A0A077Z4F3_TRITR Loading...

Cytochrome b-c1 complex subunit 7

AlphaFold DB , UniProt , Accession A0A077Z4F3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 95 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
1M79.3Confident79.4Confident54 Ų5473.8 Ų73.827%0.26639%0.386SS..  0147.50-82.5173.2-175.300108.5H3 D4 R31 T51 E56 T57 Y59M1-H3 PolarHBondContact O-N 3.11Å; M1-D4 WeakPolarHBondContact CB-OD2 3.32Å; M1-D4 PolarHBondContact N-OD2 3.5Å; M1-D4 WeakPolarHBondContact O-CB 3.35Å; M1-D4 PolarHBondContact O-N 3.49Å; M1-R31 PolarHBondContact SD-NH1 3.2Å; M1-T51 HydrophobicContact CG-CG2 4.34Å; M1-E56 WeakPolarHBondContact CA-OE2 3.38Å; M1-E56 WeakPolarHBondContact CB-OE1 3.49Å; M1-E56 VanDerWaalsContact CG-OE1 3.31Å; M1-E56 WeakPolarHBondContact CG-OE1 3.43Å; M1-T57 HydrophobicContact CE-CG2 4.45Å; M1-Y59 HydrophobicContact CB-CE1 4.22Å; M1-Y59 HydrophobicContact SD-CD1 3.87Å; M1-Y59 HydrophobicContact SD-CE1 4.07Å
2W80.9Confident80.5Confident152 Ų15269.4 Ų69.458%0.57636%0.363SS*.G310 helixtrans-56.1-36.2-174.7178.1-109.5000113.5D4 T5 E56 W58W2-D4 PolarHBondContact O-N 3.18Å; W2-T5 PolarHBondContact O-N 2.9Å; W2-T5 PolarHBondContact O-OG1 3.38Å; W2-T5 VanDerWaalsContact O-OG1 3.07Å; W2-E56 VanDerWaalsContact N-CD 3.35Å; W2-E56 PolarHBondContact N-OE1 3.2Å; W2-E56 PolarHBondContact N-OE2 2.79Å; W2-W58 AromaticContact CD1-CH2 3.57Å; W2-W58 AromaticContact CD1-CZ3 3.47Å; W2-W58 VanDerWaalsContact CD1-CZ3 3.47Å; W2-W58 HydrophobicContact CG-CH2 4.2Å; W2-W58 HydrophobicContact CG-CZ3 4.4Å
3H82.9Confident81.3Confident2 Ų265.5 Ų65.51%0.00934%0.343CS..G310 helixtrans-72.8-10.4178.2-69.1-57.8000115.2M1 T5 Y6 W58 Y59 L60M1-H3 PolarHBondContact O-N 3.11Å; H3-T5 PolarHBondContact O-N 3.43Å; H3-Y6 AromaticContact CE1-CE2 3.93Å; H3-Y6 AromaticContact ND1-CD2 3.6Å; H3-Y6 AromaticContact ND1-CE2 3.44Å; H3-Y6 WeakPolarHBondContact ND1-CE2 3.33Å; H3-W58 VanDerWaalsContact CD2-C 3.48Å; H3-W58 VanDerWaalsContact CD2-CA 3.46Å; H3-W58 WeakPolarHBondContact CD2-CA 3.41Å; H3-W58 AromaticContact CE1-CE3 3.5Å; H3-W58 AromaticContact CE1-CZ3 3.94Å; H3-W58 WeakPolarHBondContact NE2-CA 3.47Å; H3-W58 AromaticContact NE2-CD2 3.89Å; H3-W58 AromaticContact NE2-CE3 3.19Å; H3-Y59 HydrophobicContact CB-CD1 4.45Å; H3-Y59 HydrophobicContact CB-CE1 3.76Å; H3-L60 HydrophobicContact CB-CB 3.88Å; H3-L60 HydrophobicContact CB-CD2 4.23Å
4D84.6Confident82Confident24 Ų2466.6 Ų66.613%0.12835%0.346CS..G310 helixtrans-72.5-24.2176.3-56.4-29.1000111M1 W2 R31 L32 Y59M1-D4 WeakPolarHBondContact CB-OD2 3.32Å; M1-D4 PolarHBondContact N-OD2 3.5Å; M1-D4 WeakPolarHBondContact O-CB 3.35Å; M1-D4 PolarHBondContact O-N 3.49Å; W2-D4 PolarHBondContact O-N 3.18Å; D4-R31 IonicContact OD1-CZ 2.72Å; D4-R31 IonicContact OD1-NE 2.97Å; D4-R31 PolarHBondContact OD1-NE 3.11Å; D4-R31 IonicContact OD1-NH2 3.64Å; D4-R31 PolarHBondContact OD1-NH2 3.49Å; D4-R31 WeakPolarHBondContact OD2-CD 3.13Å; D4-R31 IonicContact OD2-CZ 2.86Å; D4-R31 IonicContact OD2-NE 3.86Å; D4-R31 PolarHBondContact OD2-NE 3.49Å; D4-R31 IonicContact OD2-NH2 3.8Å; D4-L32 HydrophobicContact CB-CD2 4.09Å; D4-Y59 PolarHBondContact OD1-OH 3.21Å
5T82Confident82.7Confident106 Ų10662.4 Ų62.465%0.6532%0.324SS*.G310 helixtrans-104.418.8-178.257.10000113.6W2 H3 S7W2-T5 PolarHBondContact O-N 2.9Å; W2-T5 PolarHBondContact O-OG1 3.38Å; W2-T5 VanDerWaalsContact O-OG1 3.07Å; H3-T5 PolarHBondContact O-N 3.43Å; T5-S7 PolarHBondContact O-N 3.06Å
6Y71.8Confident83.4Confident57 Ų5758.5 Ų58.522%0.22430%0.304CS..  trans-62.1128.3-168.3-140.7-124.7000113H3 E8 V13 L64 R68H3-Y6 AromaticContact CE1-CE2 3.93Å; H3-Y6 AromaticContact ND1-CD2 3.6Å; H3-Y6 AromaticContact ND1-CE2 3.44Å; H3-Y6 WeakPolarHBondContact ND1-CE2 3.33Å; Y6-E8 HydrophobicContact CD1-CB 3.71Å; Y6-E8 HydrophobicContact CD1-CG 3.64Å; Y6-E8 HydrophobicContact CE1-CB 3.76Å; Y6-E8 HydrophobicContact CE1-CG 3.28Å; Y6-E8 WeakPolarHBondContact CE1-OE1 3.46Å; Y6-E8 WeakPolarHBondContact CE1-OE2 3.5Å; Y6-E8 VanDerWaalsContact CZ-CD 3.43Å; Y6-E8 VanDerWaalsContact CZ-OE1 3.26Å; Y6-E8 PolarHBondContact OH-OE1 3.27Å; Y6-V13 HydrophobicContact CD1-CG2 3.77Å; Y6-L64 HydrophobicContact CD1-CD1 4.08Å; Y6-L64 HydrophobicContact CD1-CD2 4.48Å; Y6-L64 HydrophobicContact CE1-CD1 3.32Å; Y6-L64 HydrophobicContact CE1-CD2 4Å; Y6-L64 HydrophobicContact CE1-CG 4.3Å; Y6-R68 PolarHBondContact OH-NH2 3.02Å
7S66.1Low83.9Confident121 Ų12156.1 Ų56.185%0.84629%0.292SS*.  trans-100.412-176.671.30000114.2T5T5-S7 PolarHBondContact O-N 3.06Å
8E70.7Confident84.4Confident63 Ų6360.3 Ų60.329%0.29430%0.304SS..SBendtrans-68.7173179.8-73-165.7179.200112.9Y6 K10 V13 R68Y6-E8 HydrophobicContact CD1-CB 3.71Å; Y6-E8 HydrophobicContact CD1-CG 3.64Å; Y6-E8 HydrophobicContact CE1-CB 3.76Å; Y6-E8 HydrophobicContact CE1-CG 3.28Å; Y6-E8 WeakPolarHBondContact CE1-OE1 3.46Å; Y6-E8 WeakPolarHBondContact CE1-OE2 3.5Å; Y6-E8 VanDerWaalsContact CZ-CD 3.43Å; Y6-E8 VanDerWaalsContact CZ-OE1 3.26Å; Y6-E8 PolarHBondContact OH-OE1 3.27Å; E8-K10 PolarHBondContact O-N 3.24Å; E8-V13 HydrophobicContact CB-CG2 3.79Å; E8-R68 IonicContact OE1-CZ 3.29Å; E8-R68 IonicContact OE1-NH1 2.81Å; E8-R68 IonicContact OE1-NH2 2.71Å; E8-R68 PolarHBondContact OE1-NH2 2.92Å; E8-R68 IonicContact OE2-CZ 3.24Å; E8-R68 VanDerWaalsContact OE2-CZ 3.31Å; E8-R68 IonicContact OE2-NE 2.75Å; E8-R68 PolarHBondContact OE2-NE 3.35Å; E8-R68 IonicContact OE2-NH2 2.96Å; E8-R68 PolarHBondContact OE2-NH2 2.94Å
9A80.1Confident84.9Confident57 Ų5760.9 Ų60.947%0.47130%0.302SS..  trans-48.2117.4177.100000110.3E11 I12 V13A9-E11 PolarHBondContact O-N 3.49Å; A9-I12 HydrophobicContact CB-CD1 4.38Å; A9-I12 PolarHBondContact O-N 3.48Å; A9-V13 PolarHBondContact O-N 3.47Å
10K85Confident85.3Confident120 Ų12058.8 Ų58.852%0.52229%0.292SS..Hα-helixtrans-45.7-43.6-173.7-176.4-174.1172.6-163.90112.5E8 I12 V13 E14E8-K10 PolarHBondContact O-N 3.24Å; K10-I12 PolarHBondContact O-N 2.92Å; K10-V13 PolarHBondContact O-N 3.4Å; K10-E14 WeakPolarHBondContact CE-OE2 3.44Å; K10-E14 WeakPolarHBondContact O-CB 3.32Å; K10-E14 PolarHBondContact O-N 3.31Å
11E90.3Very high85.7Confident56 Ų5659.8 Ų59.826%0.26230%0.302SS..Hα-helixtrans-58-42.6-177.8-55.2165-168.400112.9A9 E15 K81 A85A9-E11 PolarHBondContact O-N 3.49Å; E11-E15 WeakPolarHBondContact O-CB 3.47Å; E11-E15 PolarHBondContact O-N 2.9Å; E11-K81 IonicContact OE1-NZ 3.23Å; E11-K81 PolarHBondContact OE1-NZ 2.88Å; E11-K81 IonicContact OE2-NZ 2.79Å; E11-K81 PolarHBondContact OE2-NZ 3.43Å; E11-A85 HydrophobicContact CB-CB 4.12Å; E11-A85 VanDerWaalsContact CG-O 3.28Å; E11-A85 WeakPolarHBondContact CG-O 3.32Å
