A0A077ZBD3_TRITR Loading...

Zf-RING 5 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBD3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 196 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
1M50.5Low87.9Confident219 Ų21995.5 Ų95.5100%1.07944%0.437SS*.  0104.60-161.4176.8-8300104.6F3M1-F3 PolarHBondContact O-N 3.49Å
2E69.4Low88.6Confident170 Ų17088.6 Ų88.679%0.79441%0.407SS*.  trans-70.2127.1-179.3-72.9175.6171.900108.2E4E2-E4 PolarHBondContact O-N 3.37Å
3F84.6Confident89.1Confident136 Ų13689.2 Ų89.260%0.59640%0.403SS*.  trans-80.9112.5178.7-68.3-70.6000108.1M1 W92 I96M1-F3 PolarHBondContact O-N 3.49Å; F3-W92 HydrophobicContact CB-CZ2 4.25Å; F3-W92 WeakPolarHBondContact O-CH2 3.41Å; F3-W92 VanDerWaalsContact O-CZ2 3.32Å; F3-W92 WeakPolarHBondContact O-CZ2 3.42Å; F3-I96 HydrophobicContact CB-CD1 3.73Å; F3-I96 HydrophobicContact CB-CG1 4.14Å; F3-I96 HydrophobicContact CB-CG2 4.49Å; F3-I96 HydrophobicContact CD1-CD1 4.45Å; F3-I96 HydrophobicContact CD1-CG2 3.44Å; F3-I96 VanDerWaalsContact CD1-CG2 3.44Å; F3-I96 HydrophobicContact CE1-CG2 3.81Å; F3-I96 HydrophobicContact CG-CD1 4.47Å; F3-I96 HydrophobicContact CG-CG2 4.07Å
4E91.7Very high89.6Confident58 Ų5893.3 Ų93.327%0.27141%0.414SS..  trans-113.8148.8-179.4-64.9170.8178.900109.7E2 R15E2-E4 PolarHBondContact O-N 3.37Å; E4-R15 VanDerWaalsContact CD-CZ 3.49Å; E4-R15 VanDerWaalsContact CD-NH1 3.31Å; E4-R15 IonicContact OE1-CZ 2.66Å; E4-R15 IonicContact OE1-NH1 3.48Å; E4-R15 PolarHBondContact OE1-NH1 3.26Å; E4-R15 IonicContact OE1-NH2 3.23Å; E4-R15 WeakPolarHBondContact OE2-CD 3.45Å; E4-R15 WeakPolarHBondContact OE2-CG 3.32Å; E4-R15 IonicContact OE2-CZ 2.77Å; E4-R15 IonicContact OE2-NE 3.07Å; E4-R15 PolarHBondContact OE2-NE 2.91Å; E4-R15 IonicContact OE2-NH1 2.75Å; E4-R15 PolarHBondContact OE2-NH1 3.27Å; E4-R15 IonicContact OE2-NH2 3.64Å; E4-R15 PolarHBondContact OE2-NH2 3.34Å
5L96.3Very high90Very high13 Ų1396.5 Ų96.57%0.06842%0.422CS..  trans-77.8135.5172-62.3178.6000109.5I16 I28 M62 W92 Q95 I96L5-I16 HydrophobicContact CB-CB 3.97Å; L5-I16 HydrophobicContact CB-CG1 3.92Å; L5-I16 WeakPolarHBondContact O-CB 3.24Å; L5-I16 WeakPolarHBondContact O-CG1 3.47Å; L5-I16 PolarHBondContact O-N 3.48Å; L5-I28 HydrophobicContact CB-CD1 4.48Å; L5-I28 HydrophobicContact CD1-CD1 3.71Å; L5-M62 HydrophobicContact CD1-CE 3.95Å; L5-W92 HydrophobicContact CD1-CE3 3.92Å; L5-W92 HydrophobicContact CD1-CZ3 3.73Å; L5-W92 HydrophobicContact CD2-CD2 4.38Å; L5-W92 HydrophobicContact CD2-CE3 3.83Å; L5-W92 HydrophobicContact CD2-CZ3 3.92Å; L5-W92 HydrophobicContact CG-CE3 3.91Å; L5-W92 HydrophobicContact CG-CH2 4.19Å; L5-W92 HydrophobicContact CG-CZ3 3.54Å; L5-Q95 HydrophobicContact CD2-CB 3.49Å; L5-Q95 VanDerWaalsContact CD2-CB 3.49Å; L5-Q95 HydrophobicContact CD2-CG 4.02Å; L5-I96 HydrophobicContact CD2-CD1 4.4Å
6I96.9Very high90.4Very high19 Ų1991.7 Ų91.710%0.09740%0.402CS..BIsolated β-bridgetrans-117.2141.4180-56-60.3000109N8 R13 R15I6-N8 PolarHBondContact O-N 3.32Å; I6-N8 PolarHBondContact O-ND2 3.13Å; I6-R13 HydrophobicContact CG2-CB 4.48Å; I6-R15 HydrophobicContact CD1-CB 4.48Å; I6-R15 HydrophobicContact CD1-CG 3.87Å
7C97.9Very high90.5Very high4 Ų493.9 Ų93.93%0.02741%0.414CS..  trans-53.5129.5175.4-173.40000111.5F9 C12 R14 I16 C30 D33C7-F9 VanDerWaalsContact C-N 3.29Å; C7-F9 PolarHBondContact O-N 3.03Å; C7-F9 PolarHBondContact SG-N 3.49Å; C7-C12 HydrophobicContact CB-CB 4.03Å; C7-R14 PolarHBondContact N-O 2.95Å; C7-I16 HydrophobicContact CB-CD1 4.25Å; C7-C30 HydrophobicContact CB-CB 4.19Å; C7-C30 PolarHBondContact SG-N 2.92Å; C7-D33 PolarHBondContact SG-OD2 3.39Å
8N97.5Very high90.7Very high37 Ų3794.4 Ų94.420%0.19842%0.421CS..  trans-864.6178.6-60161.1000113.2I6 R10 H27 I28 F29 A46 Q95I6-N8 PolarHBondContact O-N 3.32Å; I6-N8 PolarHBondContact O-ND2 3.13Å; N8-R10 PolarHBondContact O-N 2.74Å; N8-H27 HydrophobicContact CB-CB 4.29Å; N8-H27 WeakPolarHBondContact OD1-CA 3.41Å; N8-H27 WeakPolarHBondContact OD1-CB 3.5Å; N8-I28 VanDerWaalsContact CB-O 3.28Å; N8-I28 WeakPolarHBondContact CB-O 3.37Å; N8-I28 VanDerWaalsContact CG-O 3.31Å; N8-I28 PolarHBondContact N-O 2.85Å; N8-I28 PolarHBondContact OD1-N 3.43Å; N8-I28 PolarHBondContact OD1-O 3.29Å; N8-F29 HydrophobicContact CB-CD1 4.44Å; N8-F29 HydrophobicContact CB-CE1 4.01Å; N8-F29 HydrophobicContact CB-CZ 4.42Å; N8-A46 HydrophobicContact CB-CB 4.35Å; N8-Q95 PolarHBondContact ND2-OE1 2.92Å; N8-Q95 PolarHBondContact OD1-NE2 3.21Å; N8-Q95 PolarHBondContact OD1-OE1 3.08Å
9F97.1Very high91.1Very high50 Ų5092.6 Ų92.622%0.21941%0.414CS..SBendtrans-67.7128.9172.1-171.9-108.8000109.2C7 H11 C12 F29 D33 E37 P45C7-F9 VanDerWaalsContact C-N 3.29Å; C7-F9 PolarHBondContact O-N 3.03Å; C7-F9 PolarHBondContact SG-N 3.49Å; F9-H11 HydrophobicContact CE1-CB 4.49Å; F9-H11 PolarHBondContact O-N 2.91Å; F9-C12 HydrophobicContact CB-CB 3.86Å; F9-C12 HydrophobicContact CD1-CB 4.06Å; F9-C12 HydrophobicContact CG-CB 4.47Å; F9-C12 WeakPolarHBondContact O-CA 3.36Å; F9-C12 PolarHBondContact O-N 3.18Å; F9-F29 HydrophobicContact CB-CD1 4Å; F9-F29 HydrophobicContact CB-CE1 4.36Å; F9-D33 HydrophobicContact CB-CB 4.24Å; F9-D33 HydrophobicContact CG-CB 4.38Å; F9-E37 HydrophobicContact CD2-CG 4.29Å; F9-E37 HydrophobicContact CE2-CG 3.86Å; F9-P45 HydrophobicContact CD2-CB 3.74Å; F9-P45 HydrophobicContact CE2-CB 4.09Å
10R92.5Very high91.4Very high170 Ų17088 Ų8864%0.64239%0.393SS*.THydrogen-bonded Turntrans-53.4-30.8-165.2-67.3-174.7-178.8173.36.5115.6N8 A46 D48N8-R10 PolarHBondContact O-N 2.74Å; R10-A46 PolarHBondContact NH2-O 3.4Å; R10-D48 IonicContact NH2-OD2 3.3Å
11H92.7Very high91.7Very high175 Ų17586.1 Ų86.181%0.8138%0.383SS*.THydrogen-bonded Turntrans-107.25.6-179.6-58.5-57.5000113.2F9F9-H11 HydrophobicContact CE1-CB 4.49Å; F9-H11 PolarHBondContact O-N 2.91Å
12C96.5Very high94Very high12 Ų1277 Ų778%0.08134%0.34CS..  trans-107.4143.5175-167.30000110.2C7 F9 R14 D33C7-C12 HydrophobicContact CB-CB 4.03Å; F9-C12 HydrophobicContact CB-CB 3.86Å; F9-C12 HydrophobicContact CD1-CB 4.06Å; F9-C12 HydrophobicContact CG-CB 4.47Å; F9-C12 WeakPolarHBondContact O-CA 3.36Å; F9-C12 PolarHBondContact O-N 3.18Å; C12-R14 PolarHBondContact SG-N 2.95Å; C12-D33 WeakPolarHBondContact CB-OD2 3.48Å; C12-D33 PolarHBondContact SG-OD2 2.87Å
13R94.6Very high95.4Very high96 Ų9669.2 Ų69.236%0.36230%0.304SS..  trans-13718.5176.5-67.3-67.4-57.2161.68.3110.7I6 E99 Q103I6-R13 HydrophobicContact CG2-CB 4.48Å; R13-E99 IonicContact CZ-OE1 3.21Å; R13-E99 IonicContact CZ-OE2 2.62Å; R13-E99 VanDerWaalsContact CZ-OE2 3.23Å; R13-E99 IonicContact NH1-OE1 3.94Å; R13-E99 IonicContact NH1-OE2 3.72Å; R13-E99 PolarHBondContact NH1-OE2 2.98Å; R13-E99 IonicContact NH2-OE1 2.86Å; R13-E99 PolarHBondContact NH2-OE1 3.35Å; R13-E99 IonicContact NH2-OE2 3.1Å; R13-E99 PolarHBondContact NH2-OE2 2.82Å; R13-Q103 VanDerWaalsContact NH2-NE2 3.18Å
14R96Very high95.9Very high147 Ų14765.9 Ų65.956%0.55530%0.298SS*.  trans-67.3142.8179.5-68.1-177.4-166.4173.27.3109.6C7 C12C7-R14 PolarHBondContact N-O 2.95Å; C12-R14 PolarHBondContact SG-N 2.95Å
15R96Very high96.2Very high142 Ų14264.9 Ų64.954%0.53630%0.297SS..BIsolated β-bridgetrans-66144.1170.4-63170.5175.6-141.4-16.4109.1E4 I6 E17E4-R15 VanDerWaalsContact CD-CZ 3.49Å; E4-R15 VanDerWaalsContact CD-NH1 3.31Å; E4-R15 IonicContact OE1-CZ 2.66Å; E4-R15 IonicContact OE1-NH1 3.48Å; E4-R15 PolarHBondContact OE1-NH1 3.26Å; E4-R15 IonicContact OE1-NH2 3.23Å; E4-R15 WeakPolarHBondContact OE2-CD 3.45Å; E4-R15 WeakPolarHBondContact OE2-CG 3.32Å; E4-R15 IonicContact OE2-CZ 2.77Å; E4-R15 IonicContact OE2-NE 3.07Å; E4-R15 PolarHBondContact OE2-NE 2.91Å; E4-R15 IonicContact OE2-NH1 2.75Å; E4-R15 PolarHBondContact OE2-NH1 3.27Å; E4-R15 IonicContact OE2-NH2 3.64Å; E4-R15 PolarHBondContact OE2-NH2 3.34Å; I6-R15 HydrophobicContact CD1-CB 4.48Å; I6-R15 HydrophobicContact CD1-CG 3.87Å; R15-E17 HydrophobicContact CB-CG 4.38Å
16I96.7Very high96.2Very high19 Ų1966.4 Ų66.410%0.09731%0.308CS..  trans-86.1115.3175.2-59-61.2000107.9L5 C7 A20 I28 C30 M62L5-I16 HydrophobicContact CB-CB 3.97Å; L5-I16 HydrophobicContact CB-CG1 3.92Å; L5-I16 WeakPolarHBondContact O-CB 3.24Å; L5-I16 WeakPolarHBondContact O-CG1 3.47Å; L5-I16 PolarHBondContact O-N 3.48Å; C7-I16 HydrophobicContact CB-CD1 4.25Å; I16-A20 HydrophobicContact CG2-CB 3.49Å; I16-A20 VanDerWaalsContact CG2-CB 3.49Å; I16-I28 HydrophobicContact CD1-CG1 4.32Å; I16-I28 HydrophobicContact CG1-CD1 4.21Å; I16-I28 HydrophobicContact CG1-CG1 4.3Å; I16-I28 HydrophobicContact CG1-CG2 4.47Å; I16-I28 HydrophobicContact CG2-CD1 4.05Å; I16-C30 HydrophobicContact CD1-CB 3.96Å; I16-C30 VanDerWaalsContact CD1-N 3.34Å; I16-M62 HydrophobicContact CG2-CE 3.81Å; I16-M62 HydrophobicContact CG2-CG 3.69Å; I16-M62 HydrophobicContact CG2-SD 3.63Å
17E91.9Very high96.2Very high130 Ų13066.7 Ų66.761%0.60731%0.309SS*.  trans-115.1-81.2-170.2-68.3176.4-177.200112.4R15 M62 N63R15-E17 HydrophobicContact CB-CG 4.38Å; E17-M62 WeakPolarHBondContact O-CB 3.36Å; E17-M62 WeakPolarHBondContact O-CG 3.39Å; E17-N63 PolarHBondContact O-ND2 3.44Å
18D94.5Very high96.3Very high102 Ų10266.5 Ų66.555%0.54531%0.308SS..SBendtrans-87.1-50.9-173.6-66.4-41.7000113.2N61 M62D18-N61 PolarHBondContact O-OD1 2.86Å; D18-M62 WeakPolarHBondContact O-CB 3.43Å; D18-M62 PolarHBondContact O-N 2.99Å
19H97.3Very high96.3Very high60 Ų6064.8 Ų64.828%0.27830%0.299SS..EExtended strand (participates in β ladder)trans-134.9149.2-176.5-67.991.6000110.4D31 R59 I60H19-D31 HydrophobicContact CB-CB 3.97Å; H19-D31 PolarHBondContact O-N 2.92Å; H19-R59 PolarHBondContact CD2-NH1 3.06Å; H19-R59 PolarHBondContact CD2-NH2 3.09Å; H19-R59 VanDerWaalsContact CD2-NH2 3.28Å; H19-R59 PolarHBondContact ND1-NH2 2.91Å; H19-R59 PolarHBondContact NE2-NH1 3.49Å; H19-I60 VanDerWaalsContact CA-O 3.29Å; H19-I60 WeakPolarHBondContact CA-O 3.36Å
20A98Very high96.3Very high0 Ų062.9 Ų62.90%029%0.292CS..EExtended strand (participates in β ladder)trans-142.1156.9-179.800000110.8I16 I28 F29 R59 I60 M62I16-A20 HydrophobicContact CG2-CB 3.49Å; I16-A20 VanDerWaalsContact CG2-CB 3.49Å; A20-I28 HydrophobicContact CB-CD1 3.74Å; A20-I28 HydrophobicContact CB-CG1 3.74Å; A20-F29 CarbonylContact C-O 3.52Å; A20-F29 VanDerWaalsContact CA-O 3.26Å; A20-F29 WeakPolarHBondContact CA-O 3.44Å; A20-R59 CarbonylContact O-C 3.52Å; A20-R59 WeakPolarHBondContact O-CA 3.48Å; A20-I60 HydrophobicContact CB-CD1 4.34Å; A20-I60 HydrophobicContact CB-CG1 3.93Å; A20-I60 PolarHBondContact N-O 3.35Å; A20-I60 PolarHBondContact O-N 3.14Å; A20-M62 HydrophobicContact CB-CG 4.24Å; A20-M62 HydrophobicContact CB-SD 3.83Å
21W98.1Very high96.6Very high49 Ų4956.9 Ų56.919%0.18627%0.272CS..EExtended strand (participates in β ladder)trans-107.8122.4169.5-66.173.6000109.2I28 F29 D31 Q35 F38 I57 F58 R59W21-I28 CarbonylContact O-C 3.52Å; W21-I28 VanDerWaalsContact O-CA 3.3Å; W21-I28 WeakPolarHBondContact O-CA 3.42Å; W21-F29 HydrophobicContact CB-CB 4.36Å; W21-F29 PolarHBondContact N-O 3.41Å; W21-F29 PolarHBondContact O-N 3.4Å; W21-D31 PolarHBondContact NE1-O 3.5Å; W21-D31 PolarHBondContact NE1-OD1 3.34Å; W21-Q35 HydrophobicContact CZ2-CB 4.26Å; W21-F38 HydrophobicContact CB-CD2 4.03Å; W21-F38 HydrophobicContact CB-CE2 3.62Å; W21-F38 AromaticContact CD2-CD2 3.86Å; W21-F38 HydrophobicContact CD2-CD2 3.86Å; W21-F38 HydrophobicContact CD2-CE2 4.37Å; W21-F38 AromaticContact CE3-CD2 3.53Å; W21-F38 HydrophobicContact CE3-CD2 3.53Å; W21-F38 HydrophobicContact CE3-CE2 4.19Å; W21-F38 HydrophobicContact CE3-CG 4.34Å; W21-F38 HydrophobicContact CG-CD2 4.09Å; W21-F38 HydrophobicContact CG-CE2 4.18Å; W21-F38 HydrophobicContact CZ3-CB 4.39Å; W21-F38 HydrophobicContact CZ3-CD2 4.23Å; W21-I57 HydrophobicContact CE3-CG2 3.54Å; W21-I57 HydrophobicContact CZ3-CG2 3.87Å; W21-F58 CarbonylContact C-O 3.56Å; W21-F58 VanDerWaalsContact CA-O 3.31Å; W21-F58 WeakPolarHBondContact CA-O 3.31Å; W21-R59 HydrophobicContact CD2-CB 4.03Å; W21-R59 HydrophobicContact CD2-CG 4.29Å; W21-R59 HydrophobicContact CE3-CB 4.16Å; W21-R59 HydrophobicContact CH2-CB 4.26Å; W21-R59 HydrophobicContact CZ2-CB 4.11Å; W21-R59 HydrophobicContact CZ2-CG 4.18Å; W21-R59 HydrophobicContact CZ3-CB 4.28Å
22V97.9Very high96.8Very high28 Ų2853.4 Ų53.417%0.1726%0.256CS..EExtended strand (participates in β ladder)trans-111.1142.6179.8179.20000109.4H27 I28 I57 F58 I60 F91V22-H27 WeakPolarHBondContact CA-O 3.42Å; V22-I28 HydrophobicContact CG2-CB 4.45Å; V22-I28 HydrophobicContact CG2-CD1 4.02Å; V22-I28 HydrophobicContact CG2-CG1 3.93Å; V22-I57 WeakPolarHBondContact O-CA 3.43Å; V22-F58 PolarHBondContact N-O 3.23Å; V22-F58 PolarHBondContact O-N 3.19Å; V22-I60 HydrophobicContact CG2-CD1 3.55Å; V22-I60 HydrophobicContact CG2-CG1 4Å; V22-F91 HydrophobicContact CG1-CD2 4.48Å; V22-F91 HydrophobicContact CG1-CE2 3.58Å; V22-F91 HydrophobicContact CG1-CZ 3.65Å; V22-F91 HydrophobicContact CG2-CZ 4.14Å
