBondContact O-N 2.85Å; Y48-A51 WeakPolarHBondContact O-CB 3.46Å; Y48-A51 PolarHBondContact O-N 3Å; Y48-A51 VanDerWaalsContact O-N 3.08Å; Q49-A51 VanDerWaalsContact C-N 3.34Å; Q49-A51 PolarHBondContact O-N 3.1Å; A51-N53 VanDerWaalsContact C-N 3.35Å; A51-N53 PolarHBondContact O-N 3.25Å; A51-A54 PolarHBondContact O-N 3.08Å; A51-C55 WeakPolarHBondContact O-CB 3.27Å; A51-C55 PolarHBondContact O-N 3.4Å; A51-I94 HydrophobicContact CB-CB 3.87Å; A51-I94 HydrophobicContact CB-CD1 3.96Å; A51-I94 HydrophobicContact CB-CG2 3.81Å; A51-F95 HydrophobicContact CB-CD2 3.78Å; A51-F95 HydrophobicContact CB-CE2 4.15Å
52L98.8Very high98.4Very high13 Ų1340 Ų407%0.06822%0.215CC..Hα-helixtrans-59.3-46.6173-64.4-173.4000111.3P2 C3 L8 Y48 Q49 G56 F95P2-L52 HydrophobicContact CB-CB 4.06Å; C3-L52 WeakPolarHBondContact CB-O 3.35Å; C3-L52 PolarHBondContact N-O 2.99Å; L8-L52 HydrophobicContact CD1-CD2 3.5Å; L8-L52 VanDerWaalsContact CD1-CD2 3.5Å; Y48-L52 HydrophobicContact CD1-CD1 4.4Å; Y48-L52 HydrophobicContact CD2-CD2 4.4Å; Y48-L52 HydrophobicContact CD2-CG 4.3Å; Y48-L52 HydrophobicContact CE1-CD1 3.83Å; Y48-L52 HydrophobicContact CE1-CG 4.42Å; Y48-L52 HydrophobicContact CE2-CD1 4.18Å; Y48-L52 HydrophobicContact CE2-CD2 3.72Å; Y48-L52 HydrophobicContact CE2-CG 3.96Å; Y48-L52 WeakPolarHBondContact O-CG 3.29Å; Y48-L52 PolarHBondContact O-N 3.14Å; Q49-L52 PolarHBondContact O-N 3.38Å; L52-G56 PolarHBondContact O-N 3.2Å; L52-F95 HydrophobicContact CD2-CE2 4.05Å
53N98.7Very high98.4Very high80 Ų8036.2 Ų36.243%0.42820%0.202SC..Hα-helixtrans-65.1-39.4178.1-75-43.8000112.4P2 Q49 C50 A51 A57P2-N53 WeakPolarHBondContact CG-OD1 3.42Å; Q49-N53 PolarHBondContact O-N 3.21Å; Q49-N53 PolarHBondContact O-ND2 2.93Å; C50-N53 PolarHBondContact O-N 3.37Å; A51-N53 VanDerWaalsContact C-N 3.35Å; A51-N53 PolarHBondContact O-N 3.25Å; N53-A57 VanDerWaalsContact O-CB 3.29Å; N53-A57 WeakPolarHBondContact O-CB 3.41Å; N53-A57 PolarHBondContact O-N 3.05Å
54A98.8Very high98.4Very high3 Ų336.2 Ų36.23%0.02521%0.205CC..Hα-helixtrans-61.9-53.5176.500000111.9C50 A51 G56 A57 V58 V77C50-A54 WeakPolarHBondContact O-CB 3.46Å; C50-A54 PolarHBondContact O-N 2.88Å; A51-A54 PolarHBondContact O-N 3.08Å; A54-G56 PolarHBondContact O-N 3.06Å; A54-A57 PolarHBondContact O-N 3.5Å; A54-V58 WeakPolarHBondContact O-CG2 3.2Å; A54-V58 PolarHBondContact O-N 2.91Å; A54-V77 HydrophobicContact CB-CB 3.78Å; A54-V77 HydrophobicContact CB-CG1 4.41Å; A54-V77 HydrophobicContact CB-CG2 4.23Å
55C98.8Very high98.4Very high0 Ų036.1 Ų36.10%020%0.202CC..Hα-helixtrans-61.9-45.1178.9-178.20000111.1C3 L8 A51 A57 V58 V59 N97 V100C3-C55 HydrophobicContact CB-CB 3.91Å; C3-C55 PolarHBondContact SG-SG 3.08Å; L8-C55 HydrophobicContact CD2-CB 4.24Å; A51-C55 WeakPolarHBondContact O-CB 3.27Å; A51-C55 PolarHBondContact O-N 3.4Å; C55-A57 VanDerWaalsContact C-N 3.35Å; C55-A57 PolarHBondContact O-N 3.32Å; C55-V58 PolarHBondContact O-N 3.4Å; C55-V58 VanDerWaalsContact O-N 3.16Å; C55-V59 WeakPolarHBondContact O-CG2 3.42Å; C55-V59 PolarHBondContact O-N 2.83Å; C55-N97 WeakPolarHBondContact CA-OD1 3.41Å; C55-N97 WeakPolarHBondContact CB-OD1 3.44Å; C55-N97 PolarHBondContact N-OD1 2.95Å; C55-V100 VanDerWaalsContact SG-CG1 3.56Å
