A0A077ZGY3_TRITR Loading...

CCP MauG and Cytochrom C and Haem bd domain conta ining protein

AlphaFold DB , UniProt , Accession A0A077ZGY3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 463 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
1M58.8Low78.8Confident200 Ų200108.7 Ų108.799%0.98561%0.612SS**  0-48.40-138.1168.1178.700112S3 R4 I5M1-S3 PolarHBondContact O-N 3.39Å; M1-R4 PolarHBondContact O-N 3.19Å; M1-I5 PolarHBondContact O-N 3.32Å
2V68.9Low79.5Confident116 Ų116102.3 Ų102.370%0.70359%0.589SS**Hα-helixtrans-49.3-50.1177.6-178.80000113.3R4 I5 T6V2-R4 VanDerWaalsContact C-N 3.33Å; V2-R4 PolarHBondContact O-N 2.98Å; V2-I5 PolarHBondContact O-N 3.37Å; V2-T6 PolarHBondContact O-N 2.95Å; V2-T6 PolarHBondContact O-OG1 3.4Å
3S80.5Confident80.1Confident96 Ų96102.4 Ų102.467%0.67159%0.591SS**Hα-helixtrans-58.8-35.4-178.8169.90000114.8M1 A7M1-S3 PolarHBondContact O-N 3.39Å; S3-A7 WeakPolarHBondContact O-CB 3.39Å; S3-A7 PolarHBondContact O-N 2.94Å
4R76.5Confident80.8Confident202 Ų20298.4 Ų98.476%0.76258%0.576SS**Hα-helixtrans-73.2-40.3178.6-72.4-172.4-180-179.4-0.3112M1 V2 T6 A7 I8M1-R4 PolarHBondContact O-N 3.19Å; V2-R4 VanDerWaalsContact C-N 3.33Å; V2-R4 PolarHBondContact O-N 2.98Å; R4-T6 VanDerWaalsContact C-N 3.34Å; R4-A7 PolarHBondContact O-N 3.22Å; R4-I8 VanDerWaalsContact O-CG1 3.29Å; R4-I8 WeakPolarHBondContact O-CG1 3.34Å; R4-I8 PolarHBondContact O-N 3Å
5I79.1Confident81.5Confident117 Ų11799.9 Ų99.960%0.658%0.579SS**Hα-helixtrans-64.6-43.4176.4-62.8173.2000109.7M1 V2 I8 G9M1-I5 PolarHBondContact O-N 3.32Å; V2-I5 PolarHBondContact O-N 3.37Å; I5-I8 PolarHBondContact O-N 3.24Å; I5-G9 PolarHBondContact O-N 2.98Å
6T81.7Confident82Confident75 Ų7599.4 Ų99.446%0.4658%0.582SS.*Hα-helixtrans-61.1-44.8175.2-49.10000111.8V2 R4 G9 L10V2-T6 PolarHBondContact O-N 2.95Å; V2-T6 PolarHBondContact O-OG1 3.4Å; R4-T6 VanDerWaalsContact C-N 3.34Å; T6-G9 PolarHBondContact O-N 2.93Å; T6-L10 HydrophobicContact CG2-CD1 4.11Å; T6-L10 HydrophobicContact CG2-CG 4.49Å; T6-L10 WeakPolarHBondContact O-CG 3.29Å; T6-L10 PolarHBondContact O-N 2.95Å
7A81.3Confident82.4Confident54 Ų5499.2 Ų99.245%0.44657%0.57SS.*Hα-helixtrans-63.1-43178.700000112.7S3 R4 L10 A11S3-A7 WeakPolarHBondContact O-CB 3.39Å; S3-A7 PolarHBondContact O-N 2.94Å; R4-A7 PolarHBondContact O-N 3.22Å; A7-L10 PolarHBondContact O-N 3.32Å; A7-A11 WeakPolarHBondContact O-CB 3.36Å; A7-A11 PolarHBondContact O-N 3.42Å
8I83.5Confident83Confident126 Ų12699.1 Ų99.165%0.64657%0.567SS**Hα-helixtrans-63.9-43.2175.9-67.4166000110.6R4 I5 A11 G12R4-I8 VanDerWaalsContact O-CG1 3.29Å; R4-I8 WeakPolarHBondContact O-CG1 3.34Å; R4-I8 PolarHBondContact O-N 3Å; I5-I8 PolarHBondContact O-N 3.24Å; I8-A11 PolarHBondContact O-N 2.96Å; I8-G12 PolarHBondContact O-N 3.44Å
9G83.8Confident83.5Confident41 Ų4196.4 Ų96.442%0.42356%0.563SS.*Hα-helixtrans-60.2-46.7176.500000112.7I5 T6 G12 V13I5-G9 PolarHBondContact O-N 2.98Å; T6-G9 PolarHBondContact O-N 2.93Å; G9-G12 PolarHBondContact O-N 3.31Å; G9-V13 WeakPolarHBondContact O-CG2 3.36Å; G9-V13 PolarHBondContact O-N 3.35Å
10L86.3Confident83.9Confident119 Ų11994.4 Ų94.462%0.62355%0.549SS*.Hα-helixtrans-64-42.5177.4-72.3171.5000112.3T6 A7 G12 V13 A14T6-L10 HydrophobicContact CG2-CD1 4.11Å; T6-L10 HydrophobicContact CG2-CG 4.49Å; T6-L10 WeakPolarHBondContact O-CG 3.29Å; T6-L10 PolarHBondContact O-N 2.95Å; A7-L10 PolarHBondContact O-N 3.32Å; L10-G12 VanDerWaalsContact C-N 3.33Å; L10-G12 PolarHBondContact O-N 2.96Å; L10-V13 PolarHBondContact O-N 3.4Å; L10-A14 WeakPolarHBondContact O-CB 3.29Å; L10-A14 PolarHBondContact O-N 3.04Å
11A86.4Confident84.2Confident50 Ų5090.1 Ų90.141%0.41353%0.525SS..Hα-helixtrans-61.7-41.5175.700000111.6A7 I8 A14 I15A7-A11 WeakPolarHBondContact O-CB 3.36Å; A7-A11 PolarHBondContact O-N 3.42Å; I8-A11 PolarHBondContact O-N 2.96Å; A11-A14 PolarHBondContact O-N 3.35Å; A11-I15 VanDerWaalsContact O-CG1 3.29Å; A11-I15 WeakPolarHBondContact O-CG1 3.42Å; A11-I15 PolarHBondContact O-N 3.47Å
12G87.4Confident85.9Confident32 Ų3282.4 Ų82.433%0.3350%0.496SS..Hα-helixtrans-60.8-46.3175.500000112.7I8 G9 L10 A14 I15 C16I8-G12 PolarHBondContact O-N 3.44Å; G9-G12 PolarHBondContact O-N 3.31Å; L10-G12 VanDerWaalsContact C-N 3.33Å; L10-G12 PolarHBondContact O-N 2.96Å; G12-A14 VanDerWaalsContact C-N 3.35Å; G12-A14 PolarHBondContact O-N 3.34Å; G12-I15 PolarHBondContact O-N 2.98Å; G12-C16 PolarHBondContact O-N 3.37Å; G12-C16 PolarHBondContact O-SG 3.03Å; G12-C16 VanDerWaalsContact O-SG 3.35Å
13V87.6Confident87Confident103 Ų10381 Ų8162%0.62448%0.479SS*.Hα-helixtrans-60.9-43.8176.21730000111.3G9 L10 C16 Y17G9-V13 WeakPolarHBondContact O-CG2 3.36Å; G9-V13 PolarHBondContact O-N 3.35Å; L10-V13 PolarHBondContact O-N 3.4Å; V13-C16 PolarHBondContact O-N 2.9Å; V13-Y17 WeakPolarHBondContact O-CB 3.48Å; V13-Y17 PolarHBondContact O-N 3.02Å
14A88.9Confident87.6Confident46 Ų4676.4 Ų76.438%0.3845%0.447SS..Hα-helixtrans-62.6-44.1178.500000112.2L10 A11 G12 Y17 L18L10-A14 WeakPolarHBondContact O-CB 3.29Å; L10-A14 PolarHBondContact O-N 3.04Å; A11-A14 PolarHBondContact O-N 3.35Å; G12-A14 VanDerWaalsContact C-N 3.35Å; G12-A14 PolarHBondContact O-N 3.34Å; A14-Y17 PolarHBondContact O-N 2.94Å; A14-L18 WeakPolarHBondContact O-CB 3.43Å; A14-L18 VanDerWaalsContact O-CG 3.27Å; A14-L18 WeakPolarHBondContact O-CG 3.27Å; A14-L18 PolarHBondContact O-N 3.47Å
15I91.3Very high88.4Confident121 Ų12174 Ų7462%0.62144%0.438SS*.Hα-helixtrans-63-45.4177.5-68.7165.2000110.9A11 G12 Y17 L18 G19A11-I15 VanDerWaalsContact O-CG1 3.29Å; A11-I15 WeakPolarHBondContact O-CG1 3.42Å; A11-I15 PolarHBondContact O-N 3.47Å; G12-I15 PolarHBondContact O-N 2.98Å; I15-Y17 VanDerWaalsContact C-N 3.35Å; I15-Y17 PolarHBondContact O-N 3.32Å; I15-L18 PolarHBondContact O-N 3.41Å; I15-G19 PolarHBondContact O-N 2.95Å
16C89.4Confident89Confident93 Ų9374.9 Ų74.963%0.62844%0.435SS*.Hα-helixtrans-61.1-43.8177.3-71.50000111.9G12 V13 G19 L20G12-C16 PolarHBondContact O-N 3.37Å; G12-C16 PolarHBondContact O-SG 3.03Å; G12-C16 VanDerWaalsContact O-SG 3.35Å; V13-C16 PolarHBondContact O-N 2.9Å; C16-G19 PolarHBondContact O-N 3.37Å; C16-L20 WeakPolarHBondContact O-CB 3.33Å; C16-L20 PolarHBondContact O-N 3.16Å
17Y89.9Confident89.5Confident95 Ų9572.5 Ų72.537%0.37342%0.418SS..Hα-helixtrans-63.8-47.3177.6173-110.1000112V13 A14 I15 G19 L20 S21 A130 L131 W133V13-Y17 WeakPolarHBondContact O-CB 3.48Å; V13-Y17 PolarHBondContact O-N 3.02Å; A14-Y17 PolarHBondContact O-N 2.94Å; I15-Y17 VanDerWaalsContact C-N 3.35Å; I15-Y17 PolarHBondContact O-N 3.32Å; Y17-G19 PolarHBondContact O-N 3.43Å; Y17-L20 PolarHBondContact O-N 3.48Å; Y17-S21 PolarHBondContact O-N 3.12Å; Y17-S21 PolarHBondContact O-OG 3.32Å; Y17-A130 WeakPolarHBondContact CE2-O 3.45Å; Y17-A130 PolarHBondContact OH-O 2.91Å; Y17-L131 HydrophobicContact CD2-CD2 4.11Å; Y17-L131 HydrophobicContact CE2-CD2 3.81Å; Y17-W133 HydrophobicContact CE1-CH2 4.46Å; Y17-W133 AromaticContact CE1-CZ2 3.63Å; Y17-W133 HydrophobicContact CE1-CZ2 3.63Å; Y17-W133 AromaticContact CZ-CZ2 3.79Å; Y17-W133 WeakPolarHBondContact OH-CZ2 3.31Å; Y17-W133 PolarHBondContact OH-NE1 3.09Å; Y17-W133 VanDerWaalsContact OH-NE1 3.14Å
18L92.1Very high90Very high98 Ų9870.8 Ų70.851%0.51340%0.402SS..Hα-helixtrans-64.6-39.1177.6-69.2176.5000112.3A14 I15 S21 G22 W133A14-L18 WeakPolarHBondContact O-CB 3.43Å; A14-L18 VanDerWaalsContact O-CG 3.27Å; A14-L18 WeakPolarHBondContact O-CG 3.27Å; A14-L18 PolarHBondContact O-N 3.47Å; I15-L18 PolarHBondContact O-N 3.41Å; L18-S21 PolarHBondContact O-N 3.01Å; L18-G22 PolarHBondContact O-N 3.28Å; L18-W133 HydrophobicContact CD2-CH2 3.67Å; L18-W133 HydrophobicContact CD2-CZ2 4.46Å
19G92.8Very high90.3Very high48 Ų4867.2 Ų67.250%0.49538%0.384SS..Hα-helixtrans-62.4-42.8174.500000112I15 C16 Y17 G22 Y23I15-G19 PolarHBondContact O-N 2.95Å; C16-G19 PolarHBondContact O-N 3.37Å; Y17-G19 PolarHBondContact O-N 3.43Å; G19-G22 PolarHBondContact O-N 2.87Å; G19-Y23 PolarHBondContact O-N 2.85Å
20L91Very high90.6Very high55 Ų5569.9 Ų69.929%0.28838%0.384SS..Hα-helixtrans-64.3-49.1174.8-178.560.4000111.3C16 Y17 G22 Y23 V24 Y70 L131C16-L20 WeakPolarHBondContact O-CB 3.33Å; C16-L20 PolarHBondContact O-N 3.16Å; Y17-L20 PolarHBondContact O-N 3.48Å; L20-G22 VanDerWaalsContact C-N 3.29Å; L20-G22 PolarHBondContact O-N 3.47Å; L20-Y23 HydrophobicContact CD1-CD1 4.34Å; L20-Y23 WeakPolarHBondContact O-CB 3.46Å; L20-Y23 PolarHBondContact O-N 3.44Å; L20-Y23 VanDerWaalsContact O-N 3.15Å; L20-V24 HydrophobicContact CD1-CG2 4.42Å; L20-V24 WeakPolarHBondContact O-CG2 3.41Å; L20-V24 PolarHBondContact O-N 2.64Å; L20-Y70 HydrophobicContact CD1-CD1 4.12Å; L20-Y70 HydrophobicContact CD1-CG 4.11Å; L20-L131 HydrophobicContact CD2-CD1 4.06Å; L20-L131 HydrophobicContact CD2-CD2 3.72Å; L20-L131 HydrophobicContact CG-CD2 4.03Å
21S91.2Very high90.6Very high5 Ų565.4 Ų65.44%0.03536%0.359CS..Hα-helixtrans-60.8-37.3177.3-62.30000112.4Y17 L18 V24 W25Y17-S21 PolarHBondContact O-N 3.12Å; Y17-S21 PolarHBondContact O-OG 3.32Å; L18-S21 PolarHBondContact O-N 3.01Å; S21-V24 PolarHBondContact O-N 2.89Å; S21-W25 WeakPolarHBondContact O-CB 3.39Å; S21-W25 PolarHBondContact O-N 3.48Å