23T98Very high96.8Very high6 Ų653.6 Ų53.64%0.03726%0.256CS..EExtended strand (participates in β ladder)trans-114.8154.1178.9600000111.8C25 S26 H27 F29 F38 L51 D56T23-C25 PolarHBondContact O-N 3.39Å; T23-C25 PolarHBondContact OG1-SG 2.94Å; T23-S26 PolarHBondContact O-N 3.38Å; T23-H27 PolarHBondContact N-O 3.09Å; T23-H27 WeakPolarHBondContact OG1-CB 3.41Å; T23-H27 PolarHBondContact OG1-N 3.36Å; T23-H27 VanDerWaalsContact OG1-N 3.12Å; T23-H27 PolarHBondContact OG1-O 3.18Å; T23-H27 VanDerWaalsContact OG1-O 3.09Å; T23-F29 HydrophobicContact CG2-CD2 4.44Å; T23-F29 HydrophobicContact CG2-CE2 3.84Å; T23-F38 HydrophobicContact CG2-CE1 4.13Å; T23-F38 HydrophobicContact CG2-CE2 4.48Å; T23-F38 HydrophobicContact CG2-CZ 3.57Å; T23-L51 HydrophobicContact CG2-CD1 3.57Å; T23-D56 CarbonylContact C-O 3.48Å; T23-D56 WeakPolarHBondContact CA-O 3.42Å
24S96.7Very high97Very high67 Ų6749 Ų4947%0.46924%0.239SC..THydrogen-bonded Turntrans-62.4-22.7175.7540000113.5S26 D56S24-S26 PolarHBondContact O-N 3.02Å; S24-D56 VanDerWaalsContact CB-OD1 3.29Å; S24-D56 WeakPolarHBondContact CB-OD1 3.44Å; S24-D56 PolarHBondContact N-O 3.4Å; S24-D56 VanDerWaalsContact OG-CG 3.32Å; S24-D56 PolarHBondContact OG-OD1 2.97Å
25C96.8Very high97Very high36 Ų3647.8 Ų47.824%0.24324%0.24CC..THydrogen-bonded Turntrans-81.320.1171.167.70000114.1T23 H27 C44 A49T23-C25 PolarHBondContact O-N 3.39Å; T23-C25 PolarHBondContact OG1-SG 2.94Å; C25-H27 VanDerWaalsContact C-N 3.35Å; C25-H27 PolarHBondContact O-CE1 2.74Å; C25-H27 PolarHBondContact O-N 2.97Å; C25-H27 PolarHBondContact O-ND1 3.46Å; C25-H27 PolarHBondContact SG-ND1 3.35Å; C25-C44 PolarHBondContact SG-SG 3.42Å; C25-A49 HydrophobicContact CB-CB 4.46Å
26S96.7Very high97Very high45 Ų4544.7 Ų44.732%0.31523%0.233SC..SBendtrans63.927.2174.5-58.30000115.9T23 S24 Y94 Q95T23-S26 PolarHBondContact O-N 3.38Å; S24-S26 PolarHBondContact O-N 3.02Å; S26-Y94 WeakPolarHBondContact O-CE1 3.31Å; S26-Q95 PolarHBondContact O-NE2 3.41Å
27H97.7Very high97Very high26 Ų2645.2 Ų45.212%0.1224%0.235CC..  trans-102.9146.3171.9-61.897.7000112.4N8 V22 T23 C25 F29 C44 A46 C47N8-H27 HydrophobicContact CB-CB 4.29Å; N8-H27 WeakPolarHBondContact OD1-CA 3.41Å; N8-H27 WeakPolarHBondContact OD1-CB 3.5Å; V22-H27 WeakPolarHBondContact CA-O 3.42Å; T23-H27 PolarHBondContact N-O 3.09Å; T23-H27 WeakPolarHBondContact OG1-CB 3.41Å; T23-H27 PolarHBondContact OG1-N 3.36Å; T23-H27 VanDerWaalsContact OG1-N 3.12Å; T23-H27 PolarHBondContact OG1-O 3.18Å; T23-H27 VanDerWaalsContact OG1-O 3.09Å; C25-H27 VanDerWaalsContact C-N 3.35Å; C25-H27 PolarHBondContact O-CE1 2.74Å; C25-H27 PolarHBondContact O-N 2.97Å; C25-H27 PolarHBondContact O-ND1 3.46Å; C25-H27 PolarHBondContact SG-ND1 3.35Å; H27-F29 HydrophobicContact CB-CE2 3.78Å; H27-F29 HydrophobicContact CB-CZ 3.73Å; H27-C44 PolarHBondContact ND1-SG 3.04Å; H27-A46 HydrophobicContact CB-CB 4.23Å; H27-A46 WeakPolarHBondContact CD2-CB 3.27Å; H27-C47 VanDerWaalsContact CE1-SG 3.58Å
28I98.3Very high97.3Very high0 Ų040 Ų400%021%0.211CC..EExtended strand (participates in β ladder)trans-120.6140.9176.3-165.4165000111.9L5 N8 I16 A20 W21 V22 F91 Q95L5-I28 HydrophobicContact CB-CD1 4.48Å; L5-I28 HydrophobicContact CD1-CD1 3.71Å; N8-I28 VanDerWaalsContact CB-O 3.28Å; N8-I28 WeakPolarHBondContact CB-O 3.37Å; N8-I28 VanDerWaalsContact CG-O 3.31Å; N8-I28 PolarHBondContact N-O 2.85Å; N8-I28 PolarHBondContact OD1-N 3.43Å; N8-I28 PolarHBondContact OD1-O 3.29Å; I16-I28 HydrophobicContact CD1-CG1 4.32Å; I16-I28 HydrophobicContact CG1-CD1 4.21Å; I16-I28 HydrophobicContact CG1-CG1 4.3Å; I16-I28 HydrophobicContact CG1-CG2 4.47Å; I16-I28 HydrophobicContact CG2-CD1 4.05Å; A20-I28 HydrophobicContact CB-CD1 3.74Å; A20-I28 HydrophobicContact CB-CG1 3.74Å; W21-I28 CarbonylContact O-C 3.52Å; W21-I28 VanDerWaalsContact O-CA 3.3Å; W21-I28 WeakPolarHBondContact O-CA 3.42Å; V22-I28 HydrophobicContact CG2-CB 4.45Å; V22-I28 HydrophobicContact CG2-CD1 4.02Å; V22-I28 HydrophobicContact CG2-CG1 3.93Å; I28-F91 HydrophobicContact CB-CZ 4.05Å; I28-F91 HydrophobicContact CD1-CE1 4.48Å; I28-Q95 HydrophobicContact CG2-CG 4.43Å
29F98.3Very high97.3Very high0 Ų039.5 Ų39.50%022%0.215CC..EExtended strand (participates in β ladder)trans-129.9148179.9-53.4-82.5000110.6N8 F9 A20 W21 T23 H27 F38 P45 A46N8-F29 HydrophobicContact CB-CD1 4.44Å; N8-F29 HydrophobicContact CB-CE1 4.01Å; N8-F29 HydrophobicContact CB-CZ 4.42Å; F9-F29 HydrophobicContact CB-CD1 4Å; F9-F29 HydrophobicContact CB-CE1 4.36Å; A20-F29 CarbonylContact C-O 3.52Å; A20-F29 VanDerWaalsContact CA-O 3.26Å; A20-F29 WeakPolarHBondContact CA-O 3.44Å; W21-F29 HydrophobicContact CB-CB 4.36Å; W21-F29 PolarHBondContact N-O 3.41Å; W21-F29 PolarHBondContact O-N 3.4Å; T23-F29 HydrophobicContact CG2-CD2 4.44Å; T23-F29 HydrophobicContact CG2-CE2 3.84Å; H27-F29 HydrophobicContact CB-CE2 3.78Å; H27-F29 HydrophobicContact CB-CZ 3.73Å; F29-F38 AromaticContact CD2-CE2 3.9Å; F29-F38 HydrophobicContact CD2-CE2 3.9Å; F29-F38 AromaticContact CD2-CZ 3.83Å; F29-F38 HydrophobicContact CD2-CZ 3.83Å; F29-F38 HydrophobicContact CE2-CE2 4.41Å; F29-F38 AromaticContact CE2-CZ 3.87Å; F29-F38 HydrophobicContact CE2-CZ 3.87Å; F29-P45 HydrophobicContact CE1-CB 3.84Å; F29-P45 HydrophobicContact CE1-CG 4.13Å; F29-P45 HydrophobicContact CE2-CG 4.45Å; F29-P45 HydrophobicContact CZ-CB 4.07Å; F29-P45 HydrophobicContact CZ-CG 4.08Å; F29-A46 HydrophobicContact CE1-CB 4.17Å; F29-A46 HydrophobicContact CZ-CB 3.91Å
30C98Very high97.2Very high11 Ų1142.9 Ų42.97%0.07423%0.229CC..EExtended strand (participates in β ladder)trans-63.8157.3171.5800000110.1C7 I16 H32 D33 G34C7-C30 HydrophobicContact CB-CB 4.19Å; C7-C30 PolarHBondContact SG-N 2.92Å; I16-C30 HydrophobicContact CD1-CB 3.96Å; I16-C30 VanDerWaalsContact CD1-N 3.34Å; C30-H32 PolarHBondContact O-N 3.13Å; C30-D33 PolarHBondContact O-N 2.98Å; C30-D33 VanDerWaalsContact SG-CG 3.53Å; C30-D33 PolarHBondContact SG-OD2 3.21Å; C30-G34 PolarHBondContact O-N 3.49Å
31D97.7Very high97Very high43 Ų4346.8 Ų46.823%0.2325%0.246CC..Hα-helixtrans-55.5-40.2-175.3-159.330.7000113H19 W21 Q35 R59H19-D31 HydrophobicContact CB-CB 3.97Å; H19-D31 PolarHBondContact O-N 2.92Å; W21-D31 PolarHBondContact NE1-O 3.5Å; W21-D31 PolarHBondContact NE1-OD1 3.34Å; D31-Q35 WeakPolarHBondContact O-CB 3.31Å; D31-Q35 PolarHBondContact O-N 3.29Å; D31-R59 IonicContact OD1-CZ 3.39Å; D31-R59 IonicContact OD1-NE 2.71Å; D31-R59 PolarHBondContact OD1-NE 2.91Å; D31-R59 IonicContact OD1-NH2 3.62Å; D31-R59 PolarHBondContact OD1-NH2 2.92Å; D31-R59 IonicContact OD2-CZ 2.75Å; D31-R59 IonicContact OD2-NE 2.9Å; D31-R59 IonicContact OD2-NH2 2.71Å; D31-R59 PolarHBondContact OD2-NH2 3.21Å
32H97.1Very high96.8Very high102 Ų10249.9 Ų49.947%0.47227%0.266SS..Hα-helixtrans-61.2-54.3178.2178.571000113C30 L36C30-H32 PolarHBondContact O-N 3.13Å; H32-L36 WeakPolarHBondContact O-CB 3.45Å; H32-L36 PolarHBondContact O-N 3.45Å
33D97.6Very high96.8Very high16 Ų1649.3 Ų49.39%0.08626%0.264CS..Hα-helixtrans-69-41.1-176.9-63.6-35000110.9C7 F9 C12 C30 L36 E37C7-D33 PolarHBondContact SG-OD2 3.39Å; F9-D33 HydrophobicContact CB-CB 4.24Å; F9-D33 HydrophobicContact CG-CB 4.38Å; C12-D33 WeakPolarHBondContact CB-OD2 3.48Å; C12-D33 PolarHBondContact SG-OD2 2.87Å; C30-D33 PolarHBondContact O-N 2.98Å; C30-D33 VanDerWaalsContact SG-CG 3.53Å; C30-D33 PolarHBondContact SG-OD2 3.21Å; D33-L36 PolarHBondContact O-N 3.46Å; D33-E37 WeakPolarHBondContact O-CB 3.48Å; D33-E37 WeakPolarHBondContact O-CG 3.47Å; D33-E37 PolarHBondContact O-N 3.15Å
34G97.2Very high96.8Very high0 Ų049 Ų490%026%0.262CS..Hα-helixtrans-62.6-48.7178.300000111.8C30 L36 E37 F38C30-G34 PolarHBondContact O-N 3.49Å; G34-L36 VanDerWaalsContact C-N 3.32Å; G34-L36 PolarHBondContact O-N 2.97Å; G34-E37 PolarHBondContact O-N 3.37Å; G34-F38 VanDerWaalsContact O-CB 3.32Å; G34-F38 WeakPolarHBondContact O-CB 3.47Å; G34-F38 WeakPolarHBondContact O-CD2 3.47Å; G34-F38 WeakPolarHBondContact O-CG 3.38Å; G34-F38 PolarHBondContact O-N 3.09Å
35Q96.5Very high96.8Very high122 Ų12246.4 Ų46.457%0.5724%0.244SC*.Hα-helixtrans-59.4-43.9176.9-175175.92900111.7W21 D31 S39W21-Q35 HydrophobicContact CZ2-CB 4.26Å; D31-Q35 WeakPolarHBondContact O-CB 3.31Å; D31-Q35 PolarHBondContact O-N 3.29Å; Q35-S39 VanDerWaalsContact O-CB 3.3Å; Q35-S39 WeakPolarHBondContact O-CB 3.49Å; Q35-S39 PolarHBondContact O-N 3.01Å; Q35-S39 PolarHBondContact O-OG 3.39Å
36L96.8Very high96.8Very high77 Ų7745.5 Ų45.540%0.40324%0.239SC..Hα-helixtrans-65.1-48.6179.8-179.461.6000112.1H32 D33 G34 S39 K40H32-L36 WeakPolarHBondContact O-CB 3.45Å; H32-L36 PolarHBondContact O-N 3.45Å; D33-L36 PolarHBondContact O-N 3.46Å; G34-L36 VanDerWaalsContact C-N 3.32Å; G34-L36 PolarHBondContact O-N 2.97Å; L36-S39 PolarHBondContact O-OG 3.43Å; L36-K40 WeakPolarHBondContact O-CE 3.13Å; L36-K40 WeakPolarHBondContact O-CG 3.38Å
37E97Very high96.8Very high29 Ų2946.2 Ų46.214%0.13624%0.243CC..Hα-helixtrans-78-40.9-172.7-67-58.1113.500112.9F9 D33 G34 S39 K40 K41 P45F9-E37 HydrophobicContact CD2-CG 4.29Å; F9-E37 HydrophobicContact CE2-CG 3.86Å; D33-E37 WeakPolarHBondContact O-CB 3.48Å; D33-E37 WeakPolarHBondContact O-CG 3.47Å; D33-E37 PolarHBondContact O-N 3.15Å; G34-E37 PolarHBondContact O-N 3.37Å; E37-S39 PolarHBondContact O-N 2.87Å; E37-K40 WeakPolarHBondContact O-CB 3.47Å; E37-K40 PolarHBondContact O-N 2.9Å; E37-K40 IonicContact OE1-NZ 3.97Å; E37-K40 PolarHBondContact OE1-NZ 2.9Å; E37-K41 PolarHBondContact O-N 3.2Å; E37-P45 HydrophobicContact CB-CB 4.41Å; E37-P45 HydrophobicContact CB-CG 3.58Å; E37-P45 HydrophobicContact CG-CB 4.31Å; E37-P45 HydrophobicContact CG-CG 4Å
38F96.3Very high96.7Very high20 Ų2049.4 Ų49.49%0.08826%0.261CS..Hα-helixtrans-73.5-15.7178.9-61.8-54.5000113.1W21 T23 F29 G34 K40 P45 L51 I57W21-F38 HydrophobicContact CB-CD2 4.03Å; W21-F38 HydrophobicContact CB-CE2 3.62Å; W21-F38 AromaticContact CD2-CD2 3.86Å; W21-F38 HydrophobicContact CD2-CD2 3.86Å; W21-F38 HydrophobicContact CD2-CE2 4.37Å; W21-F38 AromaticContact CE3-CD2 3.53Å; W21-F38 HydrophobicContact CE3-CD2 3.53Å; W21-F38 HydrophobicContact CE3-CE2 4.19Å; W21-F38 HydrophobicContact CE3-CG 4.34Å; W21-F38 HydrophobicContact CG-CD2 4.09Å; W21-F38 HydrophobicContact CG-CE2 4.18Å; W21-F38 HydrophobicContact CZ3-CB 4.39Å; W21-F38 HydrophobicContact CZ3-CD2 4.23Å; T23-F38 HydrophobicContact CG2-CE1 4.13Å; T23-F38 HydrophobicContact CG2-CE2 4.48Å; T23-F38 HydrophobicContact CG2-CZ 3.57Å; F29-F38 AromaticContact CD2-CE2 3.9Å; F29-F38 HydrophobicContact CD2-CE2 3.9Å; F29-F38 AromaticContact CD2-CZ 3.83Å; F29-F38 HydrophobicContact CD2-CZ 3.83Å; F29-F38 HydrophobicContact CE2-CE2 4.41Å; F29-F38 AromaticContact CE2-CZ 3.87Å; F29-F38 HydrophobicContact CE2-CZ 3.87Å; G34-F38 VanDerWaalsContact O-CB 3.32Å; G34-F38 WeakPolarHBondContact O-CB 3.47Å; G34-F38 WeakPolarHBondContact O-CD2 3.47Å; G34-F38 WeakPolarHBondContact O-CG 3.38Å; G34-F38 PolarHBondContact O-N 3.09Å; F38-K40 VanDerWaalsContact C-N 3.27Å; F38-P45 HydrophobicContact CE1-CG 4.25Å; F38-P45 HydrophobicContact CZ-CG 4.23Å; F38-L51 HydrophobicContact CE1-CD1 3.98Å; F38-I57 HydrophobicContact CD1-CD1 3.61Å; F38-I57 HydrophobicContact CD1-CG1 4.26Å; F38-I57 HydrophobicContact CD1-CG2 4.37Å; F38-I57 HydrophobicContact CD2-CG2 3.99Å; F38-I57 HydrophobicContact CE1-CD1 3.93Å; F38-I57 HydrophobicContact CE1-CG1 4.16Å; F38-I57 HydrophobicContact CE2-CG2 4.19Å; F38-I57 HydrophobicContact CG-CD1 4.23Å; F38-I57 HydrophobicContact CG-CG2 4.13Å; F38-I57 HydrophobicContact CZ-CG2 4.44Å
39S94.9Very high96.7Very high92 Ų9251.2 Ų51.264%0.64328%0.276SS*.THydrogen-bonded Turntrans-70.6-22.3167.475.50000113.4Q35 L36 E37Q35-S39 VanDerWaalsContact O-CB 3.3Å; Q35-S39 WeakPolarHBondContact O-CB 3.49Å; Q35-S39 PolarHBondContact O-N 3.01Å; Q35-S39 PolarHBondContact O-OG 3.39Å; L36-S39 PolarHBondContact O-OG 3.43Å; E37-S39 PolarHBondContact O-N 2.87Å
40K95Very high96.6Very high131 Ų13153.8 Ų53.857%0.5730%0.303SS*.THydrogen-bonded Turntrans-94.7-45-176.1-60.7168.1-170.1168.60112.3L36 E37 F38L36-K40 WeakPolarHBondContact O-CE 3.13Å; L36-K40 WeakPolarHBondContact O-CG 3.38Å; E37-K40 WeakPolarHBondContact O-CB 3.47Å; E37-K40 PolarHBondContact O-N 2.9Å; E37-K40 IonicContact OE1-NZ 3.97Å; E37-K40 PolarHBondContact OE1-NZ 2.9Å; F38-K40 VanDerWaalsContact C-N 3.27Å
41K93.7Very high96.6Very high83 Ų8353.5 Ų53.536%0.36130%0.3SS..  trans-147.9144.2-174.966.5178.2-170.2168.40111.9E37 A43 D48E37-K41 PolarHBondContact O-N 3.2Å; K41-A43 HydrophobicContact CD-CB 4Å; K41-A43 HydrophobicContact CG-CB 4.17Å; K41-A43 PolarHBondContact O-N 3.39Å; K41-D48 IonicContact NZ-OD1 3.33Å; K41-D48 PolarHBondContact NZ-OD1 3.23Å; K41-D48 VanDerWaalsContact NZ-OD1 3.07Å
42L95.2Very high96.5Very high113 Ų11356.8 Ų56.859%0.59232%0.324SS*.SBendtrans-8459.5169.2-64.5177.4000110.5L51 I57L42-L51 PolarHBondContact O-N 2.85Å; L42-I57 HydrophobicContact CD2-CD1 3.89Å
43A97.3Very high96.4Very high17 Ų1753.6 Ų53.614%0.1432%0.318CS..BIsolated β-bridgetrans-143.4144.6176.200000110.6K41 P45 A49K41-A43 HydrophobicContact CD-CB 4Å; K41-A43 HydrophobicContact CG-CB 4.17Å; K41-A43 PolarHBondContact O-N 3.39Å; A43-P45 VanDerWaalsContact O-CD 3.31Å; A43-P45 WeakPolarHBondContact O-CD 3.38Å; A43-A49 CarbonylContact C-O 3.47Å; A43-A49 VanDerWaalsContact CA-O 3.24Å; A43-A49 WeakPolarHBondContact CA-O 3.46Å