56G98.8Very high98.5Very high4 Ų438 Ų384%0.04121%0.208CC..Hα-helixtrans-66-34-178.600000113.5M1 L52 A54 V59 E60M1-G56 CarbonylContact O-C 3.6Å; M1-G56 VanDerWaalsContact O-CA 3.3Å; M1-G56 WeakPolarHBondContact O-CA 3.39Å; L52-G56 PolarHBondContact O-N 3.2Å; A54-G56 PolarHBondContact O-N 3.06Å; G56-V59 PolarHBondContact O-N 2.97Å; G56-E60 WeakPolarHBondContact O-CB 3.47Å; G56-E60 WeakPolarHBondContact O-CG 3.44Å; G56-E60 PolarHBondContact O-N 3.33Å
57A98.6Very high98.5Very high38 Ų3837.5 Ų37.531%0.31421%0.212SC..Hα-helixtrans-65-4017300000112.2N53 A54 C55 A61 V77N53-A57 VanDerWaalsContact O-CB 3.29Å; N53-A57 WeakPolarHBondContact O-CB 3.41Å; N53-A57 PolarHBondContact O-N 3.05Å; A54-A57 PolarHBondContact O-N 3.5Å; C55-A57 VanDerWaalsContact C-N 3.35Å; C55-A57 PolarHBondContact O-N 3.32Å; A57-A61 VanDerWaalsContact O-CB 3.29Å; A57-A61 WeakPolarHBondContact O-CB 3.45Å; A57-A61 PolarHBondContact O-N 2.94Å; A57-V77 HydrophobicContact CB-CG1 3.78Å
58V98.6Very high98.5Very high25 Ų2540 Ų4015%0.15224%0.24CC..Hα-helixtrans-68.9-42.7176.6-178.20000110.9A54 C55 A61 T62 A75 V77 N97 A101A54-V58 WeakPolarHBondContact O-CG2 3.2Å; A54-V58 PolarHBondContact O-N 2.91Å; C55-V58 PolarHBondContact O-N 3.4Å; C55-V58 VanDerWaalsContact O-N 3.16Å; V58-A61 PolarHBondContact O-N 2.89Å; V58-T62 PolarHBondContact O-N 3.35Å; V58-T62 PolarHBondContact O-OG1 3.49Å; V58-T62 VanDerWaalsContact O-OG1 3.14Å; V58-A75 HydrophobicContact CG2-CB 4.07Å; V58-V77 HydrophobicContact CG2-CG1 4.4Å; V58-V77 HydrophobicContact CG2-CG2 4.18Å; V58-N97 HydrophobicContact CB-CB 4.3Å; V58-N97 HydrophobicContact CG2-CB 3.96Å; V58-A101 HydrophobicContact CG1-CB 3.7Å
59V98.7Very high98.5Very high6 Ų647 Ų474%0.03627%0.271CS..Hα-helixtrans-61-45.7175.5171.40000111.4V7 C55 G56 A61 T62 K63 V100 A101 Y104V7-V59 HydrophobicContact CG1-CG1 4.23Å; V7-V59 HydrophobicContact CG1-CG2 3.96Å; C55-V59 WeakPolarHBondContact O-CG2 3.42Å; C55-V59 PolarHBondContact O-N 2.83Å; G56-V59 PolarHBondContact O-N 2.97Å; V59-A61 PolarHBondContact O-N 3.33Å; V59-T62 PolarHBondContact O-N 3.14Å; V59-K63 WeakPolarHBondContact O-CB 3.43Å; V59-K63 PolarHBondContact O-N 3.47Å; V59-V100 HydrophobicContact CG2-CG1 3.95Å; V59-A101 HydrophobicContact CG2-CB 4.27Å; V59-Y104 HydrophobicContact CG1-CD1 3.99Å; V59-Y104 HydrophobicContact CG1-CD2 3.86Å; V59-Y104 HydrophobicContact CG1-CE1 4.23Å; V59-Y104 HydrophobicContact CG1-CE2 4.08Å; V59-Y104 HydrophobicContact CG1-CG 3.82Å
60E98.4Very high98.4Very high80 Ų8046 Ų4637%0.37427%0.27SS..Hα-helixtrans-67-35.5178-75.5-64.4129.700112.6G56 K63 A64G56-E60 WeakPolarHBondContact O-CB 3.47Å; G56-E60 WeakPolarHBondContact O-CG 3.44Å; G56-E60 PolarHBondContact O-N 3.33Å; E60-K63 PolarHBondContact O-N 3.44Å; E60-K63 IonicContact OE1-NZ 3.79Å; E60-A64 WeakPolarHBondContact O-CB 3.5Å; E60-A64 PolarHBondContact O-N 3.3Å
61A98.1Very high98.4Very high15 Ų1549.5 Ų49.512%0.12430%0.302CS..Hα-helixtrans-62.2-47.1172.200000111.2A57 V58 V59 A64 V65 C73 A75A57-A61 VanDerWaalsContact O-CB 3.29Å; A57-A61 WeakPolarHBondContact O-CB 3.45Å; A57-A61 PolarHBondContact O-N 2.94Å; V58-A61 PolarHBondContact O-N 2.89Å; V59-A61 PolarHBondContact O-N 3.33Å; A61-A64 PolarHBondContact O-N 3.3Å; A61-V65 WeakPolarHBondContact O-CG2 3.41Å; A61-V65 PolarHBondContact O-N 3.04Å; A61-C73 HydrophobicContact CB-CB 3.93Å; A61-C73 VanDerWaalsContact CB-SG 3.59Å; A61-A75 HydrophobicContact CB-CB 4.41Å