12I92Very high86.5Confident21 Ų2160.6 Ų60.611%0.10832%0.317CS..Hα-helixtrans-74.8-41.7-177.9-66.8175.1000110.3A9 K10 A16 L64 I67 R68A9-I12 HydrophobicContact CB-CD1 4.38Å; A9-I12 PolarHBondContact O-N 3.48Å; K10-I12 PolarHBondContact O-N 2.92Å; I12-A16 VanDerWaalsContact O-CB 3.28Å; I12-A16 WeakPolarHBondContact O-CB 3.29Å; I12-A16 PolarHBondContact O-N 3.4Å; I12-L64 HydrophobicContact CG2-CD2 3.84Å; I12-I67 HydrophobicContact CB-CG2 4.44Å; I12-I67 HydrophobicContact CG1-CG2 4.47Å; I12-I67 HydrophobicContact CG2-CB 4.46Å; I12-I67 HydrophobicContact CG2-CG2 3.95Å; I12-R68 HydrophobicContact CD1-CG 4.24Å; I12-R68 HydrophobicContact CG2-CG 4.21Å
13V91.4Very high87.1Confident18 Ų1859.4 Ų59.411%0.10932%0.318CS..Hα-helixtrans-67.9-42.7179.8-176.90000110.8Y6 E8 A9 K10 A16 V17 L60 L64Y6-V13 HydrophobicContact CD1-CG2 3.77Å; E8-V13 HydrophobicContact CB-CG2 3.79Å; A9-V13 PolarHBondContact O-N 3.47Å; K10-V13 PolarHBondContact O-N 3.4Å; V13-A16 PolarHBondContact O-N 3Å; V13-V17 HydrophobicContact CG1-CG2 4.41Å; V13-V17 WeakPolarHBondContact O-CB 3.4Å; V13-V17 VanDerWaalsContact O-CG2 3.29Å; V13-V17 WeakPolarHBondContact O-CG2 3.41Å; V13-V17 PolarHBondContact O-N 3.34Å; V13-L60 HydrophobicContact CG1-CD2 4.3Å; V13-L64 HydrophobicContact CG2-CD2 4.35Å
14E90.5Very high87.5Confident82 Ų8261.5 Ų61.538%0.38333%0.328SS..Hα-helixtrans-60.9-45.9178.3-173.316917300111K10 V17 R18K10-E14 WeakPolarHBondContact CE-OE2 3.44Å; K10-E14 WeakPolarHBondContact O-CB 3.32Å; K10-E14 PolarHBondContact O-N 3.31Å; E14-V17 PolarHBondContact O-N 2.9Å; E14-R18 WeakPolarHBondContact O-CB 3.42Å; E14-R18 PolarHBondContact O-N 3.43Å
15E93.2Very high88Confident3 Ų365.8 Ų65.81%0.01434%0.344CS..Hα-helixtrans-68-36175.3-173.862.5-16500112.1E11 R18 R19 I67 W84 R87E11-E15 WeakPolarHBondContact O-CB 3.47Å; E11-E15 PolarHBondContact O-N 2.9Å; E15-R18 WeakPolarHBondContact O-CB 3.44Å; E15-R18 PolarHBondContact O-N 3.29Å; E15-R18 IonicContact OE1-CZ 3.4Å; E15-R18 IonicContact OE1-NE 2.7Å; E15-R18 PolarHBondContact OE1-NE 2.9Å; E15-R18 IonicContact OE1-NH2 3.4Å; E15-R18 PolarHBondContact OE1-NH2 2.99Å; E15-R18 IonicContact OE2-CZ 2.84Å; E15-R18 IonicContact OE2-NE 3.73Å; E15-R18 PolarHBondContact OE2-NE 3.38Å; E15-R18 IonicContact OE2-NH2 3.71Å; E15-R19 WeakPolarHBondContact O-CG 3.25Å; E15-R19 PolarHBondContact O-N 3.22Å; E15-R19 IonicContact OE1-CZ 2.66Å; E15-R19 IonicContact OE1-NE 3.96Å; E15-R19 PolarHBondContact OE1-NE 2.91Å; E15-R19 IonicContact OE1-NH2 2.62Å; E15-R19 PolarHBondContact OE1-NH2 3.29Å; E15-I67 HydrophobicContact CB-CD1 4.12Å; E15-I67 HydrophobicContact CG-CD1 3.9Å; E15-I67 HydrophobicContact CG-CG1 4.4Å; E15-I67 HydrophobicContact CG-CG2 4.47Å; E15-W84 HydrophobicContact CB-CD2 4.44Å; E15-W84 HydrophobicContact CB-CE3 3.8Å; E15-W84 HydrophobicContact CB-CZ3 4.2Å; E15-W84 HydrophobicContact CG-CB 4.37Å; E15-W84 HydrophobicContact CG-CD2 3.92Å; E15-W84 HydrophobicContact CG-CE3 3.79Å; E15-W84 HydrophobicContact CG-CG 4.18Å; E15-W84 HydrophobicContact CG-CZ3 4.38Å; E15-R87 IonicContact OE2-NH1 2.82Å; E15-R87 PolarHBondContact OE2-NH1 2.96Å
16A93.5Very high88.6Confident0 Ų065.5 Ų65.50%034%0.338CS..Hα-helixtrans-63.1-45.5176.300000111.6I12 V13 R18 R19 L20 L60 Q63 L64 I67I12-A16 VanDerWaalsContact O-CB 3.28Å; I12-A16 WeakPolarHBondContact O-CB 3.29Å; I12-A16 PolarHBondContact O-N 3.4Å; V13-A16 PolarHBondContact O-N 3Å; A16-R18 VanDerWaalsContact C-N 3.32Å; A16-R18 PolarHBondContact O-N 3.45Å; A16-R19 PolarHBondContact O-N 3.02Å; A16-L20 PolarHBondContact O-N 3.44Å; A16-L60 HydrophobicContact CB-CD1 3.77Å; A16-L60 HydrophobicContact CB-CG 4.25Å; A16-Q63 HydrophobicContact CB-CB 4.02Å; A16-L64 HydrophobicContact CB-CD2 3.9Å; A16-L64 HydrophobicContact CB-CG 4.18Å; A16-I67 HydrophobicContact CB-CD1 3.66Å
17V92.5Very high89.6Confident17 Ų1766.7 Ų66.710%0.10334%0.344CS..Hα-helixtrans-62.9-40.2175.3170.40000110.8V13 E14 R19 L20 Y25 L60V13-V17 HydrophobicContact CG1-CG2 4.41Å; V13-V17 WeakPolarHBondContact O-CB 3.4Å; V13-V17 VanDerWaalsContact O-CG2 3.29Å; V13-V17 WeakPolarHBondContact O-CG2 3.41Å; V13-V17 PolarHBondContact O-N 3.34Å; E14-V17 PolarHBondContact O-N 2.9Å; V17-R19 VanDerWaalsContact C-N 3.28Å; V17-R19 PolarHBondContact O-N 3.37Å; V17-L20 WeakPolarHBondContact O-CB 3.49Å; V17-L20 PolarHBondContact O-N 3.12Å; V17-Y25 HydrophobicContact CG1-CD2 3.89Å; V17-Y25 HydrophobicContact CG1-CE2 3.76Å; V17-L60 HydrophobicContact CG2-CD1 4.13Å
18R92.4Very high90.9Very high133 Ų13363.1 Ų63.150%0.50231%0.312SS..Hα-helixtrans-63.5-31.5177.8-164.6-166.570.274.6-0113.1E14 E15 A16E14-R18 WeakPolarHBondContact O-CB 3.42Å; E14-R18 PolarHBondContact O-N 3.43Å; E15-R18 WeakPolarHBondContact O-CB 3.44Å; E15-R18 PolarHBondContact O-N 3.29Å; E15-R18 IonicContact OE1-CZ 3.4Å; E15-R18 IonicContact OE1-NE 2.7Å; E15-R18 PolarHBondContact OE1-NE 2.9Å; E15-R18 IonicContact OE1-NH2 3.4Å; E15-R18 PolarHBondContact OE1-NH2 2.99Å; E15-R18 IonicContact OE2-CZ 2.84Å; E15-R18 IonicContact OE2-NE 3.73Å; E15-R18 PolarHBondContact OE2-NE 3.38Å; E15-R18 IonicContact OE2-NH2 3.71Å; A16-R18 VanDerWaalsContact C-N 3.32Å; A16-R18 PolarHBondContact O-N 3.45Å
19R93.9Very high91.9Very high72 Ų7262 Ų6227%0.27231%0.314SS..THydrogen-bonded Turntrans-89.2-3.5-180-66.4-174.1-168.1-170.93114E15 A16 V17 E70E15-R19 WeakPolarHBondContact O-CG 3.25Å; E15-R19 PolarHBondContact O-N 3.22Å; E15-R19 IonicContact OE1-CZ 2.66Å; E15-R19 IonicContact OE1-NE 3.96Å; E15-R19 PolarHBondContact OE1-NE 2.91Å; E15-R19 IonicContact OE1-NH2 2.62Å; E15-R19 PolarHBondContact OE1-NH2 3.29Å; A16-R19 PolarHBondContact O-N 3.02Å; V17-R19 VanDerWaalsContact C-N 3.28Å; V17-R19 PolarHBondContact O-N 3.37Å; R19-E70 IonicContact CZ-OE2 3.27Å; R19-E70 VanDerWaalsContact CZ-OE2 3.29Å; R19-E70 IonicContact NH1-OE2 3.2Å; R19-E70 PolarHBondContact NH1-OE2 2.87Å; R19-E70 IonicContact NH2-OE1 3.32Å; R19-E70 PolarHBondContact NH2-OE1 3.21Å; R19-E70 IonicContact NH2-OE2 3.42Å; R19-E70 PolarHBondContact NH2-OE2 3.2Å