44C97.8Very high96.1Very high0 Ų061.4 Ų61.40%035%0.352CS..  trans-63.2123.5-178.6-178.60000111.4C25 H27 A46 C47 D48 A49 L51C25-C44 PolarHBondContact SG-SG 3.42Å; H27-C44 PolarHBondContact ND1-SG 3.04Å; C44-A46 PolarHBondContact O-N 3.34Å; C44-A46 VanDerWaalsContact O-N 3.17Å; C44-A46 PolarHBondContact SG-N 3.1Å; C44-A46 VanDerWaalsContact SG-N 3.43Å; C44-C47 VanDerWaalsContact SG-SG 3.61Å; C44-D48 WeakPolarHBondContact O-CA 3.41Å; C44-D48 PolarHBondContact O-N 2.98Å; C44-A49 HydrophobicContact CB-CB 4.42Å; C44-A49 PolarHBondContact N-O 2.85Å; C44-L51 HydrophobicContact CB-CD1 4Å; C44-L51 HydrophobicContact CB-CG 4.49Å
45P96.9Very high96Very high11 Ų1168.1 Ų68.17%0.07138%0.381CS..THydrogen-bonded Turntrans-65.2-16.2177.4-24.434.6000115.1F9 F29 E37 F38 A43F9-P45 HydrophobicContact CD2-CB 3.74Å; F9-P45 HydrophobicContact CE2-CB 4.09Å; F29-P45 HydrophobicContact CE1-CB 3.84Å; F29-P45 HydrophobicContact CE1-CG 4.13Å; F29-P45 HydrophobicContact CE2-CG 4.45Å; F29-P45 HydrophobicContact CZ-CB 4.07Å; F29-P45 HydrophobicContact CZ-CG 4.08Å; E37-P45 HydrophobicContact CB-CB 4.41Å; E37-P45 HydrophobicContact CB-CG 3.58Å; E37-P45 HydrophobicContact CG-CB 4.31Å; E37-P45 HydrophobicContact CG-CG 4Å; F38-P45 HydrophobicContact CE1-CG 4.25Å; F38-P45 HydrophobicContact CZ-CG 4.23Å; A43-P45 VanDerWaalsContact O-CD 3.31Å; A43-P45 WeakPolarHBondContact O-CD 3.38Å
46A96.6Very high96Very high18 Ų1864 Ų6415%0.14936%0.363CS..THydrogen-bonded Turntrans-90.4-50-178.900000112.6N8 R10 H27 F29 C44N8-A46 HydrophobicContact CB-CB 4.35Å; R10-A46 PolarHBondContact NH2-O 3.4Å; H27-A46 HydrophobicContact CB-CB 4.23Å; H27-A46 WeakPolarHBondContact CD2-CB 3.27Å; F29-A46 HydrophobicContact CE1-CB 4.17Å; F29-A46 HydrophobicContact CZ-CB 3.91Å; C44-A46 PolarHBondContact O-N 3.34Å; C44-A46 VanDerWaalsContact O-N 3.17Å; C44-A46 PolarHBondContact SG-N 3.1Å; C44-A46 VanDerWaalsContact SG-N 3.43Å
47C96.6Very high96Very high59 Ų5961.7 Ų61.740%0.39935%0.351SS..THydrogen-bonded Turntrans-116.41.5-172.9680000115.1H27 C44 A49H27-C47 VanDerWaalsContact CE1-SG 3.58Å; C44-C47 VanDerWaalsContact SG-SG 3.61Å; C47-A49 PolarHBondContact O-N 3.24Å
48D96.8Very high96Very high94 Ų9464.9 Ų64.950%0.50337%0.365SS..  trans59.512.5-179.5-63.8-60.3000115.6R10 K41 C44 G50R10-D48 IonicContact NH2-OD2 3.3Å; K41-D48 IonicContact NZ-OD1 3.33Å; K41-D48 PolarHBondContact NZ-OD1 3.23Å; K41-D48 VanDerWaalsContact NZ-OD1 3.07Å; C44-D48 WeakPolarHBondContact O-CA 3.41Å; C44-D48 PolarHBondContact O-N 2.98Å; D48-G50 PolarHBondContact O-N 3.14Å
49A97.1Very high96Very high37 Ų3769.3 Ų69.331%0.30638%0.381SS..  trans-59.3134.7171.600000110.8C25 A43 C44 C47C25-A49 HydrophobicContact CB-CB 4.46Å; A43-A49 CarbonylContact C-O 3.47Å; A43-A49 VanDerWaalsContact CA-O 3.24Å; A43-A49 WeakPolarHBondContact CA-O 3.46Å; C44-A49 HydrophobicContact CB-CB 4.42Å; C44-A49 PolarHBondContact N-O 2.85Å; C47-A49 PolarHBondContact O-N 3.24Å
50G97.1Very high96.1Very high55 Ų5567.9 Ų67.957%0.56737%0.365SS*.BIsolated β-bridgetrans-67.9136.5172.500000111D48 P52D48-G50 PolarHBondContact O-N 3.14Å; G50-P52 WeakPolarHBondContact O-CD 3.35Å
51L97Very high96.1Very high4 Ų465.1 Ų65.12%0.02136%0.356CS..  trans-122.358.1-175-62178000111.6T23 F38 L42 C44 G53 D56 I57T23-L51 HydrophobicContact CG2-CD1 3.57Å; F38-L51 HydrophobicContact CE1-CD1 3.98Å; L42-L51 PolarHBondContact O-N 2.85Å; C44-L51 HydrophobicContact CB-CD1 4Å; C44-L51 HydrophobicContact CB-CG 4.49Å; L51-G53 VanDerWaalsContact C-N 3.33Å; L51-D56 VanDerWaalsContact C-OD2 3.28Å; L51-D56 WeakPolarHBondContact CA-OD2 3.5Å; L51-D56 HydrophobicContact CB-CB 3.74Å; L51-D56 HydrophobicContact CD2-CB 3.97Å; L51-D56 HydrophobicContact CG-CB 4.39Å; L51-I57 HydrophobicContact CB-CD1 3.79Å; L51-I57 HydrophobicContact CB-CG1 3.88Å; L51-I57 HydrophobicContact CD1-CD1 3.86Å; L51-I57 HydrophobicContact CD1-CG1 3.53Å; L51-I57 HydrophobicContact CG-CD1 4.5Å; L51-I57 HydrophobicContact CG-CG1 4.3Å
52P95.1Very high96.2Very high113 Ų11363.6 Ų63.673%0.73435%0.351SS*.  trans-78.9-15.4-175.734.7-37.5000113.7G50 D56G50-P52 WeakPolarHBondContact O-CD 3.35Å; P52-D56 WeakPolarHBondContact CD-OD2 3.33Å
53G94.8Very high96.2Very high34 Ų3463 Ų6335%0.35135%0.348SS..SBendtrans-73.2147.2-17400000112.8L51 F55 D56L51-G53 VanDerWaalsContact C-N 3.33Å; G53-F55 PolarHBondContact O-N 2.89Å; G53-D56 VanDerWaalsContact CA-OD2 3.22Å; G53-D56 WeakPolarHBondContact CA-OD2 3.37Å; G53-D56 PolarHBondContact N-OD2 3.46Å; G53-D56 WeakPolarHBondContact O-CB 3.31Å; G53-D56 PolarHBondContact O-N 3.2Å
54K93.3Very high96.1Very high180 Ų18064 Ų6478%0.78335%0.354SS*.THydrogen-bonded Turntrans-54.8-29.3177.9-176.8179.5177.2-176.20113.4
55F93.8Very high96Very high142 Ų14267.8 Ų67.862%0.62338%0.377SS*.THydrogen-bonded Turntrans-109.511.1-177-63.2-85.3000113.2G53 F58G53-F55 PolarHBondContact O-N 2.89Å; F55-F58 VanDerWaalsContact CA-CE2 3.42Å; F55-F58 HydrophobicContact CB-CE2 3.73Å; F55-F58 HydrophobicContact CB-CZ 4.31Å; F55-F58 AromaticContact CD1-CE2 3.52Å; F55-F58 HydrophobicContact CD1-CE2 3.52Å; F55-F58 AromaticContact CD1-CZ 3.31Å; F55-F58 HydrophobicContact CD1-CZ 3.31Å; F55-F58 AromaticContact CE1-CZ 3.94Å; F55-F58 HydrophobicContact CE1-CZ 3.94Å; F55-F58 HydrophobicContact CG-CE2 4.07Å; F55-F58 HydrophobicContact CG-CZ 4.17Å
56D96.6Very high96Very high34 Ų3473 Ų7318%0.18240%0.4CS..SBendtrans-78.7-22.6-175.5-80.2-21.1000113.6T23 S24 L51 P52 G53T23-D56 CarbonylContact C-O 3.48Å; T23-D56 WeakPolarHBondContact CA-O 3.42Å; S24-D56 VanDerWaalsContact CB-OD1 3.29Å; S24-D56 WeakPolarHBondContact CB-OD1 3.44Å; S24-D56 PolarHBondContact N-O 3.4Å; S24-D56 VanDerWaalsContact OG-CG 3.32Å; S24-D56 PolarHBondContact OG-OD1 2.97Å; L51-D56 VanDerWaalsContact C-OD2 3.28Å; L51-D56 WeakPolarHBondContact CA-OD2 3.5Å; L51-D56 HydrophobicContact CB-CB 3.74Å; L51-D56 HydrophobicContact CD2-CB 3.97Å; L51-D56 HydrophobicContact CG-CB 4.39Å; P52-D56 WeakPolarHBondContact CD-OD2 3.33Å; G53-D56 VanDerWaalsContact CA-OD2 3.22Å; G53-D56 WeakPolarHBondContact CA-OD2 3.37Å; G53-D56 PolarHBondContact N-OD2 3.46Å; G53-D56 WeakPolarHBondContact O-CB 3.31Å; G53-D56 PolarHBondContact O-N 3.2Å
57I97Very high96Very high30 Ų3078.7 Ų78.715%0.15442%0.424CS..EExtended strand (participates in β ladder)trans-135.5126.4-179.8-59.2163.3000108.5W21 V22 F38 L42 L51W21-I57 HydrophobicContact CE3-CG2 3.54Å; W21-I57 HydrophobicContact CZ3-CG2 3.87Å; V22-I57 WeakPolarHBondContact O-CA 3.43Å; F38-I57 HydrophobicContact CD1-CD1 3.61Å; F38-I57 HydrophobicContact CD1-CG1 4.26Å; F38-I57 HydrophobicContact CD1-CG2 4.37Å; F38-I57 HydrophobicContact CD2-CG2 3.99Å; F38-I57 HydrophobicContact CE1-CD1 3.93Å; F38-I57 HydrophobicContact CE1-CG1 4.16Å; F38-I57 HydrophobicContact CE2-CG2 4.19Å; F38-I57 HydrophobicContact CG-CD1 4.23Å; F38-I57 HydrophobicContact CG-CG2 4.13Å; F38-I57 HydrophobicContact CZ-CG2 4.44Å; L42-I57 HydrophobicContact CD2-CD1 3.89Å; L51-I57 HydrophobicContact CB-CD1 3.79Å; L51-I57 HydrophobicContact CB-CG1 3.88Å; L51-I57 HydrophobicContact CD1-CD1 3.86Å; L51-I57 HydrophobicContact CD1-CG1 3.53Å; L51-I57 HydrophobicContact CG-CD1 4.5Å; L51-I57 HydrophobicContact CG-CG1 4.3Å
58F96.2Very high96.1Very high96 Ų9681.5 Ų81.542%0.42143%0.429SS..EExtended strand (participates in β ladder)trans-130.7133.3173.8-84.6-78000111.7W21 V22 F55 I60W21-F58 CarbonylContact C-O 3.56Å; W21-F58 VanDerWaalsContact CA-O 3.31Å; W21-F58 WeakPolarHBondContact CA-O 3.31Å; V22-F58 PolarHBondContact N-O 3.23Å; V22-F58 PolarHBondContact O-N 3.19Å; F55-F58 VanDerWaalsContact CA-CE2 3.42Å; F55-F58 HydrophobicContact CB-CE2 3.73Å; F55-F58 HydrophobicContact CB-CZ 4.31Å; F55-F58 AromaticContact CD1-CE2 3.52Å; F55-F58 HydrophobicContact CD1-CE2 3.52Å; F55-F58 AromaticContact CD1-CZ 3.31Å; F55-F58 HydrophobicContact CD1-CZ 3.31Å; F55-F58 AromaticContact CE1-CZ 3.94Å; F55-F58 HydrophobicContact CE1-CZ 3.94Å; F55-F58 HydrophobicContact CG-CE2 4.07Å; F55-F58 HydrophobicContact CG-CZ 4.17Å; F58-I60 HydrophobicContact CB-CG2 4.19Å
59R97.2Very high96Very high113 Ų11382.2 Ų82.243%0.42643%0.428SS..EExtended strand (participates in β ladder)trans-87119.7161.9-171.1178.5179.6-86.60.3108.8H19 A20 W21 D31H19-R59 PolarHBondContact CD2-NH1 3.06Å; H19-R59 PolarHBondContact CD2-NH2 3.09Å; H19-R59 VanDerWaalsContact CD2-NH2 3.28Å; H19-R59 PolarHBondContact ND1-NH2 2.91Å; H19-R59 PolarHBondContact NE2-NH1 3.49Å; A20-R59 CarbonylContact O-C 3.52Å; A20-R59 WeakPolarHBondContact O-CA 3.48Å; W21-R59 HydrophobicContact CD2-CB 4.03Å; W21-R59 HydrophobicContact CD2-CG 4.29Å; W21-R59 HydrophobicContact CE3-CB 4.16Å; W21-R59 HydrophobicContact CH2-CB 4.26Å; W21-R59 HydrophobicContact CZ2-CB 4.11Å; W21-R59 HydrophobicContact CZ2-CG 4.18Å; W21-R59 HydrophobicContact CZ3-CB 4.28Å; D31-R59 IonicContact OD1-CZ 3.39Å; D31-R59 IonicContact OD1-NE 2.71Å; D31-R59 PolarHBondContact OD1-NE 2.91Å; D31-R59 IonicContact OD1-NH2 3.62Å; D31-R59 PolarHBondContact OD1-NH2 2.92Å; D31-R59 IonicContact OD2-CZ 2.75Å; D31-R59 IonicContact OD2-NE 2.9Å; D31-R59 IonicContact OD2-NH2 2.71Å; D31-R59 PolarHBondContact OD2-NH2 3.21Å
60I96.3Very high96Very high61 Ų6184.4 Ų84.431%0.31344%0.442SS..EExtended strand (participates in β ladder)trans-112.4151-17862.2166.5000111.1H19 A20 V22 F58 M62H19-I60 VanDerWaalsContact CA-O 3.29Å; H19-I60 WeakPolarHBondContact CA-O 3.36Å; A20-I60 HydrophobicContact CB-CD1 4.34Å; A20-I60 HydrophobicContact CB-CG1 3.93Å; A20-I60 PolarHBondContact N-O 3.35Å; A20-I60 PolarHBondContact O-N 3.14Å; V22-I60 HydrophobicContact CG2-CD1 3.55Å; V22-I60 HydrophobicContact CG2-CG1 4Å; F58-I60 HydrophobicContact CB-CG2 4.19Å; I60-M62 HydrophobicContact CD1-SD 3.68Å; I60-M62 HydrophobicContact CG1-SD 4.12Å
61N96.4Very high96Very high73 Ų7388.1 Ų88.139%0.3945%0.446SS..EExtended strand (participates in β ladder)trans-91.6124.8166.4177.98000108.2D18 N63D18-N61 PolarHBondContact O-OD1 2.86Å; N61-N63 VanDerWaalsContact C-N 3.3Å; N61-N63 PolarHBondContact ND2-O 3.07Å; N61-N63 WeakPolarHBondContact OD1-CA 3.44Å; N61-N63 PolarHBondContact OD1-N 2.95Å; N61-N63 PolarHBondContact OD1-O 2.94Å
62M95.2Very high95.9Very high51 Ų5191.8 Ų91.825%0.25147%0.468SS..SBendtrans-79.5-17.3-180-63.3-58.7-57.700112.7L5 I16 E17 D18 A20 I60 P64L5-M62 HydrophobicContact CD1-CE 3.95Å; I16-M62 HydrophobicContact CG2-CE 3.81Å; I16-M62 HydrophobicContact CG2-CG 3.69Å; I16-M62 HydrophobicContact CG2-SD 3.63Å; E17-M62 WeakPolarHBondContact O-CB 3.36Å; E17-M62 WeakPolarHBondContact O-CG 3.39Å; D18-M62 WeakPolarHBondContact O-CB 3.43Å; D18-M62 PolarHBondContact O-N 2.99Å; A20-M62 HydrophobicContact CB-CG 4.24Å; A20-M62 HydrophobicContact CB-SD 3.83Å; I60-M62 HydrophobicContact CD1-SD 3.68Å; I60-M62 HydrophobicContact CG1-SD 4.12Å; M62-P64 VanDerWaalsContact O-CD 3.23Å; M62-P64 WeakPolarHBondContact O-CD 3.38Å
63N94.2Very high96Very high100 Ų10088.9 Ų88.954%0.53545%0.446SS..SBendtrans-118.166.5178.3-61.8-53.5000110.2E17 N61E17-N63 PolarHBondContact O-ND2 3.44Å; N61-N63 VanDerWaalsContact C-N 3.3Å; N61-N63 PolarHBondContact ND2-O 3.07Å; N61-N63 WeakPolarHBondContact OD1-CA 3.44Å; N61-N63 PolarHBondContact OD1-N 2.95Å; N61-N63 PolarHBondContact OD1-O 2.94Å
64P95.2Very high96.1Very high39 Ų3990 Ų9025%0.25345%0.452SS..  trans-64.5144.9179.326.3-32.6000111.1M62 F68 K69M62-P64 VanDerWaalsContact O-CD 3.23Å; M62-P64 WeakPolarHBondContact O-CD 3.38Å; P64-F68 HydrophobicContact CB-CB 4.38Å; P64-F68 HydrophobicContact CB-CD1 3.57Å; P64-F68 HydrophobicContact CB-CE1 4.23Å; P64-F68 HydrophobicContact CB-CG 4.25Å; P64-K69 HydrophobicContact CB-CG 4.36Å; P64-K69 HydrophobicContact CG-CG 4.19Å; P64-K69 VanDerWaalsContact O-CE 3.26Å; P64-K69 WeakPolarHBondContact O-CE 3.33Å
65T96.7Very high96.3Very high79 Ų7985.4 Ų85.449%0.48546%0.456SS..  trans-68.7157.7176.664.60000111.5Q67 F68 K69T65-Q67 PolarHBondContact O-N 2.92Å; T65-Q67 PolarHBondContact OG1-OE1 3.47Å; T65-F68 WeakPolarHBondContact O-CB 3.45Å; T65-F68 PolarHBondContact O-N 3.37Å; T65-F68 PolarHBondContact OG1-N 3.45Å; T65-K69 WeakPolarHBondContact O-CG 3.32Å; T65-K69 PolarHBondContact O-N 3.45Å
66E97.2Very high96.6Very high120 Ų12083.4 Ų83.456%0.56145%0.448SS*.Hα-helixtrans-59.5-34.4176.6-66-52.5120.800112.5K69 S70E66-K69 PolarHBondContact O-N 2.95Å; E66-K69 IonicContact OE1-NZ 3.06Å; E66-K69 PolarHBondContact OE1-NZ 3.41Å; E66-S70 WeakPolarHBondContact O-CB 3.32Å; E66-S70 PolarHBondContact O-N 2.92Å; E66-S70 PolarHBondContact O-OG 3.19Å
67Q97.2Very high96.6Very high138 Ų13885.7 Ų85.765%0.64546%0.46SS*.Hα-helixtrans-63.1-43.3173.9-61.682.37.600111.5T65 S70 M71T65-Q67 PolarHBondContact O-N 2.92Å; T65-Q67 PolarHBondContact OG1-OE1 3.47Å; Q67-S70 PolarHBondContact O-N 2.89Å; Q67-M71 WeakPolarHBondContact O-CB 3.5Å; Q67-M71 VanDerWaalsContact O-CG 3.28Å; Q67-M71 WeakPolarHBondContact O-CG 3.47Å; Q67-M71 PolarHBondContact O-N 3.17Å
68F96.9Very high96.7Very high118 Ų11888.6 Ų88.652%0.51848%0.482SS..Hα-helixtrans-63.2-47.3177.3179.3-89.7000111.4P64 T65 S70 M71 V72P64-F68 HydrophobicContact CB-CB 4.38Å; P64-F68 HydrophobicContact CB-CD1 3.57Å; P64-F68 HydrophobicContact CB-CE1 4.23Å; P64-F68 HydrophobicContact CB-CG 4.25Å; T65-F68 WeakPolarHBondContact O-CB 3.45Å; T65-F68 PolarHBondContact O-N 3.37Å; T65-F68 PolarHBondContact OG1-N 3.45Å; F68-S70 PolarHBondContact O-N 3.45Å; F68-M71 PolarHBondContact O-N 3.45Å; F68-M71 VanDerWaalsContact O-N 3.09Å; F68-V72 HydrophobicContact CD1-CB 4.37Å; F68-V72 HydrophobicContact CE1-CB 3.96Å; F68-V72 HydrophobicContact CE1-CG1 4.31Å; F68-V72 HydrophobicContact CE1-CG2 3.97Å; F68-V72 HydrophobicContact CZ-CB 4.06Å; F68-V72 HydrophobicContact CZ-CG2 3.78Å; F68-V72 WeakPolarHBondContact O-CB 3.4Å; F68-V72 PolarHBondContact O-N 3.24Å