62T98.3Very high98.4Very high36 Ų3651.8 Ų51.822%0.22133%0.326CS..Hα-helixtrans-58.9-49.8174.5-65.40000111V58 V59 A64 V65 I66 A105V58-T62 PolarHBondContact O-N 3.35Å; V58-T62 PolarHBondContact O-OG1 3.49Å; V58-T62 VanDerWaalsContact O-OG1 3.14Å; V59-T62 PolarHBondContact O-N 3.14Å; T62-A64 VanDerWaalsContact C-N 3.32Å; T62-A64 PolarHBondContact O-N 3.13Å; T62-V65 PolarHBondContact O-N 2.98Å; T62-V65 VanDerWaalsContact O-N 3.11Å; T62-I66 HydrophobicContact CG2-CG2 4.22Å; T62-I66 WeakPolarHBondContact O-CG1 3.29Å; T62-I66 WeakPolarHBondContact O-CG2 3.39Å; T62-I66 PolarHBondContact O-N 2.94Å; T62-A105 HydrophobicContact CG2-CB 3.82Å
63K98.1Very high98.3Very high77 Ų7754.6 Ų54.634%0.33535%0.346SS..Hα-helixtrans-53.7-48.1177-173.8-179.3-175.9171.60111.6V59 E60 V65 I66 T67 Y104V59-K63 WeakPolarHBondContact O-CB 3.43Å; V59-K63 PolarHBondContact O-N 3.47Å; E60-K63 PolarHBondContact O-N 3.44Å; E60-K63 IonicContact OE1-NZ 3.79Å; K63-V65 VanDerWaalsContact C-N 3.28Å; K63-V65 PolarHBondContact O-N 3.29Å; K63-I66 WeakPolarHBondContact O-CG1 3.47Å; K63-I66 PolarHBondContact O-N 3Å; K63-T67 HydrophobicContact CG-CG2 4.24Å; K63-T67 WeakPolarHBondContact O-CB 3.43Å; K63-T67 VanDerWaalsContact O-CG2 3.29Å; K63-T67 WeakPolarHBondContact O-CG2 3.41Å; K63-T67 PolarHBondContact O-N 3.18Å; K63-T67 PolarHBondContact O-OG1 3.04Å; K63-Y104 HydrophobicContact CB-CE1 4.01Å; K63-Y104 WeakPolarHBondContact CD-OH 3.38Å; K63-Y104 HydrophobicContact CG-CE1 4.27Å
64A98.4Very high98.2Very high20 Ų2056.6 Ų56.617%0.16536%0.361CS..Hα-helixtrans-60.3-37.5179.900000112.7E60 A61 T62 K69 C70E60-A64 WeakPolarHBondContact O-CB 3.5Å; E60-A64 PolarHBondContact O-N 3.3Å; A61-A64 PolarHBondContact O-N 3.3Å; T62-A64 VanDerWaalsContact C-N 3.32Å; T62-A64 PolarHBondContact O-N 3.13Å; A64-K69 HydrophobicContact CB-CB 4.32Å; A64-K69 HydrophobicContact CB-CD 4.41Å; A64-K69 WeakPolarHBondContact O-CA 3.34Å; A64-K69 VanDerWaalsContact O-CB 3.29Å; A64-K69 WeakPolarHBondContact O-CB 3.3Å; A64-K69 PolarHBondContact O-N 3.46Å; A64-C70 PolarHBondContact O-N 3.18Å
65V98.5Very high98.2Very high54 Ų5458.2 Ų58.233%0.32738%0.375SS..Hα-helixtrans-72.3-51.1177176.60000111.1A61 T62 K63 T67 G68 C73A61-V65 WeakPolarHBondContact O-CG2 3.41Å; A61-V65 PolarHBondContact O-N 3.04Å; T62-V65 PolarHBondContact O-N 2.98Å; T62-V65 VanDerWaalsContact O-N 3.11Å; K63-V65 VanDerWaalsContact C-N 3.28Å; K63-V65 PolarHBondContact O-N 3.29Å; V65-T67 VanDerWaalsContact C-N 3.28Å; V65-T67 PolarHBondContact O-N 3.16Å; V65-G68 PolarHBondContact O-N 2.92Å; V65-C73 HydrophobicContact CG2-CB 4.09Å
66I97.9Very high98.2Very high94 Ų9466.1 Ų66.148%0.48242%0.416SS..Hα-helixtrans-68.8-25.7-17569.5-179.7000113T62 K63 G68 Y104 A105T62-I66 HydrophobicContact CG2-CG2 4.22Å; T62-I66 WeakPolarHBondContact O-CG1 3.29Å; T62-I66 WeakPolarHBondContact O-CG2 3.39Å; T62-I66 PolarHBondContact O-N 2.94Å; K63-I66 WeakPolarHBondContact O-CG1 3.47Å; K63-I66 PolarHBondContact O-N 3Å; I66-G68 VanDerWaalsContact C-N 3.28Å; I66-Y104 HydrophobicContact CD1-CE1 4.33Å; I66-A105 HydrophobicContact CD1-CB 4.26Å