22G93.5Very high90.4Very high38 Ų3864 Ų6439%0.39235%0.346SS..Hα-helixtrans-65-41.4173.900000112.8L18 G19 L20 W25 Y26L18-G22 PolarHBondContact O-N 3.28Å; G19-G22 PolarHBondContact O-N 2.87Å; L20-G22 VanDerWaalsContact C-N 3.29Å; L20-G22 PolarHBondContact O-N 3.47Å; G22-W25 PolarHBondContact O-N 2.86Å; G22-Y26 PolarHBondContact O-N 3.26Å
23Y93.7Very high90.2Very high87 Ų8769.4 Ų69.434%0.34136%0.36SS..Hα-helixtrans-60.9-46171.5164.8-96.6000111.7G19 L20 Y26 H27 P68 A69 Y70G19-Y23 PolarHBondContact O-N 2.85Å; L20-Y23 HydrophobicContact CD1-CD1 4.34Å; L20-Y23 WeakPolarHBondContact O-CB 3.46Å; L20-Y23 PolarHBondContact O-N 3.44Å; L20-Y23 VanDerWaalsContact O-N 3.15Å; Y23-Y26 PolarHBondContact O-N 3.42Å; Y23-H27 WeakPolarHBondContact O-CB 3.05Å; Y23-H27 PolarHBondContact O-N 3.19Å; Y23-P68 HydrophobicContact CE1-CB 4.31Å; Y23-A69 HydrophobicContact CE1-CB 4.45Å; Y23-A69 WeakPolarHBondContact OH-CB 3.16Å; Y23-A69 PolarHBondContact OH-N 3.3Å; Y23-Y70 HydrophobicContact CE1-CD1 4.25Å
24V93.1Very high89.3Confident0 Ų070 Ų700%036%0.356CS..Hα-helixtrans-61.4-46178.9172.70000111L20 S21 Y26 H27 D28 Y70 L131 H132L20-V24 HydrophobicContact CD1-CG2 4.42Å; L20-V24 WeakPolarHBondContact O-CG2 3.41Å; L20-V24 PolarHBondContact O-N 2.64Å; S21-V24 PolarHBondContact O-N 2.89Å; V24-Y26 VanDerWaalsContact C-N 3.32Å; V24-Y26 PolarHBondContact O-N 3.22Å; V24-H27 WeakPolarHBondContact O-CB 3.09Å; V24-H27 PolarHBondContact O-N 3.21Å; V24-D28 WeakPolarHBondContact O-CB 3.15Å; V24-D28 VanDerWaalsContact O-CG 3.29Å; V24-D28 PolarHBondContact O-N 2.98Å; V24-Y70 HydrophobicContact CG2-CD1 3.68Å; V24-Y70 HydrophobicContact CG2-CE1 3.37Å; V24-L131 HydrophobicContact CG2-CB 4.45Å; V24-H132 HydrophobicContact CG1-CB 4.46Å; V24-H132 VanDerWaalsContact CG1-CE1 3.44Å; V24-H132 WeakPolarHBondContact CG1-CE1 3.35Å; V24-H132 WeakPolarHBondContact CG1-ND1 3.49Å
25W92.7Very high88Confident150 Ų15070 Ų7057%0.56836%0.356SS*.Hα-helixtrans-57.2-44.4175176.886.4000112.3S21 G22 N29S21-W25 WeakPolarHBondContact O-CB 3.39Å; S21-W25 PolarHBondContact O-N 3.48Å; G22-W25 PolarHBondContact O-N 2.86Å; W25-N29 VanDerWaalsContact O-CB 3.28Å; W25-N29 WeakPolarHBondContact O-CB 3.4Å; W25-N29 PolarHBondContact O-N 3.37Å
26Y92.5Very high86.5Confident137 Ų13771.7 Ų71.754%0.53737%0.367SS..Hα-helixtrans-62.8-45.7176.7173.4-96.2000111.8G22 Y23 V24 K30G22-Y26 PolarHBondContact O-N 3.26Å; Y23-Y26 PolarHBondContact O-N 3.42Å; V24-Y26 VanDerWaalsContact C-N 3.32Å; V24-Y26 PolarHBondContact O-N 3.22Å; Y26-K30 WeakPolarHBondContact O-CB 3.42Å; Y26-K30 PolarHBondContact O-N 2.91Å
27H92Very high85.5Confident24 Ų2471.3 Ų71.311%0.11136%0.361CS..Hα-helixtrans-58.7-51.2177.2176.8-85.5000111.4Y23 V24 N29 K30 R31 Y59Y23-H27 WeakPolarHBondContact O-CB 3.05Å; Y23-H27 PolarHBondContact O-N 3.19Å; V24-H27 WeakPolarHBondContact O-CB 3.09Å; V24-H27 PolarHBondContact O-N 3.21Å; H27-N29 PolarHBondContact O-N 2.79Å; H27-K30 PolarHBondContact O-N 3.27Å; H27-R31 WeakPolarHBondContact O-CB 3.3Å; H27-R31 PolarHBondContact O-N 3.36Å; H27-Y59 PolarHBondContact CE1-OH 3.01Å; H27-Y59 VanDerWaalsContact CE1-OH 3.25Å; H27-Y59 PolarHBondContact ND1-OH 2.87Å; H27-Y59 VanDerWaalsContact ND1-OH 3.12Å
28D91.7Very high85Confident18 Ų1873.3 Ų73.310%0.09637%0.374CS..Hα-helixtrans-62.3-43.3-178.7-70-16.7000112.2V24 K30 R31 S32 Y59 H132V24-D28 WeakPolarHBondContact O-CB 3.15Å; V24-D28 VanDerWaalsContact O-CG 3.29Å; V24-D28 PolarHBondContact O-N 2.98Å; D28-K30 VanDerWaalsContact C-N 3.32Å; D28-K30 PolarHBondContact O-N 2.89Å; D28-R31 PolarHBondContact O-N 3.16Å; D28-S32 WeakPolarHBondContact O-CB 3.46Å; D28-S32 PolarHBondContact O-N 3.15Å; D28-S32 PolarHBondContact O-OG 3.45Å; D28-Y59 PolarHBondContact OD1-OH 2.55Å; D28-H132 IonicContact OD1-CE1 3.63Å; D28-H132 IonicContact OD1-ND1 3.47Å; D28-H132 PolarHBondContact OD1-ND1 2.76Å; D28-H132 IonicContact OD2-CE1 3.63Å; D28-H132 IonicContact OD2-CG 3.34Å; D28-H132 IonicContact OD2-ND1 2.72Å; D28-H132 PolarHBondContact OD2-ND1 2.81Å
29N89.6Confident84.7Confident52 Ų5272 Ų7228%0.27838%0.377SS..Hα-helixtrans-67.1-31.7177.6176.565.3000112.8W25 H27 S32 K33W25-N29 VanDerWaalsContact O-CB 3.28Å; W25-N29 WeakPolarHBondContact O-CB 3.4Å; W25-N29 PolarHBondContact O-N 3.37Å; H27-N29 PolarHBondContact O-N 2.79Å; N29-S32 PolarHBondContact O-OG 3.14Å; N29-K33 PolarHBondContact ND2-NZ 3.33Å; N29-K33 WeakPolarHBondContact O-CD 3.46Å; N29-K33 WeakPolarHBondContact O-CG 3.43Å; N29-K33 VanDerWaalsContact OD1-CE 3.25Å; N29-K33 WeakPolarHBondContact OD1-CE 3.34Å; N29-K33 PolarHBondContact OD1-NZ 3.44Å
30K89Confident84.6Confident96 Ų9670 Ų7042%0.41736%0.356SS..Hα-helixtrans-70.9-48.3173.2-174.8-175.7174.5-168.70110.2Y26 H27 D28 S32 K33 Q34Y26-K30 WeakPolarHBondContact O-CB 3.42Å; Y26-K30 PolarHBondContact O-N 2.91Å; H27-K30 PolarHBondContact O-N 3.27Å; D28-K30 VanDerWaalsContact C-N 3.32Å; D28-K30 PolarHBondContact O-N 2.89Å; K30-S32 VanDerWaalsContact C-N 3.34Å; K30-S32 PolarHBondContact O-N 3.18Å; K30-K33 PolarHBondContact O-N 2.62Å; K30-K33 VanDerWaalsContact O-N 3.13Å; K30-Q34 VanDerWaalsContact CE-OE1 3.23Å; K30-Q34 HydrophobicContact CG-CG 4.21Å; K30-Q34 WeakPolarHBondContact O-CB 3.44Å; K30-Q34 WeakPolarHBondContact O-CG 3.09Å; K30-Q34 PolarHBondContact O-N 3.35Å
31R86.3Confident84.7Confident25 Ų2571.9 Ų71.99%0.09438%0.379CS..Hα-helixtrans-57.8-44.3178.7-167.8-172.880.5988.3112.1H27 D28 K33 Q34 A35 R53 D58 Y59H27-R31 WeakPolarHBondContact O-CB 3.3Å; H27-R31 PolarHBondContact O-N 3.36Å; D28-R31 PolarHBondContact O-N 3.16Å; R31-K33 PolarHBondContact O-N 2.95Å; R31-Q34 PolarHBondContact O-N 3.35Å; R31-A35 PolarHBondContact O-N 3.39Å; R31-R53 PolarHBondContact NH2-O 3.09Å; R31-D58 IonicContact CZ-OD1 3.72Å; R31-D58 VanDerWaalsContact CZ-OD1 3.29Å; R31-D58 IonicContact CZ-OD2 2.98Å; R31-D58 IonicContact NH1-OD1 3.86Å; R31-D58 PolarHBondContact NH1-OD1 3.32Å; R31-D58 IonicContact NH1-OD2 3.92Å; R31-D58 PolarHBondContact NH1-OD2 2.85Å; R31-D58 IonicContact NH2-OD1 2.77Å; R31-D58 PolarHBondContact NH2-OD1 2.87Å; R31-D58 IonicContact NH2-OD2 2.67Å; R31-Y59 VanDerWaalsContact CD-OH 3.32Å; R31-Y59 WeakPolarHBondContact CD-OH 3.4Å; R31-Y59 VanDerWaalsContact NE-CZ 3.34Å; R31-Y59 PolarHBondContact NE-OH 3.45Å
32S83.6Confident84.8Confident20 Ų2074.4 Ų74.414%0.1439%0.394CS..Hα-helixtrans-66.4-21.3179.970.60000113.7D28 N29 K30 R53D28-S32 WeakPolarHBondContact O-CB 3.46Å; D28-S32 PolarHBondContact O-N 3.15Å; D28-S32 PolarHBondContact O-OG 3.45Å; N29-S32 PolarHBondContact O-OG 3.14Å; K30-S32 VanDerWaalsContact C-N 3.34Å; K30-S32 PolarHBondContact O-N 3.18Å; S32-R53 VanDerWaalsContact O-CD 3.31Å; S32-R53 WeakPolarHBondContact O-CD 3.33Å; S32-R53 PolarHBondContact O-NE 3.04Å
33K81.5Confident84.8Confident146 Ų14676.8 Ų76.864%0.63541%0.405SS*.Hα-helixtrans-95.8-26176.6-67.9175.3-175.41740113.9N29 K30 R31N29-K33 PolarHBondContact ND2-NZ 3.33Å; N29-K33 WeakPolarHBondContact O-CD 3.46Å; N29-K33 WeakPolarHBondContact O-CG 3.43Å; N29-K33 VanDerWaalsContact OD1-CE 3.25Å; N29-K33 WeakPolarHBondContact OD1-CE 3.34Å; N29-K33 PolarHBondContact OD1-NZ 3.44Å; K30-K33 PolarHBondContact O-N 2.62Å; K30-K33 VanDerWaalsContact O-N 3.13Å; R31-K33 PolarHBondContact O-N 2.95Å
34Q69.8Low84.9Confident116 Ų11674.8 Ų74.854%0.54240%0.399SS..Hα-helixtrans-87-25.1-176.3-79.2-170.6-53.200114.6K30 R31 D36K30-Q34 VanDerWaalsContact CE-OE1 3.23Å; K30-Q34 HydrophobicContact CG-CG 4.21Å; K30-Q34 WeakPolarHBondContact O-CB 3.44Å; K30-Q34 WeakPolarHBondContact O-CG 3.09Å; K30-Q34 PolarHBondContact O-N 3.35Å; R31-Q34 PolarHBondContact O-N 3.35Å; Q34-D36 PolarHBondContact O-N 2.54Å
35A61.3Low85Confident46 Ų4675.2 Ų75.238%0.3840%0.401SS..SBendtrans-55.6119.117600000108.4R31 V37R31-A35 PolarHBondContact O-N 3.39Å; A35-V37 WeakPolarHBondContact O-CG2 3.44Å; A35-V37 PolarHBondContact O-N 3.03Å
36D59.1Low85Confident156 Ų15670.5 Ų70.583%0.83439%0.387SS*.  trans-46104.8172.5-88.6-37.8000107.7Q34 Q38Q34-D36 PolarHBondContact O-N 2.54Å; D36-Q38 PolarHBondContact O-N 3.2Å
37V68.1Low85.1Confident85 Ų8570.9 Ų70.952%0.51539%0.391SS..  trans-78.978.7-172.1-172.30000106.4A35 A39A35-V37 WeakPolarHBondContact O-CG2 3.44Å; A35-V37 PolarHBondContact O-N 3.03Å; V37-A39 PolarHBondContact O-N 2.88Å
38Q79.8Confident85.3Confident138 Ų13870 Ų7065%0.64539%0.387SS*.  trans-55128159.9-63.3-176.70.700106.5D36 L101D36-Q38 PolarHBondContact O-N 3.2Å; Q38-L101 HydrophobicContact CB-CD1 4.15Å; Q38-L101 HydrophobicContact CB-CD2 3.58Å; Q38-L101 VanDerWaalsContact O-CD2 3.28Å; Q38-L101 WeakPolarHBondContact O-CD2 3.48Å
39A86.3Confident85.5Confident69 Ų6970 Ų7057%0.5739%0.387SS*.  trans-115.4137.2-175.700000109.1V37 N46V37-A39 PolarHBondContact O-N 2.88Å; A39-N46 WeakPolarHBondContact CA-OD1 3.3Å