69K96.2Very high96.8Very high109 Ų10991.6 Ų91.647%0.47450%0.497SS..Hα-helixtrans-56.7-37.4178.4-66.8175.3-170.5167.20112.1P64 T65 E66P64-K69 HydrophobicContact CB-CG 4.36Å; P64-K69 HydrophobicContact CG-CG 4.19Å; P64-K69 VanDerWaalsContact O-CE 3.26Å; P64-K69 WeakPolarHBondContact O-CE 3.33Å; T65-K69 WeakPolarHBondContact O-CG 3.32Å; T65-K69 PolarHBondContact O-N 3.45Å; E66-K69 PolarHBondContact O-N 2.95Å; E66-K69 IonicContact OE1-NZ 3.06Å; E66-K69 PolarHBondContact OE1-NZ 3.41Å
70S95.8Very high96.8Very high84 Ų8488.1 Ų88.159%0.58749%0.488SS*.Hα-helixtrans-72.8-30.7179.6-58.30000113.1E66 Q67 F68E66-S70 WeakPolarHBondContact O-CB 3.32Å; E66-S70 PolarHBondContact O-N 2.92Å; E66-S70 PolarHBondContact O-OG 3.19Å; Q67-S70 PolarHBondContact O-N 2.89Å; F68-S70 PolarHBondContact O-N 3.45Å
71M97.2Very high96.9Very high133 Ų13387.9 Ų87.966%0.65549%0.487SS*.Hα-helixtrans-99.2-27.6-170.9-67-56.3-60.400114.2Q67 F68 L73 A74Q67-M71 WeakPolarHBondContact O-CB 3.5Å; Q67-M71 VanDerWaalsContact O-CG 3.28Å; Q67-M71 WeakPolarHBondContact O-CG 3.47Å; Q67-M71 PolarHBondContact O-N 3.17Å; F68-M71 PolarHBondContact O-N 3.45Å; F68-M71 VanDerWaalsContact O-N 3.09Å; M71-L73 PolarHBondContact O-N 3.01Å; M71-L73 VanDerWaalsContact O-N 3.09Å; M71-A74 PolarHBondContact O-N 3.01Å; M71-A74 VanDerWaalsContact O-N 3.1Å
72V96Very high97Very high81 Ų8191.9 Ų91.949%0.49150%0.501SS..THydrogen-bonded Turntrans-58-30.1-169.662.70000114.4F68F68-V72 HydrophobicContact CD1-CB 4.37Å; F68-V72 HydrophobicContact CE1-CB 3.96Å; F68-V72 HydrophobicContact CE1-CG1 4.31Å; F68-V72 HydrophobicContact CE1-CG2 3.97Å; F68-V72 HydrophobicContact CZ-CB 4.06Å; F68-V72 HydrophobicContact CZ-CG2 3.78Å; F68-V72 WeakPolarHBondContact O-CB 3.4Å; F68-V72 PolarHBondContact O-N 3.24Å
73L97.1Very high97.2Very high51 Ų5193.5 Ų93.527%0.26751%0.508SS..THydrogen-bonded Turntrans-118.57.3177.4-66175.2000113.4M71 G75 Q76 I81 V84M71-L73 PolarHBondContact O-N 3.01Å; M71-L73 VanDerWaalsContact O-N 3.09Å; L73-G75 PolarHBondContact O-N 3.1Å; L73-Q76 WeakPolarHBondContact O-CB 3.39Å; L73-Q76 WeakPolarHBondContact O-CG 3.37Å; L73-Q76 PolarHBondContact O-N 3.34Å; L73-I81 HydrophobicContact CB-CG1 4.46Å; L73-I81 HydrophobicContact CD1-CG2 4.37Å; L73-V84 HydrophobicContact CD2-CB 4.35Å; L73-V84 HydrophobicContact CD2-CG1 4.15Å; L73-V84 HydrophobicContact CD2-CG2 4.35Å
74A97.2Very high97.3Very high57 Ų5791.7 Ų91.747%0.47150%0.5SS..THydrogen-bonded Turntrans-63.1133.6-178.500000111.2M71 Q76M71-A74 PolarHBondContact O-N 3.01Å; M71-A74 VanDerWaalsContact O-N 3.1Å; A74-Q76 VanDerWaalsContact C-N 3.31Å; A74-Q76 PolarHBondContact O-N 2.98Å
75G97.7Very high97.4Very high84 Ų8492.3 Ų92.387%0.86651%0.505SS*.THydrogen-bonded Turntrans82.7-1.9-179.800000115.4L73L73-G75 PolarHBondContact O-N 3.1Å
76Q98.2Very high97.5Very high100 Ų10091.5 Ų91.547%0.46750%0.503SS..  trans-76.9152.3172-61.3-58.4-38.800111.3L73 A74 T80 I81L73-Q76 WeakPolarHBondContact O-CB 3.39Å; L73-Q76 WeakPolarHBondContact O-CG 3.37Å; L73-Q76 PolarHBondContact O-N 3.34Å; A74-Q76 VanDerWaalsContact C-N 3.31Å; A74-Q76 PolarHBondContact O-N 2.98Å; Q76-T80 HydrophobicContact CB-CG2 4.42Å; Q76-T80 HydrophobicContact CG-CG2 4.49Å; Q76-I81 HydrophobicContact CB-CD1 4.33Å; Q76-I81 HydrophobicContact CB-CG1 3.87Å
77N98.3Very high97.5Very high82 Ų8292.9 Ų92.944%0.43950%0.503SS..  trans-73.9159.2172.871.153000110.8E79 T80 I81N77-E79 VanDerWaalsContact C-N 3.29Å; N77-E79 PolarHBondContact O-N 3.28Å; N77-E79 WeakPolarHBondContact OD1-CB 3.49Å; N77-E79 PolarHBondContact OD1-N 2.98Å; N77-E79 VanDerWaalsContact OD1-N 3.08Å; N77-T80 PolarHBondContact ND2-OG1 2.93Å; N77-T80 PolarHBondContact O-N 3.39Å; N77-T80 PolarHBondContact OD1-N 3.34Å; N77-T80 PolarHBondContact OD1-OG1 3.42Å; N77-I81 WeakPolarHBondContact O-CG1 3.45Å; N77-I81 PolarHBondContact O-N 3.39Å; N77-I81 VanDerWaalsContact O-N 3.14Å
78P98.1Very high97.5Very high92 Ų9289.1 Ų89.160%0.59750%0.495SS*.Hα-helixtrans-57.5-36.8-178-27.836.2000114.5I81 F82P78-I81 PolarHBondContact O-N 2.94Å; P78-F82 WeakPolarHBondContact O-CD2 3.18Å; P78-F82 PolarHBondContact O-N 2.98Å
79E98.3Very high97.5Very high158 Ų15889 Ų8974%0.73850%0.498SS*.Hα-helixtrans-61.7-50.1-180-174.9176.9-172.600111.1N77 I81 F82 E83N77-E79 VanDerWaalsContact C-N 3.29Å; N77-E79 PolarHBondContact O-N 3.28Å; N77-E79 WeakPolarHBondContact OD1-CB 3.49Å; N77-E79 PolarHBondContact OD1-N 2.98Å; N77-E79 VanDerWaalsContact OD1-N 3.08Å; E79-I81 VanDerWaalsContact C-N 3.32Å; E79-I81 PolarHBondContact O-N 3.21Å; E79-F82 PolarHBondContact O-N 2.97Å; E79-E83 WeakPolarHBondContact O-CB 3.45Å; E79-E83 PolarHBondContact O-N 2.94Å
80T98.3Very high97.6Very high40 Ų4087 Ų8725%0.24550%0.498CS..Hα-helixtrans-59.8-41.1175.7-56.80000111.7Q76 N77 E83 V84Q76-T80 HydrophobicContact CB-CG2 4.42Å; Q76-T80 HydrophobicContact CG-CG2 4.49Å; N77-T80 PolarHBondContact ND2-OG1 2.93Å; N77-T80 PolarHBondContact O-N 3.39Å; N77-T80 PolarHBondContact OD1-N 3.34Å; N77-T80 PolarHBondContact OD1-OG1 3.42Å; T80-E83 PolarHBondContact O-N 3.38Å; T80-V84 HydrophobicContact CG2-CG2 4.44Å; T80-V84 WeakPolarHBondContact O-CG2 3.49Å; T80-V84 PolarHBondContact O-N 3.21Å
81I98.2Very high97.7Very high57 Ų5785 Ų8529%0.29248%0.479SS..Hα-helixtrans-60.7-49.8178.5-68.1168.5000110.4L73 Q76 N77 P78 E79 E83 V84 C85L73-I81 HydrophobicContact CB-CG1 4.46Å; L73-I81 HydrophobicContact CD1-CG2 4.37Å; Q76-I81 HydrophobicContact CB-CD1 4.33Å; Q76-I81 HydrophobicContact CB-CG1 3.87Å; N77-I81 WeakPolarHBondContact O-CG1 3.45Å; N77-I81 PolarHBondContact O-N 3.39Å; N77-I81 VanDerWaalsContact O-N 3.14Å; P78-I81 PolarHBondContact O-N 2.94Å; E79-I81 VanDerWaalsContact C-N 3.32Å; E79-I81 PolarHBondContact O-N 3.21Å; I81-E83 VanDerWaalsContact C-N 3.31Å; I81-E83 PolarHBondContact O-N 3.15Å; I81-V84 PolarHBondContact O-N 3.43Å; I81-C85 WeakPolarHBondContact O-CB 3.04Å; I81-C85 PolarHBondContact O-N 2.87Å; I81-C85 PolarHBondContact O-SG 2.94Å
82F98.1Very high97.6Very high156 Ų15683.6 Ų83.668%0.68447%0.466SS*.Hα-helixtrans-63.3-38.8178.2-81.4-65.1000112.3P78 E79 C85 S86P78-F82 WeakPolarHBondContact O-CD2 3.18Å; P78-F82 PolarHBondContact O-N 2.98Å; E79-F82 PolarHBondContact O-N 2.97Å; F82-C85 PolarHBondContact O-N 2.97Å; F82-S86 VanDerWaalsContact O-CB 3.24Å; F82-S86 WeakPolarHBondContact O-CB 3.33Å; F82-S86 PolarHBondContact O-N 3.27Å
83E98.2Very high97.7Very high85 Ų8584.5 Ų84.540%0.39747%0.468SS..Hα-helixtrans-63.3-45.7179.1-157.5-167.9-173.500111.9E79 T80 I81 S86 R87E79-E83 WeakPolarHBondContact O-CB 3.45Å; E79-E83 PolarHBondContact O-N 2.94Å; T80-E83 PolarHBondContact O-N 3.38Å; I81-E83 VanDerWaalsContact C-N 3.31Å; I81-E83 PolarHBondContact O-N 3.15Å; E83-S86 PolarHBondContact O-N 3.46Å; E83-R87 WeakPolarHBondContact O-CG 3.22Å; E83-R87 PolarHBondContact O-N 3.45Å; E83-R87 IonicContact OE1-CZ 3.84Å; E83-R87 IonicContact OE1-NH1 2.66Å; E83-R87 PolarHBondContact OE1-NH1 3.01Å; E83-R87 IonicContact OE1-NH2 2.93Å; E83-R87 PolarHBondContact OE1-NH2 3.48Å; E83-R87 IonicContact OE2-NH1 3.67Å; E83-R87 PolarHBondContact OE2-NH1 3.31Å
84V97.6Very high97.7Very high62 Ų6286 Ų8638%0.37647%0.471SS..Hα-helixtrans-62.4-48.1175.7172.70000110.9L73 T80 I81 S86 R87 A88L73-V84 HydrophobicContact CD2-CB 4.35Å; L73-V84 HydrophobicContact CD2-CG1 4.15Å; L73-V84 HydrophobicContact CD2-CG2 4.35Å; T80-V84 HydrophobicContact CG2-CG2 4.44Å; T80-V84 WeakPolarHBondContact O-CG2 3.49Å; T80-V84 PolarHBondContact O-N 3.21Å; I81-V84 PolarHBondContact O-N 3.43Å; V84-S86 PolarHBondContact O-N 2.87Å; V84-R87 PolarHBondContact O-N 3.2Å; V84-A88 WeakPolarHBondContact O-CB 3.32Å; V84-A88 PolarHBondContact O-N 2.91Å
85C97.6Very high97.7Very high52 Ų5283.7 Ų83.735%0.35145%0.45SS..Hα-helixtrans-60.1-44.1178.2-71.90000112I81 F82 R87 A88 M89I81-C85 WeakPolarHBondContact O-CB 3.04Å; I81-C85 PolarHBondContact O-N 2.87Å; I81-C85 PolarHBondContact O-SG 2.94Å; F82-C85 PolarHBondContact O-N 2.97Å; C85-R87 PolarHBondContact O-N 3.35Å; C85-A88 PolarHBondContact O-N 3.27Å; C85-M89 WeakPolarHBondContact O-CB 3.47Å; C85-M89 WeakPolarHBondContact O-CG 3.43Å; C85-M89 PolarHBondContact O-N 3.39Å
86S98.2Very high97.7Very high62 Ų6280.9 Ų80.943%0.43442%0.415SS..Hα-helixtrans-60.5-44.8178.4-178.60000112F82 E83 V84 M89 S90F82-S86 VanDerWaalsContact O-CB 3.24Å; F82-S86 WeakPolarHBondContact O-CB 3.33Å; F82-S86 PolarHBondContact O-N 3.27Å; E83-S86 PolarHBondContact O-N 3.46Å; V84-S86 PolarHBondContact O-N 2.87Å; S86-M89 PolarHBondContact O-N 3.41Å; S86-S90 WeakPolarHBondContact O-CB 3.46Å; S86-S90 PolarHBondContact O-N 2.93Å; S86-S90 PolarHBondContact O-OG 3.42Å
87R97.2Very high97.6Very high149 Ų14981.2 Ų81.256%0.56242%0.415SS*.Hα-helixtrans-65-43.4176.2-72.5-177.1177.5117.46.7112.4E83 V84 C85 S90 F91E83-R87 WeakPolarHBondContact O-CG 3.22Å; E83-R87 PolarHBondContact O-N 3.45Å; E83-R87 IonicContact OE1-CZ 3.84Å; E83-R87 IonicContact OE1-NH1 2.66Å; E83-R87 PolarHBondContact OE1-NH1 3.01Å; E83-R87 IonicContact OE1-NH2 2.93Å; E83-R87 PolarHBondContact OE1-NH2 3.48Å; E83-R87 IonicContact OE2-NH1 3.67Å; E83-R87 PolarHBondContact OE2-NH1 3.31Å; V84-R87 PolarHBondContact O-N 3.2Å; C85-R87 PolarHBondContact O-N 3.35Å; R87-S90 WeakPolarHBondContact O-CB 3.43Å; R87-S90 PolarHBondContact O-N 3.02Å; R87-F91 PolarHBondContact O-N 3.5Å
88A96.7Very high97.4Very high59 Ų5980.9 Ų80.949%0.48841%0.411SS..Hα-helixtrans-62.2-43.7177.200000112V84 C85 S90 F91 W92V84-A88 WeakPolarHBondContact O-CB 3.32Å; V84-A88 PolarHBondContact O-N 2.91Å; C85-A88 PolarHBondContact O-N 3.27Å; A88-S90 VanDerWaalsContact C-N 3.35Å; A88-S90 PolarHBondContact O-N 3.03Å; A88-F91 WeakPolarHBondContact O-CB 3.42Å; A88-F91 PolarHBondContact O-N 3.33Å; A88-W92 PolarHBondContact O-N 3.49Å
89M97.4Very high97.3Very high116 Ų11678.4 Ų78.457%0.57139%0.391SS*.Hα-helixtrans-64.4-38.8174.2-73.1-172.9-68.300112.2C85 S86 F91 W92 N93C85-M89 WeakPolarHBondContact O-CB 3.47Å; C85-M89 WeakPolarHBondContact O-CG 3.43Å; C85-M89 PolarHBondContact O-N 3.39Å; S86-M89 PolarHBondContact O-N 3.41Å; M89-F91 VanDerWaalsContact C-N 3.31Å; M89-F91 PolarHBondContact O-N 2.93Å; M89-W92 PolarHBondContact O-N 2.84Å; M89-N93 WeakPolarHBondContact O-CB 3.48Å; M89-N93 VanDerWaalsContact O-CG 3.27Å; M89-N93 PolarHBondContact O-N 2.94Å; M89-N93 PolarHBondContact O-ND2 3.45Å
90S97.8Very high97.1Very high68 Ų6876.4 Ų76.448%0.47638%0.38SS..Hα-helixtrans-61.6-40.8176.2-61.20000111.6S86 R87 A88 Y94S86-S90 WeakPolarHBondContact O-CB 3.46Å; S86-S90 PolarHBondContact O-N 2.93Å; S86-S90 PolarHBondContact O-OG 3.42Å; R87-S90 WeakPolarHBondContact O-CB 3.43Å; R87-S90 PolarHBondContact O-N 3.02Å; A88-S90 VanDerWaalsContact C-N 3.35Å; A88-S90 PolarHBondContact O-N 3.03Å; S90-Y94 WeakPolarHBondContact O-CB 3.47Å; S90-Y94 PolarHBondContact O-N 2.85Å
91F97.5Very high97Very high42 Ų4277.9 Ų77.918%0.18439%0.386CS..Hα-helixtrans-61.1-49.2173.1177.5-87.7000111.9V22 I28 R87 A88 M89 N93 Y94 Q95V22-F91 HydrophobicContact CG1-CD2 4.48Å; V22-F91 HydrophobicContact CG1-CE2 3.58Å; V22-F91 HydrophobicContact CG1-CZ 3.65Å; V22-F91 HydrophobicContact CG2-CZ 4.14Å; I28-F91 HydrophobicContact CB-CZ 4.05Å; I28-F91 HydrophobicContact CD1-CE1 4.48Å; R87-F91 PolarHBondContact O-N 3.5Å; A88-F91 WeakPolarHBondContact O-CB 3.42Å; A88-F91 PolarHBondContact O-N 3.33Å; M89-F91 VanDerWaalsContact C-N 3.31Å; M89-F91 PolarHBondContact O-N 2.93Å; F91-N93 PolarHBondContact O-N 3.5Å; F91-Y94 WeakPolarHBondContact O-CB 3.4Å; F91-Y94 PolarHBondContact O-N 2.89Å; F91-Q95 HydrophobicContact CD1-CG 4.24Å; F91-Q95 HydrophobicContact CE1-CG 3.87Å; F91-Q95 HydrophobicContact CZ-CG 4.11Å; F91-Q95 WeakPolarHBondContact O-CG 3.22Å; F91-Q95 PolarHBondContact O-N 3.11Å
92W97Very high96.8Very high102 Ų10279.5 Ų79.539%0.38639%0.389SS..Hα-helixtrans-57.8-49.7177.4178.1-87.4000111.6F3 L5 A88 M89 Y94 Q95 I96F3-W92 HydrophobicContact CB-CZ2 4.25Å; F3-W92 WeakPolarHBondContact O-CH2 3.41Å; F3-W92 VanDerWaalsContact O-CZ2 3.32Å; F3-W92 WeakPolarHBondContact O-CZ2 3.42Å; L5-W92 HydrophobicContact CD1-CE3 3.92Å; L5-W92 HydrophobicContact CD1-CZ3 3.73Å; L5-W92 HydrophobicContact CD2-CD2 4.38Å; L5-W92 HydrophobicContact CD2-CE3 3.83Å; L5-W92 HydrophobicContact CD2-CZ3 3.92Å; L5-W92 HydrophobicContact CG-CE3 3.91Å; L5-W92 HydrophobicContact CG-CH2 4.19Å; L5-W92 HydrophobicContact CG-CZ3 3.54Å; A88-W92 PolarHBondContact O-N 3.49Å; M89-W92 PolarHBondContact O-N 2.84Å; W92-Y94 VanDerWaalsContact C-N 3.31Å; W92-Y94 PolarHBondContact O-N 3.09Å; W92-Q95 WeakPolarHBondContact O-CB 3.47Å; W92-Q95 PolarHBondContact O-N 3.29Å; W92-Q95 VanDerWaalsContact O-N 3.13Å; W92-I96 HydrophobicContact CD2-CG1 4.49Å; W92-I96 HydrophobicContact CZ2-CD1 4.2Å; W92-I96 HydrophobicContact CZ2-CG1 4.38Å; W92-I96 WeakPolarHBondContact O-CG1 3.37Å; W92-I96 PolarHBondContact O-N 2.91Å