20L92.5Very high92.6Very high18 Ų1865.1 Ų65.19%0.09432%0.317CS..SBendtrans-64148.2177.6-76.8174000111.5A16 V17 E24 Y59 L60 Q63A16-L20 PolarHBondContact O-N 3.44Å; V17-L20 WeakPolarHBondContact O-CB 3.49Å; V17-L20 PolarHBondContact O-N 3.12Å; L20-E24 HydrophobicContact CD2-CB 4.49Å; L20-Y59 HydrophobicContact CD1-CD2 4.14Å; L20-Y59 HydrophobicContact CD1-CE2 3.89Å; L20-Y59 HydrophobicContact CD2-CD2 4.24Å; L20-L60 HydrophobicContact CD1-CD1 3.88Å; L20-L60 HydrophobicContact CD2-CD1 4.19Å; L20-L60 HydrophobicContact CG-CD1 4.12Å; L20-Q63 HydrophobicContact CD2-CG 4.04Å
21P95.2Very high93Very high79 Ų7961.4 Ų61.451%0.51330%0.3SS..  trans-56.1146.2164.6-21.733000111.1E23 E24 Y25P21-E23 PolarHBondContact O-N 3.35Å; P21-E24 PolarHBondContact O-N 3.5Å; P21-E24 VanDerWaalsContact O-N 3.11Å; P21-Y25 PolarHBondContact O-N 3.28Å
22A94.4Very high93.2Very high71 Ų7161.9 Ų61.959%0.58730%0.304SS*.Hα-helixtrans-53.2-41.3-177.900000112.7E24 Y25 D26A22-E24 PolarHBondContact O-N 2.91Å; A22-Y25 WeakPolarHBondContact O-CB 3.25Å; A22-Y25 PolarHBondContact O-N 3.4Å; A22-D26 VanDerWaalsContact O-CG 3.3Å; A22-D26 PolarHBondContact O-N 2.88Å
23E94.2Very high93.3Very high127 Ų12766.7 Ų66.759%0.59333%0.327SS*.Hα-helixtrans-61.7-44.2179.5-168.8-170.2155.200113P21 D26 K27P21-E23 PolarHBondContact O-N 3.35Å; E23-D26 PolarHBondContact O-N 2.97Å; E23-K27 VanDerWaalsContact O-CG 3.29Å; E23-K27 WeakPolarHBondContact O-CG 3.49Å; E23-K27 PolarHBondContact O-N 3.09Å; E23-K27 WeakPolarHBondContact OE1-CE 3.2Å; E23-K27 IonicContact OE1-NZ 3.35Å; E23-K27 PolarHBondContact OE1-NZ 2.86Å
24E92.4Very high93.5Very high47 Ų4769.3 Ų69.322%0.2234%0.335CS..Hα-helixtrans-72.3-34178.6-72.2-56.2134.800111.9L20 P21 A22 K27 R28L20-E24 HydrophobicContact CD2-CB 4.49Å; P21-E24 PolarHBondContact O-N 3.5Å; P21-E24 VanDerWaalsContact O-N 3.11Å; A22-E24 PolarHBondContact O-N 2.91Å; E24-K27 IonicContact OE1-NZ 3.31Å; E24-K27 PolarHBondContact OE1-NZ 3.02Å; E24-R28 WeakPolarHBondContact O-CB 3.38Å; E24-R28 PolarHBondContact O-N 2.78Å
25Y93.5Very high93.6Very high114 Ų11468 Ų6845%0.44734%0.339SS..Hα-helixtrans-60.3-47.9171.9-179.6-87000111.2V17 P21 A22 R28 A29V17-Y25 HydrophobicContact CG1-CD2 3.89Å; V17-Y25 HydrophobicContact CG1-CE2 3.76Å; P21-Y25 PolarHBondContact O-N 3.28Å; A22-Y25 WeakPolarHBondContact O-CB 3.25Å; A22-Y25 PolarHBondContact O-N 3.4Å; Y25-R28 WeakPolarHBondContact O-CB 3.46Å; Y25-R28 PolarHBondContact O-N 3.22Å; Y25-A29 PolarHBondContact O-N 3.34Å
26D94.9Very high93.7Very high100 Ų10070.9 Ų70.954%0.53536%0.363SS..Hα-helixtrans-66-42.3-179.8-70.6-18.7000111.8A22 E23 R28 A29 F30A22-D26 VanDerWaalsContact O-CG 3.3Å; A22-D26 PolarHBondContact O-N 2.88Å; E23-D26 PolarHBondContact O-N 2.97Å; D26-R28 VanDerWaalsContact C-N 3.29Å; D26-R28 PolarHBondContact O-N 3.44Å; D26-A29 PolarHBondContact O-N 3.22Å; D26-F30 WeakPolarHBondContact O-CB 3.49Å; D26-F30 PolarHBondContact O-N 3.3Å
27K93.3Very high93.8Very high81 Ų8175.7 Ų75.735%0.35239%0.385SS..Hα-helixtrans-57.5-43.1172.9-73.6171.7-171.9163.50111.4E23 E24 F30 R31E23-K27 VanDerWaalsContact O-CG 3.29Å; E23-K27 WeakPolarHBondContact O-CG 3.49Å; E23-K27 PolarHBondContact O-N 3.09Å; E23-K27 WeakPolarHBondContact OE1-CE 3.2Å; E23-K27 IonicContact OE1-NZ 3.35Å; E23-K27 PolarHBondContact OE1-NZ 2.86Å; E24-K27 IonicContact OE1-NZ 3.31Å; E24-K27 PolarHBondContact OE1-NZ 3.02Å; K27-F30 PolarHBondContact O-N 3.47Å; K27-R31 WeakPolarHBondContact O-CG 3.41Å; K27-R31 PolarHBondContact O-N 2.76Å; K27-R31 VanDerWaalsContact O-N 3.12Å
28R92.5Very high93.9Very high46 Ų4676.4 Ų76.417%0.17439%0.388CS..Hα-helixtrans-63.2-47.3175.1177.5-177.8-179.2-96.3-2111.5E24 Y25 D26 F30 R31 L32 Y59E24-R28 WeakPolarHBondContact O-CB 3.38Å; E24-R28 PolarHBondContact O-N 2.78Å; Y25-R28 WeakPolarHBondContact O-CB 3.46Å; Y25-R28 PolarHBondContact O-N 3.22Å; D26-R28 VanDerWaalsContact C-N 3.29Å; D26-R28 PolarHBondContact O-N 3.44Å; R28-F30 VanDerWaalsContact C-N 3.3Å; R28-F30 PolarHBondContact O-N 3.49Å; R28-R31 PolarHBondContact O-N 2.72Å; R28-L32 HydrophobicContact CG-CD1 4.13Å; R28-L32 WeakPolarHBondContact O-CG 3.21Å; R28-L32 PolarHBondContact O-N 3.26Å; R28-Y59 HydrophobicContact CB-CE2 4.42Å; R28-Y59 WeakPolarHBondContact CD-OH 3.48Å; R28-Y59 WeakPolarHBondContact CG-OH 3.39Å
29A93.3Very high94.1Very high41 Ų4174.2 Ų74.234%0.33939%0.393SS..Hα-helixtrans-58.7-42.8178.300000111.5Y25 D26 L32 M33Y25-A29 PolarHBondContact O-N 3.34Å; D26-A29 PolarHBondContact O-N 3.22Å; A29-L32 PolarHBondContact O-N 3.17Å; A29-M33 WeakPolarHBondContact O-CB 3.17Å; A29-M33 PolarHBondContact O-N 3.32Å
30F94.6Very high94.2Very high121 Ų12177.5 Ų77.553%0.53142%0.416SS..Hα-helixtrans-61.1-45.4175.8-179.4-99.6000112.6D26 K27 R28 L32 M33 R34D26-F30 WeakPolarHBondContact O-CB 3.49Å; D26-F30 PolarHBondContact O-N 3.3Å; K27-F30 PolarHBondContact O-N 3.47Å; R28-F30 VanDerWaalsContact C-N 3.3Å; R28-F30 PolarHBondContact O-N 3.49Å; F30-L32 PolarHBondContact O-N 3.19Å; F30-M33 HydrophobicContact CD2-CE 4.13Å; F30-M33 PolarHBondContact O-N 2.86Å; F30-R34 WeakPolarHBondContact O-CB 3.5Å; F30-R34 PolarHBondContact O-N 3.38Å
31R93.1Very high94.4Very high43 Ų4382 Ų8216%0.16243%0.434CS..Hα-helixtrans-61.1-43.6177.1-70.8-172.1-55.3-93.91.3111.9M1 D4 K27 R28 R34 A35 Y59M1-R31 PolarHBondContact SD-NH1 3.2Å; D4-R31 IonicContact OD1-CZ 2.72Å; D4-R31 IonicContact OD1-NE 2.97Å; D4-R31 PolarHBondContact OD1-NE 3.11Å; D4-R31 IonicContact OD1-NH2 3.64Å; D4-R31 PolarHBondContact OD1-NH2 3.49Å; D4-R31 WeakPolarHBondContact OD2-CD 3.13Å; D4-R31 IonicContact OD2-CZ 2.86Å; D4-R31 IonicContact OD2-NE 3.86Å; D4-R31 PolarHBondContact OD2-NE 3.49Å; D4-R31 IonicContact OD2-NH2 3.8Å; K27-R31 WeakPolarHBondContact O-CG 3.41Å; K27-R31 PolarHBondContact O-N 2.76Å; K27-R31 VanDerWaalsContact O-N 3.12Å; R28-R31 PolarHBondContact O-N 2.72Å; R31-R34 PolarHBondContact O-N 2.62Å; R31-A35 WeakPolarHBondContact O-CB 3.31Å; R31-A35 PolarHBondContact O-N 3.01Å; R31-Y59 PolarHBondContact NH2-OH 3.22Å
32L93.3Very high94.4Very high66 Ų6686.3 Ų86.335%0.34645%0.447SS..Hα-helixtrans-66-44.2177.8-70174.5000112D4 R28 A29 F30 R34 A35 A36D4-L32 HydrophobicContact CB-CD2 4.09Å; R28-L32 HydrophobicContact CG-CD1 4.13Å; R28-L32 WeakPolarHBondContact O-CG 3.21Å; R28-L32 PolarHBondContact O-N 3.26Å; A29-L32 PolarHBondContact O-N 3.17Å; F30-L32 PolarHBondContact O-N 3.19Å; L32-R34 PolarHBondContact O-N 2.97Å; L32-A35 PolarHBondContact O-N 2.97Å; L32-A36 WeakPolarHBondContact O-CB 3.29Å; L32-A36 PolarHBondContact O-N 3.4Å