40S91.6Very high85.6Confident7 Ų767.8 Ų67.85%0.04938%0.377CS..  trans-75155166.1151.90000109.9V42 N45 N46 L100 D103S40-V42 PolarHBondContact O-N 3.35Å; S40-V42 PolarHBondContact OG-N 2.88Å; S40-V42 PolarHBondContact OG-O 3.23Å; S40-N45 VanDerWaalsContact OG-CB 3.24Å; S40-N45 WeakPolarHBondContact OG-CB 3.44Å; S40-N45 PolarHBondContact OG-ND2 3.05Å; S40-N46 PolarHBondContact N-OD1 2.99Å; S40-N46 PolarHBondContact O-ND2 3.3Å; S40-L100 VanDerWaalsContact CB-O 3.3Å; S40-L100 WeakPolarHBondContact CB-O 3.5Å; S40-L100 PolarHBondContact OG-O 3Å; S40-D103 WeakPolarHBondContact CB-OD1 3.47Å; S40-D103 PolarHBondContact OG-OD1 3.37Å
41A92.7Very high85.9Confident94 Ų9464.2 Ų64.278%0.77736%0.362SS*.SBendtrans-69.9-18.2171.200000112.3D103A41-D103 WeakPolarHBondContact CB-OD2 3.04Å; A41-D103 PolarHBondContact N-OD2 3.34Å
42V93.3Very high86.3Confident59 Ų5963.5 Ų63.536%0.35836%0.36SS..SBendtrans-94.5119.2-179.6-178.90000110.1S40 E44 N45 N46 D103S40-V42 PolarHBondContact O-N 3.35Å; S40-V42 PolarHBondContact OG-N 2.88Å; S40-V42 PolarHBondContact OG-O 3.23Å; V42-E44 VanDerWaalsContact C-N 3.26Å; V42-E44 HydrophobicContact CG1-CB 4.12Å; V42-E44 PolarHBondContact O-N 3.5Å; V42-N45 HydrophobicContact CB-CB 4.18Å; V42-N45 WeakPolarHBondContact O-CB 3.35Å; V42-N45 PolarHBondContact O-N 3.47Å; V42-N45 VanDerWaalsContact O-N 3.14Å; V42-N46 PolarHBondContact O-N 2.72Å; V42-N46 PolarHBondContact O-ND2 3.44Å; V42-D103 HydrophobicContact CG2-CB 4.48Å
43S93.7Very high86.6Confident88 Ų8864.7 Ų64.762%0.61536%0.361SS*.Hα-helixtrans-59.6-35.1-17861.40000113.5N46 K47S43-N46 WeakPolarHBondContact O-CB 3.21Å; S43-N46 PolarHBondContact O-N 2.95Å; S43-K47 PolarHBondContact O-N 3.03Å
44E94Very high87.2Confident45 Ų4562.8 Ų62.821%0.2135%0.354CS..Hα-helixtrans-65.4-41.6177-168.1174.1-157.400112.1V42 N46 K47 V48 K151V42-E44 VanDerWaalsContact C-N 3.26Å; V42-E44 HydrophobicContact CG1-CB 4.12Å; V42-E44 PolarHBondContact O-N 3.5Å; E44-N46 VanDerWaalsContact C-N 3.29Å; E44-N46 PolarHBondContact O-N 3.5Å; E44-K47 WeakPolarHBondContact O-CB 3.3Å; E44-K47 PolarHBondContact O-N 2.7Å; E44-K47 VanDerWaalsContact O-N 3.12Å; E44-V48 WeakPolarHBondContact O-CG2 3.21Å; E44-V48 PolarHBondContact O-N 3.13Å; E44-V48 VanDerWaalsContact O-N 3.09Å; E44-K151 IonicContact OE1-NZ 2.66Å; E44-K151 WeakPolarHBondContact OE2-CD 3.46Å; E44-K151 IonicContact OE2-NZ 2.84Å; E44-K151 PolarHBondContact OE2-NZ 2.76Å
45N95.3Very high88.3Confident9 Ų958 Ų585%0.04833%0.332CS..Hα-helixtrans-60.9-40.9174.1-68.7-4.3000110.8S40 V42 K47 V48 L49 L100 D103S40-N45 VanDerWaalsContact OG-CB 3.24Å; S40-N45 WeakPolarHBondContact OG-CB 3.44Å; S40-N45 PolarHBondContact OG-ND2 3.05Å; V42-N45 HydrophobicContact CB-CB 4.18Å; V42-N45 WeakPolarHBondContact O-CB 3.35Å; V42-N45 PolarHBondContact O-N 3.47Å; V42-N45 VanDerWaalsContact O-N 3.14Å; N45-K47 VanDerWaalsContact C-N 3.32Å; N45-K47 PolarHBondContact O-N 3.1Å; N45-V48 PolarHBondContact O-N 2.81Å; N45-L49 WeakPolarHBondContact O-CB 3.2Å; N45-L49 VanDerWaalsContact O-CG 3.26Å; N45-L49 WeakPolarHBondContact O-CG 3.46Å; N45-L49 PolarHBondContact O-N 3.07Å; N45-L100 HydrophobicContact CB-CB 4.28Å; N45-L100 HydrophobicContact CB-CD2 4.03Å; N45-L100 PolarHBondContact ND2-O 3.22Å; N45-L100 VanDerWaalsContact ND2-O 3.11Å; N45-L100 WeakPolarHBondContact OD1-CD2 3.47Å; N45-D103 PolarHBondContact ND2-OD1 3.18Å
46N94.2Very high89.9Confident50 Ų5056 Ų5627%0.26732%0.317SS..Hα-helixtrans-63.3-35.8175.6-68.2-40.8000112.9A39 S40 V42 S43 E44 G50A39-N46 WeakPolarHBondContact CA-OD1 3.3Å; S40-N46 PolarHBondContact N-OD1 2.99Å; S40-N46 PolarHBondContact O-ND2 3.3Å; V42-N46 PolarHBondContact O-N 2.72Å; V42-N46 PolarHBondContact O-ND2 3.44Å; S43-N46 WeakPolarHBondContact O-CB 3.21Å; S43-N46 PolarHBondContact O-N 2.95Å; E44-N46 VanDerWaalsContact C-N 3.29Å; E44-N46 PolarHBondContact O-N 3.5Å; N46-G50 PolarHBondContact O-N 2.98Å
47K94.7Very high91.6Very high145 Ų14550 Ų5063%0.6329%0.286SS*.Hα-helixtrans-63.1-46.5173.4-69.9-179.5178.4-172.10111.4S43 E44 N45 G50 F51S43-K47 PolarHBondContact O-N 3.03Å; E44-K47 WeakPolarHBondContact O-CB 3.3Å; E44-K47 PolarHBondContact O-N 2.7Å; E44-K47 VanDerWaalsContact O-N 3.12Å; N45-K47 VanDerWaalsContact C-N 3.32Å; N45-K47 PolarHBondContact O-N 3.1Å; K47-G50 PolarHBondContact O-N 3.35Å; K47-F51 WeakPolarHBondContact O-CB 3.5Å; K47-F51 PolarHBondContact O-N 3.37Å
48V96.3Very high92.7Very high5 Ų546.7 Ų46.73%0.0327%0.265CS..Hα-helixtrans-65-44.3178.61790000111.1E44 N45 G50 F51 L52 L100 I145 W148E44-V48 WeakPolarHBondContact O-CG2 3.21Å; E44-V48 PolarHBondContact O-N 3.13Å; E44-V48 VanDerWaalsContact O-N 3.09Å; N45-V48 PolarHBondContact O-N 2.81Å; V48-G50 VanDerWaalsContact C-N 3.31Å; V48-G50 PolarHBondContact O-N 3.29Å; V48-F51 PolarHBondContact O-N 3.34Å; V48-L52 HydrophobicContact CG1-CD1 4.08Å; V48-L52 HydrophobicContact CG1-CG 4.38Å; V48-L52 WeakPolarHBondContact O-CB 3.47Å; V48-L52 VanDerWaalsContact O-CG 3.23Å; V48-L52 WeakPolarHBondContact O-CG 3.4Å; V48-L52 PolarHBondContact O-N 2.97Å; V48-L100 HydrophobicContact CB-CD1 4.18Å; V48-L100 HydrophobicContact CG1-CD1 3.76Å; V48-I145 HydrophobicContact CG1-CD1 4.43Å; V48-I145 HydrophobicContact CG2-CD1 4.28Å; V48-W148 HydrophobicContact CG1-CE3 4.29Å; V48-W148 HydrophobicContact CG1-CH2 4.15Å; V48-W148 HydrophobicContact CG1-CZ2 4.38Å; V48-W148 HydrophobicContact CG1-CZ3 4.1Å; V48-W148 HydrophobicContact CG2-CD2 3.58Å; V48-W148 HydrophobicContact CG2-CE3 3.99Å; V48-W148 HydrophobicContact CG2-CG 3.77Å; V48-W148 HydrophobicContact CG2-CZ2 4.41Å
49L94.5Very high93.4Very high18 Ų1840.6 Ų40.69%0.09424%0.237CC..Hα-helixtrans-59-42.3174.3-72.4168.1000111.8N45 R53 R97 L100 L101N45-L49 WeakPolarHBondContact O-CB 3.2Å; N45-L49 VanDerWaalsContact O-CG 3.26Å; N45-L49 WeakPolarHBondContact O-CG 3.46Å; N45-L49 PolarHBondContact O-N 3.07Å; L49-R53 WeakPolarHBondContact O-CB 3.46Å; L49-R53 PolarHBondContact O-N 2.61Å; L49-R53 VanDerWaalsContact O-N 3.16Å; L49-R97 HydrophobicContact CD2-CB 4.23Å; L49-R97 HydrophobicContact CD2-CG 3.96Å; L49-L100 HydrophobicContact CD1-CB 4.19Å; L49-L100 HydrophobicContact CD2-CB 4.06Å; L49-L100 HydrophobicContact CD2-CD1 3.93Å; L49-L100 HydrophobicContact CG-CB 4.07Å; L49-L100 HydrophobicContact CG-CD1 4.01Å; L49-L101 HydrophobicContact CD1-CD2 3.64Å; L49-L101 HydrophobicContact CD1-CG 4.03Å; L49-L101 HydrophobicContact CD2-CG 4.48Å
50G93.1Very high93.8Very high7 Ų738.6 Ų38.67%0.07222%0.218CC..Hα-helixtrans-59.5-53.217400000111.9N46 K47 V48 L52 R53 E54N46-G50 PolarHBondContact O-N 2.98Å; K47-G50 PolarHBondContact O-N 3.35Å; V48-G50 VanDerWaalsContact C-N 3.31Å; V48-G50 PolarHBondContact O-N 3.29Å; G50-L52 PolarHBondContact O-N 3.22Å; G50-R53 PolarHBondContact O-N 3.17Å; G50-R53 VanDerWaalsContact O-N 3.14Å; G50-E54 WeakPolarHBondContact O-CB 3.36Å; G50-E54 VanDerWaalsContact O-CG 3.28Å; G50-E54 WeakPolarHBondContact O-CG 3.46Å; G50-E54 PolarHBondContact O-N 3.25Å
51F95.1Very high94Very high21 Ų2139.5 Ų39.59%0.09222%0.221CC..Hα-helixtrans-52.4-51.9175.6169.6-94.2000112K47 V48 R53 E54 K55 M118 V137 E141 I145K47-F51 WeakPolarHBondContact O-CB 3.5Å; K47-F51 PolarHBondContact O-N 3.37Å; V48-F51 PolarHBondContact O-N 3.34Å; F51-R53 PolarHBondContact O-N 2.89Å; F51-E54 PolarHBondContact O-N 3.12Å; F51-K55 HydrophobicContact CD2-CG 3.82Å; F51-K55 HydrophobicContact CE1-CG 4.49Å; F51-K55 HydrophobicContact CE2-CD 4.35Å; F51-K55 HydrophobicContact CE2-CG 3.62Å; F51-K55 HydrophobicContact CG-CG 4.35Å; F51-K55 HydrophobicContact CZ-CG 3.98Å; F51-K55 WeakPolarHBondContact O-CB 3.42Å; F51-K55 VanDerWaalsContact O-CG 3.3Å; F51-K55 WeakPolarHBondContact O-CG 3.31Å; F51-K55 PolarHBondContact O-N 3.35Å; F51-M118 HydrophobicContact CZ-SD 4.24Å; F51-V137 HydrophobicContact CE2-CG1 3.99Å; F51-V137 HydrophobicContact CE2-CG2 3.95Å; F51-V137 HydrophobicContact CZ-CG1 4.07Å; F51-V137 HydrophobicContact CZ-CG2 3.74Å; F51-E141 HydrophobicContact CD2-CB 4.36Å; F51-E141 HydrophobicContact CE2-CB 3.98Å; F51-I145 HydrophobicContact CB-CD1 4.32Å; F51-I145 HydrophobicContact CD1-CD1 3.61Å; F51-I145 HydrophobicContact CD1-CG1 3.97Å; F51-I145 HydrophobicContact CD2-CD1 4.42Å; F51-I145 HydrophobicContact CD2-CG1 4.32Å; F51-I145 HydrophobicContact CE1-CD1 3.97Å; F51-I145 HydrophobicContact CE1-CG1 3.84Å; F51-I145 HydrophobicContact CE2-CG1 4.2Å; F51-I145 HydrophobicContact CG-CD1 3.86Å; F51-I145 HydrophobicContact CG-CG1 4.21Å; F51-I145 HydrophobicContact CZ-CG1 3.95Å
52L94.2Very high94Very high9 Ų935.5 Ų35.55%0.04719%0.187CC..Hα-helixtrans-59.6-34.8-178.6-70.3171.4000112.8V48 G50 C57 L93 V96 L100V48-L52 HydrophobicContact CG1-CD1 4.08Å; V48-L52 HydrophobicContact CG1-CG 4.38Å; V48-L52 WeakPolarHBondContact O-CB 3.47Å; V48-L52 VanDerWaalsContact O-CG 3.23Å; V48-L52 WeakPolarHBondContact O-CG 3.4Å; V48-L52 PolarHBondContact O-N 2.97Å; G50-L52 PolarHBondContact O-N 3.22Å; L52-C57 HydrophobicContact CD2-CB 4.17Å; L52-C57 WeakPolarHBondContact O-CB 3.39Å; L52-C57 PolarHBondContact O-N 3.45Å; L52-C57 VanDerWaalsContact O-N 3.12Å; L52-L93 HydrophobicContact CB-CD2 4.35Å; L52-L93 HydrophobicContact CD1-CD1 3.78Å; L52-L93 HydrophobicContact CD1-CG 4.45Å; L52-L93 HydrophobicContact CD2-CD1 3.92Å; L52-L93 HydrophobicContact CD2-CD2 4.41Å; L52-L93 HydrophobicContact CG-CD1 4.38Å; L52-V96 HydrophobicContact CD1-CG1 4.5Å; L52-L100 HydrophobicContact CD1-CD1 4.47Å