67T98.3Very high98.2Very high96 Ų9668.5 Ų68.559%0.58943%0.429SS*.THydrogen-bonded Turntrans-87.76.7173.369.90000113.2K63 V65 K69K63-T67 HydrophobicContact CG-CG2 4.24Å; K63-T67 WeakPolarHBondContact O-CB 3.43Å; K63-T67 VanDerWaalsContact O-CG2 3.29Å; K63-T67 WeakPolarHBondContact O-CG2 3.41Å; K63-T67 PolarHBondContact O-N 3.18Å; K63-T67 PolarHBondContact O-OG1 3.04Å; V65-T67 VanDerWaalsContact C-N 3.28Å; V65-T67 PolarHBondContact O-N 3.16Å; T67-K69 VanDerWaalsContact C-N 3.27Å; T67-K69 PolarHBondContact O-N 3.23Å
68G98.2Very high98.1Very high64 Ų6474 Ų7466%0.6644%0.442SS*.THydrogen-bonded Turntrans70.316.3178.500000115.2V65 I66 C70V65-G68 PolarHBondContact O-N 2.92Å; I66-G68 VanDerWaalsContact C-N 3.28Å; G68-C70 VanDerWaalsContact C-N 3.3Å
69K98.2Very high98.1Very high175 Ų17573.7 Ų73.776%0.76144%0.442SS*.SBendtrans-71.3-28.7176.9-173.8179.9177.9-178.10111.5A64 T67A64-K69 HydrophobicContact CB-CB 4.32Å; A64-K69 HydrophobicContact CB-CD 4.41Å; A64-K69 WeakPolarHBondContact O-CA 3.34Å; A64-K69 VanDerWaalsContact O-CB 3.29Å; A64-K69 WeakPolarHBondContact O-CB 3.3Å; A64-K69 PolarHBondContact O-N 3.46Å; T67-K69 VanDerWaalsContact C-N 3.27Å; T67-K69 PolarHBondContact O-N 3.23Å
70C97.7Very high98.1Very high46 Ų4676.2 Ų76.231%0.31146%0.459SS..  trans-148.4159.9170.261.70000111A64 G68 G72A64-C70 PolarHBondContact O-N 3.18Å; G68-C70 VanDerWaalsContact C-N 3.3Å; C70-G72 VanDerWaalsContact C-N 3.35Å; C70-G72 PolarHBondContact SG-O 3.24Å
71A97.9Very high98.1Very high112 Ų11272.8 Ų72.893%0.92644%0.444SS*.SBendtrans-79.9-17.3177.800000113.5
72G97.5Very high98.1Very high50 Ų5078.5 Ų78.552%0.51547%0.468SS..  trans-168.9162.1-17900000110.9C70C70-G72 VanDerWaalsContact C-N 3.35Å; C70-G72 PolarHBondContact SG-O 3.24Å
73C97.2Very high98.2Very high72 Ų7280.9 Ų80.949%0.48648%0.477SS..  trans-150156.4-179-163.20000110.9A61 V65A61-C73 HydrophobicContact CB-CB 3.93Å; A61-C73 VanDerWaalsContact CB-SG 3.59Å; V65-C73 HydrophobicContact CG2-CB 4.09Å
74V98Very high98.2Very high121 Ų12177.3 Ų77.373%0.73346%0.462SS*.  trans-127.4129.2171.8174.50000108L76V74-L76 HydrophobicContact CG1-CD2 3.95Å; V74-L76 HydrophobicContact CG1-CG 4.23Å
75A97.8Very high98.2Very high38 Ų3881.1 Ų81.131%0.31448%0.477SS..  trans-113.8113173.200000109.5V58 A61 V77V58-A75 HydrophobicContact CG2-CB 4.07Å; A61-A75 HydrophobicContact CB-CB 4.41Å; A75-V77 HydrophobicContact CB-CG1 4.1Å
76L98.2Very high98.2Very high165 Ų16584.8 Ų84.886%0.86449%0.488SS*.  trans-92.8104.2174.6-59.4178.4000108.7V74V74-L76 HydrophobicContact CG1-CD2 3.95Å; V74-L76 HydrophobicContact CG1-CG 4.23Å
77V98.5Very high98.2Very high54 Ų5484.7 Ų84.733%0.32749%0.489SS..  trans-131.8153.7-166.9-620000113.6A54 A57 V58 A75A54-V77 HydrophobicContact CB-CB 3.78Å; A54-V77 HydrophobicContact CB-CG1 4.41Å; A54-V77 HydrophobicContact CB-CG2 4.23Å; A57-V77 HydrophobicContact CB-CG1 3.78Å; V58-V77 HydrophobicContact CG2-CG1 4.4Å; V58-V77 HydrophobicContact CG2-CG2 4.18Å; A75-V77 HydrophobicContact CB-CG1 4.1Å
78R98.4Very high98.2Very high155 Ų15583.4 Ų83.459%0.58548%0.476SS*.SBendtrans-142.3141.5164.663.4177.1-65.6-79.71.2109.6
79A98Very high98.2Very high17 Ų1780.3 Ų80.314%0.1445%0.445CS..SBendcis-68.8157.72.100000113.9I94 N97A79-I94 HydrophobicContact CB-CD1 4.07Å; A79-I94 HydrophobicContact CB-CG1 4.28Å; A79-N97 PolarHBondContact O-ND2 2.94Å; A79-N97 VanDerWaalsContact O-ND2 3.14Å