93N97.2Very high96.7Very high101 Ų10176.2 Ų76.254%0.5438%0.376SS..Hα-helixtrans-61.5-40.1179.7-72.3-25.2000112.1M89 F91 I96 F97M89-N93 WeakPolarHBondContact O-CB 3.48Å; M89-N93 VanDerWaalsContact O-CG 3.27Å; M89-N93 PolarHBondContact O-N 2.94Å; M89-N93 PolarHBondContact O-ND2 3.45Å; F91-N93 PolarHBondContact O-N 3.5Å; N93-I96 PolarHBondContact O-N 3.43Å; N93-F97 WeakPolarHBondContact O-CB 3.3Å; N93-F97 PolarHBondContact O-N 3.06Å
94Y97.2Very high96.7Very high83 Ų8376.8 Ų76.833%0.32538%0.379SS..Hα-helixtrans-58.8-48.3173.6174.2-99.8000111.1S26 S90 F91 W92 F97 Q98S26-Y94 WeakPolarHBondContact O-CE1 3.31Å; S90-Y94 WeakPolarHBondContact O-CB 3.47Å; S90-Y94 PolarHBondContact O-N 2.85Å; F91-Y94 WeakPolarHBondContact O-CB 3.4Å; F91-Y94 PolarHBondContact O-N 2.89Å; W92-Y94 VanDerWaalsContact C-N 3.31Å; W92-Y94 PolarHBondContact O-N 3.09Å; Y94-F97 PolarHBondContact O-N 3.01Å; Y94-Q98 HydrophobicContact CD1-CG 4.29Å; Y94-Q98 HydrophobicContact CD2-CG 4.28Å; Y94-Q98 HydrophobicContact CE1-CG 3.88Å; Y94-Q98 HydrophobicContact CE2-CG 3.87Å; Y94-Q98 HydrophobicContact CG-CG 4.48Å; Y94-Q98 WeakPolarHBondContact O-CG 3.37Å; Y94-Q98 PolarHBondContact O-N 3.07Å
95Q97.6Very high96.7Very high7 Ų781.4 Ų81.43%0.03339%0.389CS..Hα-helixtrans-61.2-46.7179.5-72.6-65.3-40.700112.5L5 N8 S26 I28 F91 W92 F97 Q98 E99L5-Q95 HydrophobicContact CD2-CB 3.49Å; L5-Q95 VanDerWaalsContact CD2-CB 3.49Å; L5-Q95 HydrophobicContact CD2-CG 4.02Å; N8-Q95 PolarHBondContact ND2-OE1 2.92Å; N8-Q95 PolarHBondContact OD1-NE2 3.21Å; N8-Q95 PolarHBondContact OD1-OE1 3.08Å; S26-Q95 PolarHBondContact O-NE2 3.41Å; I28-Q95 HydrophobicContact CG2-CG 4.43Å; F91-Q95 HydrophobicContact CD1-CG 4.24Å; F91-Q95 HydrophobicContact CE1-CG 3.87Å; F91-Q95 HydrophobicContact CZ-CG 4.11Å; F91-Q95 WeakPolarHBondContact O-CG 3.22Å; F91-Q95 PolarHBondContact O-N 3.11Å; W92-Q95 WeakPolarHBondContact O-CB 3.47Å; W92-Q95 PolarHBondContact O-N 3.29Å; W92-Q95 VanDerWaalsContact O-N 3.13Å; Q95-F97 VanDerWaalsContact C-N 3.32Å; Q95-F97 PolarHBondContact O-N 3.32Å; Q95-Q98 PolarHBondContact O-N 3.45Å; Q95-E99 WeakPolarHBondContact O-CB 3.4Å; Q95-E99 PolarHBondContact O-N 2.93Å
96I96.7Very high96.6Very high26 Ų2680.5 Ų80.513%0.13338%0.383CS..Hα-helixtrans-64.5-38.7177.5-62.5-44.9000111.7F3 L5 W92 N93 E99 K100F3-I96 HydrophobicContact CB-CD1 3.73Å; F3-I96 HydrophobicContact CB-CG1 4.14Å; F3-I96 HydrophobicContact CB-CG2 4.49Å; F3-I96 HydrophobicContact CD1-CD1 4.45Å; F3-I96 HydrophobicContact CD1-CG2 3.44Å; F3-I96 VanDerWaalsContact CD1-CG2 3.44Å; F3-I96 HydrophobicContact CE1-CG2 3.81Å; F3-I96 HydrophobicContact CG-CD1 4.47Å; F3-I96 HydrophobicContact CG-CG2 4.07Å; L5-I96 HydrophobicContact CD2-CD1 4.4Å; W92-I96 HydrophobicContact CD2-CG1 4.49Å; W92-I96 HydrophobicContact CZ2-CD1 4.2Å; W92-I96 HydrophobicContact CZ2-CG1 4.38Å; W92-I96 WeakPolarHBondContact O-CG1 3.37Å; W92-I96 PolarHBondContact O-N 2.91Å; N93-I96 PolarHBondContact O-N 3.43Å; I96-E99 PolarHBondContact O-N 3.41Å; I96-K100 WeakPolarHBondContact O-CB 3.31Å; I96-K100 PolarHBondContact O-N 3.15Å
97F95.9Very high96.6Very high107 Ų10780.2 Ų80.247%0.46938%0.38SS..Hα-helixtrans-66.7-44177.4-178.5-104.8000112.3N93 Y94 Q95 E99 K100 L101N93-F97 WeakPolarHBondContact O-CB 3.3Å; N93-F97 PolarHBondContact O-N 3.06Å; Y94-F97 PolarHBondContact O-N 3.01Å; Q95-F97 VanDerWaalsContact C-N 3.32Å; Q95-F97 PolarHBondContact O-N 3.32Å; F97-E99 VanDerWaalsContact C-N 3.33Å; F97-E99 PolarHBondContact O-N 3.29Å; F97-K100 WeakPolarHBondContact O-CB 3.47Å; F97-K100 PolarHBondContact O-N 3.33Å; F97-L101 HydrophobicContact CD1-CD1 4.01Å; F97-L101 HydrophobicContact CD1-CG 4.41Å; F97-L101 HydrophobicContact CE1-CD1 3.46Å; F97-L101 VanDerWaalsContact CE1-CD1 3.46Å; F97-L101 HydrophobicContact CE1-CD2 4.49Å; F97-L101 HydrophobicContact CE1-CG 4.02Å; F97-L101 HydrophobicContact CE2-CD2 4.48Å; F97-L101 HydrophobicContact CE2-CG 4.49Å; F97-L101 HydrophobicContact CZ-CD1 3.88Å; F97-L101 HydrophobicContact CZ-CD2 4.08Å; F97-L101 HydrophobicContact CZ-CG 4.05Å; F97-L101 WeakPolarHBondContact O-CG 3.44Å; F97-L101 PolarHBondContact O-N 3.01Å
98Q94.8Very high96.7Very high75 Ų7578.6 Ų78.635%0.3538%0.377SS..Hα-helixtrans-60-43.8174.7-70.7-55.7-44.900111.6Y94 Q95 K100 L101 Y102Y94-Q98 HydrophobicContact CD1-CG 4.29Å; Y94-Q98 HydrophobicContact CD2-CG 4.28Å; Y94-Q98 HydrophobicContact CE1-CG 3.88Å; Y94-Q98 HydrophobicContact CE2-CG 3.87Å; Y94-Q98 HydrophobicContact CG-CG 4.48Å; Y94-Q98 WeakPolarHBondContact O-CG 3.37Å; Y94-Q98 PolarHBondContact O-N 3.07Å; Q95-Q98 PolarHBondContact O-N 3.45Å; Q98-K100 VanDerWaalsContact C-N 3.34Å; Q98-K100 PolarHBondContact O-N 3.37Å; Q98-L101 PolarHBondContact O-N 3Å; Q98-Y102 PolarHBondContact O-N 3.15Å
99E95.2Very high96.7Very high39 Ų3980.1 Ų80.118%0.18237%0.373CS..Hα-helixtrans-61-43175.6174.954.9-158.600111.9R13 Q95 I96 F97 L101 Y102 Q103R13-E99 IonicContact CZ-OE1 3.21Å; R13-E99 IonicContact CZ-OE2 2.62Å; R13-E99 VanDerWaalsContact CZ-OE2 3.23Å; R13-E99 IonicContact NH1-OE1 3.94Å; R13-E99 IonicContact NH1-OE2 3.72Å; R13-E99 PolarHBondContact NH1-OE2 2.98Å; R13-E99 IonicContact NH2-OE1 2.86Å; R13-E99 PolarHBondContact NH2-OE1 3.35Å; R13-E99 IonicContact NH2-OE2 3.1Å; R13-E99 PolarHBondContact NH2-OE2 2.82Å; Q95-E99 WeakPolarHBondContact O-CB 3.4Å; Q95-E99 PolarHBondContact O-N 2.93Å; I96-E99 PolarHBondContact O-N 3.41Å; F97-E99 VanDerWaalsContact C-N 3.33Å; F97-E99 PolarHBondContact O-N 3.29Å; E99-L101 PolarHBondContact O-N 2.93Å; E99-Y102 WeakPolarHBondContact O-CB 3.27Å; E99-Y102 PolarHBondContact O-N 3.25Å; E99-Q103 WeakPolarHBondContact O-CG 3.37Å; E99-Q103 PolarHBondContact O-N 2.95Å; E99-Q103 VanDerWaalsContact OE1-CG 3.27Å; E99-Q103 WeakPolarHBondContact OE1-CG 3.49Å; E99-Q103 PolarHBondContact OE1-NE2 3.04Å
100K95.7Very high96.8Very high117 Ų11779.4 Ų79.451%0.50937%0.371SS..Hα-helixtrans-58.7-48.6175.6178.8-178.1170.9-177.20111.7I96 F97 Q98 Y102 Q103 E104I96-K100 WeakPolarHBondContact O-CB 3.31Å; I96-K100 PolarHBondContact O-N 3.15Å; F97-K100 WeakPolarHBondContact O-CB 3.47Å; F97-K100 PolarHBondContact O-N 3.33Å; Q98-K100 VanDerWaalsContact C-N 3.34Å; Q98-K100 PolarHBondContact O-N 3.37Å; K100-Y102 VanDerWaalsContact C-N 3.28Å; K100-Y102 PolarHBondContact O-N 3.48Å; K100-Q103 PolarHBondContact O-N 3.3Å; K100-E104 WeakPolarHBondContact CE-OE1 3.45Å; K100-E104 IonicContact NZ-OE1 2.81Å; K100-E104 WeakPolarHBondContact O-CG 3.21Å; K100-E104 PolarHBondContact O-N 3.19Å
101L95.7Very high96.8Very high70 Ų7083.7 Ų83.737%0.36638%0.377SS..Hα-helixtrans-59.6-40.7177.7-70.2-179.9000111.9F97 Q98 E99 E104 W105F97-L101 HydrophobicContact CD1-CD1 4.01Å; F97-L101 HydrophobicContact CD1-CG 4.41Å; F97-L101 HydrophobicContact CE1-CD1 3.46Å; F97-L101 VanDerWaalsContact CE1-CD1 3.46Å; F97-L101 HydrophobicContact CE1-CD2 4.49Å; F97-L101 HydrophobicContact CE1-CG 4.02Å; F97-L101 HydrophobicContact CE2-CD2 4.48Å; F97-L101 HydrophobicContact CE2-CG 4.49Å; F97-L101 HydrophobicContact CZ-CD1 3.88Å; F97-L101 HydrophobicContact CZ-CD2 4.08Å; F97-L101 HydrophobicContact CZ-CG 4.05Å; F97-L101 WeakPolarHBondContact O-CG 3.44Å; F97-L101 PolarHBondContact O-N 3.01Å; Q98-L101 PolarHBondContact O-N 3Å; E99-L101 PolarHBondContact O-N 2.93Å; L101-E104 PolarHBondContact O-N 3.44Å; L101-W105 PolarHBondContact O-N 2.89Å
102Y94.5Very high96.9Very high92 Ų9285.4 Ų85.436%0.36139%0.385SS..Hα-helixtrans-61.5-47.9175.1174.8-97.3000111.6Q98 E99 K100 E104 W105 V106Q98-Y102 PolarHBondContact O-N 3.15Å; E99-Y102 WeakPolarHBondContact O-CB 3.27Å; E99-Y102 PolarHBondContact O-N 3.25Å; K100-Y102 VanDerWaalsContact C-N 3.28Å; K100-Y102 PolarHBondContact O-N 3.48Å; Y102-E104 VanDerWaalsContact C-N 3.34Å; Y102-E104 PolarHBondContact O-N 2.87Å; Y102-W105 HydrophobicContact CD2-CE3 4.44Å; Y102-W105 HydrophobicContact CE2-CE3 4.28Å; Y102-W105 HydrophobicContact CE2-CZ3 4.26Å; Y102-W105 WeakPolarHBondContact O-CB 3.32Å; Y102-W105 PolarHBondContact O-N 2.9Å; Y102-V106 HydrophobicContact CD1-CG2 4.12Å; Y102-V106 HydrophobicContact CD2-CG2 4.48Å; Y102-V106 HydrophobicContact CE1-CG2 3.6Å; Y102-V106 HydrophobicContact CE2-CG2 4.02Å; Y102-V106 WeakPolarHBondContact O-CG2 3.44Å; Y102-V106 PolarHBondContact O-N 3.38Å
103Q95.2Very high96.9Very high86 Ų8685.6 Ų85.640%0.40239%0.391SS..Hα-helixtrans-63.7-38.2178.5-67.8-61.5-23.200112.6R13 E99 K100 W105 V106 S107R13-Q103 VanDerWaalsContact NH2-NE2 3.18Å; E99-Q103 WeakPolarHBondContact O-CG 3.37Å; E99-Q103 PolarHBondContact O-N 2.95Å; E99-Q103 VanDerWaalsContact OE1-CG 3.27Å; E99-Q103 WeakPolarHBondContact OE1-CG 3.49Å; E99-Q103 PolarHBondContact OE1-NE2 3.04Å; K100-Q103 PolarHBondContact O-N 3.3Å; Q103-W105 VanDerWaalsContact C-N 3.34Å; Q103-V106 PolarHBondContact O-N 3.44Å; Q103-S107 VanDerWaalsContact O-CB 3.27Å; Q103-S107 WeakPolarHBondContact O-CB 3.4Å; Q103-S107 PolarHBondContact O-N 3.01Å
104E97.3Very high97Very high97 Ų9783.6 Ų83.645%0.45339%0.388SS..Hα-helixtrans-61.4-42.9173.4-74.3174.9175.600111.5K100 L101 Y102 S107 K108K100-E104 WeakPolarHBondContact CE-OE1 3.45Å; K100-E104 IonicContact NZ-OE1 2.81Å; K100-E104 WeakPolarHBondContact O-CG 3.21Å; K100-E104 PolarHBondContact O-N 3.19Å; L101-E104 PolarHBondContact O-N 3.44Å; Y102-E104 VanDerWaalsContact C-N 3.34Å; Y102-E104 PolarHBondContact O-N 2.87Å; E104-S107 PolarHBondContact O-N 3.45Å; E104-K108 WeakPolarHBondContact O-CB 3.26Å; E104-K108 PolarHBondContact O-N 2.91Å
105W97.4Very high97Very high159 Ų15982 Ų8260%0.60239%0.392SS*.Hα-helixtrans-64.2-47175.2174.386.6000112.4L101 Y102 Q103 S107 K108 K109L101-W105 PolarHBondContact O-N 2.89Å; Y102-W105 HydrophobicContact CD2-CE3 4.44Å; Y102-W105 HydrophobicContact CE2-CE3 4.28Å; Y102-W105 HydrophobicContact CE2-CZ3 4.26Å; Y102-W105 WeakPolarHBondContact O-CB 3.32Å; Y102-W105 PolarHBondContact O-N 2.9Å; Q103-W105 VanDerWaalsContact C-N 3.34Å; W105-S107 VanDerWaalsContact C-N 3.33Å; W105-S107 PolarHBondContact O-N 3.42Å; W105-K108 WeakPolarHBondContact O-CB 3.47Å; W105-K108 PolarHBondContact O-N 3.42Å; W105-K109 PolarHBondContact O-N 3.05Å
106V96.8Very high97.1Very high34 Ų3485.8 Ų85.821%0.20641%0.411CS..Hα-helixtrans-58.1-47.3176171.40000110.3Y102 Q103 K108 K109 L110Y102-V106 HydrophobicContact CD1-CG2 4.12Å; Y102-V106 HydrophobicContact CD2-CG2 4.48Å; Y102-V106 HydrophobicContact CE1-CG2 3.6Å; Y102-V106 HydrophobicContact CE2-CG2 4.02Å; Y102-V106 WeakPolarHBondContact O-CG2 3.44Å; Y102-V106 PolarHBondContact O-N 3.38Å; Q103-V106 PolarHBondContact O-N 3.44Å; V106-K108 VanDerWaalsContact C-N 3.35Å; V106-K108 PolarHBondContact O-N 3.23Å; V106-K109 PolarHBondContact O-N 3.31Å; V106-K109 VanDerWaalsContact O-N 3.15Å; V106-L110 HydrophobicContact CG1-CD1 3.88Å; V106-L110 HydrophobicContact CG1-CG 4.32Å; V106-L110 WeakPolarHBondContact O-CG 3.47Å; V106-L110 PolarHBondContact O-N 3.32Å
107S98.2Very high97.1Very high55 Ų5586.9 Ų86.939%0.38542%0.421SS..Hα-helixtrans-59.1-43.8177.4172.70000112.2Q103 E104 W105 R111Q103-S107 VanDerWaalsContact O-CB 3.27Å; Q103-S107 WeakPolarHBondContact O-CB 3.4Å; Q103-S107 PolarHBondContact O-N 3.01Å; E104-S107 PolarHBondContact O-N 3.45Å; W105-S107 VanDerWaalsContact C-N 3.33Å; W105-S107 PolarHBondContact O-N 3.42Å; S107-R111 WeakPolarHBondContact O-CG 3.48Å; S107-R111 PolarHBondContact O-N 3.01Å; S107-R111 PolarHBondContact O-NE 3.39Å
108K98.4Very high97.2Very high115 Ų11587.5 Ų87.550%0.543%0.426SS..Hα-helixtrans-59.8-46.9174.5-176-174.8176.1-173.60110.9E104 W105 V106 L110 R111 E112E104-K108 WeakPolarHBondContact O-CB 3.26Å; E104-K108 PolarHBondContact O-N 2.91Å; W105-K108 WeakPolarHBondContact O-CB 3.47Å; W105-K108 PolarHBondContact O-N 3.42Å; V106-K108 VanDerWaalsContact C-N 3.35Å; V106-K108 PolarHBondContact O-N 3.23Å; K108-L110 PolarHBondContact O-N 3.48Å; K108-R111 PolarHBondContact O-N 2.88Å; K108-E112 WeakPolarHBondContact CE-OE1 3.37Å; K108-E112 WeakPolarHBondContact O-CG 3.41Å; K108-E112 PolarHBondContact O-N 3.26Å
109K98.1Very high97.4Very high91 Ų9191.2 Ų91.240%0.39644%0.436SS..Hα-helixtrans-64.5-41.4-177.9-170.561.5-178.5174.50112.6W105 V106 E112 Q113W105-K109 PolarHBondContact O-N 3.05Å; V106-K109 PolarHBondContact O-N 3.31Å; V106-K109 VanDerWaalsContact O-N 3.15Å; K109-E112 IonicContact NZ-OE2 3.54Å; K109-E112 PolarHBondContact O-N 2.74Å; K109-Q113 WeakPolarHBondContact O-CG 3.48Å; K109-Q113 PolarHBondContact O-N 3.24Å
110L98.4Very high97.5Very high101 Ų10197.6 Ų97.653%0.52946%0.459SS..Hα-helixtrans-63.1-41175.2-73.7173.9000111.7V106 K108 Q113 A114V106-L110 HydrophobicContact CG1-CD1 3.88Å; V106-L110 HydrophobicContact CG1-CG 4.32Å; V106-L110 WeakPolarHBondContact O-CG 3.47Å; V106-L110 PolarHBondContact O-N 3.32Å; K108-L110 PolarHBondContact O-N 3.48Å; L110-Q113 PolarHBondContact O-N 3.21Å; L110-A114 WeakPolarHBondContact O-CB 3.07Å; L110-A114 PolarHBondContact O-N 3.47Å
111R98.4Very high97.6Very high158 Ų15899.4 Ų99.460%0.59646%0.463SS*.Hα-helixtrans-63.2-42.8175-76.8-178.1-75.5145.5-7.1112.6S107 K108 A114 A115S107-R111 WeakPolarHBondContact O-CG 3.48Å; S107-R111 PolarHBondContact O-N 3.01Å; S107-R111 PolarHBondContact O-NE 3.39Å; K108-R111 PolarHBondContact O-N 2.88Å; R111-A114 PolarHBondContact O-N 2.93Å; R111-A115 WeakPolarHBondContact O-CB 3.47Å; R111-A115 PolarHBondContact O-N 2.93Å