53R91.1Very high93.8Very high45 Ų4535.8 Ų35.817%0.1719%0.19CC..Hα-helixtrans-76.2-46.8177.1178.4178.563-140.9-1.3111.8R31 S32 L49 G50 F51 K55 G56R31-R53 PolarHBondContact NH2-O 3.09Å; S32-R53 VanDerWaalsContact O-CD 3.31Å; S32-R53 WeakPolarHBondContact O-CD 3.33Å; S32-R53 PolarHBondContact O-NE 3.04Å; L49-R53 WeakPolarHBondContact O-CB 3.46Å; L49-R53 PolarHBondContact O-N 2.61Å; L49-R53 VanDerWaalsContact O-N 3.16Å; G50-R53 PolarHBondContact O-N 3.17Å; G50-R53 VanDerWaalsContact O-N 3.14Å; F51-R53 PolarHBondContact O-N 2.89Å; R53-K55 VanDerWaalsContact C-N 3.34Å; R53-K55 PolarHBondContact O-N 3.31Å; R53-G56 PolarHBondContact O-N 3.23Å
54E92.3Very high93.4Very high106 Ų10636.3 Ų36.350%0.49519%0.194SC..Hα-helixtrans-66.1-35.8-177.1-73.3168.9-16300112.2G50 F51 G56G50-E54 WeakPolarHBondContact O-CB 3.36Å; G50-E54 VanDerWaalsContact O-CG 3.28Å; G50-E54 WeakPolarHBondContact O-CG 3.46Å; G50-E54 PolarHBondContact O-N 3.25Å; F51-E54 PolarHBondContact O-N 3.12Å; E54-G56 VanDerWaalsContact C-N 3.3Å
55K94.4Very high93Very high15 Ų1535.7 Ų35.77%0.06520%0.197CC..THydrogen-bonded Turntrans-81.2-10.2176.5-56.8-56.4170.5-179.20114.1F51 R53 Y128 K136 V137 E141F51-K55 HydrophobicContact CD2-CG 3.82Å; F51-K55 HydrophobicContact CE1-CG 4.49Å; F51-K55 HydrophobicContact CE2-CD 4.35Å; F51-K55 HydrophobicContact CE2-CG 3.62Å; F51-K55 HydrophobicContact CG-CG 4.35Å; F51-K55 HydrophobicContact CZ-CG 3.98Å; F51-K55 WeakPolarHBondContact O-CB 3.42Å; F51-K55 VanDerWaalsContact O-CG 3.3Å; F51-K55 WeakPolarHBondContact O-CG 3.31Å; F51-K55 PolarHBondContact O-N 3.35Å; R53-K55 VanDerWaalsContact C-N 3.34Å; R53-K55 PolarHBondContact O-N 3.31Å; K55-Y128 WeakPolarHBondContact O-CE1 3.15Å; K55-Y128 PolarHBondContact O-OH 3.2Å; K55-K136 PolarHBondContact NZ-O 2.89Å; K55-V137 HydrophobicContact CD-CG2 4.17Å; K55-V137 HydrophobicContact CG-CG2 4.11Å; K55-E141 WeakPolarHBondContact CE-OE1 3.32Å; K55-E141 WeakPolarHBondContact CE-OE2 3.37Å; K55-E141 IonicContact NZ-OE1 3.72Å; K55-E141 PolarHBondContact NZ-OE1 3.46Å; K55-E141 IonicContact NZ-OE2 2.61Å; K55-E141 PolarHBondContact NZ-OE2 3.21Å
56G93.4Very high92.6Very high6 Ų641.7 Ų41.76%0.06222%0.224CC..THydrogen-bonded Turntrans72.232.2178.600000114.4R53 E54 D58 Y59 Y128R53-G56 PolarHBondContact O-N 3.23Å; E54-G56 VanDerWaalsContact C-N 3.3Å; G56-D58 PolarHBondContact O-N 3.01Å; G56-Y59 WeakPolarHBondContact O-CB 3.25Å; G56-Y59 WeakPolarHBondContact O-CD2 3.28Å; G56-Y59 PolarHBondContact O-N 3.46Å; G56-Y59 VanDerWaalsContact O-N 3.11Å; G56-Y128 WeakPolarHBondContact CA-OH 3.3Å
57C95Very high92.5Very high28 Ų2840.8 Ų40.819%0.18922%0.219CC..THydrogen-bonded Turntrans-59-33.3178.3-55.80000112L52 Y59 C60 H61 L93L52-C57 HydrophobicContact CD2-CB 4.17Å; L52-C57 WeakPolarHBondContact O-CB 3.39Å; L52-C57 PolarHBondContact O-N 3.45Å; L52-C57 VanDerWaalsContact O-N 3.12Å; C57-Y59 VanDerWaalsContact C-N 3.3Å; C57-Y59 PolarHBondContact O-N 3.23Å; C57-C60 PolarHBondContact O-N 3.44Å; C57-H61 VanDerWaalsContact O-CB 3.26Å; C57-H61 WeakPolarHBondContact O-CB 3.47Å; C57-H61 PolarHBondContact O-CD2 2.9Å; C57-H61 PolarHBondContact O-N 3.02Å; C57-L93 HydrophobicContact CB-CD2 3.82Å
58D92.2Very high92.3Very high16 Ų1633.9 Ų33.99%0.08619%0.189CC..Hα-helixtrans-68.3-20.8177.649.4-15000115R31 G56 C60 T62 L93 R97R31-D58 IonicContact CZ-OD1 3.72Å; R31-D58 VanDerWaalsContact CZ-OD1 3.29Å; R31-D58 IonicContact CZ-OD2 2.98Å; R31-D58 IonicContact NH1-OD1 3.86Å; R31-D58 PolarHBondContact NH1-OD1 3.32Å; R31-D58 IonicContact NH1-OD2 3.92Å; R31-D58 PolarHBondContact NH1-OD2 2.85Å; R31-D58 IonicContact NH2-OD1 2.77Å; R31-D58 PolarHBondContact NH2-OD1 2.87Å; R31-D58 IonicContact NH2-OD2 2.67Å; G56-D58 PolarHBondContact O-N 3.01Å; D58-C60 PolarHBondContact O-N 3.01Å; D58-T62 HydrophobicContact CB-CG2 3.74Å; D58-T62 PolarHBondContact O-N 2.75Å; D58-T62 PolarHBondContact O-OG1 3.4Å; D58-L93 HydrophobicContact CB-CD2 4.4Å; D58-R97 VanDerWaalsContact CB-NH2 3.25Å; D58-R97 IonicContact OD1-NH2 2.99Å; D58-R97 IonicContact OD2-CZ 2.7Å; D58-R97 IonicContact OD2-NH1 3.12Å; D58-R97 IonicContact OD2-NH2 3.31Å; D58-R97 PolarHBondContact OD2-NH2 3.23Å
59Y93.3Very high92.1Very high10 Ų1036.3 Ų36.34%0.03921%0.21CC..Hα-helixtrans-53.4-34.5173.5-75.8-53.9000112.4H27 D28 R31 G56 C57 A65 E66 L67 I84 Y128 H132H27-Y59 PolarHBondContact CE1-OH 3.01Å; H27-Y59 VanDerWaalsContact CE1-OH 3.25Å; H27-Y59 PolarHBondContact ND1-OH 2.87Å; H27-Y59 VanDerWaalsContact ND1-OH 3.12Å; D28-Y59 PolarHBondContact OD1-OH 2.55Å; R31-Y59 VanDerWaalsContact CD-OH 3.32Å; R31-Y59 WeakPolarHBondContact CD-OH 3.4Å; R31-Y59 VanDerWaalsContact NE-CZ 3.34Å; R31-Y59 PolarHBondContact NE-OH 3.45Å; G56-Y59 WeakPolarHBondContact O-CB 3.25Å; G56-Y59 WeakPolarHBondContact O-CD2 3.28Å; G56-Y59 PolarHBondContact O-N 3.46Å; G56-Y59 VanDerWaalsContact O-N 3.11Å; C57-Y59 VanDerWaalsContact C-N 3.3Å; C57-Y59 PolarHBondContact O-N 3.23Å; Y59-A65 HydrophobicContact CD1-CB 4.25Å; Y59-E66 VanDerWaalsContact CE1-O 3.31Å; Y59-E66 WeakPolarHBondContact CE1-O 3.38Å; Y59-L67 HydrophobicContact CD1-CD2 4.03Å; Y59-I84 WeakPolarHBondContact O-CG1 3.22Å; Y59-Y128 AromaticContact CD2-CE2 3.69Å; Y59-Y128 HydrophobicContact CD2-CE2 3.69Å; Y59-Y128 HydrophobicContact CE2-CE2 4.22Å; Y59-H132 AromaticContact CE2-CE1 3.86Å
60C95.6Very high91.9Very high27 Ų2736.4 Ų36.418%0.18221%0.21CC..Hα-helixtrans-118.1-13.8-177.9-60.70000114.3C57 D58 G87 Y88C57-C60 PolarHBondContact O-N 3.44Å; D58-C60 PolarHBondContact O-N 3.01Å; C60-G87 CarbonylContact O-C 3.54Å; C60-G87 WeakPolarHBondContact O-CA 3.19Å; C60-Y88 WeakPolarHBondContact O-CA 3.25Å; C60-Y88 PolarHBondContact O-N 3.4Å
61H96.1Very high91.9Very high26 Ų2637.3 Ų37.312%0.1221%0.211CC..Hα-helixtrans-113.812-172.9-61.1-60.1000114.5C57 G87 F91 N92 L93C57-H61 VanDerWaalsContact O-CB 3.26Å; C57-H61 WeakPolarHBondContact O-CB 3.47Å; C57-H61 PolarHBondContact O-CD2 2.9Å; C57-H61 PolarHBondContact O-N 3.02Å; H61-G87 PolarHBondContact ND1-O 3.37Å; H61-F91 HydrophobicContact CB-CD1 4.14Å; H61-F91 AromaticContact CG-CD1 3.89Å; H61-F91 AromaticContact ND1-CD1 3.91Å; H61-F91 PolarHBondContact ND1-O 3.21Å; H61-N92 PolarHBondContact O-OD1 3.48Å; H61-L93 HydrophobicContact CB-CB 3.88Å; H61-L93 WeakPolarHBondContact O-CB 3.4Å; H61-L93 PolarHBondContact O-N 2.83Å
62T93Very high91.8Very high10 Ų1044 Ų446%0.06124%0.237CC..SBendtrans-121.1157167.956.30000110.2D58 S64 L93 E94D58-T62 HydrophobicContact CB-CG2 3.74Å; D58-T62 PolarHBondContact O-N 2.75Å; D58-T62 PolarHBondContact O-OG1 3.4Å; T62-S64 PolarHBondContact O-N 2.86Å; T62-S64 PolarHBondContact OG1-O 3.24Å; T62-L93 HydrophobicContact CG2-CB 4.17Å; T62-E94 HydrophobicContact CG2-CG 4.22Å
63P87.5Confident91.6Very high65 Ų6548 Ų4842%0.42226%0.257SS..SBendtrans-61.3-28.2-179.319.9-30.1000112.7Y88 E94P63-Y88 HydrophobicContact CB-CE1 3.98Å; P63-Y88 HydrophobicContact CB-CE2 4.2Å; P63-Y88 WeakPolarHBondContact CB-OH 3.42Å; P63-Y88 HydrophobicContact CG-CE2 4.42Å; P63-Y88 VanDerWaalsContact N-CE2 3.32Å; P63-E94 WeakPolarHBondContact CD-OE1 3.29Å; P63-E94 WeakPolarHBondContact CD-OE2 3.16Å; P63-E94 WeakPolarHBondContact CG-OE1 3.32Å
64S85.5Confident91.5Very high99 Ų9951.2 Ų51.269%0.69228%0.284SS*.  trans-145149.6173.462.70000110.3T62T62-S64 PolarHBondContact O-N 2.86Å; T62-S64 PolarHBondContact OG1-O 3.24Å
65A87Confident91.4Very high32 Ų3248 Ų4826%0.26428%0.279SS..  trans-146.6148.5170.900000107.8Y59 L67Y59-A65 HydrophobicContact CD1-CB 4.25Å; A65-L67 PolarHBondContact O-N 3.47Å
66E87.2Confident91.1Very high135 Ų13548.6 Ų48.663%0.63129%0.287SS*.PPolyproline II helixtrans-67.2117.1168.5-174.4178.6-175.200108.5Y59Y59-E66 VanDerWaalsContact CE1-O 3.31Å; Y59-E66 WeakPolarHBondContact CE1-O 3.38Å
67L91.2Very high91.2Very high31 Ų3151.6 Ų51.616%0.16230%0.298CS..PPolyproline II helixtrans-94.5142.3-175.9-62.4176.3000111.2Y59 A65 Y71 M80 I84Y59-L67 HydrophobicContact CD1-CD2 4.03Å; A65-L67 PolarHBondContact O-N 3.47Å; L67-Y71 HydrophobicContact CB-CD1 4.09Å; L67-Y71 HydrophobicContact CB-CG 3.93Å; L67-Y71 HydrophobicContact CD1-CD1 3.73Å; L67-Y71 HydrophobicContact CD1-CD2 3.6Å; L67-Y71 HydrophobicContact CD1-CE1 3.69Å; L67-Y71 HydrophobicContact CD1-CE2 3.55Å; L67-Y71 HydrophobicContact CD1-CG 3.67Å; L67-Y71 HydrophobicContact CG-CG 4.42Å; L67-M80 HydrophobicContact CD2-CE 4.48Å; L67-I84 HydrophobicContact CD1-CD1 3.85Å; L67-I84 HydrophobicContact CD2-CD1 3.88Å