33M95.3Very high94.5Very high121 Ų12188.1 Ų88.160%0.59644%0.444SS*.Hα-helixtrans-61.4-44.2176.7-176.7176.867.600111.5A29 F30 A36 Q37A29-M33 WeakPolarHBondContact O-CB 3.17Å; A29-M33 PolarHBondContact O-N 3.32Å; F30-M33 HydrophobicContact CD2-CE 4.13Å; F30-M33 PolarHBondContact O-N 2.86Å; M33-A36 PolarHBondContact O-N 3.02Å; M33-Q37 WeakPolarHBondContact O-CB 3.37Å; M33-Q37 PolarHBondContact O-N 3.38Å
34R94.4Very high94.4Very high74 Ų7492.2 Ų92.228%0.27946%0.455SS..Hα-helixtrans-62-44175.9-176.2-175.2-175.4-1697.3111.8F30 R31 L32 A36 Q37 L38 L45 Q49F30-R34 WeakPolarHBondContact O-CB 3.5Å; F30-R34 PolarHBondContact O-N 3.38Å; R31-R34 PolarHBondContact O-N 2.62Å; L32-R34 PolarHBondContact O-N 2.97Å; R34-A36 VanDerWaalsContact C-N 3.35Å; R34-Q37 PolarHBondContact O-N 3.47Å; R34-L38 HydrophobicContact CG-CD1 4.13Å; R34-L38 VanDerWaalsContact O-CG 3.32Å; R34-L38 WeakPolarHBondContact O-CG 3.29Å; R34-L38 PolarHBondContact O-N 3Å; R34-L45 VanDerWaalsContact NE-CD1 3.34Å; R34-Q49 VanDerWaalsContact NH2-CD 3.33Å
35A93.5Very high94.4Very high55 Ų5591.9 Ų91.946%0.45545%0.454SS..Hα-helixtrans-61.7-43.3176.200000111.5R31 L32 L38 S39R31-A35 WeakPolarHBondContact O-CB 3.31Å; R31-A35 PolarHBondContact O-N 3.01Å; L32-A35 PolarHBondContact O-N 2.97Å; A35-L38 PolarHBondContact O-N 3.22Å; A35-S39 WeakPolarHBondContact O-CB 3.26Å; A35-S39 PolarHBondContact O-N 2.84Å
36A94.7Very high94.4Very high63 Ų6389.6 Ų89.652%0.52145%0.454SS..Hα-helixtrans-62.2-42.8175.800000112.1L32 M33 R34 S39 L40L32-A36 WeakPolarHBondContact O-CB 3.29Å; L32-A36 PolarHBondContact O-N 3.4Å; M33-A36 PolarHBondContact O-N 3.02Å; R34-A36 VanDerWaalsContact C-N 3.35Å; A36-S39 PolarHBondContact O-N 3.29Å; A36-L40 WeakPolarHBondContact O-CB 3.47Å; A36-L40 PolarHBondContact O-N 3.03Å
37Q96.4Very high94.3Very high101 Ų10193 Ų9347%0.47246%0.464SS..Hα-helixtrans-62.2-44.8176.9-173.9-17516.100112.2M33 R34 L40 K41M33-Q37 WeakPolarHBondContact O-CB 3.37Å; M33-Q37 PolarHBondContact O-N 3.38Å; R34-Q37 PolarHBondContact O-N 3.47Å; Q37-L40 PolarHBondContact O-N 3.37Å; Q37-K41 WeakPolarHBondContact O-CG 3.47Å; Q37-K41 PolarHBondContact O-N 3.29Å; Q37-K41 VanDerWaalsContact O-N 3.11Å
38L95.3Very high94.2Very high32 Ų3294.4 Ų94.417%0.16848%0.484CS..Hα-helixtrans-65-42.6177.3-71.8167000111.3R34 A35 L40 K41 H42 E43 L45R34-L38 HydrophobicContact CG-CD1 4.13Å; R34-L38 VanDerWaalsContact O-CG 3.32Å; R34-L38 WeakPolarHBondContact O-CG 3.29Å; R34-L38 PolarHBondContact O-N 3Å; A35-L38 PolarHBondContact O-N 3.22Å; L38-L40 VanDerWaalsContact C-N 3.32Å; L38-L40 PolarHBondContact O-N 3.18Å; L38-K41 CarbonylContact O-C 3.59Å; L38-K41 PolarHBondContact O-N 2.96Å; L38-H42 PolarHBondContact O-N 3.28Å; L38-E43 WeakPolarHBondContact CB-O 3.37Å; L38-E43 HydrophobicContact CD2-CB 4.26Å; L38-E43 PolarHBondContact O-N 3.28Å; L38-L45 HydrophobicContact CD1-CB 4.02Å; L38-L45 HydrophobicContact CD1-CD1 3.53Å; L38-L45 HydrophobicContact CD1-CG 4.36Å
39S95.1Very high94.2Very high86 Ų8696.8 Ų96.860%0.60150%0.497SS*.Hα-helixtrans-60.1-41.7175.3-172.90000111.9A35 A36 K41 H42A35-S39 WeakPolarHBondContact O-CB 3.26Å; A35-S39 PolarHBondContact O-N 2.84Å; A36-S39 PolarHBondContact O-N 3.29Å; S39-K41 VanDerWaalsContact C-N 3.32Å; S39-K41 PolarHBondContact O-N 3.34Å; S39-H42 PolarHBondContact O-N 3.02Å
40L96.6Very high94.1Very high142 Ų142101.6 Ų101.674%0.74351%0.506SS*.Hα-helixtrans-64.4-36.6176.9-179.864.9000112.2A36 Q37 L38 H42A36-L40 WeakPolarHBondContact O-CB 3.47Å; A36-L40 PolarHBondContact O-N 3.03Å; Q37-L40 PolarHBondContact O-N 3.37Å; L38-L40 VanDerWaalsContact C-N 3.32Å; L38-L40 PolarHBondContact O-N 3.18Å; L40-H42 VanDerWaalsContact C-N 3.27Å; L40-H42 PolarHBondContact O-N 2.98Å
41K96.8Very high93.8Very high111 Ų11199.3 Ų99.348%0.48350%0.503SS..Hα-helixtrans-80.1-7177.7-68.5179177.5-174.30113.6Q37 L38 S39 E43Q37-K41 WeakPolarHBondContact O-CG 3.47Å; Q37-K41 PolarHBondContact O-N 3.29Å; Q37-K41 VanDerWaalsContact O-N 3.11Å; L38-K41 CarbonylContact O-C 3.59Å; L38-K41 PolarHBondContact O-N 2.96Å; S39-K41 VanDerWaalsContact C-N 3.32Å; S39-K41 PolarHBondContact O-N 3.34Å; K41-E43 HydrophobicContact CB-CB 4.12Å; K41-E43 HydrophobicContact CB-CG 3.92Å; K41-E43 WeakPolarHBondContact CD-OE2 3.5Å; K41-E43 PolarHBondContact O-N 3.29Å
42H95.3Very high93.6Very high171 Ų171103.8 Ų103.879%0.79252%0.523SS*.THydrogen-bonded Turntrans53.432.9-167.5-59-75.4000113L38 S39 L40L38-H42 PolarHBondContact O-N 3.28Å; S39-H42 PolarHBondContact O-N 3.02Å; L40-H42 VanDerWaalsContact C-N 3.27Å; L40-H42 PolarHBondContact O-N 2.98Å
43E95.1Very high93.3Very high109 Ų109110.4 Ų110.451%0.50954%0.544SS..  trans-107147.7179.5-73.3176.5170.500110.6L38 K41L38-E43 WeakPolarHBondContact CB-O 3.37Å; L38-E43 HydrophobicContact CD2-CB 4.26Å; L38-E43 PolarHBondContact O-N 3.28Å; K41-E43 HydrophobicContact CB-CB 4.12Å; K41-E43 HydrophobicContact CB-CG 3.92Å; K41-E43 WeakPolarHBondContact CD-OE2 3.5Å; K41-E43 PolarHBondContact O-N 3.29Å
44Y92.9Very high93Very high212 Ų212112.8 Ų112.883%0.83155%0.553SS**PPolyproline II helixtrans-94.8152.9170.7-61.8-75.8000110.6
45L92.4Very high92.6Very high40 Ų40113.5 Ų113.521%0.20956%0.563CS.*PPolyproline II helixtrans-64.9139.1172.9-162.969000110.6R34 L38 K47 Q49 W50R34-L45 VanDerWaalsContact NE-CD1 3.34Å; L38-L45 HydrophobicContact CD1-CB 4.02Å; L38-L45 HydrophobicContact CD1-CD1 3.53Å; L38-L45 HydrophobicContact CD1-CG 4.36Å; L45-K47 PolarHBondContact O-N 2.86Å; L45-Q49 HydrophobicContact CD1-CB 4.43Å; L45-Q49 HydrophobicContact CD2-CB 3.82Å; L45-Q49 VanDerWaalsContact CD2-O 3.25Å; L45-Q49 WeakPolarHBondContact CD2-O 3.28Å; L45-Q49 HydrophobicContact CG-CB 3.93Å; L45-W50 PolarHBondContact O-NE1 3.3Å
46P93.6Very high92.1Very high66 Ų66112.3 Ų112.343%0.42955%0.548SS..PPolyproline II helixtrans-55.9139.1171.8-25.634.3000111.4S48 Q49P46-S48 PolarHBondContact O-N 3.29Å; P46-S48 VanDerWaalsContact O-N 3.09Å; P46-Q49 PolarHBondContact O-N 3.36Å
47K91.9Very high91.6Very high172 Ų172113.3 Ų113.375%0.74855%0.548SS*.G310 helixtrans-55.4-31.6-176.3-68.5-176.3178.1-179.50113.8L45 Q49 W50L45-K47 PolarHBondContact O-N 2.86Å; K47-Q49 PolarHBondContact O-N 3.09Å; K47-W50 HydrophobicContact CG-CH2 4.48Å; K47-W50 HydrophobicContact CG-CZ2 4.14Å; K47-W50 WeakPolarHBondContact O-CB 3.38Å; K47-W50 PolarHBondContact O-N 3.36Å
48S92.4Very high91.2Very high111 Ų111112.8 Ų112.878%0.77654%0.541SS*.G310 helixtrans-65.4-21177.5550000113.9P46P46-S48 PolarHBondContact O-N 3.29Å; P46-S48 VanDerWaalsContact O-N 3.09Å