112E98.3Very high97.8Very high78 Ų78101.4 Ų101.436%0.36447%0.471SS..Hα-helixtrans-60.2-44.6174.4-71.5170.9-17400111.7K108 K109 A115 I116K108-E112 WeakPolarHBondContact CE-OE1 3.37Å; K108-E112 WeakPolarHBondContact O-CG 3.41Å; K108-E112 PolarHBondContact O-N 3.26Å; K109-E112 IonicContact NZ-OE2 3.54Å; K109-E112 PolarHBondContact O-N 2.74Å; E112-A115 PolarHBondContact O-N 3.46Å; E112-I116 VanDerWaalsContact O-CG1 3.32Å; E112-I116 WeakPolarHBondContact O-CG1 3.41Å; E112-I116 PolarHBondContact O-N 3Å
113Q98.3Very high97.9Very high107 Ų107102.6 Ų102.650%0.548%0.48SS..Hα-helixtrans-64.8-42.1177.3-74.1177.2-12.800112.3K109 L110 I116 S117K109-Q113 WeakPolarHBondContact O-CG 3.48Å; K109-Q113 PolarHBondContact O-N 3.24Å; L110-Q113 PolarHBondContact O-N 3.21Å; Q113-I116 PolarHBondContact O-N 3.07Å; Q113-S117 WeakPolarHBondContact O-CB 3.41Å; Q113-S117 PolarHBondContact O-N 2.87Å
114A98.4Very high98.1Very high59 Ų59102.7 Ų102.749%0.48848%0.483SS..Hα-helixtrans-59.9-47.2175.900000111.3L110 R111 I116 S117 E118L110-A114 WeakPolarHBondContact O-CB 3.07Å; L110-A114 PolarHBondContact O-N 3.47Å; R111-A114 PolarHBondContact O-N 2.93Å; A114-I116 PolarHBondContact O-N 3.45Å; A114-S117 WeakPolarHBondContact O-CB 3.48Å; A114-S117 PolarHBondContact O-N 3.43Å; A114-S117 VanDerWaalsContact O-N 3.15Å; A114-E118 WeakPolarHBondContact O-CB 3.37Å; A114-E118 PolarHBondContact O-N 3.49Å
115A98.3Very high98.1Very high48 Ų48101.6 Ų101.640%0.39748%0.483SS..Hα-helixtrans-62.9-3817800000113R111 E112 R119R111-A115 WeakPolarHBondContact O-CB 3.47Å; R111-A115 PolarHBondContact O-N 2.93Å; E112-A115 PolarHBondContact O-N 3.46Å; A115-R119 PolarHBondContact O-N 3.17Å; A115-R119 VanDerWaalsContact O-N 3.09Å
116I98.1Very high98.2Very high87 Ų8798.3 Ų98.345%0.44648%0.48SS..Hα-helixtrans-65.4-43.2173.7-68.6165.9000110.6E112 Q113 A114 R120E112-I116 VanDerWaalsContact O-CG1 3.32Å; E112-I116 WeakPolarHBondContact O-CG1 3.41Å; E112-I116 PolarHBondContact O-N 3Å; Q113-I116 PolarHBondContact O-N 3.07Å; A114-I116 PolarHBondContact O-N 3.45Å; I116-R120 WeakPolarHBondContact O-CG 2.97Å; I116-R120 PolarHBondContact O-N 2.85Å; I116-R120 VanDerWaalsContact O-N 3.11Å
117S98Very high98.2Very high49 Ų49102.8 Ų102.834%0.34350%0.497SS..Hα-helixtrans-64.3-43.4178.4-168.10000111.6Q113 A114 R120 Y121Q113-S117 WeakPolarHBondContact O-CB 3.41Å; Q113-S117 PolarHBondContact O-N 2.87Å; A114-S117 WeakPolarHBondContact O-CB 3.48Å; A114-S117 PolarHBondContact O-N 3.43Å; A114-S117 VanDerWaalsContact O-N 3.15Å; S117-R120 PolarHBondContact O-N 3.47Å; S117-Y121 WeakPolarHBondContact O-CD2 3.47Å; S117-Y121 PolarHBondContact O-N 2.82Å; S117-Y121 VanDerWaalsContact OG-CE2 3.26Å; S117-Y121 WeakPolarHBondContact OG-CE2 3.45Å
118E98.3Very high98.3Very high120 Ų120104 Ų10456%0.56150%0.498SS*.Hα-helixtrans-58.4-50.3177.4-174.7170-148.900110.9A114 R120 Y121 E122A114-E118 WeakPolarHBondContact O-CB 3.37Å; A114-E118 PolarHBondContact O-N 3.49Å; E118-R120 VanDerWaalsContact C-N 3.33Å; E118-R120 PolarHBondContact O-N 3.43Å; E118-Y121 WeakPolarHBondContact O-CB 3.47Å; E118-Y121 PolarHBondContact O-N 2.96Å; E118-E122 WeakPolarHBondContact O-CG 3.38Å; E118-E122 PolarHBondContact O-N 3.14Å
119R98.2Very high98.2Very high154 Ų154104.2 Ų104.258%0.58150%0.501SS*.Hα-helixtrans-57.1-43.5175.8-172.6-176.8-61.5161.31.7112.8A115 Y121 E122 E123A115-R119 PolarHBondContact O-N 3.17Å; A115-R119 VanDerWaalsContact O-N 3.09Å; R119-Y121 VanDerWaalsContact C-N 3.3Å; R119-Y121 PolarHBondContact O-N 3.42Å; R119-E122 PolarHBondContact O-N 3.23Å; R119-E123 WeakPolarHBondContact O-CB 3.36Å; R119-E123 VanDerWaalsContact O-CG 3.31Å; R119-E123 WeakPolarHBondContact O-CG 3.2Å; R119-E123 PolarHBondContact O-N 3.49Å
120R98.2Very high98.2Very high173 Ų173103.6 Ų103.665%0.65351%0.507SS*.Hα-helixtrans-62.6-38.2177.3-74.5175.9178.7-176.70112I116 S117 E118 L124I116-R120 WeakPolarHBondContact O-CG 2.97Å; I116-R120 PolarHBondContact O-N 2.85Å; I116-R120 VanDerWaalsContact O-N 3.11Å; S117-R120 PolarHBondContact O-N 3.47Å; E118-R120 VanDerWaalsContact C-N 3.33Å; E118-R120 PolarHBondContact O-N 3.43Å; R120-L124 WeakPolarHBondContact O-CB 3.27Å; R120-L124 PolarHBondContact O-N 2.99Å
121Y97.9Very high98.2Very high154 Ų154103.2 Ų103.260%0.60450%0.503SS*.Hα-helixtrans-68.4-42.2175.4-76.8-60000111.7S117 E118 R119 E123 L124 V125S117-Y121 WeakPolarHBondContact O-CD2 3.47Å; S117-Y121 PolarHBondContact O-N 2.82Å; S117-Y121 VanDerWaalsContact OG-CE2 3.26Å; S117-Y121 WeakPolarHBondContact OG-CE2 3.45Å; E118-Y121 WeakPolarHBondContact O-CB 3.47Å; E118-Y121 PolarHBondContact O-N 2.96Å; R119-Y121 VanDerWaalsContact C-N 3.3Å; R119-Y121 PolarHBondContact O-N 3.42Å; Y121-E123 PolarHBondContact O-N 3.18Å; Y121-L124 PolarHBondContact O-N 3.2Å; Y121-V125 WeakPolarHBondContact O-CB 3.28Å; Y121-V125 VanDerWaalsContact O-CG2 3.27Å; Y121-V125 WeakPolarHBondContact O-CG2 3.42Å; Y121-V125 PolarHBondContact O-N 3.3Å
122E98.3Very high98.2Very high113 Ų113100.2 Ų100.253%0.52850%0.498SS..Hα-helixtrans-61.3-43.2175.5-69.8175.5158.500112.4E118 R119 V125 T126E118-E122 WeakPolarHBondContact O-CG 3.38Å; E118-E122 PolarHBondContact O-N 3.14Å; R119-E122 PolarHBondContact O-N 3.23Å; E122-V125 PolarHBondContact O-N 2.94Å; E122-T126 WeakPolarHBondContact O-CB 3.34Å; E122-T126 PolarHBondContact O-N 3.38Å; E122-T126 PolarHBondContact O-OG1 3.39Å
123E98.1Very high98.2Very high117 Ų117102.8 Ų102.855%0.54751%0.508SS..Hα-helixtrans-61-45.2174.3-74.5170.4-172.600111.3R119 Y121 T126 K127R119-E123 WeakPolarHBondContact O-CB 3.36Å; R119-E123 VanDerWaalsContact O-CG 3.31Å; R119-E123 WeakPolarHBondContact O-CG 3.2Å; R119-E123 PolarHBondContact O-N 3.49Å; Y121-E123 PolarHBondContact O-N 3.18Å; E123-T126 PolarHBondContact O-N 3.48Å; E123-K127 WeakPolarHBondContact O-CB 3.27Å; E123-K127 PolarHBondContact O-N 3.49Å
124L98.3Very high98.2Very high88 Ų88100.2 Ų100.246%0.46150%0.5SS..Hα-helixtrans-64.6-44.8177.8179.760.9000112R120 Y121 T126 K127 L128R120-L124 WeakPolarHBondContact O-CB 3.27Å; R120-L124 PolarHBondContact O-N 2.99Å; Y121-L124 PolarHBondContact O-N 3.2Å; L124-T126 VanDerWaalsContact C-N 3.33Å; L124-T126 PolarHBondContact O-N 2.66Å; L124-K127 PolarHBondContact O-N 2.93Å; L124-L128 HydrophobicContact CD1-CD1 4.22Å; L124-L128 HydrophobicContact CD1-CG 4.23Å; L124-L128 HydrophobicContact CG-CD1 4.09Å; L124-L128 WeakPolarHBondContact O-CB 3.49Å; L124-L128 VanDerWaalsContact O-CG 3.31Å; L124-L128 WeakPolarHBondContact O-CG 3.39Å; L124-L128 PolarHBondContact O-N 2.66Å
125V98.4Very high98.2Very high74 Ų74103.3 Ų103.345%0.44851%0.505SS..Hα-helixtrans-60.2-45.7177167.70000110.2Y121 E122 K127 L128 Q129Y121-V125 WeakPolarHBondContact O-CB 3.28Å; Y121-V125 VanDerWaalsContact O-CG2 3.27Å; Y121-V125 WeakPolarHBondContact O-CG2 3.42Å; Y121-V125 PolarHBondContact O-N 3.3Å; E122-V125 PolarHBondContact O-N 2.94Å; V125-K127 PolarHBondContact O-N 2.9Å; V125-L128 PolarHBondContact O-N 2.91Å; V125-Q129 HydrophobicContact CG1-CG 4.45Å; V125-Q129 WeakPolarHBondContact O-CB 3.21Å; V125-Q129 VanDerWaalsContact O-CG 3.3Å; V125-Q129 WeakPolarHBondContact O-CG 3.47Å; V125-Q129 PolarHBondContact O-N 3.5Å
126T98.3Very high98.2Very high89 Ų89107.8 Ų107.855%0.54652%0.516SS..Hα-helixtrans-62.4-43.5178.1-59.80000111.6E122 E123 L124 Q129 C130E122-T126 WeakPolarHBondContact O-CB 3.34Å; E122-T126 PolarHBondContact O-N 3.38Å; E122-T126 PolarHBondContact O-OG1 3.39Å; E123-T126 PolarHBondContact O-N 3.48Å; L124-T126 VanDerWaalsContact C-N 3.33Å; L124-T126 PolarHBondContact O-N 2.66Å; T126-Q129 PolarHBondContact O-N 3.46Å; T126-C130 PolarHBondContact O-N 3.01Å
127K98.3Very high98.2Very high128 Ų128108.3 Ų108.356%0.55752%0.516SS*.Hα-helixtrans-60-48.4175.5-178.8179.3173.1-176.80111.5E123 L124 V125 Q129 C130 E131E123-K127 WeakPolarHBondContact O-CB 3.27Å; E123-K127 PolarHBondContact O-N 3.49Å; L124-K127 PolarHBondContact O-N 2.93Å; V125-K127 PolarHBondContact O-N 2.9Å; K127-Q129 VanDerWaalsContact C-N 3.34Å; K127-Q129 PolarHBondContact O-N 3.44Å; K127-C130 WeakPolarHBondContact O-CB 3.47Å; K127-C130 PolarHBondContact O-N 3.28Å; K127-E131 WeakPolarHBondContact CE-OE1 3.31Å; K127-E131 WeakPolarHBondContact O-CG 3.24Å; K127-E131 PolarHBondContact O-N 2.71Å
128L98.3Very high98.2Very high80 Ų80112.3 Ų112.342%0.41953%0.527SS..Hα-helixtrans-63.3-38.4178.2-70.9173.2000112L124 V125 C130 E131 I132L124-L128 HydrophobicContact CD1-CD1 4.22Å; L124-L128 HydrophobicContact CD1-CG 4.23Å; L124-L128 HydrophobicContact CG-CD1 4.09Å; L124-L128 WeakPolarHBondContact O-CB 3.49Å; L124-L128 VanDerWaalsContact O-CG 3.31Å; L124-L128 WeakPolarHBondContact O-CG 3.39Å; L124-L128 PolarHBondContact O-N 2.66Å; V125-L128 PolarHBondContact O-N 2.91Å; L128-C130 VanDerWaalsContact C-N 3.35Å; L128-C130 PolarHBondContact O-N 2.95Å; L128-E131 PolarHBondContact O-N 3.06Å; L128-I132 WeakPolarHBondContact O-CB 3.49Å; L128-I132 VanDerWaalsContact O-CG1 3.22Å; L128-I132 WeakPolarHBondContact O-CG1 3.34Å; L128-I132 PolarHBondContact O-N 3.34Å
129Q98.2Very high98.2Very high121 Ų121112 Ų11257%0.56553%0.529SS*.Hα-helixtrans-62.6-40.7174.3-75.6174.5-12.300112.1V125 T126 K127 K133V125-Q129 HydrophobicContact CG1-CG 4.45Å; V125-Q129 WeakPolarHBondContact O-CB 3.21Å; V125-Q129 VanDerWaalsContact O-CG 3.3Å; V125-Q129 WeakPolarHBondContact O-CG 3.47Å; V125-Q129 PolarHBondContact O-N 3.5Å; T126-Q129 PolarHBondContact O-N 3.46Å; K127-Q129 VanDerWaalsContact C-N 3.34Å; K127-Q129 PolarHBondContact O-N 3.44Å; Q129-K133 WeakPolarHBondContact O-CB 3.43Å; Q129-K133 PolarHBondContact O-N 3.13Å
130C98Very high98.2Very high77 Ų77107 Ų10752%0.5252%0.521SS..Hα-helixtrans-64.2-46.7174.6-170.10000111.6T126 K127 L128 I132 K133 T134T126-C130 PolarHBondContact O-N 3.01Å; K127-C130 WeakPolarHBondContact O-CB 3.47Å; K127-C130 PolarHBondContact O-N 3.28Å; L128-C130 VanDerWaalsContact C-N 3.35Å; L128-C130 PolarHBondContact O-N 2.95Å; C130-I132 PolarHBondContact O-N 3Å; C130-K133 WeakPolarHBondContact O-CB 3.48Å; C130-K133 PolarHBondContact O-N 3.19Å; C130-K133 VanDerWaalsContact O-N 3.15Å; C130-T134 PolarHBondContact O-N 3.39Å; C130-T134 PolarHBondContact O-OG1 3.14Å
131E98.1Very high98.2Very high93 Ų93102 Ų10244%0.43551%0.512SS..Hα-helixtrans-60.4-44.7176.5-72.7176.8-171.100111.8K127 L128 K133 T134 M135K127-E131 WeakPolarHBondContact CE-OE1 3.31Å; K127-E131 WeakPolarHBondContact O-CG 3.24Å; K127-E131 PolarHBondContact O-N 2.71Å; L128-E131 PolarHBondContact O-N 3.06Å; E131-K133 VanDerWaalsContact C-N 3.31Å; E131-K133 PolarHBondContact O-N 2.88Å; E131-T134 PolarHBondContact O-N 2.72Å; E131-M135 WeakPolarHBondContact O-CB 3.46Å; E131-M135 VanDerWaalsContact O-CG 3.22Å; E131-M135 WeakPolarHBondContact O-CG 3.41Å; E131-M135 PolarHBondContact O-N 3.48Å
132I98.4Very high98.2Very high95 Ų9597.1 Ų97.149%0.48750%0.503SS..Hα-helixtrans-58.6-43.8174.7-72.6167000110.7L128 C130 M135 K136L128-I132 WeakPolarHBondContact O-CB 3.49Å; L128-I132 VanDerWaalsContact O-CG1 3.22Å; L128-I132 WeakPolarHBondContact O-CG1 3.34Å; L128-I132 PolarHBondContact O-N 3.34Å; C130-I132 PolarHBondContact O-N 3Å; I132-M135 PolarHBondContact O-N 3.22Å; I132-K136 HydrophobicContact CG2-CD 4.15Å; I132-K136 HydrophobicContact CG2-CG 4.5Å; I132-K136 WeakPolarHBondContact O-CB 3.35Å; I132-K136 VanDerWaalsContact O-CG 3.32Å; I132-K136 WeakPolarHBondContact O-CG 3.37Å; I132-K136 PolarHBondContact O-N 2.88Å
133K98.2Very high98.1Very high132 Ų13294.6 Ų94.657%0.57450%0.497SS*.Hα-helixtrans-61.6-50.6177.9-174.6-174.4175-169.40111.2Q129 C130 E131 M135 K136 E137Q129-K133 WeakPolarHBondContact O-CB 3.43Å; Q129-K133 PolarHBondContact O-N 3.13Å; C130-K133 WeakPolarHBondContact O-CB 3.48Å; C130-K133 PolarHBondContact O-N 3.19Å; C130-K133 VanDerWaalsContact O-N 3.15Å; E131-K133 VanDerWaalsContact C-N 3.31Å; E131-K133 PolarHBondContact O-N 2.88Å; K133-M135 VanDerWaalsContact C-N 3.32Å; K133-M135 PolarHBondContact O-N 2.67Å; K133-K136 WeakPolarHBondContact O-CB 3.44Å; K133-K136 PolarHBondContact O-N 2.9Å; K133-E137 WeakPolarHBondContact CE-OE1 3.16Å; K133-E137 WeakPolarHBondContact O-CG 3.34Å; K133-E137 PolarHBondContact O-N 3.09Å
134T98.2Very high98.1Very high54 Ų5495.4 Ų95.433%0.33150%0.501SS..Hα-helixtrans-60.4-40177.7-61.60000112.2C130 E131 E137 K138C130-T134 PolarHBondContact O-N 3.39Å; C130-T134 PolarHBondContact O-OG1 3.14Å; E131-T134 PolarHBondContact O-N 2.72Å; T134-E137 PolarHBondContact O-N 3.03Å; T134-K138 HydrophobicContact CG2-CD 4.38Å; T134-K138 WeakPolarHBondContact O-CG 3.29Å; T134-K138 PolarHBondContact O-N 3.13Å
135M97.9Very high98.1Very high123 Ų12397.8 Ų97.861%0.60651%0.51SS*.Hα-helixtrans-68.8-36.4177.8-68.1-61.6-102.700112.1E131 I132 K133 K138 L139E131-M135 WeakPolarHBondContact O-CB 3.46Å; E131-M135 VanDerWaalsContact O-CG 3.22Å; E131-M135 WeakPolarHBondContact O-CG 3.41Å; E131-M135 PolarHBondContact O-N 3.48Å; I132-M135 PolarHBondContact O-N 3.22Å; K133-M135 VanDerWaalsContact C-N 3.32Å; K133-M135 PolarHBondContact O-N 2.67Å; M135-K138 HydrophobicContact SD-CD 4.36Å; M135-L139 WeakPolarHBondContact O-CB 3.16Å; M135-L139 PolarHBondContact O-N 3.12Å
136K98.3Very high98.1Very high143 Ų14399.4 Ų99.462%0.62252%0.515SS*.Hα-helixtrans-63.7-42.5172.2-76.4178.6177-176.10112.1I132 K133 L139 A140I132-K136 HydrophobicContact CG2-CD 4.15Å; I132-K136 HydrophobicContact CG2-CG 4.5Å; I132-K136 WeakPolarHBondContact O-CB 3.35Å; I132-K136 VanDerWaalsContact O-CG 3.32Å; I132-K136 WeakPolarHBondContact O-CG 3.37Å; I132-K136 PolarHBondContact O-N 2.88Å; K133-K136 WeakPolarHBondContact O-CB 3.44Å; K133-K136 PolarHBondContact O-N 2.9Å; K136-L139 PolarHBondContact O-N 3.36Å; K136-A140 PolarHBondContact O-N 2.99Å