80P98.7Very high98.2Very high60 Ų6073.3 Ų73.339%0.3942%0.415SS..  trans-62.6173.2167.631-36.6000110.8F92 C93P80-F92 HydrophobicContact CG-CB 4.08Å; P80-C93 VanDerWaalsContact C-SG 3.54Å; P80-C93 VanDerWaalsContact O-CA 3.32Å; P80-C93 WeakPolarHBondContact O-CA 3.04Å
81G98.6Very high98.2Very high7 Ų771.6 Ų71.67%0.07241%0.406CS..  trans-134.9-25.7-174.300000118H83 A84 C93 F95 N96G81-H83 PolarHBondContact O-N 3.41Å; G81-A84 WeakPolarHBondContact O-CB 3.32Å; G81-A84 PolarHBondContact O-N 2.92Å; G81-C93 VanDerWaalsContact C-SG 3.51Å; G81-C93 PolarHBondContact N-SG 3.22Å; G81-C93 VanDerWaalsContact N-SG 3.44Å; G81-F95 WeakPolarHBondContact CA-O 3.31Å; G81-N96 VanDerWaalsContact O-CA 3.27Å; G81-N96 WeakPolarHBondContact O-CA 3.46Å
82H98.6Very high98.3Very high135 Ų13571.7 Ų71.763%0.62539%0.385SS*.THydrogen-bonded Turntrans-63.9-18.8-163.970162.3000116.3
83H98.5Very high98.3Very high87 Ų8769.3 Ų69.340%0.40336%0.361SS..THydrogen-bonded Turntrans-89.5-18176.2-66.6-64.6000113.5G81 M85 N90 C93G81-H83 PolarHBondContact O-N 3.41Å; H83-M85 PolarHBondContact O-N 3.39Å; H83-N90 HydrophobicContact CB-CB 4.23Å; H83-N90 WeakPolarHBondContact CB-O 3.37Å; H83-C93 HydrophobicContact CB-CB 4.04Å; H83-C93 PolarHBondContact N-SG 3.16Å
84A98.6Very high98.4Very high2 Ų266.1 Ų66.12%0.01734%0.339CS..  trans-66.8130.7-178.700000110.3G81 C93 N96G81-A84 WeakPolarHBondContact O-CB 3.32Å; G81-A84 PolarHBondContact O-N 2.92Å; A84-C93 HydrophobicContact CB-CB 3.85Å; A84-N96 HydrophobicContact CB-CB 4.19Å; A84-N96 WeakPolarHBondContact O-CB 3.11Å; A84-N96 PolarHBondContact O-ND2 2.93Å
85M98.2Very high98.4Very high99 Ų9960.4 Ų60.449%0.48830%0.304SS..BIsolated β-bridgetrans-101.3176.9-179.1-52.2-171.7-16800110.6H12 H83 N87 E88H12-M85 PolarHBondContact CE1-O 3.41Å; H12-M85 PolarHBondContact ND1-O 3.17Å; H83-M85 PolarHBondContact O-N 3.39Å; M85-N87 PolarHBondContact O-N 3.37Å; M85-N87 VanDerWaalsContact O-N 3.1Å; M85-E88 HydrophobicContact CB-CB 4.21Å; M85-E88 PolarHBondContact N-O 2.92Å
86K98.5Very high98.5Very high131 Ų13159.5 Ų59.557%0.5729%0.294SS*.THydrogen-bonded Turntrans-51.5-37.8-180-177.8169.1-175.7172.90113.7H12 S13H12-K86 CarbonylContact C-O 3.58Å; H12-K86 WeakPolarHBondContact CA-O 3.33Å; S13-K86 PolarHBondContact N-O 3.21Å
87N98.3Very high98.5Very high92 Ų9252 Ų5249%0.49226%0.255SS..THydrogen-bonded Turntrans-128.712.1-173.3-64.5-31.9000114.1S13 F16 M85S13-N87 WeakPolarHBondContact CB-OD1 3.47Å; S13-N87 PolarHBondContact OG-OD1 3.01Å; F16-N87 WeakPolarHBondContact CD2-O 3.16Å; M85-N87 PolarHBondContact O-N 3.37Å; M85-N87 VanDerWaalsContact O-N 3.1Å
88E98.1Very high98.5Very high69 Ų6954 Ų5432%0.32227%0.267SS..BIsolated β-bridgetrans-147.7132.2-167.7-165.2-172.7134.300111.9Y38 M85 N90Y38-E88 HydrophobicContact CD1-CG 3.63Å; Y38-E88 HydrophobicContact CE1-CG 3.81Å; M85-E88 HydrophobicContact CB-CB 4.21Å; M85-E88 PolarHBondContact N-O 2.92Å; E88-N90 PolarHBondContact OE1-ND2 2.85Å
89S98.5Very high98.5Very high0 Ų047.1 Ų47.10%025%0.245CC..  trans-81.5140.4164.7-61.40000108.9F16 Y38 C93F16-S89 WeakPolarHBondContact CZ-OG 3.25Å; Y38-S89 WeakPolarHBondContact CD1-O 3.47Å; S89-C93 CarbonylContact C-O 3.49Å; S89-C93 VanDerWaalsContact CA-O 3.3Å; S89-C93 WeakPolarHBondContact CA-O 3.34Å; S89-C93 WeakPolarHBondContact CB-O 3.17Å