49Q91.4Very high90.9Very high95 Ų95112.2 Ų112.244%0.44454%0.537SS..G310 helixtrans-103.54.7-177.9-62.3177.6-700112.5R34 L45 P46 K47R34-Q49 VanDerWaalsContact NH2-CD 3.33Å; L45-Q49 HydrophobicContact CD1-CB 4.43Å; L45-Q49 HydrophobicContact CD2-CB 3.82Å; L45-Q49 VanDerWaalsContact CD2-O 3.25Å; L45-Q49 WeakPolarHBondContact CD2-O 3.28Å; L45-Q49 HydrophobicContact CG-CB 3.93Å; P46-Q49 PolarHBondContact O-N 3.36Å; K47-Q49 PolarHBondContact O-N 3.09Å
50W91.7Very high90.8Very high142 Ų142108.1 Ų108.154%0.53851%0.509SS..SBendtrans-69.5138.3176.8-70.914.8000109.9L45 K47 K52L45-W50 PolarHBondContact O-NE1 3.3Å; K47-W50 HydrophobicContact CG-CH2 4.48Å; K47-W50 HydrophobicContact CG-CZ2 4.14Å; K47-W50 WeakPolarHBondContact O-CB 3.38Å; K47-W50 PolarHBondContact O-N 3.36Å; W50-K52 PolarHBondContact O-N 2.7Å
51T87.7Confident90.5Very high74 Ų74106.1 Ų106.145%0.45450%0.495SS..PPolyproline II helixtrans-62.4119.9172.6-54.50000108.5M1 D55M1-T51 HydrophobicContact CG-CG2 4.34Å; T51-D55 HydrophobicContact CG2-CB 4.49Å
52K89.6Confident90.3Very high136 Ų136104.6 Ų104.659%0.59150%0.497SS*.PPolyproline II helixtrans-77.6157.2172.4-58.8176.8-177.6174.10109.2W50 E54 D55W50-K52 PolarHBondContact O-N 2.7Å; K52-E54 PolarHBondContact O-N 2.82Å; K52-D55 WeakPolarHBondContact CB-OD2 3.46Å; K52-D55 PolarHBondContact O-N 3.27Å; K52-D55 VanDerWaalsContact O-N 3.09Å
53W86.5Confident90.1Very high206 Ų20699 Ų9978%0.7847%0.471SS*.G310 helixtrans-57.3-38.6176.7-178.5-107.6000112.6D55 E56 W58W53-D55 VanDerWaalsContact C-N 3.25Å; W53-D55 PolarHBondContact O-N 3.05Å; W53-E56 PolarHBondContact O-N 3.28Å; W53-W58 HydrophobicContact CH2-CZ2 4Å; W53-W58 HydrophobicContact CZ3-CZ2 4.4Å
54E88.6Confident90Very high170 Ų17093.9 Ų93.979%0.79445%0.447SS*.G310 helixtrans-65.8-26.4178.9-64162.4-165.300113.1K52K52-E54 PolarHBondContact O-N 2.82Å
55D86.2Confident90.1Very high90 Ų9087.1 Ų87.148%0.48143%0.431SS..G310 helixtrans-931.4-177-60.7-43.1000112.8T51 K52 W53 T57T51-D55 HydrophobicContact CG2-CB 4.49Å; K52-D55 WeakPolarHBondContact CB-OD2 3.46Å; K52-D55 PolarHBondContact O-N 3.27Å; K52-D55 VanDerWaalsContact O-N 3.09Å; W53-D55 VanDerWaalsContact C-N 3.25Å; W53-D55 PolarHBondContact O-N 3.05Å; D55-T57 PolarHBondContact O-N 2.89Å
56E84.3Confident90.2Very high29 Ų2987.5 Ų87.514%0.13644%0.439CS..  trans-76.9110.1-178.8-175.665.5-117.500110.5M1 W2 W53 W58M1-E56 WeakPolarHBondContact CA-OE2 3.38Å; M1-E56 WeakPolarHBondContact CB-OE1 3.49Å; M1-E56 VanDerWaalsContact CG-OE1 3.31Å; M1-E56 WeakPolarHBondContact CG-OE1 3.43Å; W2-E56 VanDerWaalsContact N-CD 3.35Å; W2-E56 PolarHBondContact N-OE1 3.2Å; W2-E56 PolarHBondContact N-OE2 2.79Å; W53-E56 PolarHBondContact O-N 3.28Å; E56-W58 HydrophobicContact CG-CZ2 4.44Å; E56-W58 PolarHBondContact O-N 3.46Å
57T82.9Confident90.2Very high85 Ų8584.3 Ų84.352%0.52142%0.419SS..  trans-87.21.9-16952.30000115.2M1 D55 Y59M1-T57 HydrophobicContact CE-CG2 4.45Å; D55-T57 PolarHBondContact O-N 2.89Å; T57-Y59 WeakPolarHBondContact O-CA 3.38Å; T57-Y59 PolarHBondContact O-N 3.23Å
58W88Confident90.3Very high89 Ų8980.9 Ų80.934%0.33740%0.401SS..  trans4036.5-177-6388.7000113.7W2 H3 W53 E56 L60 Q61W2-W58 AromaticContact CD1-CH2 3.57Å; W2-W58 AromaticContact CD1-CZ3 3.47Å; W2-W58 VanDerWaalsContact CD1-CZ3 3.47Å; W2-W58 HydrophobicContact CG-CH2 4.2Å; W2-W58 HydrophobicContact CG-CZ3 4.4Å; H3-W58 VanDerWaalsContact CD2-C 3.48Å; H3-W58 VanDerWaalsContact CD2-CA 3.46Å; H3-W58 WeakPolarHBondContact CD2-CA 3.41Å; H3-W58 AromaticContact CE1-CE3 3.5Å; H3-W58 AromaticContact CE1-CZ3 3.94Å; H3-W58 WeakPolarHBondContact NE2-CA 3.47Å; H3-W58 AromaticContact NE2-CD2 3.89Å; H3-W58 AromaticContact NE2-CE3 3.19Å; W53-W58 HydrophobicContact CH2-CZ2 4Å; W53-W58 HydrophobicContact CZ3-CZ2 4.4Å; E56-W58 HydrophobicContact CG-CZ2 4.44Å; E56-W58 PolarHBondContact O-N 3.46Å; W58-L60 PolarHBondContact O-N 2.86Å; W58-Q61 HydrophobicContact CB-CB 4.27Å; W58-Q61 VanDerWaalsContact O-CB 3.28Å; W58-Q61 WeakPolarHBondContact O-CB 3.17Å; W58-Q61 PolarHBondContact O-N 3.24Å
59Y90.1Very high90.4Very high21 Ų2182.2 Ų82.28%0.08239%0.393CS..THydrogen-bonded Turntrans-60.6-25.9-161.868.4-88.2000114.1M1 H3 D4 L20 R28 R31 T57M1-Y59 HydrophobicContact CB-CE1 4.22Å; M1-Y59 HydrophobicContact SD-CD1 3.87Å; M1-Y59 HydrophobicContact SD-CE1 4.07Å; H3-Y59 HydrophobicContact CB-CD1 4.45Å; H3-Y59 HydrophobicContact CB-CE1 3.76Å; D4-Y59 PolarHBondContact OD1-OH 3.21Å; L20-Y59 HydrophobicContact CD1-CD2 4.14Å; L20-Y59 HydrophobicContact CD1-CE2 3.89Å; L20-Y59 HydrophobicContact CD2-CD2 4.24Å; R28-Y59 HydrophobicContact CB-CE2 4.42Å; R28-Y59 WeakPolarHBondContact CD-OH 3.48Å; R28-Y59 WeakPolarHBondContact CG-OH 3.39Å; R31-Y59 PolarHBondContact NH2-OH 3.22Å; T57-Y59 WeakPolarHBondContact O-CA 3.38Å; T57-Y59 PolarHBondContact O-N 3.23Å
60L91.8Very high90.6Very high0 Ų081 Ų810%039%0.387CS..THydrogen-bonded Turntrans-88.1-20.1-177.9-163.364.2000112.4H3 V13 A16 V17 L20 W58 Q63 L64H3-L60 HydrophobicContact CB-CB 3.88Å; H3-L60 HydrophobicContact CB-CD2 4.23Å; V13-L60 HydrophobicContact CG1-CD2 4.3Å; A16-L60 HydrophobicContact CB-CD1 3.77Å; A16-L60 HydrophobicContact CB-CG 4.25Å; V17-L60 HydrophobicContact CG2-CD1 4.13Å; L20-L60 HydrophobicContact CD1-CD1 3.88Å; L20-L60 HydrophobicContact CD2-CD1 4.19Å; L20-L60 HydrophobicContact CG-CD1 4.12Å; W58-L60 PolarHBondContact O-N 2.86Å; L60-Q63 PolarHBondContact O-N 3.35Å; L60-L64 HydrophobicContact CB-CD1 4.15Å; L60-L64 HydrophobicContact CD2-CD1 3.95Å; L60-L64 HydrophobicContact CD2-CG 4.3Å; L60-L64 HydrophobicContact CG-CD1 3.78Å; L60-L64 HydrophobicContact CG-CG 3.9Å; L60-L64 WeakPolarHBondContact O-CG 3.28Å; L60-L64 PolarHBondContact O-N 3.33Å
61Q90.8Very high90.7Very high100 Ų10075.9 Ų75.947%0.46737%0.368SS..Hα-helixtrans-59.7-41.6-173.3-175.2164.5-10.100114.3W58 Q63 L64 S65W58-Q61 HydrophobicContact CB-CB 4.27Å; W58-Q61 VanDerWaalsContact O-CB 3.28Å; W58-Q61 WeakPolarHBondContact O-CB 3.17Å; W58-Q61 PolarHBondContact O-N 3.24Å; Q61-Q63 VanDerWaalsContact C-N 3.35Å; Q61-Q63 PolarHBondContact O-N 3.07Å; Q61-L64 PolarHBondContact O-N 3.02Å; Q61-S65 WeakPolarHBondContact O-CB 3.15Å; Q61-S65 PolarHBondContact O-N 2.91Å; Q61-S65 PolarHBondContact O-OG 2.87Å
62P92.7Very high91.1Very high79 Ų7974.2 Ų74.251%0.51336%0.362SS..Hα-helixtrans-58.6-46.3175.6-24.935.1000112.1S65 A66P62-S65 PolarHBondContact O-N 3.4Å; P62-S65 PolarHBondContact O-OG 3.32Å; P62-A66 PolarHBondContact O-N 3.37Å; P62-A66 VanDerWaalsContact O-N 3.13Å