68P91Very high91.1Very high0 Ų055.7 Ų55.70%032%0.315CS..PPolyproline II helixtrans-62.3151.3178.427-35.8000111.3Y23 Y70 Y71 M80Y23-P68 HydrophobicContact CE1-CB 4.31Å; P68-Y70 HydrophobicContact CB-CD1 3.65Å; P68-Y70 HydrophobicContact CB-CE1 3.4Å; P68-Y70 HydrophobicContact CG-CD1 3.76Å; P68-Y70 HydrophobicContact CG-CE1 3.09Å; P68-Y70 HydrophobicContact CG-CE2 4.43Å; P68-Y70 VanDerWaalsContact CG-CZ 3.47Å; P68-Y70 PolarHBondContact O-N 3.47Å; P68-Y71 WeakPolarHBondContact O-CB 3.45Å; P68-Y71 PolarHBondContact O-N 2.73Å; P68-M80 HydrophobicContact CG-CE 4.29Å
69A91.8Very high91.1Very high57 Ų5759.1 Ų59.147%0.47133%0.333SS..G310 helixtrans-57.8-29-171.700000114Y23 Y71 Y72Y23-A69 HydrophobicContact CE1-CB 4.45Å; Y23-A69 WeakPolarHBondContact OH-CB 3.16Å; Y23-A69 PolarHBondContact OH-N 3.3Å; A69-Y71 PolarHBondContact O-N 2.68Å; A69-Y72 PolarHBondContact O-N 3.25Å
70Y91.1Very high91.2Very high20 Ų2060.1 Ų60.18%0.07834%0.338CS..G310 helixtrans-66.6-16.7177.677.5-98.3000113.1L20 Y23 V24 P68 Y72 I73 A76 M80 L131 H132L20-Y70 HydrophobicContact CD1-CD1 4.12Å; L20-Y70 HydrophobicContact CD1-CG 4.11Å; Y23-Y70 HydrophobicContact CE1-CD1 4.25Å; V24-Y70 HydrophobicContact CG2-CD1 3.68Å; V24-Y70 HydrophobicContact CG2-CE1 3.37Å; P68-Y70 HydrophobicContact CB-CD1 3.65Å; P68-Y70 HydrophobicContact CB-CE1 3.4Å; P68-Y70 HydrophobicContact CG-CD1 3.76Å; P68-Y70 HydrophobicContact CG-CE1 3.09Å; P68-Y70 HydrophobicContact CG-CE2 4.43Å; P68-Y70 VanDerWaalsContact CG-CZ 3.47Å; P68-Y70 PolarHBondContact O-N 3.47Å; Y70-Y72 PolarHBondContact O-N 2.69Å; Y70-I73 VanDerWaalsContact O-CB 3.31Å; Y70-I73 WeakPolarHBondContact O-CB 3.36Å; Y70-I73 WeakPolarHBondContact O-CG1 3.36Å; Y70-I73 PolarHBondContact O-N 3.02Å; Y70-A76 HydrophobicContact CD2-CB 4.3Å; Y70-A76 WeakPolarHBondContact O-CB 3.34Å; Y70-M80 HydrophobicContact CD2-SD 4.1Å; Y70-M80 HydrophobicContact CE2-CE 4.08Å; Y70-M80 HydrophobicContact CE2-SD 3.4Å; Y70-M80 WeakPolarHBondContact CE2-SD 3.45Å; Y70-L131 HydrophobicContact CD2-CD1 4.36Å; Y70-L131 HydrophobicContact CE2-CD1 3.96Å; Y70-H132 AromaticContact CZ-NE2 3.93Å; Y70-H132 PolarHBondContact OH-NE2 3.36Å
71Y92.6Very high91.1Very high25 Ų2561.7 Ų61.710%0.09834%0.344CS..G310 helixtrans-52.4-36.5170.5167.8-105.7000111.9L67 P68 A69 I73 K77 M80 D81 I84L67-Y71 HydrophobicContact CB-CD1 4.09Å; L67-Y71 HydrophobicContact CB-CG 3.93Å; L67-Y71 HydrophobicContact CD1-CD1 3.73Å; L67-Y71 HydrophobicContact CD1-CD2 3.6Å; L67-Y71 HydrophobicContact CD1-CE1 3.69Å; L67-Y71 HydrophobicContact CD1-CE2 3.55Å; L67-Y71 HydrophobicContact CD1-CG 3.67Å; L67-Y71 HydrophobicContact CG-CG 4.42Å; P68-Y71 WeakPolarHBondContact O-CB 3.45Å; P68-Y71 PolarHBondContact O-N 2.73Å; A69-Y71 PolarHBondContact O-N 2.68Å; Y71-I73 PolarHBondContact O-N 3.27Å; Y71-K77 HydrophobicContact CD2-CG 4.38Å; Y71-K77 HydrophobicContact CE1-CG 4.21Å; Y71-K77 HydrophobicContact CE2-CG 3.89Å; Y71-K77 WeakPolarHBondContact O-CA 3.48Å; Y71-K77 WeakPolarHBondContact O-CB 3.43Å; Y71-K77 WeakPolarHBondContact O-CG 2.92Å; Y71-K77 PolarHBondContact O-N 2.94Å; Y71-K77 PolarHBondContact OH-NZ 3.34Å; Y71-M80 HydrophobicContact CD2-CB 3.76Å; Y71-M80 HydrophobicContact CD2-CE 3.75Å; Y71-M80 HydrophobicContact CD2-CG 4.38Å; Y71-M80 HydrophobicContact CD2-SD 3.76Å; Y71-M80 HydrophobicContact CE2-CB 4.03Å; Y71-M80 HydrophobicContact CG-CE 4.23Å; Y71-M80 HydrophobicContact CG-SD 4.34Å; Y71-D81 VanDerWaalsContact CE2-OD1 3.3Å; Y71-D81 WeakPolarHBondContact CE2-OD1 3.35Å; Y71-D81 VanDerWaalsContact CZ-OD1 3.32Å; Y71-D81 PolarHBondContact OH-OD1 3.36Å; Y71-I84 HydrophobicContact CE2-CD1 4.49Å
72Y92.2Very high91Very high161 Ų16167.2 Ų67.263%0.63137%0.365SS*.G310 helixtrans-78.5-4.8-178-60.3-74.2000113.8A69 Y70A69-Y72 PolarHBondContact O-N 3.25Å; Y70-Y72 PolarHBondContact O-N 2.69Å
73I91.2Very high91Very high93 Ų9368.1 Ų68.148%0.47737%0.37SS..SBendtrans-72.3128.9176.9-60.6175.2000109Y70 Y71 G75 A76 K77Y70-I73 VanDerWaalsContact O-CB 3.31Å; Y70-I73 WeakPolarHBondContact O-CB 3.36Å; Y70-I73 WeakPolarHBondContact O-CG1 3.36Å; Y70-I73 PolarHBondContact O-N 3.02Å; Y71-I73 PolarHBondContact O-N 3.27Å; I73-G75 PolarHBondContact O-N 2.86Å; I73-A76 HydrophobicContact CB-CB 4.31Å; I73-A76 PolarHBondContact O-N 3.12Å; I73-A76 VanDerWaalsContact O-N 3.12Å; I73-K77 PolarHBondContact O-N 3.23Å
74P88.2Confident91.3Very high113 Ų11366.8 Ų66.873%0.73436%0.359SS*.THydrogen-bonded Turntrans-53.6136.3173-25.834.6000111.8A76P74-A76 PolarHBondContact O-N 3.04Å
75G89Confident91.7Very high38 Ų3869.9 Ų69.939%0.39236%0.36SS..THydrogen-bonded Turntrans93.2-56.2-17000000112.2I73 Q78 L79I73-G75 PolarHBondContact O-N 2.86Å; G75-Q78 VanDerWaalsContact CA-OE1 3.25Å; G75-L79 WeakPolarHBondContact O-CG 3.21Å; G75-L79 PolarHBondContact O-N 3.21Å
76A90Very high92Very high28 Ų2870 Ų7023%0.23136%0.356CS..Hα-helixtrans-63.7-45.1176.600000111.1Y70 I73 P74 Q78 L79 M80Y70-A76 HydrophobicContact CD2-CB 4.3Å; Y70-A76 WeakPolarHBondContact O-CB 3.34Å; I73-A76 HydrophobicContact CB-CB 4.31Å; I73-A76 PolarHBondContact O-N 3.12Å; I73-A76 VanDerWaalsContact O-N 3.12Å; P74-A76 PolarHBondContact O-N 3.04Å; A76-Q78 PolarHBondContact O-N 2.98Å; A76-L79 PolarHBondContact O-N 2.87Å; A76-M80 WeakPolarHBondContact O-CB 3.33Å; A76-M80 VanDerWaalsContact O-CG 3.3Å; A76-M80 WeakPolarHBondContact O-CG 3.16Å; A76-M80 PolarHBondContact O-N 2.89Å
77K93.7Very high92.4Very high69 Ų6964.1 Ų64.130%0.333%0.331SS..Hα-helixtrans-52.8-52178.4-161.7-164.5-179.9-47.50112.5Y71 I73 L79 M80 D81Y71-K77 HydrophobicContact CD2-CG 4.38Å; Y71-K77 HydrophobicContact CE1-CG 4.21Å; Y71-K77 HydrophobicContact CE2-CG 3.89Å; Y71-K77 WeakPolarHBondContact O-CA 3.48Å; Y71-K77 WeakPolarHBondContact O-CB 3.43Å; Y71-K77 WeakPolarHBondContact O-CG 2.92Å; Y71-K77 PolarHBondContact O-N 2.94Å; Y71-K77 PolarHBondContact OH-NZ 3.34Å; I73-K77 PolarHBondContact O-N 3.23Å; K77-L79 VanDerWaalsContact C-N 3.34Å; K77-L79 PolarHBondContact O-N 3.34Å; K77-M80 PolarHBondContact O-N 2.82Å; K77-D81 IonicContact NZ-OD1 3.3Å; K77-D81 PolarHBondContact NZ-OD1 2.98Å; K77-D81 IonicContact NZ-OD2 2.64Å; K77-D81 PolarHBondContact NZ-OD2 3.33Å; K77-D81 WeakPolarHBondContact O-CB 3.32Å; K77-D81 PolarHBondContact O-N 3.3Å
78Q94Very high92.6Very high114 Ų11465.1 Ų65.153%0.53333%0.333SS..Hα-helixtrans-65-39.4-175.7-68.180.22.600111.9G75 A76 Y82G75-Q78 VanDerWaalsContact CA-OE1 3.25Å; A76-Q78 PolarHBondContact O-N 2.98Å; Q78-Y82 PolarHBondContact O-N 2.97Å; Q78-Y82 VanDerWaalsContact O-N 3.16Å
79L92.2Very high92.8Very high89 Ų8968.2 Ų68.247%0.46635%0.346SS..Hα-helixtrans-67.7-43.3177.3-67172.6000111.5G75 A76 K77 Y82 D83G75-L79 WeakPolarHBondContact O-CG 3.21Å; G75-L79 PolarHBondContact O-N 3.21Å; A76-L79 PolarHBondContact O-N 2.87Å; K77-L79 VanDerWaalsContact C-N 3.34Å; K77-L79 PolarHBondContact O-N 3.34Å; L79-Y82 PolarHBondContact O-N 3.25Å; L79-D83 PolarHBondContact O-N 3.33Å; L79-D83 VanDerWaalsContact O-N 3.13Å
80M94.2Very high92.9Very high30 Ų3066.6 Ų66.615%0.14833%0.332CS..Hα-helixtrans-67.5-43.6177.2-69.7176.171.600111.6L67 P68 Y70 Y71 A76 K77 Y82 D83 I84L67-M80 HydrophobicContact CD2-CE 4.48Å; P68-M80 HydrophobicContact CG-CE 4.29Å; Y70-M80 HydrophobicContact CD2-SD 4.1Å; Y70-M80 HydrophobicContact CE2-CE 4.08Å; Y70-M80 HydrophobicContact CE2-SD 3.4Å; Y70-M80 WeakPolarHBondContact CE2-SD 3.45Å; Y71-M80 HydrophobicContact CD2-CB 3.76Å; Y71-M80 HydrophobicContact CD2-CE 3.75Å; Y71-M80 HydrophobicContact CD2-CG 4.38Å; Y71-M80 HydrophobicContact CD2-SD 3.76Å; Y71-M80 HydrophobicContact CE2-CB 4.03Å; Y71-M80 HydrophobicContact CG-CE 4.23Å; Y71-M80 HydrophobicContact CG-SD 4.34Å; A76-M80 WeakPolarHBondContact O-CB 3.33Å; A76-M80 VanDerWaalsContact O-CG 3.3Å; A76-M80 WeakPolarHBondContact O-CG 3.16Å; A76-M80 PolarHBondContact O-N 2.89Å; K77-M80 PolarHBondContact O-N 2.82Å; M80-Y82 VanDerWaalsContact C-N 3.25Å; M80-Y82 PolarHBondContact O-N 3.16Å; M80-D83 PolarHBondContact O-N 2.96Å; M80-D83 VanDerWaalsContact O-N 3.1Å; M80-I84 HydrophobicContact CB-CD1 4.4Å; M80-I84 WeakPolarHBondContact O-CB 3.47Å; M80-I84 WeakPolarHBondContact O-CG1 3.21Å; M80-I84 PolarHBondContact O-N 3.03Å
81D94.3Very high93.2Very high60 Ų6066.6 Ų66.632%0.32133%0.332SS..Hα-helixtrans-55.7-42.3175.4-76-21.1000111.5Y71 K77 K85Y71-D81 VanDerWaalsContact CE2-OD1 3.3Å; Y71-D81 WeakPolarHBondContact CE2-OD1 3.35Å; Y71-D81 VanDerWaalsContact CZ-OD1 3.32Å; Y71-D81 PolarHBondContact OH-OD1 3.36Å; K77-D81 IonicContact NZ-OD1 3.3Å; K77-D81 PolarHBondContact NZ-OD1 2.98Å; K77-D81 IonicContact NZ-OD2 2.64Å; K77-D81 PolarHBondContact NZ-OD2 3.33Å; K77-D81 WeakPolarHBondContact O-CB 3.32Å; K77-D81 PolarHBondContact O-N 3.3Å; D81-K85 WeakPolarHBondContact O-CB 3.12Å; D81-K85 PolarHBondContact O-N 2.73Å
82Y93.4Very high93.3Very high142 Ų14266.8 Ų66.856%0.55734%0.335SS*.Hα-helixtrans-61.5-48.6175.3174.5-89.2000111.8Q78 L79 M80 K85 L86Q78-Y82 PolarHBondContact O-N 2.97Å; Q78-Y82 VanDerWaalsContact O-N 3.16Å; L79-Y82 PolarHBondContact O-N 3.25Å; M80-Y82 VanDerWaalsContact C-N 3.25Å; M80-Y82 PolarHBondContact O-N 3.16Å; Y82-K85 PolarHBondContact O-N 3.06Å; Y82-L86 HydrophobicContact CE1-CD2 4.08Å; Y82-L86 WeakPolarHBondContact O-CB 3.14Å; Y82-L86 PolarHBondContact O-N 2.84Å