90N98.6Very high98.6Very high27 Ų2746.3 Ų46.314%0.14424%0.238CC..BIsolated β-bridgetrans-156.1147.5-177.1-165.4-70.2000110.3H83 E88 F92 C93H83-N90 HydrophobicContact CB-CB 4.23Å; H83-N90 WeakPolarHBondContact CB-O 3.37Å; E88-N90 PolarHBondContact OE1-ND2 2.85Å; N90-F92 PolarHBondContact O-N 2.81Å; N90-C93 PolarHBondContact N-O 2.88Å; N90-C93 WeakPolarHBondContact O-CA 3.41Å; N90-C93 WeakPolarHBondContact O-CB 3.22Å; N90-C93 PolarHBondContact O-N 2.81Å
91G98.3Very high98.6Very high10 Ų1043.7 Ų43.710%0.10322%0.221CC..THydrogen-bonded Turntrans53.251.9170.300000113.3D39 C93D39-G91 PolarHBondContact O-N 2.94Å; G91-C93 PolarHBondContact O-N 3.38Å; G91-C93 PolarHBondContact O-SG 3.22Å
92F98.5Very high98.6Very high114 Ų11446.5 Ų46.550%0.524%0.243SC..THydrogen-bonded Turntrans63.30.7-175.1-36.8-57.8000115.6S40 Y42 P80 N90S40-F92 WeakPolarHBondContact O-CD1 3.45Å; S40-F92 WeakPolarHBondContact O-CE1 3.42Å; S40-F92 PolarHBondContact O-N 3.29Å; Y42-F92 HydrophobicContact CD1-CD1 4.06Å; Y42-F92 AromaticContact CE1-CD1 3.78Å; Y42-F92 HydrophobicContact CE1-CD1 3.78Å; Y42-F92 HydrophobicContact CE1-CE1 4.34Å; P80-F92 HydrophobicContact CG-CB 4.08Å; N90-F92 PolarHBondContact O-N 2.81Å
93C98.7Very high98.5Very high0 Ų042.6 Ų42.60%023%0.231CC..BIsolated β-bridgetrans-94.3129.9-178.2-56.70000110.8P80 G81 H83 A84 S89 N90 G91P80-C93 VanDerWaalsContact C-SG 3.54Å; P80-C93 VanDerWaalsContact O-CA 3.32Å; P80-C93 WeakPolarHBondContact O-CA 3.04Å; G81-C93 VanDerWaalsContact C-SG 3.51Å; G81-C93 PolarHBondContact N-SG 3.22Å; G81-C93 VanDerWaalsContact N-SG 3.44Å; H83-C93 HydrophobicContact CB-CB 4.04Å; H83-C93 PolarHBondContact N-SG 3.16Å; A84-C93 HydrophobicContact CB-CB 3.85Å; S89-C93 CarbonylContact C-O 3.49Å; S89-C93 VanDerWaalsContact CA-O 3.3Å; S89-C93 WeakPolarHBondContact CA-O 3.34Å; S89-C93 WeakPolarHBondContact CB-O 3.17Å; N90-C93 PolarHBondContact N-O 2.88Å; N90-C93 WeakPolarHBondContact O-CA 3.41Å; N90-C93 WeakPolarHBondContact O-CB 3.22Å; N90-C93 PolarHBondContact O-N 2.81Å; G91-C93 PolarHBondContact O-N 3.38Å; G91-C93 PolarHBondContact O-SG 3.22Å
94I98.7Very high98.5Very high6 Ų642.1 Ų42.13%0.03123%0.226CC..SBendtrans-97.5-55.2178.8-61.4170.4000110.4I20 L43 A51 A79I20-I94 HydrophobicContact CG1-CG2 4.42Å; I20-I94 HydrophobicContact CG2-CG2 3.6Å; L43-I94 HydrophobicContact CD2-CD1 3.48Å; L43-I94 VanDerWaalsContact CD2-CD1 3.48Å; L43-I94 HydrophobicContact CD2-CG1 3.88Å; A51-I94 HydrophobicContact CB-CB 3.87Å; A51-I94 HydrophobicContact CB-CD1 3.96Å; A51-I94 HydrophobicContact CB-CG2 3.81Å; A79-I94 HydrophobicContact CB-CD1 4.07Å; A79-I94 HydrophobicContact CB-CG1 4.28Å
95F98.9Very high98.4Very high1 Ų146.5 Ų46.50%0.00426%0.263CS..SBendtrans-122.9147.7173.9-62.8-53.1000110.1L8 H12 F16 V17 I20 Y48 A51 L52 G81 N97L8-F95 HydrophobicContact CD1-CD2 4.35Å; L8-F95 HydrophobicContact CD1-CE2 3.99Å; L8-F95 HydrophobicContact CD1-CZ 4.16Å; L8-F95 HydrophobicContact CD2-CB 4.07Å; L8-F95 HydrophobicContact CD2-CD1 4.2Å; L8-F95 HydrophobicContact CD2-CD2 3.75Å; L8-F95 HydrophobicContact CD2-CE2 4.23Å; L8-F95 HydrophobicContact CD2-CG 3.75Å; H12-F95 AromaticContact CD2-CD1 3.7Å; H12-F95 WeakPolarHBondContact