63Q92.2Very high91.4Very high54 Ų5471.4 Ų71.425%0.25235%0.353SS..Hα-helixtrans-66.8-42.6178.7-65-58.3-28.200111.9A16 L20 L60 Q61 S65 A66 I67A16-Q63 HydrophobicContact CB-CB 4.02Å; L20-Q63 HydrophobicContact CD2-CG 4.04Å; L60-Q63 PolarHBondContact O-N 3.35Å; Q61-Q63 VanDerWaalsContact C-N 3.35Å; Q61-Q63 PolarHBondContact O-N 3.07Å; Q63-S65 PolarHBondContact O-N 3Å; Q63-A66 PolarHBondContact O-N 3.06Å; Q63-I67 WeakPolarHBondContact O-CB 3.35Å; Q63-I67 WeakPolarHBondContact O-CD1 3.45Å; Q63-I67 VanDerWaalsContact O-CG1 3.3Å; Q63-I67 WeakPolarHBondContact O-CG1 3.49Å; Q63-I67 PolarHBondContact O-N 3.19Å
64L92.8Very high91.8Very high1 Ų165.9 Ų65.91%0.00533%0.333CS..Hα-helixtrans-59.4-46176.6-73.2164.5000111.7Y6 I12 V13 A16 L60 Q61 A66 I67 R68Y6-L64 HydrophobicContact CD1-CD1 4.08Å; Y6-L64 HydrophobicContact CD1-CD2 4.48Å; Y6-L64 HydrophobicContact CE1-CD1 3.32Å; Y6-L64 HydrophobicContact CE1-CD2 4Å; Y6-L64 HydrophobicContact CE1-CG 4.3Å; I12-L64 HydrophobicContact CG2-CD2 3.84Å; V13-L64 HydrophobicContact CG2-CD2 4.35Å; A16-L64 HydrophobicContact CB-CD2 3.9Å; A16-L64 HydrophobicContact CB-CG 4.18Å; L60-L64 HydrophobicContact CB-CD1 4.15Å; L60-L64 HydrophobicContact CD2-CD1 3.95Å; L60-L64 HydrophobicContact CD2-CG 4.3Å; L60-L64 HydrophobicContact CG-CD1 3.78Å; L60-L64 HydrophobicContact CG-CG 3.9Å; L60-L64 WeakPolarHBondContact O-CG 3.28Å; L60-L64 PolarHBondContact O-N 3.33Å; Q61-L64 PolarHBondContact O-N 3.02Å; L64-A66 PolarHBondContact O-N 2.96Å; L64-I67 PolarHBondContact O-N 2.76Å; L64-R68 WeakPolarHBondContact O-CB 3.47Å; L64-R68 VanDerWaalsContact O-CG 3.25Å; L64-R68 WeakPolarHBondContact O-CG 3.38Å; L64-R68 PolarHBondContact O-N 2.96Å
65S93.4Very high92.1Very high69 Ų6965.1 Ų65.148%0.48332%0.323SS..Hα-helixtrans-62.1-43179.270.10000112.2Q61 P62 Q63 K69Q61-S65 WeakPolarHBondContact O-CB 3.15Å; Q61-S65 PolarHBondContact O-N 2.91Å; Q61-S65 PolarHBondContact O-OG 2.87Å; P62-S65 PolarHBondContact O-N 3.4Å; P62-S65 PolarHBondContact O-OG 3.32Å; Q63-S65 PolarHBondContact O-N 3Å; S65-K69 WeakPolarHBondContact O-CB 3.28Å; S65-K69 PolarHBondContact O-N 3.02Å; S65-K69 VanDerWaalsContact O-N 3.09Å
66A94.6Very high92.5Very high48 Ų4868.9 Ų68.940%0.39734%0.335SS..Hα-helixtrans-63.5-46.5177.800000111.7P62 Q63 L64 K69 E70P62-A66 PolarHBondContact O-N 3.37Å; P62-A66 VanDerWaalsContact O-N 3.13Å; Q63-A66 PolarHBondContact O-N 3.06Å; L64-A66 PolarHBondContact O-N 2.96Å; A66-K69 WeakPolarHBondContact O-CB 3.3Å; A66-K69 PolarHBondContact O-N 3.01Å; A66-E70 PolarHBondContact O-N 3.43Å
67I94.5Very high93.1Very high0 Ų074.5 Ų74.50%037%0.365CS..Hα-helixtrans-70.2-37.9-178.7-67.7165.1000111.6I12 E15 A16 Q63 L64 K69 E70 Y71 W84I12-I67 HydrophobicContact CB-CG2 4.44Å; I12-I67 HydrophobicContact CG1-CG2 4.47Å; I12-I67 HydrophobicContact CG2-CB 4.46Å; I12-I67 HydrophobicContact CG2-CG2 3.95Å; E15-I67 HydrophobicContact CB-CD1 4.12Å; E15-I67 HydrophobicContact CG-CD1 3.9Å; E15-I67 HydrophobicContact CG-CG1 4.4Å; E15-I67 HydrophobicContact CG-CG2 4.47Å; A16-I67 HydrophobicContact CB-CD1 3.66Å; Q63-I67 WeakPolarHBondContact O-CB 3.35Å; Q63-I67 WeakPolarHBondContact O-CD1 3.45Å; Q63-I67 VanDerWaalsContact O-CG1 3.3Å; Q63-I67 WeakPolarHBondContact O-CG1 3.49Å; Q63-I67 PolarHBondContact O-N 3.19Å; L64-I67 PolarHBondContact O-N 2.76Å; I67-K69 VanDerWaalsContact C-N 3.29Å; I67-K69 PolarHBondContact O-N 3.24Å; I67-E70 PolarHBondContact O-N 3.32Å; I67-Y71 VanDerWaalsContact O-CB 3.29Å; I67-Y71 WeakPolarHBondContact O-CB 3.17Å; I67-Y71 PolarHBondContact O-N 2.93Å; I67-W84 HydrophobicContact CG2-CH2 3.33Å; I67-W84 HydrophobicContact CG2-CZ2 3.85Å; I67-W84 HydrophobicContact CG2-CZ3 3.81Å
68R93.7Very high93.6Very high99 Ų9973.2 Ų73.237%0.37436%0.357SS..Hα-helixtrans-60.5-41.8173.3-76.8-179.7-158.5154.616.7111.4Y6 E8 I12 L64 A72Y6-R68 PolarHBondContact OH-NH2 3.02Å; E8-R68 IonicContact OE1-CZ 3.29Å; E8-R68 IonicContact OE1-NH1 2.81Å; E8-R68 IonicContact OE1-NH2 2.71Å; E8-R68 PolarHBondContact OE1-NH2 2.92Å; E8-R68 IonicContact OE2-CZ 3.24Å; E8-R68 VanDerWaalsContact OE2-CZ 3.31Å; E8-R68 IonicContact OE2-NE 2.75Å; E8-R68 PolarHBondContact OE2-NE 3.35Å; E8-R68 IonicContact OE2-NH2 2.96Å; E8-R68 PolarHBondContact OE2-NH2 2.94Å; I12-R68 HydrophobicContact CD1-CG 4.24Å; I12-R68 HydrophobicContact CG2-CG 4.21Å; L64-R68 WeakPolarHBondContact O-CB 3.47Å; L64-R68 VanDerWaalsContact O-CG 3.25Å; L64-R68 WeakPolarHBondContact O-CG 3.38Å; L64-R68 PolarHBondContact O-N 2.96Å; R68-A72 VanDerWaalsContact O-CB 3.31Å; R68-A72 WeakPolarHBondContact O-CB 3.36Å; R68-A72 PolarHBondContact O-N 2.71Å
69K95.6Very high93.8Very high140 Ų14072.1 Ų72.161%0.60937%0.373SS*.Hα-helixtrans-62.5-50.6175.4-175.7178.3178.4-177.10110.7S65 A66 I67 Y71 A72 D73S65-K69 WeakPolarHBondContact O-CB 3.28Å; S65-K69 PolarHBondContact O-N 3.02Å; S65-K69 VanDerWaalsContact O-N 3.09Å; A66-K69 WeakPolarHBondContact O-CB 3.3Å; A66-K69 PolarHBondContact O-N 3.01Å; I67-K69 VanDerWaalsContact C-N 3.29Å; I67-K69 PolarHBondContact O-N 3.24Å; K69-Y71 VanDerWaalsContact C-N 3.34Å; K69-Y71 PolarHBondContact O-N 3.17Å; K69-A72 PolarHBondContact O-N 2.84Å; K69-D73 WeakPolarHBondContact O-CB 3.39Å; K69-D73 VanDerWaalsContact O-CG 3.25Å; K69-D73 PolarHBondContact O-N 2.94Å
70E95.2Very high93.9Very high68 Ų6877.5 Ų77.532%0.31840%0.401SS..Hα-helixtrans-57-45.4177.1-172.5-175.3147.200112.1R19 A66 I67 D73 Y74 W84R19-E70 IonicContact CZ-OE2 3.27Å; R19-E70 VanDerWaalsContact CZ-OE2 3.29Å; R19-E70 IonicContact NH1-OE2 3.2Å; R19-E70 PolarHBondContact NH1-OE2 2.87Å; R19-E70 IonicContact NH2-OE1 3.32Å; R19-E70 PolarHBondContact NH2-OE1 3.21Å; R19-E70 IonicContact NH2-OE2 3.42Å; R19-E70 PolarHBondContact NH2-OE2 3.2Å; A66-E70 PolarHBondContact O-N 3.43Å; I67-E70 PolarHBondContact O-N 3.32Å; E70-D73 PolarHBondContact O-N 3.44Å; E70-Y74 VanDerWaalsContact O-CB 3.26Å; E70-Y74 WeakPolarHBondContact O-CB 3.3Å; E70-Y74 PolarHBondContact O-N 3.43Å; E70-W84 PolarHBondContact OE1-NE1 3.35Å