137E98.1Very high98.1Very high98 Ų9899.6 Ų99.646%0.45851%0.513SS..Hα-helixtrans-62.2-47.3175.9-72166.9177.600111.4K133 T134 L139 A140 C141K133-E137 WeakPolarHBondContact CE-OE1 3.16Å; K133-E137 WeakPolarHBondContact O-CG 3.34Å; K133-E137 PolarHBondContact O-N 3.09Å; T134-E137 PolarHBondContact O-N 3.03Å; E137-L139 VanDerWaalsContact C-N 3.34Å; E137-L139 PolarHBondContact O-N 2.81Å; E137-A140 WeakPolarHBondContact O-CB 3.22Å; E137-A140 PolarHBondContact O-N 2.89Å; E137-C141 PolarHBondContact O-N 3.19Å; E137-C141 PolarHBondContact O-SG 3.24Å
138K98.2Very high98Very high132 Ų13295.5 Ų95.557%0.57450%0.503SS*.Hα-helixtrans-60.3-41.5175.3-73.3178.1179.7179.80112.7T134 M135 A140 C141 A142T134-K138 HydrophobicContact CG2-CD 4.38Å; T134-K138 WeakPolarHBondContact O-CG 3.29Å; T134-K138 PolarHBondContact O-N 3.13Å; M135-K138 HydrophobicContact SD-CD 4.36Å; K138-A140 VanDerWaalsContact C-N 3.34Å; K138-C141 PolarHBondContact O-N 2.96Å; K138-A142 WeakPolarHBondContact O-CB 3.22Å; K138-A142 PolarHBondContact O-N 2.71Å
139L98.1Very high98Very high113 Ų11395.9 Ų95.959%0.59251%0.509SS*.Hα-helixtrans-63.3-41.4176.7-177.463.9000111.2M135 K136 E137 A142 C143M135-L139 WeakPolarHBondContact O-CB 3.16Å; M135-L139 PolarHBondContact O-N 3.12Å; K136-L139 PolarHBondContact O-N 3.36Å; E137-L139 VanDerWaalsContact C-N 3.34Å; E137-L139 PolarHBondContact O-N 2.81Å; L139-A142 PolarHBondContact O-N 2.9Å; L139-C143 WeakPolarHBondContact O-CB 3.41Å; L139-C143 PolarHBondContact O-N 3.07Å; L139-C143 PolarHBondContact O-SG 3.49Å
140A98.1Very high98Very high50 Ų5093.1 Ų93.141%0.41350%0.5SS..Hα-helixtrans-61.9-48.6175.900000111.9K136 E137 K138 A142 C143 E144K136-A140 PolarHBondContact O-N 2.99Å; E137-A140 WeakPolarHBondContact O-CB 3.22Å; E137-A140 PolarHBondContact O-N 2.89Å; K138-A140 VanDerWaalsContact C-N 3.34Å; A140-A142 PolarHBondContact O-N 2.9Å; A140-C143 WeakPolarHBondContact O-CB 3.44Å; A140-C143 PolarHBondContact O-N 2.8Å; A140-E144 PolarHBondContact O-N 2.85Å
141C97.8Very high98Very high68 Ų6898.3 Ų98.346%0.45951%0.508SS..Hα-helixtrans-60-44.5176.1-65.30000112.3E137 K138 C143 E144 E145E137-C141 PolarHBondContact O-N 3.19Å; E137-C141 PolarHBondContact O-SG 3.24Å; K138-C141 PolarHBondContact O-N 2.96Å; C141-C143 VanDerWaalsContact C-N 3.32Å; C141-C143 PolarHBondContact O-N 3.32Å; C141-E144 WeakPolarHBondContact O-CB 3.5Å; C141-E144 PolarHBondContact O-N 2.94Å; C141-E144 VanDerWaalsContact O-N 3.17Å; C141-E145 WeakPolarHBondContact O-CG 3.4Å; C141-E145 PolarHBondContact O-N 3.31Å
142A98Very high97.9Very high51 Ų51103 Ų10342%0.42152%0.522SS..Hα-helixtrans-62.9-37.5177.700000112.4K138 L139 A140 L146K138-A142 WeakPolarHBondContact O-CB 3.22Å; K138-A142 PolarHBondContact O-N 2.71Å; L139-A142 PolarHBondContact O-N 2.9Å; A140-A142 PolarHBondContact O-N 2.9Å; A142-L146 VanDerWaalsContact O-CB 3.32Å; A142-L146 WeakPolarHBondContact O-CB 3.39Å; A142-L146 PolarHBondContact O-N 2.99Å
143C97.9Very high97.9Very high61 Ų61106.5 Ų106.541%0.41253%0.531SS..Hα-helixtrans-64.5-40.8173.1-74.90000112.1L139 A140 C141 N147L139-C143 WeakPolarHBondContact O-CB 3.41Å; L139-C143 PolarHBondContact O-N 3.07Å; L139-C143 PolarHBondContact O-SG 3.49Å; A140-C143 WeakPolarHBondContact O-CB 3.44Å; A140-C143 PolarHBondContact O-N 2.8Å; C141-C143 VanDerWaalsContact C-N 3.32Å; C141-C143 PolarHBondContact O-N 3.32Å; C143-N147 WeakPolarHBondContact O-CB 3.3Å; C143-N147 PolarHBondContact O-N 3.28Å; C143-N147 PolarHBondContact O-ND2 3.06Å; C143-N147 VanDerWaalsContact O-ND2 3.1Å
144E97.9Very high97.9Very high134 Ų134105.3 Ų105.363%0.62653%0.527SS*.Hα-helixtrans-64.3-44.7175.4-72.2176-177.300112.1A140 C141 N147 A148A140-E144 PolarHBondContact O-N 2.85Å; C141-E144 WeakPolarHBondContact O-CB 3.5Å; C141-E144 PolarHBondContact O-N 2.94Å; C141-E144 VanDerWaalsContact O-N 3.17Å; E144-N147 PolarHBondContact O-N 3.47Å; E144-A148 PolarHBondContact O-N 3.3Å
145E97.8Very high97.8Very high137 Ų137105.8 Ų105.864%0.6453%0.532SS*.Hα-helixtrans-61.5-45.4175.4-73.1177.4-176.200111.8C141 N147 A148 V149C141-E145 WeakPolarHBondContact O-CG 3.4Å; C141-E145 PolarHBondContact O-N 3.31Å; E145-N147 PolarHBondContact O-N 3.32Å; E145-A148 PolarHBondContact O-N 3.45Å; E145-V149 WeakPolarHBondContact O-CG2 3.5Å; E145-V149 PolarHBondContact O-N 3.3Å
146L97.7Very high97.8Very high108 Ų108105.4 Ų105.457%0.56553%0.532SS*.Hα-helixtrans-58.8-47.7175.7179.362.5000111A142 A148 V149 V150A142-L146 VanDerWaalsContact O-CB 3.32Å; A142-L146 WeakPolarHBondContact O-CB 3.39Å; A142-L146 PolarHBondContact O-N 2.99Å; L146-A148 VanDerWaalsContact C-N 3.29Å; L146-A148 PolarHBondContact O-N 3.41Å; L146-V149 PolarHBondContact O-N 2.88Å; L146-V150 HydrophobicContact CD1-CG2 4.34Å; L146-V150 WeakPolarHBondContact O-CG2 3.33Å; L146-V150 PolarHBondContact O-N 2.73Å
147N97.7Very high97.7Very high94 Ų94100.1 Ų100.150%0.50352%0.515SS..Hα-helixtrans-60.2-39.1177.1-74.5-30.7000112C143 E144 E145 R151C143-N147 WeakPolarHBondContact O-CB 3.3Å; C143-N147 PolarHBondContact O-N 3.28Å; C143-N147 PolarHBondContact O-ND2 3.06Å; C143-N147 VanDerWaalsContact O-ND2 3.1Å; E144-N147 PolarHBondContact O-N 3.47Å; E145-N147 PolarHBondContact O-N 3.32Å; N147-R151 VanDerWaalsContact O-CG 3.32Å; N147-R151 WeakPolarHBondContact O-CG 3.45Å; N147-R151 PolarHBondContact O-N 3.41Å; N147-R151 VanDerWaalsContact O-N 3.07Å
148A97.6Very high97.7Very high41 Ų41101.2 Ų101.234%0.33952%0.52SS..Hα-helixtrans-66.9-39.7176.100000112.4E144 E145 L146 R152E144-A148 PolarHBondContact O-N 3.3Å; E145-A148 PolarHBondContact O-N 3.45Å; L146-A148 VanDerWaalsContact C-N 3.29Å; L146-A148 PolarHBondContact O-N 3.41Å; A148-R152 WeakPolarHBondContact O-CG 3.42Å; A148-R152 PolarHBondContact O-N 2.8Å
149V97.5Very high97.6Very high89 Ų89102.9 Ų102.954%0.53952%0.522SS..Hα-helixtrans-66.3-45176171.40000111.1E145 L146 R151 R152 Y153E145-V149 WeakPolarHBondContact O-CG2 3.5Å; E145-V149 PolarHBondContact O-N 3.3Å; L146-V149 PolarHBondContact O-N 2.88Å; V149-R151 PolarHBondContact O-N 2.91Å; V149-R152 PolarHBondContact O-N 3.45Å; V149-Y153 WeakPolarHBondContact O-CB 3.49Å; V149-Y153 PolarHBondContact O-N 3.03Å
150V97.9Very high97.5Very high63 Ų63104.8 Ų104.838%0.38252%0.523SS..Hα-helixtrans-57.1-48.8175.8171.80000110.5L146 R152 Y153 E154L146-V150 HydrophobicContact CD1-CG2 4.34Å; L146-V150 WeakPolarHBondContact O-CG2 3.33Å; L146-V150 PolarHBondContact O-N 2.73Å; V150-R152 VanDerWaalsContact C-N 3.34Å; V150-R152 PolarHBondContact O-N 3.31Å; V150-Y153 WeakPolarHBondContact O-CB 3.46Å; V150-Y153 PolarHBondContact O-N 2.95Å; V150-Y153 VanDerWaalsContact O-N 3.14Å; V150-E154 HydrophobicContact CG1-CG 4.45Å; V150-E154 WeakPolarHBondContact O-CG 3.02Å; V150-E154 PolarHBondContact O-N 3.43Å
151R97.7Very high97.5Very high185 Ų185106.5 Ų106.570%0.69853%0.525SS*.Hα-helixtrans-59.4-40.5176.6-73.2177-176-177.63113.2N147 V149 C155N147-R151 VanDerWaalsContact O-CG 3.32Å; N147-R151 WeakPolarHBondContact O-CG 3.45Å; N147-R151 PolarHBondContact O-N 3.41Å; N147-R151 VanDerWaalsContact O-N 3.07Å; V149-R151 PolarHBondContact O-N 2.91Å; R151-C155 PolarHBondContact O-N 3.39Å; R151-C155 VanDerWaalsContact O-N 3.09Å
152R97.6Very high97.4Very high193 Ų193108.5 Ų108.573%0.72853%0.528SS*.Hα-helixtrans-65.9-40.3176.5-74.1175.9-173.1-176.14.5111.6A148 V149 V150 L156A148-R152 WeakPolarHBondContact O-CG 3.42Å; A148-R152 PolarHBondContact O-N 2.8Å; V149-R152 PolarHBondContact O-N 3.45Å; V150-R152 VanDerWaalsContact C-N 3.34Å; V150-R152 PolarHBondContact O-N 3.31Å; R152-L156 WeakPolarHBondContact O-CB 3.32Å; R152-L156 PolarHBondContact O-N 2.95Å
153Y97.5Very high97.2Very high168 Ų168112.3 Ų112.366%0.65954%0.535SS*.Hα-helixtrans-63.5-46.1176.4176.7-94.5000111.4V149 V150 C155 L156 A157V149-Y153 WeakPolarHBondContact O-CB 3.49Å; V149-Y153 PolarHBondContact O-N 3.03Å; V150-Y153 WeakPolarHBondContact O-CB 3.46Å; V150-Y153 PolarHBondContact O-N 2.95Å; V150-Y153 VanDerWaalsContact O-N 3.14Å; Y153-C155 PolarHBondContact O-N 3.07Å; Y153-L156 PolarHBondContact O-N 3.06Å; Y153-A157 WeakPolarHBondContact O-CB 3.4Å; Y153-A157 PolarHBondContact O-N 3.19Å
154E97.6Very high97.1Very high106 Ų106111.9 Ų111.950%0.49553%0.53SS..Hα-helixtrans-57.4-49.2175.9-71.3170.4161.500111.4V150 L156 A157 E158V150-E154 HydrophobicContact CG1-CG 4.45Å; V150-E154 WeakPolarHBondContact O-CG 3.02Å; V150-E154 PolarHBondContact O-N 3.43Å; E154-L156 PolarHBondContact O-N 3.04Å; E154-A157 PolarHBondContact O-N 3.45Å; E154-E158 WeakPolarHBondContact O-CG 3.3Å; E154-E158 PolarHBondContact O-N 3.38Å
155C96.8Very high97Very high65 Ų65112.2 Ų112.244%0.43953%0.526SS..Hα-helixtrans-61.5-39.9176.8-177.90000112.8R151 Y153 R159R151-C155 PolarHBondContact O-N 3.39Å; R151-C155 VanDerWaalsContact O-N 3.09Å; Y153-C155 PolarHBondContact O-N 3.07Å; C155-R159 WeakPolarHBondContact O-CG 3.32Å; C155-R159 PolarHBondContact O-N 2.89Å; C155-R159 VanDerWaalsContact O-N 3.1Å
156L97.2Very high96.8Very high114 Ų114109.9 Ų109.960%0.59752%0.515SS*.Hα-helixtrans-66.7-41.7176.5-177.264.8000111.6R152 Y153 E154 R159 Y160R152-L156 WeakPolarHBondContact O-CB 3.32Å; R152-L156 PolarHBondContact O-N 2.95Å; Y153-L156 PolarHBondContact O-N 3.06Å; E154-L156 PolarHBondContact O-N 3.04Å; L156-R159 PolarHBondContact O-N 2.94Å; L156-Y160 WeakPolarHBondContact O-CB 3.4Å; L156-Y160 PolarHBondContact O-N 3.26Å
157A97.4Very high96.6Very high32 Ų32108.5 Ų108.526%0.26451%0.508SS..Hα-helixtrans-62.7-42177.200000111.4Y153 E154 Y160 N161Y153-A157 WeakPolarHBondContact O-CB 3.4Å; Y153-A157 PolarHBondContact O-N 3.19Å; E154-A157 PolarHBondContact O-N 3.45Å; A157-Y160 PolarHBondContact O-N 2.8Å; A157-N161 WeakPolarHBondContact O-CB 3.04Å; A157-N161 PolarHBondContact O-N 3.21Å; A157-N161 PolarHBondContact O-ND2 2.96Å; A157-N161 VanDerWaalsContact O-ND2 3.14Å
158E97Very high96.4Very high121 Ų121109.1 Ų109.157%0.56551%0.51SS*.Hα-helixtrans-59.3-50.1173.5-74.3176174.500112.1E154 Y160 N161 E162E154-E158 WeakPolarHBondContact O-CG 3.3Å; E154-E158 PolarHBondContact O-N 3.38Å; E158-Y160 VanDerWaalsContact C-N 3.34Å; E158-Y160 PolarHBondContact O-N 2.89Å; E158-N161 PolarHBondContact O-N 2.86Å; E158-E162 PolarHBondContact O-N 3.24Å
159R96.3Very high96.1Very high167 Ų167115.7 Ų115.763%0.6353%0.526SS*.Hα-helixtrans-62.2-39.3177.5-70.917870.2-175.22.2112.6C155 L156 E162 K163C155-R159 WeakPolarHBondContact O-CG 3.32Å; C155-R159 PolarHBondContact O-N 2.89Å; C155-R159 VanDerWaalsContact O-N 3.1Å; L156-R159 PolarHBondContact O-N 2.94Å; R159-E162 PolarHBondContact O-N 3.5Å; R159-K163 WeakPolarHBondContact O-CG 3.34Å; R159-K163 PolarHBondContact O-N 3.44Å
160Y96.6Very high95.8Very high153 Ų153116 Ų11660%0.652%0.524SS*.Hα-helixtrans-62.9-46.7174.7177.2-98.6000110.8L156 A157 E158 E162 K163 V164L156-Y160 WeakPolarHBondContact O-CB 3.4Å; L156-Y160 PolarHBondContact O-N 3.26Å; A157-Y160 PolarHBondContact O-N 2.8Å; E158-Y160 VanDerWaalsContact C-N 3.34Å; E158-Y160 PolarHBondContact O-N 2.89Å; Y160-E162 VanDerWaalsContact C-N 3.31Å; Y160-E162 PolarHBondContact O-N 2.75Å; Y160-K163 PolarHBondContact O-N 2.85Å; Y160-K163 VanDerWaalsContact O-N 3.09Å; Y160-V164 HydrophobicContact CD1-CG2 4.04Å; Y160-V164 HydrophobicContact CE1-CG2 3.6Å; Y160-V164 HydrophobicContact CE2-CG2 4.22Å; Y160-V164 WeakPolarHBondContact O-CG2 3.26Å; Y160-V164 PolarHBondContact O-N 2.62Å
161N97Very high95.3Very high87 Ų87119.3 Ų119.347%0.46553%0.534SS..Hα-helixtrans-63-35.7177.6-72.3-27.8000112.4A157 E158 R165A157-N161 WeakPolarHBondContact O-CB 3.04Å; A157-N161 PolarHBondContact O-N 3.21Å; A157-N161 PolarHBondContact O-ND2 2.96Å; A157-N161 VanDerWaalsContact O-ND2 3.14Å; E158-N161 PolarHBondContact O-N 2.86Å; N161-R165 WeakPolarHBondContact O-CB 3.31Å; N161-R165 VanDerWaalsContact O-CG 3.31Å; N161-R165 WeakPolarHBondContact O-CG 3.43Å; N161-R165 PolarHBondContact O-N 2.9Å; N161-R165 PolarHBondContact O-NE 3.33Å
162E95.9Very high94.9Very high110 Ų110113.6 Ų113.651%0.51453%0.526SS..Hα-helixtrans-62.2-45.7169.5-76.1174.7-179.200112.4E158 R159 Y160 V164 R165 E166E158-E162 PolarHBondContact O-N 3.24Å; R159-E162 PolarHBondContact O-N 3.5Å; Y160-E162 VanDerWaalsContact C-N 3.31Å; Y160-E162 PolarHBondContact O-N 2.75Å; E162-V164 PolarHBondContact O-N 3.07Å; E162-R165 WeakPolarHBondContact O-CB 3.47Å; E162-R165 PolarHBondContact O-N 3.44Å; E162-E166 WeakPolarHBondContact O-CB 3.46Å; E162-E166 PolarHBondContact O-N 2.77Å
163K95.1Very high94.2Very high131 Ų131108.7 Ų108.757%0.5751%0.514SS*.Hα-helixtrans-65.4-37.4177.6-74.6-68170.8-161.90113.1R159 Y160 E166 N167R159-K163 WeakPolarHBondContact O-CG 3.34Å; R159-K163 PolarHBondContact O-N 3.44Å; Y160-K163 PolarHBondContact O-N 2.85Å; Y160-K163 VanDerWaalsContact O-N 3.09Å; K163-E166 WeakPolarHBondContact CD-OE2 3.42Å; K163-E166 IonicContact NZ-OE2 2.74Å; K163-E166 PolarHBondContact NZ-OE2 3.33Å; K163-E166 PolarHBondContact O-N 3.48Å; K163-N167 VanDerWaalsContact O-CB 3.31Å; K163-N167 WeakPolarHBondContact O-CB 3.38Å; K163-N167 PolarHBondContact O-N 3.39Å