NE2-CA 3.29Å; H12-F95 AromaticContact NE2-CD1 3.78Å; F16-F95 HydrophobicContact CD1-CD1 4.47Å; F16-F95 HydrophobicContact CD1-CE1 4.15Å; F16-F95 AromaticContact CE1-CD1 3.91Å; F16-F95 HydrophobicContact CE1-CD1 3.91Å; F16-F95 AromaticContact CE1-CE1 3.84Å; F16-F95 HydrophobicContact CE1-CE1 3.84Å; V17-F95 HydrophobicContact CG1-CZ 4.37Å; V17-F95 HydrophobicContact CG2-CE1 4.09Å; I20-F95 HydrophobicContact CB-CE1 4.41Å; I20-F95 HydrophobicContact CB-CZ 4.02Å; I20-F95 HydrophobicContact CG1-CE1 4.26Å; I20-F95 HydrophobicContact CG1-CZ 4.37Å; I20-F95 HydrophobicContact CG2-CE2 4.46Å; I20-F95 HydrophobicContact CG2-CZ 4Å; Y48-F95 HydrophobicContact CD2-CE2 4.15Å; Y48-F95 HydrophobicContact CD2-CZ 4.37Å; Y48-F95 HydrophobicContact CE2-CE2 4.03Å; Y48-F95 HydrophobicContact CE2-CZ 4.1Å; A51-F95 HydrophobicContact CB-CD2 3.78Å; A51-F95 HydrophobicContact CB-CE2 4.15Å; L52-F95 HydrophobicContact CD2-CE2 4.05Å; G81-F95 WeakPolarHBondContact CA-O 3.31Å; F95-N97 PolarHBondContact O-N 2.84Å; F95-N97 PolarHBondContact O-OD1 2.99Å
96N98.8Very high98.4Very high18 Ų1843.9 Ų43.910%0.09625%0.252CS..  trans-80.985.4-179.8-159.2-41000110.4F11 H12 G81 A84 V98 G99 V100F11-N96 HydrophobicContact CD1-CB 3.89Å; F11-N96 HydrophobicContact CE1-CB 3.61Å; F11-N96 HydrophobicContact CZ-CB 4.07Å; H12-N96 PolarHBondContact CE1-N 3.42Å; H12-N96 PolarHBondContact NE2-N 3.05Å; G81-N96 VanDerWaalsContact O-CA 3.27Å; G81-N96 WeakPolarHBondContact O-CA 3.46Å; A84-N96 HydrophobicContact CB-CB 4.19Å; A84-N96 WeakPolarHBondContact O-CB 3.11Å; A84-N96 PolarHBondContact O-ND2 2.93Å; N96-V98 VanDerWaalsContact C-N 3.25Å; N96-V98 PolarHBondContact O-N 2.91Å; N96-G99 PolarHBondContact O-N 3.31Å; N96-G99 VanDerWaalsContact O-N 3.14Å; N96-G99 PolarHBondContact OD1-N 3.05Å; N96-V100 WeakPolarHBondContact O-CB 3.27Å; N96-V100 WeakPolarHBondContact O-CG2 3.41Å; N96-V100 PolarHBondContact O-N 2.88Å
97N98.8Very high98.4Very high8 Ų839.3 Ų39.34%0.04324%0.235CC..Hα-helixtrans-50.8-45.5-177.2-55.8-28.4000112.5C55 V58 A79 F95 A101C55-N97 WeakPolarHBondContact CA-OD1 3.41Å; C55-N97 WeakPolarHBondContact CB-OD1 3.44Å; C55-N97 PolarHBondContact N-OD1 2.95Å; V58-N97 HydrophobicContact CB-CB 4.3Å; V58-N97 HydrophobicContact CG2-CB 3.96Å; A79-N97 PolarHBondContact O-ND2 2.94Å; A79-N97 VanDerWaalsContact O-ND2 3.14Å; F95-N97 PolarHBondContact O-N 2.84Å; F95-N97 PolarHBondContact O-OD1 2.99Å; N97-A101 VanDerWaalsContact O-CB 3.26Å; N97-A101 WeakPolarHBondContact O-CB 3.39Å; N97-A101 PolarHBondContact O-N 3.16Å
98V98.6Very high98.4Very high96 Ų9636.4 Ų36.458%0.58222%0.221SC*.Hα-helixtrans-74-41.6-179.4-179.70000111.1N96 A101 A102N96-V98 VanDerWaalsContact C-N 3.25Å; N96-V98 PolarHBondContact O-N 2.91Å; V98-A101 PolarHBondContact O-N 3.11Å; V98-A102 VanDerWaalsContact O-CB 3.3Å; V98-A102 WeakPolarHBondContact O-CB 3.38Å; V98-A102 PolarHBondContact O-N 3.47Å
99G98.6Very high98.4Very high11 Ų1134.5 Ų34.511%0.11322%0.215CC..Hα-helixtrans-61.6-43.4176.600000113N96 S103N96-G99 PolarHBondContact O-N 3.31Å; N96-G99 VanDerWaalsContact O-N 3.14Å; N96-G99 PolarHBondContact OD1-N 3.05Å; G99-S103 WeakPolarHBondContact O-CB 3.03Å; G99-S103 PolarHBondContact O-N 2.75Å; G99-S103 PolarHBondContact O-OG 3.23Å