71Y94.5Very high93.9Very high36 Ų3681.7 Ų81.714%0.14142%0.419CS..Hα-helixtrans-61.4-46.5177.4-173.3-87.2000111.9I67 K69 R75 K81 P82 W84 A85I67-Y71 VanDerWaalsContact O-CB 3.29Å; I67-Y71 WeakPolarHBondContact O-CB 3.17Å; I67-Y71 PolarHBondContact O-N 2.93Å; K69-Y71 VanDerWaalsContact C-N 3.34Å; K69-Y71 PolarHBondContact O-N 3.17Å; Y71-R75 WeakPolarHBondContact O-CB 3.33Å; Y71-R75 PolarHBondContact O-N 3.07Å; Y71-K81 HydrophobicContact CE2-CB 4.45Å; Y71-K81 HydrophobicContact CE2-CD 4.37Å; Y71-K81 HydrophobicContact CE2-CG 4.22Å; Y71-K81 VanDerWaalsContact OH-CE 3.3Å; Y71-K81 WeakPolarHBondContact OH-CE 3.37Å; Y71-K81 WeakPolarHBondContact OH-CG 3.11Å; Y71-P82 HydrophobicContact CD2-CG 3.76Å; Y71-P82 HydrophobicContact CE2-CG 4.33Å; Y71-W84 AromaticContact CD2-CH2 3.58Å; Y71-W84 HydrophobicContact CD2-CH2 3.58Å; Y71-W84 HydrophobicContact CD2-CZ2 4.23Å; Y71-W84 HydrophobicContact CD2-CZ3 4.21Å; Y71-W84 HydrophobicContact CG-CH2 4.19Å; Y71-A85 HydrophobicContact CD2-CB 4.38Å; Y71-A85 HydrophobicContact CE2-CB 4.02Å
72A94.9Very high94Very high38 Ų3877 Ų7731%0.31440%0.397SS..Hα-helixtrans-64.7-43.2179.600000111.5R68 K69 K76R68-A72 VanDerWaalsContact O-CB 3.31Å; R68-A72 WeakPolarHBondContact O-CB 3.36Å; R68-A72 PolarHBondContact O-N 2.71Å; K69-A72 PolarHBondContact O-N 2.84Å; A72-K76 WeakPolarHBondContact O-CB 3.44Å; A72-K76 VanDerWaalsContact O-CG 3.24Å; A72-K76 WeakPolarHBondContact O-CG 3.34Å; A72-K76 PolarHBondContact O-N 2.94Å
73D96.2Very high93.9Very high77 Ų7780.1 Ų80.141%0.41240%0.4SS..Hα-helixtrans-67.5-44.4179.6-68-16.7000111.1K69 E70 R75 K76 L77K69-D73 WeakPolarHBondContact O-CB 3.39Å; K69-D73 VanDerWaalsContact O-CG 3.25Å; K69-D73 PolarHBondContact O-N 2.94Å; E70-D73 PolarHBondContact O-N 3.44Å; D73-R75 PolarHBondContact O-N 2.97Å; D73-K76 PolarHBondContact O-N 2.81Å; D73-L77 WeakPolarHBondContact O-CB 3.29Å; D73-L77 PolarHBondContact O-N 2.75Å
74Y95.2Very high93.9Very high90 Ų9078 Ų7835%0.35339%0.389SS..Hα-helixtrans-62.4-43.5176.4-171-85.5000112.1E70 K76 L77 T78 M80 K81 P82E70-Y74 VanDerWaalsContact O-CB 3.26Å; E70-Y74 WeakPolarHBondContact O-CB 3.3Å; E70-Y74 PolarHBondContact O-N 3.43Å; Y74-K76 VanDerWaalsContact C-N 3.34Å; Y74-K76 PolarHBondContact O-N 3.31Å; Y74-L77 PolarHBondContact O-N 3.42Å; Y74-T78 HydrophobicContact CD1-CG2 4.35Å; Y74-T78 VanDerWaalsContact CD1-OG1 3.32Å; Y74-T78 WeakPolarHBondContact CD1-OG1 3.48Å; Y74-T78 HydrophobicContact CD2-CG2 4.45Å; Y74-T78 HydrophobicContact CE1-CG2 3.98Å; Y74-T78 WeakPolarHBondContact CE1-OG1 3.49Å; Y74-T78 HydrophobicContact CE2-CG2 4.1Å; Y74-T78 PolarHBondContact O-N 3.13Å; Y74-T78 PolarHBondContact O-OG1 3.48Å; Y74-M80 WeakPolarHBondContact CD1-O 3.31Å; Y74-M80 HydrophobicContact CE1-CB 4.33Å; Y74-K81 WeakPolarHBondContact CE1-O 3.35Å; Y74-P82 HydrophobicContact CD1-CB 3.88Å; Y74-P82 HydrophobicContact CD1-CG 4.4Å; Y74-P82 HydrophobicContact CD2-CB 4.26Å; Y74-P82 HydrophobicContact CE1-CB 4.21Å; Y74-P82 HydrophobicContact CG-CB 3.91Å
75R94.6Very high93.9Very high155 Ų15578.1 Ų78.159%0.58539%0.39SS*.Hα-helixtrans-65.2-36.6177.7-178.3176.9159.6-175.8-4.7112Y71 D73 G79 M80Y71-R75 WeakPolarHBondContact O-CB 3.33Å; Y71-R75 PolarHBondContact O-N 3.07Å; D73-R75 PolarHBondContact O-N 2.97Å; R75-G79 WeakPolarHBondContact O-CA 3.26Å; R75-G79 PolarHBondContact O-N 3.44Å; R75-M80 WeakPolarHBondContact CA-O 3.25Å
76K95.2Very high93.7Very high168 Ų16876.5 Ų76.573%0.7338%0.378SS*.Hα-helixtrans-66.6-40.3173.6-75.3170-175.2173.30112.1A72 D73 Y74A72-K76 WeakPolarHBondContact O-CB 3.44Å; A72-K76 VanDerWaalsContact O-CG 3.24Å; A72-K76 WeakPolarHBondContact O-CG 3.34Å; A72-K76 PolarHBondContact O-N 2.94Å; D73-K76 PolarHBondContact O-N 2.81Å; Y74-K76 VanDerWaalsContact C-N 3.34Å; Y74-K76 PolarHBondContact O-N 3.31Å
77L95.2Very high93.3Very high147 Ų14777.7 Ų77.777%0.7737%0.372SS*.Hα-helixtrans-74.3-43.4-176.9-177.964.9000113D73 Y74D73-L77 WeakPolarHBondContact O-CB 3.29Å; D73-L77 PolarHBondContact O-N 2.75Å; Y74-L77 PolarHBondContact O-N 3.42Å
78T94.2Very high92.6Very high59 Ų5978.8 Ų78.836%0.36238%0.379SS..Hα-helixtrans-109.7-17.2-169.166.40000113.9Y74 M80Y74-T78 HydrophobicContact CD1-CG2 4.35Å; Y74-T78 VanDerWaalsContact CD1-OG1 3.32Å; Y74-T78 WeakPolarHBondContact CD1-OG1 3.48Å; Y74-T78 HydrophobicContact CD2-CG2 4.45Å; Y74-T78 HydrophobicContact CE1-CG2 3.98Å; Y74-T78 WeakPolarHBondContact CE1-OG1 3.49Å; Y74-T78 HydrophobicContact CE2-CG2 4.1Å; Y74-T78 PolarHBondContact O-N 3.13Å; Y74-T78 PolarHBondContact O-OG1 3.48Å; T78-M80 PolarHBondContact O-N 2.8Å; T78-M80 PolarHBondContact OG1-N 3.09Å; T78-M80 VanDerWaalsContact OG1-N 3.09Å
79G93.4Very high92Very high65 Ų6577.9 Ų77.967%0.6739%0.389SS*.SBendtrans71.8-3.5-16800000114.4R75R75-G79 WeakPolarHBondContact O-CA 3.26Å; R75-G79 PolarHBondContact O-N 3.44Å
80M91.8Very high91.3Very high134 Ų13478.4 Ų78.466%0.6639%0.388SS*.SBendtrans-108.5168.7-175.7-63.1-172.8-179.900112Y74 R75 T78Y74-M80 WeakPolarHBondContact CD1-O 3.31Å; Y74-M80 HydrophobicContact CE1-CB 4.33Å; R75-M80 WeakPolarHBondContact CA-O 3.25Å; T78-M80 PolarHBondContact O-N 2.8Å; T78-M80 PolarHBondContact OG1-N 3.09Å; T78-M80 VanDerWaalsContact OG1-N 3.09Å
81K91.3Very high90.7Very high89 Ų8980.2 Ų80.239%0.38740%0.396SS..  trans-78.5144.6166.8-65.8-165.7178.1-166.50109.9E11 Y71 Y74 A85 T86E11-K81 IonicContact OE1-NZ 3.23Å; E11-K81 PolarHBondContact OE1-NZ 2.88Å; E11-K81 IonicContact OE2-NZ 2.79Å; E11-K81 PolarHBondContact OE2-NZ 3.43Å; Y71-K81 HydrophobicContact CE2-CB 4.45Å; Y71-K81 HydrophobicContact CE2-CD 4.37Å; Y71-K81 HydrophobicContact CE2-CG 4.22Å; Y71-K81 VanDerWaalsContact OH-CE 3.3Å; Y71-K81 WeakPolarHBondContact OH-CE 3.37Å; Y71-K81 WeakPolarHBondContact OH-CG 3.11Å; Y74-K81 WeakPolarHBondContact CE1-O 3.35Å; K81-A85 HydrophobicContact CB-CB 4.31Å; K81-A85 HydrophobicContact CD-CB 4.47Å; K81-T86 HydrophobicContact CB-CG2 4.09Å; K81-T86 HydrophobicContact CD-CG2 4.41Å
82P93Very high89.9Confident1 Ų185.1 Ų85.11%0.00642%0.418CS..  trans-64.6152.1172.727-32.7000110.9Y71 Y74 W84 A85Y71-P82 HydrophobicContact CD2-CG 3.76Å; Y71-P82 HydrophobicContact CE2-CG 4.33Å; Y74-P82 HydrophobicContact CD1-CB 3.88Å; Y74-P82 HydrophobicContact CD1-CG 4.4Å; Y74-P82 HydrophobicContact CD2-CB 4.26Å; Y74-P82 HydrophobicContact CE1-CB 4.21Å; Y74-P82 HydrophobicContact CG-CB 3.91Å; P82-W84 HydrophobicContact CB-CD2 4.18Å; P82-W84 HydrophobicContact CB-CG 4.36Å; P82-W84 HydrophobicContact CB-CZ2 4.03Å; P82-W84 HydrophobicContact CG-CD2 3.89Å; P82-W84 HydrophobicContact CG-CE3 4.35Å; P82-W84 HydrophobicContact CG-CH2 3.78Å; P82-W84 HydrophobicContact CG-CZ2 3.25Å; P82-W84 HydrophobicContact CG-CZ3 4.29Å; P82-W84 PolarHBondContact O-N 3.38Å; P82-W84 VanDerWaalsContact O-N 3.17Å; P82-A85 HydrophobicContact CG-CB 4.06Å; P82-A85 WeakPolarHBondContact O-CB 3.46Å; P82-A85 PolarHBondContact O-N 3.33Å