83D93.7Very high93.5Very high29 Ų2959.1 Ų59.116%0.15531%0.305CS..Hα-helixtrans-66.6-42-179.2-81.9-23.6000113L79 M80 L86 G87 R127L79-D83 PolarHBondContact O-N 3.33Å; L79-D83 VanDerWaalsContact O-N 3.13Å; M80-D83 PolarHBondContact O-N 2.96Å; M80-D83 VanDerWaalsContact O-N 3.1Å; D83-L86 PolarHBondContact O-N 3.3Å; D83-G87 WeakPolarHBondContact O-CA 3.45Å; D83-G87 PolarHBondContact O-N 2.78Å; D83-R127 IonicContact OD1-CZ 3.55Å; D83-R127 IonicContact OD1-NE 3.85Å; D83-R127 IonicContact OD1-NH2 3.03Å; D83-R127 PolarHBondContact OD1-NH2 3.34Å; D83-R127 IonicContact OD2-CZ 3.52Å; D83-R127 IonicContact OD2-NE 2.86Å; D83-R127 PolarHBondContact OD2-NE 3.22Å; D83-R127 IonicContact OD2-NH2 3.04Å; D83-R127 PolarHBondContact OD2-NH2 3.25Å
84I94.9Very high93.6Very high37 Ų3758.8 Ų58.819%0.1930%0.301CS..Hα-helixtrans-63.6-47.4177.6-66.2168.1000109.4Y59 L67 Y71 M80 L86 G87 Y88Y59-I84 WeakPolarHBondContact O-CG1 3.22Å; L67-I84 HydrophobicContact CD1-CD1 3.85Å; L67-I84 HydrophobicContact CD2-CD1 3.88Å; Y71-I84 HydrophobicContact CE2-CD1 4.49Å; M80-I84 HydrophobicContact CB-CD1 4.4Å; M80-I84 WeakPolarHBondContact O-CB 3.47Å; M80-I84 WeakPolarHBondContact O-CG1 3.21Å; M80-I84 PolarHBondContact O-N 3.03Å; I84-L86 PolarHBondContact O-N 3.17Å; I84-G87 PolarHBondContact O-N 3.13Å; I84-Y88 WeakPolarHBondContact O-CB 3.35Å; I84-Y88 PolarHBondContact O-N 3.17Å
85K93.2Very high93.9Very high165 Ų16556 Ų5672%0.71729%0.288SS*.Hα-helixtrans-61.5-45.2178.2-174.7175.6-179.4178.20111.7D81 Y82 K89D81-K85 WeakPolarHBondContact O-CB 3.12Å; D81-K85 PolarHBondContact O-N 2.73Å; Y82-K85 PolarHBondContact O-N 3.06Å; K85-K89 WeakPolarHBondContact O-CB 3.38Å; K85-K89 PolarHBondContact O-N 3.42Å
86L93.3Very high94.2Very high35 Ų3554.2 Ų54.218%0.18327%0.269CS..Hα-helixtrans-68.5-41.7178.5-179.259.1000111.9Y82 D83 I84 S90 L368Y82-L86 HydrophobicContact CE1-CD2 4.08Å; Y82-L86 WeakPolarHBondContact O-CB 3.14Å; Y82-L86 PolarHBondContact O-N 2.84Å; D83-L86 PolarHBondContact O-N 3.3Å; I84-L86 PolarHBondContact O-N 3.17Å; L86-S90 WeakPolarHBondContact O-CB 3.27Å; L86-S90 PolarHBondContact O-N 2.81Å; L86-S90 PolarHBondContact O-OG 3.43Å; L86-L368 WeakPolarHBondContact CD1-O 3.45Å
87G95.4Very high94.5Very high10 Ų1055.4 Ų55.410%0.10327%0.268CS..Hα-helixtrans-59.6-49.9177.600000111.7C60 H61 D83 I84 S90 F91C60-G87 CarbonylContact O-C 3.54Å; C60-G87 WeakPolarHBondContact O-CA 3.19Å; H61-G87 PolarHBondContact ND1-O 3.37Å; D83-G87 WeakPolarHBondContact O-CA 3.45Å; D83-G87 PolarHBondContact O-N 2.78Å; I84-G87 PolarHBondContact O-N 3.13Å; G87-S90 WeakPolarHBondContact O-CB 3.33Å; G87-S90 PolarHBondContact O-N 2.76Å; G87-S90 VanDerWaalsContact O-N 3.09Å; G87-F91 PolarHBondContact O-N 2.99Å
88Y95.1Very high94.6Very high52 Ų5255 Ų5520%0.20428%0.277CS..Hα-helixtrans-73-32.5-177.4-171.2-124000112.4C60 P63 I84 S90 N92 R392C60-Y88 WeakPolarHBondContact O-CA 3.25Å; C60-Y88 PolarHBondContact O-N 3.4Å; P63-Y88 HydrophobicContact CB-CE1 3.98Å; P63-Y88 HydrophobicContact CB-CE2 4.2Å; P63-Y88 WeakPolarHBondContact CB-OH 3.42Å; P63-Y88 HydrophobicContact CG-CE2 4.42Å; P63-Y88 VanDerWaalsContact N-CE2 3.32Å; I84-Y88 WeakPolarHBondContact O-CB 3.35Å; I84-Y88 PolarHBondContact O-N 3.17Å; Y88-S90 VanDerWaalsContact C-N 3.3Å; Y88-S90 PolarHBondContact O-N 3.11Å; Y88-N92 HydrophobicContact CE2-CB 4.04Å; Y88-R392 HydrophobicContact CE1-CG 4.27Å; Y88-R392 PolarHBondContact O-NE 3.06Å; Y88-R392 PolarHBondContact O-NH2 2.84Å
89K94.6Very high94.7Very high65 Ų6550.3 Ų50.328%0.28326%0.258SS..Hα-helixtrans-62.3-37.3167.9-171.8-178.6-174.8-176.90111.5K85 P365 G367 L368 R396K85-K89 WeakPolarHBondContact O-CB 3.38Å; K85-K89 PolarHBondContact O-N 3.42Å; K89-P365 HydrophobicContact CG-CG 4.11Å; K89-G367 PolarHBondContact NZ-O 3Å; K89-L368 HydrophobicContact CB-CD1 4.43Å; K89-L368 HydrophobicContact CD-CD1 4.23Å; K89-L368 HydrophobicContact CG-CD1 3.9Å; K89-R396 PolarHBondContact O-NH2 2.84Å
90S95.1Very high94.9Very high24 Ų2446 Ų4617%0.16824%0.235CC..Hα-helixtrans-77.8-38.7-177.9-55.60000113.1L86 G87 Y88 K113L86-S90 WeakPolarHBondContact O-CB 3.27Å; L86-S90 PolarHBondContact O-N 2.81Å; L86-S90 PolarHBondContact O-OG 3.43Å; G87-S90 WeakPolarHBondContact O-CB 3.33Å; G87-S90 PolarHBondContact O-N 2.76Å; G87-S90 VanDerWaalsContact O-N 3.09Å; Y88-S90 VanDerWaalsContact C-N 3.3Å; Y88-S90 PolarHBondContact O-N 3.11Å; S90-K113 PolarHBondContact O-NZ 2.92Å; S90-K113 VanDerWaalsContact O-NZ 3.12Å
91F96.4Very high95Very high20 Ų2046.9 Ų46.99%0.08824%0.24CC..  trans-156.9132.2-169.7-176.5-123.7000111.4H61 G87 L93 V96 D110 K113 I114H61-F91 HydrophobicContact CB-CD1 4.14Å; H61-F91 AromaticContact CG-CD1 3.89Å; H61-F91 AromaticContact ND1-CD1 3.91Å; H61-F91 PolarHBondContact ND1-O 3.21Å; G87-F91 PolarHBondContact O-N 2.99Å; F91-L93 HydrophobicContact CE1-CD1 3.8Å; F91-L93 HydrophobicContact CZ-CD1 4.28Å; F91-V96 HydrophobicContact CE2-CG2 4.27Å; F91-V96 HydrophobicContact CZ-CG2 3.84Å; F91-D110 HydrophobicContact CE2-CB 3.85Å; F91-D110 WeakPolarHBondContact CE2-OD1 3.47Å; F91-D110 HydrophobicContact CZ-CB 4.41Å; F91-K113 HydrophobicContact CD2-CB 4.25Å; F91-K113 HydrophobicContact CD2-CD 3.67Å; F91-K113 HydrophobicContact CE2-CB 4.32Å; F91-K113 HydrophobicContact CE2-CD 4.27Å; F91-I114 HydrophobicContact CE1-CG1 4.19Å; F91-I114 HydrophobicContact CZ-CD1 3.97Å; F91-I114 HydrophobicContact CZ-CG1 3.77Å
92N95Very high95.1Very high29 Ų2946.5 Ų46.516%0.15525%0.246CC..  trans-108.8114.2172.7-1763.6000109.4H61 Y88 E94H61-N92 PolarHBondContact O-OD1 3.48Å; Y88-N92 HydrophobicContact CE2-CB 4.04Å; N92-E94 VanDerWaalsContact C-N 3.31Å; N92-E94 PolarHBondContact ND2-OE2 3.5Å; N92-E94 VanDerWaalsContact ND2-OE2 3.08Å; N92-E94 PolarHBondContact O-N 3.25Å; N92-E94 WeakPolarHBondContact OD1-CB 3.42Å; N92-E94 WeakPolarHBondContact OD1-CG 3.45Å; N92-E94 PolarHBondContact OD1-N 3.24Å; N92-E94 PolarHBondContact OD1-OE2 3.4Å
93L95.6Very high95.2Very high0 Ų042.9 Ų42.90%024%0.236CC..Hα-helixtrans-76.1-16.9-178.4-168.159.8000113.2L52 C57 D58 H61 T62 F91 A95 V96 R97L52-L93 HydrophobicContact CB-CD2 4.35Å; L52-L93 HydrophobicContact CD1-CD1 3.78Å; L52-L93 HydrophobicContact CD1-CG 4.45Å; L52-L93 HydrophobicContact CD2-CD1 3.92Å; L52-L93 HydrophobicContact CD2-CD2 4.41Å; L52-L93 HydrophobicContact CG-CD1 4.38Å; C57-L93 HydrophobicContact CB-CD2 3.82Å; D58-L93 HydrophobicContact CB-CD2 4.4Å; H61-L93 HydrophobicContact CB-CB 3.88Å; H61-L93 WeakPolarHBondContact O-CB 3.4Å; H61-L93 PolarHBondContact O-N 2.83Å; T62-L93 HydrophobicContact CG2-CB 4.17Å; F91-L93 HydrophobicContact CE1-CD1 3.8Å; F91-L93 HydrophobicContact CZ-CD1 4.28Å; L93-A95 VanDerWaalsContact C-N 3.35Å; L93-A95 PolarHBondContact O-N 2.85Å; L93-V96 HydrophobicContact CD1-CB 4.19Å; L93-V96 HydrophobicContact CD1-CG1 4.44Å; L93-V96 PolarHBondContact O-N 3.03Å; L93-R97 HydrophobicContact CG-CG 4.14Å; L93-R97 WeakPolarHBondContact O-CG 3.39Å; L93-R97 PolarHBondContact O-N 2.82Å
94E94.2Very high95.4Very high86 Ų8647.9 Ų47.940%0.40226%0.256SS..Hα-helixtrans-60.7-42.5-177.2-68.2177.113800112.4T62 P63 N92 V96 R97 A98T62-E94 HydrophobicContact CG2-CG 4.22Å; P63-E94 WeakPolarHBondContact CD-OE1 3.29Å; P63-E94 WeakPolarHBondContact CD-OE2 3.16Å; P63-E94 WeakPolarHBondContact CG-OE1 3.32Å; N92-E94 VanDerWaalsContact C-N 3.31Å; N92-E94 PolarHBondContact ND2-OE2 3.5Å; N92-E94 VanDerWaalsContact ND2-OE2 3.08Å; N92-E94 PolarHBondContact O-N 3.25Å; N92-E94 WeakPolarHBondContact OD1-CB 3.42Å; N92-E94 WeakPolarHBondContact OD1-CG 3.45Å; N92-E94 PolarHBondContact OD1-N 3.24Å; N92-E94 PolarHBondContact OD1-OE2 3.4Å; E94-V96 VanDerWaalsContact C-N 3.33Å; E94-V96 PolarHBondContact O-N 3.26Å; E94-R97 PolarHBondContact O-N 3.37Å; E94-A98 VanDerWaalsContact O-CB 3.28Å; E94-A98 WeakPolarHBondContact O-CB 3.47Å; E94-A98 PolarHBondContact O-N 3.26Å
95A93.7Very high95.4Very high54 Ų5448.8 Ų48.845%0.44627%0.265SS..Hα-helixtrans-63.3-40.8178.700000111.7L93 A99L93-A95 VanDerWaalsContact C-N 3.35Å; L93-A95 PolarHBondContact O-N 2.85Å; A95-A99 WeakPolarHBondContact O-CB 3.42Å; A95-A99 PolarHBondContact O-N 3.07Å
96V96.5Very high95.6Very high0 Ų041 Ų410%023%0.23CC..Hα-helixtrans-64.3-48.4175.6178.60000110.7L52 F91 L93 E94 A98 A99 L100 V106 D110 I114L52-V96 HydrophobicContact CD1-CG1 4.5Å; F91-V96 HydrophobicContact CE2-CG2 4.27Å; F91-V96 HydrophobicContact CZ-CG2 3.84Å; L93-V96 HydrophobicContact CD1-CB 4.19Å; L93-V96 HydrophobicContact CD1-CG1 4.44Å; L93-V96 PolarHBondContact O-N 3.03Å; E94-V96 VanDerWaalsContact C-N 3.33Å; E94-V96 PolarHBondContact O-N 3.26Å; V96-A98 PolarHBondContact O-N 2.78Å; V96-A99 PolarHBondContact O-N 3.16Å; V96-L100 HydrophobicContact CG1-CD1 3.96Å; V96-L100 HydrophobicContact CG1-CG 4.41Å; V96-L100 VanDerWaalsContact O-CG 3.29Å; V96-L100 WeakPolarHBondContact O-CG 3.28Å; V96-L100 PolarHBondContact O-N 3.12Å; V96-V106 HydrophobicContact CB-CG1 4.33Å; V96-V106 HydrophobicContact CG1-CG1 3.98Å; V96-V106 HydrophobicContact CG1-CG2 4.08Å; V96-V106 HydrophobicContact CG2-CG1 3.9Å; V96-D110 HydrophobicContact CG2-CB 3.62Å; V96-I114 HydrophobicContact CG1-CD1 4.35Å