100V98.8Very high98.4Very high0 Ų036.6 Ų36.60%023%0.228CC..Hα-helixtrans-64.3-47.9174.2173.40000110.6V7 L8 F11 C55 V59 N96 A102 S103 Y104V7-V100 HydrophobicContact CG1-CG1 3.71Å; V7-V100 WeakPolarHBondContact O-CG1 3.48Å; L8-V100 HydrophobicContact CD2-CG2 4.47Å; F11-V100 HydrophobicContact CB-CG2 3.68Å; F11-V100 HydrophobicContact CG-CG2 4.48Å; C55-V100 VanDerWaalsContact SG-CG1 3.56Å; V59-V100 HydrophobicContact CG2-CG1 3.95Å; N96-V100 WeakPolarHBondContact O-CB 3.27Å; N96-V100 WeakPolarHBondContact O-CG2 3.41Å; N96-V100 PolarHBondContact O-N 2.88Å; V100-A102 VanDerWaalsContact C-N 3.32Å; V100-A102 PolarHBondContact O-N 3.22Å; V100-S103 PolarHBondContact O-N 3.29Å; V100-S103 VanDerWaalsContact O-N 3.11Å; V100-Y104 WeakPolarHBondContact O-CB 3.36Å; V100-Y104 PolarHBondContact O-N 3.23Å
101A98.6Very high98.4Very high4 Ų437.3 Ų37.33%0.03323%0.234CC..Hα-helixtrans-63.6-36.4179.800000113.1V58 V59 N97 V98 S103 Y104 A105V58-A101 HydrophobicContact CG1-CB 3.7Å; V59-A101 HydrophobicContact CG2-CB 4.27Å; N97-A101 VanDerWaalsContact O-CB 3.26Å; N97-A101 WeakPolarHBondContact O-CB 3.39Å; N97-A101 PolarHBondContact O-N 3.16Å; V98-A101 PolarHBondContact O-N 3.11Å; A101-S103 VanDerWaalsContact C-N 3.34Å; A101-Y104 PolarHBondContact O-N 3.18Å; A101-A105 PolarHBondContact O-N 2.65Å; A101-A105 VanDerWaalsContact O-N 3.17Å
102A98.5Very high98.4Very high66 Ų6639.2 Ų39.255%0.54524%0.243SC..Hα-helixtrans-68.5-33173.800000112.5V98 V100 Y104V98-A102 VanDerWaalsContact O-CB 3.3Å; V98-A102 WeakPolarHBondContact O-CB 3.38Å; V98-A102 PolarHBondContact O-N 3.47Å; V100-A102 VanDerWaalsContact C-N 3.32Å; V100-A102 PolarHBondContact O-N 3.22Å; A102-Y104 VanDerWaalsContact C-N 3.33Å
103S98.4Very high98.4Very high53 Ų5333.5 Ų33.537%0.37122%0.224SC..Hα-helixtrans-76.9-22.3175.9-51.50000112.7G99 V100 A101G99-S103 WeakPolarHBondContact O-CB 3.03Å; G99-S103 PolarHBondContact O-N 2.75Å; G99-S103 PolarHBondContact O-OG 3.23Å; V100-S103 PolarHBondContact O-N 3.29Å; V100-S103 VanDerWaalsContact O-N 3.11Å; A101-S103 VanDerWaalsContact C-N 3.34Å
104Y97.9Very high98.4Very high77 Ų7736.3 Ų36.330%0.30224%0.242SC..Hα-helixtrans-79.9-35.6176.3174.2-85.1000113.1V7 L10 V59 K63 I66 V100 A101 A102V7-Y104 HydrophobicContact CG1-CD2 4.25Å; V7-Y104 HydrophobicContact CG2-CD2 4.41Å; L10-Y104 HydrophobicContact CD1-CD2 4.4Å; V59-Y104 HydrophobicContact CG1-CD1 3.99Å; V59-Y104 HydrophobicContact CG1-CD2 3.86Å; V59-Y104 HydrophobicContact CG1-CE1 4.23Å; V59-Y104 HydrophobicContact CG1-CE2 4.08Å; V59-Y104 HydrophobicContact CG1-CG 3.82Å; K63-Y104 HydrophobicContact CB-CE1 4.01Å; K63-Y104 WeakPolarHBondContact CD-OH 3.38Å; K63-Y104 HydrophobicContact CG-CE1 4.27Å; I66-Y104 HydrophobicContact CD1-CE1 4.33Å; V100-Y104 WeakPolarHBondContact O-CB 3.36Å; V100-Y104 PolarHBondContact O-N 3.23Å; A101-Y104 PolarHBondContact O-N 3.18Å; A102-Y104 VanDerWaalsContact C-N 3.33Å
105A96Very high98.4Very high95 Ų9539 Ų3979%0.78526%0.261SS*.  trans-71.50-176.400000112.7T62 I66 A101T62-A105 HydrophobicContact CG2-CB 3.82Å; I66-A105 HydrophobicContact CD1-CB 4.26Å; A101-A105 PolarHBondContact O-N 2.65Å; A101-A105 VanDerWaalsContact O-N 3.17Å

Retrieved 105 of 105 residues in 29.6 ms (Link to these results)

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