83Y91Very high89.1Confident145 Ų14587.4 Ų87.457%0.56943%0.432SS*.Hα-helixtrans-55.9-35.6-175.474.1-84.6000113.5A85 T86 R87Y83-A85 PolarHBondContact O-N 2.81Å; Y83-T86 PolarHBondContact O-N 2.96Å; Y83-T86 PolarHBondContact O-OG1 3.44Å; Y83-T86 VanDerWaalsContact O-OG1 3.06Å; Y83-R87 PolarHBondContact O-N 2.88Å
84W91.9Very high88.2Confident9 Ų988.1 Ų88.13%0.03444%0.443CS..Hα-helixtrans-67.7-24.8179.353.5-108.9000112.2E15 I67 E70 Y71 P82 T86E15-W84 HydrophobicContact CB-CD2 4.44Å; E15-W84 HydrophobicContact CB-CE3 3.8Å; E15-W84 HydrophobicContact CB-CZ3 4.2Å; E15-W84 HydrophobicContact CG-CB 4.37Å; E15-W84 HydrophobicContact CG-CD2 3.92Å; E15-W84 HydrophobicContact CG-CE3 3.79Å; E15-W84 HydrophobicContact CG-CG 4.18Å; E15-W84 HydrophobicContact CG-CZ3 4.38Å; I67-W84 HydrophobicContact CG2-CH2 3.33Å; I67-W84 HydrophobicContact CG2-CZ2 3.85Å; I67-W84 HydrophobicContact CG2-CZ3 3.81Å; E70-W84 PolarHBondContact OE1-NE1 3.35Å; Y71-W84 AromaticContact CD2-CH2 3.58Å; Y71-W84 HydrophobicContact CD2-CH2 3.58Å; Y71-W84 HydrophobicContact CD2-CZ2 4.23Å; Y71-W84 HydrophobicContact CD2-CZ3 4.21Å; Y71-W84 HydrophobicContact CG-CH2 4.19Å; P82-W84 HydrophobicContact CB-CD2 4.18Å; P82-W84 HydrophobicContact CB-CG 4.36Å; P82-W84 HydrophobicContact CB-CZ2 4.03Å; P82-W84 HydrophobicContact CG-CD2 3.89Å; P82-W84 HydrophobicContact CG-CE3 4.35Å; P82-W84 HydrophobicContact CG-CH2 3.78Å; P82-W84 HydrophobicContact CG-CZ2 3.25Å; P82-W84 HydrophobicContact CG-CZ3 4.29Å; P82-W84 PolarHBondContact O-N 3.38Å; P82-W84 VanDerWaalsContact O-N 3.17Å; W84-T86 VanDerWaalsContact C-N 3.33Å
85A92.1Very high86.5Confident3 Ų394.4 Ų94.43%0.02548%0.475CS..Hα-helixtrans-77.8-21.5176.900000112.2E11 Y71 K81 P82 Y83E11-A85 HydrophobicContact CB-CB 4.12Å; E11-A85 VanDerWaalsContact CG-O 3.28Å; E11-A85 WeakPolarHBondContact CG-O 3.32Å; Y71-A85 HydrophobicContact CD2-CB 4.38Å; Y71-A85 HydrophobicContact CE2-CB 4.02Å; K81-A85 HydrophobicContact CB-CB 4.31Å; K81-A85 HydrophobicContact CD-CB 4.47Å; P82-A85 HydrophobicContact CG-CB 4.06Å; P82-A85 WeakPolarHBondContact O-CB 3.46Å; P82-A85 PolarHBondContact O-N 3.33Å; Y83-A85 PolarHBondContact O-N 2.81Å
86T89.1Confident86.1Confident36 Ų3691.4 Ų91.422%0.22147%0.47CS..Hα-helixtrans-103.4-11.6-179.851.30000113.1K81 Y83 W84 S88 S89 Y90K81-T86 HydrophobicContact CB-CG2 4.09Å; K81-T86 HydrophobicContact CD-CG2 4.41Å; Y83-T86 PolarHBondContact O-N 2.96Å; Y83-T86 PolarHBondContact O-OG1 3.44Å; Y83-T86 VanDerWaalsContact O-OG1 3.06Å; W84-T86 VanDerWaalsContact C-N 3.33Å; T86-S88 PolarHBondContact O-N 3.22Å; T86-S89 WeakPolarHBondContact O-CB 3.48Å; T86-S89 PolarHBondContact O-N 2.98Å; T86-Y90 WeakPolarHBondContact O-CD2 3.46Å; T86-Y90 PolarHBondContact O-N 3.28Å; T86-Y90 WeakPolarHBondContact OG1-CE2 3.19Å
87R86.2Confident85.6Confident73 Ų7387.4 Ų87.428%0.27546%0.456SS..Hα-helixtrans-47.5-51.9-179.4-175.7-170.5-69.8134-4.5113.5E15 Y83 S89 Y90 E91E15-R87 IonicContact OE2-NH1 2.82Å; E15-R87 PolarHBondContact OE2-NH1 2.96Å; Y83-R87 PolarHBondContact O-N 2.88Å; R87-S89 PolarHBondContact O-N 2.66Å; R87-Y90 PolarHBondContact O-N 2.62Å; R87-E91 VanDerWaalsContact CD-OE1 3.29Å; R87-E91 WeakPolarHBondContact CD-OE1 3.21Å; R87-E91 HydrophobicContact CG-CG 4.31Å; R87-E91 VanDerWaalsContact CG-OE1 3.26Å; R87-E91 WeakPolarHBondContact CG-OE1 3.41Å; R87-E91 PolarHBondContact O-N 3.32Å
88S79.8Confident85.1Confident22 Ų2284.1 Ų84.115%0.15444%0.439CS..Hα-helixtrans-59-31.6-178-167.10000112.5T86 K92T86-S88 PolarHBondContact O-N 3.22Å; S88-K92 VanDerWaalsContact O-CG 3.25Å; S88-K92 WeakPolarHBondContact O-CG 3.24Å; S88-K92 PolarHBondContact O-N 3.47Å
89S81.6Confident84.6Confident81 Ų8185.5 Ų85.557%0.56644%0.443SS*.Hα-helixtrans-72.4-40.4176.3-56.40000111.9T86 R87 S93T86-S89 WeakPolarHBondContact O-CB 3.48Å; T86-S89 PolarHBondContact O-N 2.98Å; R87-S89 PolarHBondContact O-N 2.66Å; S89-S93 PolarHBondContact O-N 3.22Å; S89-S93 VanDerWaalsContact O-N 3.17Å; S89-S93 PolarHBondContact O-OG 3.09Å
90Y81.6Confident84Confident150 Ų15086.8 Ų86.859%0.58843%0.429SS*.Hα-helixtrans-69.5-39.9178.1-69.4-69.5000113.1T86 R87 K92 S93 S94T86-Y90 WeakPolarHBondContact O-CD2 3.46Å; T86-Y90 PolarHBondContact O-N 3.28Å; T86-Y90 WeakPolarHBondContact OG1-CE2 3.19Å; R87-Y90 PolarHBondContact O-N 2.62Å; Y90-K92 VanDerWaalsContact C-N 3.31Å; Y90-K92 PolarHBondContact O-N 2.89Å; Y90-S93 WeakPolarHBondContact CA-OG 3.47Å; Y90-S93 PolarHBondContact O-N 2.96Å; Y90-S93 PolarHBondContact O-OG 2.8Å; Y90-S94 PolarHBondContact O-N 2.91Å; Y90-S94 PolarHBondContact O-OG 3.48Å
91E82.5Confident83.5Confident106 Ų10683.7 Ų83.750%0.49541%0.413SS..Hα-helixtrans-63.8-39.8177.3-72.4172.5178.700111R87 S94 H95R87-E91 VanDerWaalsContact CD-OE1 3.29Å; R87-E91 WeakPolarHBondContact CD-OE1 3.21Å; R87-E91 HydrophobicContact CG-CG 4.31Å; R87-E91 VanDerWaalsContact CG-OE1 3.26Å; R87-E91 WeakPolarHBondContact CG-OE1 3.41Å; R87-E91 PolarHBondContact O-N 3.32Å; E91-S94 PolarHBondContact O-N 3.27Å; E91-H95 PolarHBondContact O-CD2 2.99Å
92K77.5Confident82.9Confident140 Ų14083.3 Ų83.361%0.60942%0.415SS*.Hα-helixtrans-68.8-33.2176.1-74.4177.8179-163.70114.1S88 Y90 S94S88-K92 VanDerWaalsContact O-CG 3.25Å; S88-K92 WeakPolarHBondContact O-CG 3.24Å; S88-K92 PolarHBondContact O-N 3.47Å; Y90-K92 VanDerWaalsContact C-N 3.31Å; Y90-K92 PolarHBondContact O-N 2.89Å; K92-S94 VanDerWaalsContact C-N 3.3Å
93S78.6Confident82.2Confident85 Ų8589.6 Ų89.659%0.59445%0.447SS*.Hα-helixtrans-79.9-13.3179.361.40000113.6S89 Y90 H95S89-S93 PolarHBondContact O-N 3.22Å; S89-S93 VanDerWaalsContact O-N 3.17Å; S89-S93 PolarHBondContact O-OG 3.09Å; Y90-S93 WeakPolarHBondContact CA-OG 3.47Å; Y90-S93 PolarHBondContact O-N 2.96Å; Y90-S93 PolarHBondContact O-OG 2.8Å; S93-H95 VanDerWaalsContact C-N 3.28Å
94S75.6Confident81.4Confident93 Ų9385 Ų8565%0.6544%0.437SS*.THydrogen-bonded Turntrans-861.5-177.5-59.40000113.5Y90 E91 K92Y90-S94 PolarHBondContact O-N 2.91Å; Y90-S94 PolarHBondContact O-OG 3.48Å; E91-S94 PolarHBondContact O-N 3.27Å; K92-S94 VanDerWaalsContact C-N 3.3Å
95H60.7Low80.5Confident222 Ų22291.9 Ų91.9100%1.02847%0.473SS*.  trans-122.60177.9-68-59.6000110.2E91 S93E91-H95 PolarHBondContact O-CD2 2.99Å; S93-H95 VanDerWaalsContact C-N 3.28Å

Retrieved 95 of 95 residues in 227 ms (Link to these results)

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