97R95.1Very high95.7Very high54 Ų5441.3 Ų41.320%0.20424%0.236CC..Hα-helixtrans-59.8-47.1178-76174.1169.8-172.3-6.8111.4L49 D58 L93 E94 A99 L100 L101L49-R97 HydrophobicContact CD2-CB 4.23Å; L49-R97 HydrophobicContact CD2-CG 3.96Å; D58-R97 VanDerWaalsContact CB-NH2 3.25Å; D58-R97 IonicContact OD1-NH2 2.99Å; D58-R97 IonicContact OD2-CZ 2.7Å; D58-R97 IonicContact OD2-NH1 3.12Å; D58-R97 IonicContact OD2-NH2 3.31Å; D58-R97 PolarHBondContact OD2-NH2 3.23Å; L93-R97 HydrophobicContact CG-CG 4.14Å; L93-R97 WeakPolarHBondContact O-CG 3.39Å; L93-R97 PolarHBondContact O-N 2.82Å; E94-R97 PolarHBondContact O-N 3.37Å; R97-A99 VanDerWaalsContact C-N 3.34Å; R97-A99 PolarHBondContact O-N 2.78Å; R97-L100 PolarHBondContact O-N 2.69Å; R97-L101 WeakPolarHBondContact O-CB 3.03Å; R97-L101 VanDerWaalsContact O-CG 3.23Å; R97-L101 WeakPolarHBondContact O-CG 3.22Å; R97-L101 PolarHBondContact O-N 2.92Å
98A95.5Very high95.7Very high59 Ų5941.3 Ų41.349%0.48823%0.233SC..Hα-helixtrans-61.7-41.6178.400000112E94 V96 A102E94-A98 VanDerWaalsContact O-CB 3.28Å; E94-A98 WeakPolarHBondContact O-CB 3.47Å; E94-A98 PolarHBondContact O-N 3.26Å; V96-A98 PolarHBondContact O-N 2.78Å; A98-A102 WeakPolarHBondContact O-CB 3.26Å; A98-A102 PolarHBondContact O-N 3.09Å
99A97Very high95.8Very high16 Ų1638.9 Ų38.913%0.13222%0.224CC..Hα-helixtrans-63.1-48.7175.900000111.7A95 V96 R97 L101 A102 D103 K104 V106A95-A99 WeakPolarHBondContact O-CB 3.42Å; A95-A99 PolarHBondContact O-N 3.07Å; V96-A99 PolarHBondContact O-N 3.16Å; R97-A99 VanDerWaalsContact C-N 3.34Å; R97-A99 PolarHBondContact O-N 2.78Å; A99-L101 PolarHBondContact O-N 3.12Å; A99-A102 CarbonylContact O-C 3.52Å; A99-A102 PolarHBondContact O-N 2.93Å; A99-D103 PolarHBondContact O-N 2.71Å; A99-D103 VanDerWaalsContact O-N 3.11Å; A99-K104 CarbonylContact C-O 3.44Å; A99-K104 HydrophobicContact CB-CB 4.43Å; A99-K104 PolarHBondContact O-N 3.11Å; A99-V106 HydrophobicContact CB-CG2 4.25Å
100L96.6Very high95.9Very high0 Ų036.9 Ų36.90%022%0.216CC..Hα-helixtrans-60.1-44.8178.5-70.5174.1000112.3S40 N45 V48 L49 L52 V96 R97 A102 D103 V106 W148S40-L100 VanDerWaalsContact CB-O 3.3Å; S40-L100 WeakPolarHBondContact CB-O 3.5Å; S40-L100 PolarHBondContact OG-O 3Å; N45-L100 HydrophobicContact CB-CB 4.28Å; N45-L100 HydrophobicContact CB-CD2 4.03Å; N45-L100 PolarHBondContact ND2-O 3.22Å; N45-L100 VanDerWaalsContact ND2-O 3.11Å; N45-L100 WeakPolarHBondContact OD1-CD2 3.47Å; V48-L100 HydrophobicContact CB-CD1 4.18Å; V48-L100 HydrophobicContact CG1-CD1 3.76Å; L49-L100 HydrophobicContact CD1-CB 4.19Å; L49-L100 HydrophobicContact CD2-CB 4.06Å; L49-L100 HydrophobicContact CD2-CD1 3.93Å; L49-L100 HydrophobicContact CG-CB 4.07Å; L49-L100 HydrophobicContact CG-CD1 4.01Å; L52-L100 HydrophobicContact CD1-CD1 4.47Å; V96-L100 HydrophobicContact CG1-CD1 3.96Å; V96-L100 HydrophobicContact CG1-CG 4.41Å; V96-L100 VanDerWaalsContact O-CG 3.29Å; V96-L100 WeakPolarHBondContact O-CG 3.28Å; V96-L100 PolarHBondContact O-N 3.12Å; R97-L100 PolarHBondContact O-N 2.69Å; L100-A102 VanDerWaalsContact C-N 3.3Å; L100-A102 PolarHBondContact O-N 2.84Å; L100-D103 PolarHBondContact O-N 2.71Å; L100-V106 HydrophobicContact CD2-CG2 3.8Å; L100-V106 HydrophobicContact CG-CG2 3.92Å; L100-W148 HydrophobicContact CD2-CZ2 3.79Å
101L95.8Very high96.1Very high47 Ų4735.8 Ų35.825%0.24621%0.208CC..Hα-helixtrans-65.9-32.8178.1-72.5169.9000112.9Q38 L49 R97 A99 D103Q38-L101 HydrophobicContact CB-CD1 4.15Å; Q38-L101 HydrophobicContact CB-CD2 3.58Å; Q38-L101 VanDerWaalsContact O-CD2 3.28Å; Q38-L101 WeakPolarHBondContact O-CD2 3.48Å; L49-L101 HydrophobicContact CD1-CD2 3.64Å; L49-L101 HydrophobicContact CD1-CG 4.03Å; L49-L101 HydrophobicContact CD2-CG 4.48Å; R97-L101 WeakPolarHBondContact O-CB 3.03Å; R97-L101 VanDerWaalsContact O-CG 3.23Å; R97-L101 WeakPolarHBondContact O-CG 3.22Å; R97-L101 PolarHBondContact O-N 2.92Å; A99-L101 PolarHBondContact O-N 3.12Å; L101-D103 VanDerWaalsContact C-N 3.29Å
102A96.6Very high96.1Very high53 Ų5335 Ų3544%0.43821%0.205SC..THydrogen-bonded Turntrans-87.96.6177.500000113.4A98 A99 L100 K104A98-A102 WeakPolarHBondContact O-CB 3.26Å; A98-A102 PolarHBondContact O-N 3.09Å; A99-A102 CarbonylContact O-C 3.52Å; A99-A102 PolarHBondContact O-N 2.93Å; L100-A102 VanDerWaalsContact C-N 3.3Å; L100-A102 PolarHBondContact O-N 2.84Å; A102-K104 HydrophobicContact CB-CD 4.16Å; A102-K104 HydrophobicContact CB-CG 4.17Å; A102-K104 PolarHBondContact O-N 2.64Å
103D96.1Very high96.3Very high65 Ų6534.7 Ų34.735%0.34820%0.203SC..THydrogen-bonded Turntrans53.235.9-175.5-59.4-41.1000113.2S40 A41 V42 N45 A99 L100 L101S40-D103 WeakPolarHBondContact CB-OD1 3.47Å; S40-D103 PolarHBondContact OG-OD1 3.37Å; A41-D103 WeakPolarHBondContact CB-OD2 3.04Å; A41-D103 PolarHBondContact N-OD2 3.34Å; V42-D103 HydrophobicContact CG2-CB 4.48Å; N45-D103 PolarHBondContact ND2-OD1 3.18Å; A99-D103 PolarHBondContact O-N 2.71Å; A99-D103 VanDerWaalsContact O-N 3.11Å; L100-D103 PolarHBondContact O-N 2.71Å; L101-D103 VanDerWaalsContact C-N 3.29Å
104K96.9Very high96.4Very high135 Ų13535.3 Ų35.359%0.58721%0.206SC*.PPolyproline II helixtrans-103.9150.7177.7-71.8-179.9-177179.30110.6A99 A102 V106A99-K104 CarbonylContact C-O 3.44Å; A99-K104 HydrophobicContact CB-CB 4.43Å; A99-K104 PolarHBondContact O-N 3.11Å; A102-K104 HydrophobicContact CB-CD 4.16Å; A102-K104 HydrophobicContact CB-CG 4.17Å; A102-K104 PolarHBondContact O-N 2.64Å; K104-V106 PolarHBondContact O-N 2.71Å
105P95.9Very high96.6Very high56 Ų5631.9 Ų31.936%0.36419%0.19SC..PPolyproline II helixtrans-61131.8176.727-36000110.8Y156P105-Y156 HydrophobicContact CB-CD1 4.12Å; P105-Y156 HydrophobicContact CB-CD2 3.64Å; P105-Y156 HydrophobicContact CB-CE2 4.11Å; P105-Y156 HydrophobicContact CB-CG 3.65Å; P105-Y156 HydrophobicContact CG-CG 4.45Å
106V97.4Very high96.8Very high0 Ų030.4 Ų30.40%017%0.172CC..PPolyproline II helixtrans-68.1139.4172.8176.90000109V96 A99 L100 K104 D110 L111 W148 Y157V96-V106 HydrophobicContact CB-CG1 4.33Å; V96-V106 HydrophobicContact CG1-CG1 3.98Å; V96-V106 HydrophobicContact CG1-CG2 4.08Å; V96-V106 HydrophobicContact CG2-CG1 3.9Å; A99-V106 HydrophobicContact CB-CG2 4.25Å; L100-V106 HydrophobicContact CD2-CG2 3.8Å; L100-V106 HydrophobicContact CG-CG2 3.92Å; K104-V106 PolarHBondContact O-N 2.71Å; V106-D110 HydrophobicContact CG1-CB 3.94Å; V106-L111 HydrophobicContact CB-CD2 3.94Å; V106-L111 HydrophobicContact CB-CG 4.1Å; V106-L111 HydrophobicContact CG1-CD2 3.95Å; V106-L111 HydrophobicContact CG1-CG 3.98Å; V106-W148 HydrophobicContact CB-CH2 4.48Å; V106-W148 HydrophobicContact CG2-CH2 4.08Å; V106-W148 HydrophobicContact CG2-CZ2 4Å; V106-Y157 WeakPolarHBondContact O-CE2 3.3Å; V106-Y157 PolarHBondContact O-OH 2.72Å
107S95.8Very high96.9Very high43 Ų4331.8 Ų31.830%0.30118%0.181SC..PPolyproline II helixtrans-57142.9-176.992.40000111.7S109 D110 L111S107-S109 VanDerWaalsContact C-N 3.27Å; S107-S109 PolarHBondContact O-N 3.14Å; S107-D110 PolarHBondContact O-N 3.2Å; S107-D110 VanDerWaalsContact O-N 3.11Å; S107-D110 WeakPolarHBondContact OG-CB 3.49Å; S107-D110 PolarHBondContact OG-N 3.23Å; S107-D110 VanDerWaalsContact OG-N 3.16Å; S107-D110 PolarHBondContact OG-OD2 2.71Å; S107-L111 WeakPolarHBondContact O-CG 3.44Å; S107-L111 PolarHBondContact O-N 3.27Å
108Q95.5Very high97Very high9 Ų929.7 Ų29.74%0.04217%0.174CC..Hα-helixtrans-57.9-39.4179-72.1-173.738.700112.6D110 L111 N112 Y157 R361Q108-D110 VanDerWaalsContact C-N 3.3Å; Q108-D110 PolarHBondContact O-N 3.26Å; Q108-L111 PolarHBondContact O-N 3.36Å; Q108-N112 WeakPolarHBondContact O-CB 3.45Å; Q108-N112 PolarHBondContact O-N 3.14Å; Q108-N112 PolarHBondContact O-ND2 3.05Å; Q108-N112 PolarHBondContact O-OD1 3.35Å; Q108-N112 VanDerWaalsContact O-OD1 3.05Å; Q108-Y157 HydrophobicContact CG-CD1 3.75Å; Q108-Y157 HydrophobicContact CG-CD2 3.45Å; Q108-Y157 VanDerWaalsContact CG-CD2 3.45Å; Q108-Y157 HydrophobicContact CG-CE1 3.83Å; Q108-Y157 HydrophobicContact CG-CE2 3.56Å; Q108-Y157 HydrophobicContact CG-CG 3.54Å; Q108-R361 VanDerWaalsContact CD-NH1 3.34Å
109S96.3Very high97.1Very high2 Ų231.3 Ų31.31%0.01417%0.171CC..Hα-helixtrans-62.9-38.4177.9-59.70000111.7S107 K113S107-S109 VanDerWaalsContact C-N 3.27Å; S107-S109 PolarHBondContact O-N 3.14Å; S109-K113 VanDerWaalsContact O-CG 3.31Å; S109-K113 WeakPolarHBondContact O-CG 3.38Å; S109-K113 PolarHBondContact O-N 3.47Å