164V95.8Very high93.3Very high52 Ų52105.4 Ų105.432%0.31551%0.505SS..Hα-helixtrans-61.6-46.8172171.60000110.2Y160 E162 E166 N167 I168Y160-V164 HydrophobicContact CD1-CG2 4.04Å; Y160-V164 HydrophobicContact CE1-CG2 3.6Å; Y160-V164 HydrophobicContact CE2-CG2 4.22Å; Y160-V164 WeakPolarHBondContact O-CG2 3.26Å; Y160-V164 PolarHBondContact O-N 2.62Å; E162-V164 PolarHBondContact O-N 3.07Å; V164-E166 PolarHBondContact O-N 3.47Å; V164-N167 PolarHBondContact O-N 2.75Å; V164-I168 HydrophobicContact CG1-CD1 3.84Å; V164-I168 VanDerWaalsContact O-CG1 3.27Å; V164-I168 WeakPolarHBondContact O-CG1 3.44Å; V164-I168 PolarHBondContact O-N 3.44Å
165R95.6Very high92.2Very high140 Ų140103.8 Ų103.853%0.52850%0.503SS..Hα-helixtrans-59.7-43.8176.1-75.7-177.9-75.2173-2.4112.3N161 E162 R169N161-R165 WeakPolarHBondContact O-CB 3.31Å; N161-R165 VanDerWaalsContact O-CG 3.31Å; N161-R165 WeakPolarHBondContact O-CG 3.43Å; N161-R165 PolarHBondContact O-N 2.9Å; N161-R165 PolarHBondContact O-NE 3.33Å; E162-R165 WeakPolarHBondContact O-CB 3.47Å; E162-R165 PolarHBondContact O-N 3.44Å; R165-R169 WeakPolarHBondContact O-CG 3.17Å; R165-R169 PolarHBondContact O-N 3.18Å; R165-R169 VanDerWaalsContact O-N 3.13Å
166E94Very high91Very high89 Ų89105.3 Ų105.342%0.41651%0.511SS..Hα-helixtrans-63.6-44.5176.1-171-179.8-169.900111.8E162 K163 V164 I168 R169 L170E162-E166 WeakPolarHBondContact O-CB 3.46Å; E162-E166 PolarHBondContact O-N 2.77Å; K163-E166 WeakPolarHBondContact CD-OE2 3.42Å; K163-E166 IonicContact NZ-OE2 2.74Å; K163-E166 PolarHBondContact NZ-OE2 3.33Å; K163-E166 PolarHBondContact O-N 3.48Å; V164-E166 PolarHBondContact O-N 3.47Å; E166-I168 PolarHBondContact O-N 3Å; E166-R169 WeakPolarHBondContact O-CB 3.45Å; E166-R169 PolarHBondContact O-N 2.88Å; E166-L170 HydrophobicContact CG-CD1 4.3Å; E166-L170 WeakPolarHBondContact O-CG 3.33Å; E166-L170 PolarHBondContact O-N 3.37Å
167N92.8Very high89.3Confident78 Ų78104.4 Ų104.442%0.41751%0.505SS..Hα-helixtrans-62.5-42178.4-167.4-91.7000112.2K163 V164 L170 K171K163-N167 VanDerWaalsContact O-CB 3.31Å; K163-N167 WeakPolarHBondContact O-CB 3.38Å; K163-N167 PolarHBondContact O-N 3.39Å; V164-N167 PolarHBondContact O-N 2.75Å; N167-L170 PolarHBondContact O-N 2.88Å; N167-K171 WeakPolarHBondContact O-CB 3.29Å; N167-K171 WeakPolarHBondContact O-CG 3.44Å; N167-K171 PolarHBondContact O-N 3.33Å; N167-K171 WeakPolarHBondContact OD1-CD 3.24Å; N167-K171 WeakPolarHBondContact OD1-CE 3.37Å; N167-K171 PolarHBondContact OD1-NZ 2.8Å
168I93.5Very high87.8Confident107 Ų107108.7 Ų108.755%0.54952%0.519SS..Hα-helixtrans-60.5-45.4175-68.4166000110.4V164 E166 L170 K171 A172V164-I168 HydrophobicContact CG1-CD1 3.84Å; V164-I168 VanDerWaalsContact O-CG1 3.27Å; V164-I168 WeakPolarHBondContact O-CG1 3.44Å; V164-I168 PolarHBondContact O-N 3.44Å; E166-I168 PolarHBondContact O-N 3Å; I168-L170 PolarHBondContact O-N 3.32Å; I168-K171 PolarHBondContact O-N 2.93Å; I168-A172 WeakPolarHBondContact O-CB 3.48Å; I168-A172 PolarHBondContact O-N 3.06Å
169R91.7Very high86.1Confident180 Ų180109.6 Ų109.668%0.67952%0.523SS*.Hα-helixtrans-60.7-44.2176.2-72.3175.2-179.5173.8-0.1112.3R165 E166 A172 N173R165-R169 WeakPolarHBondContact O-CG 3.17Å; R165-R169 PolarHBondContact O-N 3.18Å; R165-R169 VanDerWaalsContact O-N 3.13Å; E166-R169 WeakPolarHBondContact O-CB 3.45Å; E166-R169 PolarHBondContact O-N 2.88Å; R169-A172 PolarHBondContact O-N 3.14Å; R169-N173 PolarHBondContact O-N 3.38Å; R169-N173 VanDerWaalsContact O-N 3.15Å
170L90.1Very high84.3Confident96 Ų96104.7 Ų104.750%0.50351%0.514SS..Hα-helixtrans-64.3-44.5178.3-72.6171.1000112E166 N167 I168 A172 N173 Q174E166-L170 HydrophobicContact CG-CD1 4.3Å; E166-L170 WeakPolarHBondContact O-CG 3.33Å; E166-L170 PolarHBondContact O-N 3.37Å; N167-L170 PolarHBondContact O-N 2.88Å; I168-L170 PolarHBondContact O-N 3.32Å; L170-A172 VanDerWaalsContact C-N 3.33Å; L170-A172 PolarHBondContact O-N 2.97Å; L170-N173 PolarHBondContact O-N 3.43Å; L170-Q174 PolarHBondContact O-N 3.3Å
171K89Confident82.5Confident132 Ų132104.4 Ų104.457%0.57452%0.516SS*.Hα-helixtrans-62.2-38.7175.8-77-179.7175.4171.10112.4N167 I168 N173 Q174 P175N167-K171 WeakPolarHBondContact O-CB 3.29Å; N167-K171 WeakPolarHBondContact O-CG 3.44Å; N167-K171 PolarHBondContact O-N 3.33Å; N167-K171 WeakPolarHBondContact OD1-CD 3.24Å; N167-K171 WeakPolarHBondContact OD1-CE 3.37Å; N167-K171 PolarHBondContact OD1-NZ 2.8Å; I168-K171 PolarHBondContact O-N 2.93Å; K171-N173 VanDerWaalsContact C-N 3.29Å; K171-N173 PolarHBondContact O-N 3.44Å; K171-Q174 WeakPolarHBondContact O-CB 2.97Å; K171-Q174 PolarHBondContact O-N 3.3Å; K171-P175 WeakPolarHBondContact O-CD 3.34Å
172A87.7Confident80.7Confident65 Ų65103.4 Ų103.454%0.53752%0.516SS..Hα-helixtrans-64.5-32.5175.500000112.8I168 R169 L170 P175I168-A172 WeakPolarHBondContact O-CB 3.48Å; I168-A172 PolarHBondContact O-N 3.06Å; R169-A172 PolarHBondContact O-N 3.14Å; L170-A172 VanDerWaalsContact C-N 3.33Å; L170-A172 PolarHBondContact O-N 2.97Å; A172-P175 WeakPolarHBondContact O-CD 3.23Å
173N83.6Confident78.8Confident89 Ų89103.8 Ų103.848%0.47652%0.517SS..Hα-helixtrans-87.4-14.5178.3-70.2-18.5000114.1R169 L170 K171 V176 M177R169-N173 PolarHBondContact O-N 3.38Å; R169-N173 VanDerWaalsContact O-N 3.15Å; L170-N173 PolarHBondContact O-N 3.43Å; K171-N173 VanDerWaalsContact C-N 3.29Å; K171-N173 PolarHBondContact O-N 3.44Å; N173-V176 WeakPolarHBondContact O-CB 3.49Å; N173-V176 PolarHBondContact O-N 3.08Å; N173-V176 VanDerWaalsContact O-N 3.09Å; N173-M177 PolarHBondContact O-N 3.27Å
174Q78.8Confident76.9Confident99 Ų99100.5 Ų100.546%0.46351%0.511SS..Hα-helixtrans-55.2-44.9179.8-165.6176-0.700113.8L170 K171 V176 M177 Q178L170-Q174 PolarHBondContact O-N 3.3Å; K171-Q174 WeakPolarHBondContact O-CB 2.97Å; K171-Q174 PolarHBondContact O-N 3.3Å; Q174-V176 VanDerWaalsContact C-N 3.3Å; Q174-V176 PolarHBondContact O-N 3.04Å; Q174-M177 PolarHBondContact O-N 3.29Å; Q174-Q178 WeakPolarHBondContact O-CB 3.39Å; Q174-Q178 WeakPolarHBondContact O-CG 3.15Å; Q174-Q178 PolarHBondContact O-N 2.98Å
175P73.3Confident74.9Confident72 Ų72101 Ų10147%0.46852%0.521SS..Hα-helixtrans-65.6-32175.819.9-27.3000112.8K171 A172 Q178 H179K171-P175 WeakPolarHBondContact O-CD 3.34Å; A172-P175 WeakPolarHBondContact O-CD 3.23Å; P175-Q178 PolarHBondContact O-N 3Å; P175-H179 WeakPolarHBondContact O-CB 3.48Å; P175-H179 PolarHBondContact O-N 3.42Å
176V72.4Confident72.8Confident98 Ų98103 Ų10359%0.59453%0.534SS*.Hα-helixtrans-66.6-43.9176.6-175.30000110.7N173 Q174 H179 S180N173-V176 WeakPolarHBondContact O-CB 3.49Å; N173-V176 PolarHBondContact O-N 3.08Å; N173-V176 VanDerWaalsContact O-N 3.09Å; Q174-V176 VanDerWaalsContact C-N 3.3Å; Q174-V176 PolarHBondContact O-N 3.04Å; V176-H179 PolarHBondContact O-N 2.84Å; V176-S180 PolarHBondContact O-N 3.37Å; V176-S180 PolarHBondContact O-OG 3.19Å
177M61.9Low70.8Confident95 Ų95104.8 Ų104.847%0.46854%0.542SS..Hα-helixtrans-67.8-40.5175.3-78.2-165.3-76.900112.1N173 Q174 H179 S180 F181N173-M177 PolarHBondContact O-N 3.27Å; Q174-M177 PolarHBondContact O-N 3.29Å; M177-H179 VanDerWaalsContact C-N 3.27Å; M177-H179 PolarHBondContact O-N 2.99Å; M177-S180 WeakPolarHBondContact CA-OG 3.47Å; M177-S180 PolarHBondContact O-N 3.28Å; M177-S180 PolarHBondContact O-OG 3.38Å; M177-F181 WeakPolarHBondContact O-CB 3.44Å; M177-F181 VanDerWaalsContact O-CD2 3.31Å; M177-F181 WeakPolarHBondContact O-CD2 3.26Å; M177-F181 PolarHBondContact O-N 3.24Å
178Q65.2Low68.8Low122 Ų122103.1 Ų103.157%0.5754%0.544SS*.Hα-helixtrans-62-37175.2-75.9179.1-22.600111.9Q174 P175 S182Q174-Q178 WeakPolarHBondContact O-CB 3.39Å; Q174-Q178 WeakPolarHBondContact O-CG 3.15Å; Q174-Q178 PolarHBondContact O-N 2.98Å; P175-Q178 PolarHBondContact O-N 3Å; Q178-S182 WeakPolarHBondContact O-CB 3.49Å; Q178-S182 PolarHBondContact O-N 3.09Å; Q178-S182 PolarHBondContact O-OG 2.94Å
179H60.8Low66.8Low140 Ų140103 Ų10365%0.64855%0.548SS*.Hα-helixtrans-68.8-38173.7-115.1-70000113.2P175 V176 M177 S182 H183P175-H179 WeakPolarHBondContact O-CB 3.48Å; P175-H179 PolarHBondContact O-N 3.42Å; V176-H179 PolarHBondContact O-N 2.84Å; M177-H179 VanDerWaalsContact C-N 3.27Å; M177-H179 PolarHBondContact O-N 2.99Å; H179-S182 WeakPolarHBondContact CA-OG 3.38Å; H179-S182 PolarHBondContact O-OG 3.1Å; H179-H183 WeakPolarHBondContact O-CB 3.5Å; H179-H183 PolarHBondContact O-N 3.09Å
180S59.8Low64.9Low64 Ų6496.7 Ų96.745%0.44854%0.539SS..Hα-helixtrans-73.4-34.1177.164.40000112.4V176 M177 H183 S184V176-S180 PolarHBondContact O-N 3.37Å; V176-S180 PolarHBondContact O-OG 3.19Å; M177-S180 WeakPolarHBondContact CA-OG 3.47Å; M177-S180 PolarHBondContact O-N 3.28Å; M177-S180 PolarHBondContact O-OG 3.38Å; S180-H183 PolarHBondContact O-N 3.18Å; S180-S184 WeakPolarHBondContact O-CB 3.45Å; S180-S184 PolarHBondContact O-N 3.45Å; S180-S184 PolarHBondContact O-OG 3.05Å
181F59.5Low63.1Low147 Ų147100.5 Ų100.565%0.64555%0.551SS**Hα-helixtrans-68.3-40.4172.1-90.6-78.7000112.3M177 H183 S184 A185M177-F181 WeakPolarHBondContact O-CB 3.44Å; M177-F181 VanDerWaalsContact O-CD2 3.31Å; M177-F181 WeakPolarHBondContact O-CD2 3.26Å; M177-F181 PolarHBondContact O-N 3.24Å; F181-H183 VanDerWaalsContact C-N 3.34Å; F181-S184 WeakPolarHBondContact CA-OG 3.47Å; F181-S184 PolarHBondContact O-OG 2.71Å; F181-A185 VanDerWaalsContact O-CB 3.24Å; F181-A185 WeakPolarHBondContact O-CB 3.47Å; F181-A185 PolarHBondContact O-N 3.47Å
182S58Low61.3Low65 Ų65101.3 Ų101.346%0.45556%0.561SS.*Hα-helixtrans-65.9-38.2174.463.90000111.7Q178 H179 F186Q178-S182 WeakPolarHBondContact O-CB 3.49Å; Q178-S182 PolarHBondContact O-N 3.09Å; Q178-S182 PolarHBondContact O-OG 2.94Å; H179-S182 WeakPolarHBondContact CA-OG 3.38Å; H179-S182 PolarHBondContact O-OG 3.1Å; S182-F186 WeakPolarHBondContact O-CB 3.49Å; S182-F186 PolarHBondContact O-N 3.28Å; S182-F186 VanDerWaalsContact O-N 3.08Å
183H55.6Low59.6Low118 Ų118106.6 Ų106.655%0.54658%0.575SS.*Hα-helixtrans-71.8-35.8178-148.3-76.8000113.3H179 S180 F181 Q187H179-H183 WeakPolarHBondContact O-CB 3.5Å; H179-H183 PolarHBondContact O-N 3.09Å; S180-H183 PolarHBondContact O-N 3.18Å; F181-H183 VanDerWaalsContact C-N 3.34Å; H183-Q187 PolarHBondContact O-N 3.43Å; H183-Q187 VanDerWaalsContact O-N 3.13Å
184S55.6Low58.2Low63 Ų63111.1 Ų111.144%0.44159%0.593SS.*Hα-helixtrans-76.4-35.1176.151.40000112.7S180 F181 F186 Q187 G188S180-S184 WeakPolarHBondContact O-CB 3.45Å; S180-S184 PolarHBondContact O-N 3.45Å; S180-S184 PolarHBondContact O-OG 3.05Å; F181-S184 WeakPolarHBondContact CA-OG 3.47Å; F181-S184 PolarHBondContact O-OG 2.71Å; S184-F186 VanDerWaalsContact C-N 3.3Å; S184-F186 PolarHBondContact O-N 3.04Å; S184-Q187 PolarHBondContact O-N 3.25Å; S184-G188 PolarHBondContact O-N 3.28Å
185A53.2Low56.8Low63 Ų63117.4 Ų117.452%0.52161%0.612SS.*Hα-helixtrans-61.8-39169.300000111.3F181 G188 V189F181-A185 VanDerWaalsContact O-CB 3.24Å; F181-A185 WeakPolarHBondContact O-CB 3.47Å; F181-A185 PolarHBondContact O-N 3.47Å; A185-G188 PolarHBondContact O-N 3.28Å; A185-V189 WeakPolarHBondContact O-CG2 3.28Å; A185-V189 PolarHBondContact O-N 3.48Å
186F53.1Low55.3Low180 Ų180129.3 Ų129.379%0.78965%0.648SS**Hα-helixtrans-65.7-39.1175.9-139.7-93.4000112.5S182 S184 G190S182-F186 WeakPolarHBondContact O-CB 3.49Å; S182-F186 PolarHBondContact O-N 3.28Å; S182-F186 VanDerWaalsContact O-N 3.08Å; S184-F186 VanDerWaalsContact C-N 3.3Å; S184-F186 PolarHBondContact O-N 3.04Å; F186-G190 PolarHBondContact O-N 2.85Å
187Q51.3Low54.5Low127 Ų127130.9 Ų130.959%0.59365%0.651SS**Hα-helixtrans-75-24.2176.1-74.3-177.6-13.400113.9H183 S184H183-Q187 PolarHBondContact O-N 3.43Å; H183-Q187 VanDerWaalsContact O-N 3.13Å; S184-Q187 PolarHBondContact O-N 3.25Å
188G51.3Low54.1Low44 Ų44132.7 Ų132.745%0.45466%0.66SS.*Hα-helixtrans-71.9-32.3173.900000113.4S184 A185S184-G188 PolarHBondContact O-N 3.28Å; A185-G188 PolarHBondContact O-N 3.28Å
189V51.1Low53.5Low104 Ų104133.3 Ų133.363%0.6367%0.665SS**Hα-helixtrans-78.2-35.2177.5179.80000111.4A185 K191 L192A185-V189 WeakPolarHBondContact O-CG2 3.28Å; A185-V189 PolarHBondContact O-N 3.48Å; V189-K191 VanDerWaalsContact C-N 3.3Å; V189-K191 PolarHBondContact O-N 3.06Å; V189-L192 PolarHBondContact O-N 3.37Å
190G51.9Low53.1Low48 Ų48132.9 Ų132.950%0.49567%0.666SS.*THydrogen-bonded Turntrans-71.9-9.3-179.400000116.6F186F186-G190 PolarHBondContact O-N 2.85Å
191K52Low52.6Low175 Ų175137.3 Ų137.376%0.76168%0.68SS**THydrogen-bonded Turntrans-97.8-0.9178.8-81.2-175.5176178.50114.6V189V189-K191 VanDerWaalsContact C-N 3.3Å; V189-K191 PolarHBondContact O-N 3.06Å
192L51.1Low52.2Low149 Ų149136.6 Ų136.678%0.7868%0.682SS**SBendtrans-97.2-11.3-179.4-91.7147.8000114.1V189V189-L192 PolarHBondContact O-N 3.37Å
193E52.9Low51.8Low177 Ų177141.7 Ų141.783%0.82770%0.699SS**SBendtrans-98.1-1.7-178.1-78.2-178.2146.600115.4
194E52.8Low51.5Low183 Ų183143.5 Ų143.586%0.85571%0.71SS**SBendtrans-108.817.6-177.8-120.2172.9-174.800114.3
195R49.5Very low51.1Low232 Ų232150.3 Ų150.388%0.87573%0.733SS**  trans-127.266.8173.9-70.9-173-179-1580.1110.9
196R43.2Very low50.9Low321 Ų321158.2 Ų158.2100%1.21175%0.752SS**  trans-152.80161.4-108.9-176.2-173.9-167.81.6110.7

Retrieved 196 of 196 residues in 282.6 ms (Link to these results)

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