110D97.5Very high97.1Very high23 Ų2334.3 Ų34.312%0.12318%0.18CC..Hα-helixtrans-71.3-42.5176.5-63.3-38.3000111.8F91 V96 V106 S107 Q108 N112 K113 I114F91-D110 HydrophobicContact CE2-CB 3.85Å; F91-D110 WeakPolarHBondContact CE2-OD1 3.47Å; F91-D110 HydrophobicContact CZ-CB 4.41Å; V96-D110 HydrophobicContact CG2-CB 3.62Å; V106-D110 HydrophobicContact CG1-CB 3.94Å; S107-D110 PolarHBondContact O-N 3.2Å; S107-D110 VanDerWaalsContact O-N 3.11Å; S107-D110 WeakPolarHBondContact OG-CB 3.49Å; S107-D110 PolarHBondContact OG-N 3.23Å; S107-D110 VanDerWaalsContact OG-N 3.16Å; S107-D110 PolarHBondContact OG-OD2 2.71Å; Q108-D110 VanDerWaalsContact C-N 3.3Å; Q108-D110 PolarHBondContact O-N 3.26Å; D110-N112 VanDerWaalsContact C-N 3.32Å; D110-N112 PolarHBondContact O-N 3Å; D110-K113 PolarHBondContact O-N 2.94Å; D110-I114 WeakPolarHBondContact O-CG1 3.34Å; D110-I114 PolarHBondContact O-N 3.4Å
111L97.9Very high97.1Very high0 Ų040.2 Ų40.20%021%0.207CC..Hα-helixtrans-56.9-45.9172.6-69.7176000111.2V106 S107 Q108 K113 I114 E115 W148 I149 Q152 Y157V106-L111 HydrophobicContact CB-CD2 3.94Å; V106-L111 HydrophobicContact CB-CG 4.1Å; V106-L111 HydrophobicContact CG1-CD2 3.95Å; V106-L111 HydrophobicContact CG1-CG 3.98Å; S107-L111 WeakPolarHBondContact O-CG 3.44Å; S107-L111 PolarHBondContact O-N 3.27Å; Q108-L111 PolarHBondContact O-N 3.36Å; L111-K113 VanDerWaalsContact C-N 3.33Å; L111-K113 PolarHBondContact O-N 3.21Å; L111-I114 PolarHBondContact O-N 2.94Å; L111-E115 VanDerWaalsContact O-CB 3.28Å; L111-E115 WeakPolarHBondContact O-CB 3.45Å; L111-E115 PolarHBondContact O-N 3.42Å; L111-W148 HydrophobicContact CD2-CH2 3.52Å; L111-W148 HydrophobicContact CD2-CZ2 4.13Å; L111-W148 HydrophobicContact CD2-CZ3 3.83Å; L111-I149 HydrophobicContact CB-CG2 4.24Å; L111-I149 HydrophobicContact CD2-CG1 4.05Å; L111-I149 HydrophobicContact CD2-CG2 4.48Å; L111-Q152 HydrophobicContact CD1-CB 3.88Å; L111-Q152 HydrophobicContact CD2-CB 4.33Å; L111-Q152 HydrophobicContact CD2-CG 4.39Å; L111-Y157 HydrophobicContact CD1-CD2 4.19Å; L111-Y157 HydrophobicContact CD1-CE2 3.72Å
112N98Very high97Very high3 Ų340.5 Ų40.52%0.01621%0.211CC..Hα-helixtrans-64.5-37.1179.7-64.2-3.7000111.9Q108 D110 W116 R153 P170 A350Q108-N112 WeakPolarHBondContact O-CB 3.45Å; Q108-N112 PolarHBondContact O-N 3.14Å; Q108-N112 PolarHBondContact O-ND2 3.05Å; Q108-N112 PolarHBondContact O-OD1 3.35Å; Q108-N112 VanDerWaalsContact O-OD1 3.05Å; D110-N112 VanDerWaalsContact C-N 3.32Å; D110-N112 PolarHBondContact O-N 3Å; N112-W116 WeakPolarHBondContact O-CB 3.41Å; N112-W116 PolarHBondContact O-N 3.35Å; N112-R153 PolarHBondContact OD1-NH2 2.85Å; N112-P170 VanDerWaalsContact ND2-CB 3.34Å; N112-P170 WeakPolarHBondContact ND2-CB 3.35Å; N112-A350 PolarHBondContact ND2-O 3.04Å
113K97.9Very high97Very high24 Ų2441.2 Ų41.210%0.10421%0.206CC..Hα-helixtrans-65.6-46.4175.1-75.9174.7-177.1-172.70111.7S90 F91 S109 D110 L111 V117 E364S90-K113 PolarHBondContact O-NZ 2.92Å; S90-K113 VanDerWaalsContact O-NZ 3.12Å; F91-K113 HydrophobicContact CD2-CB 4.25Å; F91-K113 HydrophobicContact CD2-CD 3.67Å; F91-K113 HydrophobicContact CE2-CB 4.32Å; F91-K113 HydrophobicContact CE2-CD 4.27Å; S109-K113 VanDerWaalsContact O-CG 3.31Å; S109-K113 WeakPolarHBondContact O-CG 3.38Å; S109-K113 PolarHBondContact O-N 3.47Å; D110-K113 PolarHBondContact O-N 2.94Å; L111-K113 VanDerWaalsContact C-N 3.33Å; L111-K113 PolarHBondContact O-N 3.21Å; K113-V117 PolarHBondContact O-N 3.22Å; K113-E364 WeakPolarHBondContact CE-OE1 3.38Å; K113-E364 VanDerWaalsContact NZ-CD 3.34Å; K113-E364 IonicContact NZ-OE1 2.69Å; K113-E364 PolarHBondContact NZ-OE1 2.74Å; K113-E364 IonicContact NZ-OE2 2.74Å; K113-E364 PolarHBondContact NZ-OE2 3.42Å
114I98.2Very high97Very high13 Ų1339.5 Ų39.57%0.06720%0.198CC..Hα-helixtrans-63.8-48.4177.9-63.2166.4000109.7F91 V96 D110 L111 W116 V117 M118 I145 I149F91-I114 HydrophobicContact CE1-CG1 4.19Å; F91-I114 HydrophobicContact CZ-CD1 3.97Å; F91-I114 HydrophobicContact CZ-CG1 3.77Å; V96-I114 HydrophobicContact CG1-CD1 4.35Å; D110-I114 WeakPolarHBondContact O-CG1 3.34Å; D110-I114 PolarHBondContact O-N 3.4Å; L111-I114 PolarHBondContact O-N 2.94Å; I114-W116 VanDerWaalsContact C-N 3.33Å; I114-W116 PolarHBondContact O-N 2.58Å; I114-V117 WeakPolarHBondContact O-CG2 3.46Å; I114-V117 PolarHBondContact O-N 3.36Å; I114-M118 HydrophobicContact CG2-CG 4.27Å; I114-M118 VanDerWaalsContact O-CG 3.28Å; I114-M118 WeakPolarHBondContact O-CG 3.48Å; I114-M118 PolarHBondContact O-N 3Å; I114-I145 HydrophobicContact CG2-CG2 3.78Å; I114-I149 HydrophobicContact CB-CD1 4.14Å; I114-I149 HydrophobicContact CG2-CD1 3.88Å
115E98.2Very high96.9Very high14 Ų1435.2 Ų35.27%0.06518%0.184CC..Hα-helixtrans-53.4-51.7178179.2-178.9-125.900111L111 V117 M118 Q119 L146 I149 R153L111-E115 VanDerWaalsContact O-CB 3.28Å; L111-E115 WeakPolarHBondContact O-CB 3.45Å; L111-E115 PolarHBondContact O-N 3.42Å; E115-V117 VanDerWaalsContact C-N 3.33Å; E115-V117 PolarHBondContact O-N 2.81Å; E115-M118 WeakPolarHBondContact O-CB 3.45Å; E115-M118 PolarHBondContact O-N 3.39Å; E115-M118 VanDerWaalsContact O-N 3.14Å; E115-Q119 VanDerWaalsContact CG-CD 3.48Å; E115-Q119 HydrophobicContact CG-CG 3.96Å; E115-Q119 VanDerWaalsContact CG-NE2 3.28Å; E115-Q119 WeakPolarHBondContact O-CB 3.36Å; E115-Q119 WeakPolarHBondContact O-CG 3.36Å; E115-Q119 PolarHBondContact O-N 3.45Å; E115-Q119 PolarHBondContact OE1-NE2 2.88Å; E115-Q119 VanDerWaalsContact OE1-NE2 3.12Å; E115-L146 HydrophobicContact CG-CD2 3.83Å; E115-I149 HydrophobicContact CB-CD1 3.79Å; E115-I149 HydrophobicContact CB-CG2 4.33Å; E115-R153 VanDerWaalsContact CD-NH2 3.27Å; E115-R153 IonicContact OE1-CZ 2.64Å; E115-R153 IonicContact OE1-NH1 2.72Å; E115-R153 PolarHBondContact OE1-NH1 3.2Å; E115-R153 IonicContact OE1-NH2 3.34Å; E115-R153 IonicContact OE2-CZ 3.31Å; E115-R153 VanDerWaalsContact OE2-CZ 3.32Å; E115-R153 IonicContact OE2-NH1 2.71Å; E115-R153 PolarHBondContact OE2-NH1 3.46Å; E115-R153 VanDerWaalsContact OE2-NH1 3.12Å; E115-R153 IonicContact OE2-NH2 3.18Å; E115-R153 PolarHBondContact OE2-NH2 2.87Å
116W98.2Very high96.8Very high22 Ų2238.2 Ų38.28%0.08320%0.202CC..Hα-helixtrans-60.2-44.9-176.1-166.898.7000111.1N112 I114 M118 Q119 Y120 T122 K345 D346 K348 T351N112-W116 WeakPolarHBondContact O-CB 3.41Å; N112-W116 PolarHBondContact O-N 3.35Å; I114-W116 VanDerWaalsContact C-N 3.33Å; I114-W116 PolarHBondContact O-N 2.58Å; W116-M118 VanDerWaalsContact C-N 3.26Å; W116-M118 PolarHBondContact O-N 2.96Å; W116-Q119 PolarHBondContact O-N 2.9Å; W116-Y120 AromaticContact CD1-CD2 3.92Å; W116-Y120 AromaticContact CD1-CE2 3.71Å; W116-Y120 AromaticContact CD2-CD2 3.65Å; W116-Y120 HydrophobicContact CD2-CD2 3.65Å; W116-Y120 HydrophobicContact CD2-CE2 4.21Å; W116-Y120 HydrophobicContact CD2-CG 4.29Å; W116-Y120 AromaticContact CE2-CD2 3.45Å; W116-Y120 VanDerWaalsContact CE2-CD2 3.45Å; W116-Y120 AromaticContact CE2-CE2 3.74Å; W116-Y120 AromaticContact CE2-CG 3.93Å; W116-Y120 HydrophobicContact CE3-CD2 4.15Å; W116-Y120 HydrophobicContact CE3-CG 4.46Å; W116-Y120 AromaticContact CG-CD2 3.95Å; W116-Y120 HydrophobicContact CG-CD2 3.95Å; W116-Y120 HydrophobicContact CG-CE2 4.19Å; W116-Y120 HydrophobicContact CH2-CD1 4.47Å; W116-Y120 HydrophobicContact CH2-CD2 4.24Å; W116-Y120 AromaticContact CH2-CG 3.91Å; W116-Y120 HydrophobicContact CH2-CG 3.91Å; W116-Y120 HydrophobicContact CZ2-CD1 4.18Å; W116-Y120 AromaticContact CZ2-CD2 3.81Å; W116-Y120 HydrophobicContact CZ2-CD2 3.81Å; W116-Y120 HydrophobicContact CZ2-CE2 4.26Å; W116-Y120 AromaticContact CZ2-CG 3.78Å; W116-Y120 HydrophobicContact CZ2-CG 3.78Å; W116-Y120 HydrophobicContact CZ3-CD2 4.37Å; W116-Y120 HydrophobicContact CZ3-CG 4.23Å; W116-Y120 AromaticContact NE1-CD2 3.65Å; W116-Y120 AromaticContact NE1-CE2 3.43Å; W116-Y120 VanDerWaalsContact O-CD2 3.3Å; W116-Y120 WeakPolarHBondContact O-CD2 3.31Å; W116-Y120 PolarHBondContact O-N 3.03Å; W116-T122 HydrophobicContact CH2-CG2 3.93Å; W116-T122 HydrophobicContact CZ3-CG2 3.51Å; W116-T122 WeakPolarHBondContact CZ3-OG1 2.96Å; W116-K345 PolarHBondContact NE1-O 3.42Å; W116-D346 WeakPolarHBondContact CZ2-O 3.22Å; W116-K348 HydrophobicContact CD2-CG 3.89Å; W116-K348 VanDerWaalsContact CE2-CG 3.41Å; W116-K348 HydrophobicContact CE3-CG 4.32Å; W116-K348 HydrophobicContact CH2-CD 4.38Å; W116-K348 VanDerWaalsContact CH2-CE 3.45Å; W116-K348 HydrophobicContact CH2-CG 4.03Å; W116-K348 HydrophobicContact CZ2-CD 4.28Å; W116-K348 HydrophobicContact CZ2-CG 3.47Å; W116-K348 VanDerWaalsContact CZ2-CG 3.47Å; W116-K348 HydrophobicContact CZ3-CG 4.43Å; W116-T351 HydrophobicContact CB-CG2 3.66Å; W116-T351 HydrophobicContact CG-CG2 3.81Å
117V97.7Very high96.6Very high30 Ų3043.7 Ų43.718%0.18222%0.223CC..Hα-helixtrans-69.6-27-179-60.90000113K113 I114 E115 E121 T122 M123K113-V117 PolarHBondContact O-N 3.22Å; I114-V117 WeakPolarHBondContact O-CG2 3.46Å; I114-V117 PolarHBondContact O-N 3.36Å; E115-V117 VanDerWaalsContact C-N 3.33Å; E115-V117 PolarHBondContact O-N 2.81Å; V117-E121 PolarHBondContact O-N 3.38Å; V117-T122 PolarHBondContact O-N 3.14Å; V117-T122 VanDerWaalsContact O-N 3.12Å; V117-M123 HydrophobicContact CB-CB 3.83Å; V117-M123 HydrophobicContact CB-CG 3.65Å; V117-M123 HydrophobicContact CG1-CB 4.46Å; V117-M123 HydrophobicContact CG1-CG 3.72Å; V117-M123 HydrophobicContact CG2-CB 4.02Å; V117-M123 HydrophobicContact CG2-CG 4.08Å
118M97.9Very high96.5Very high10 Ų1043 Ų435%0.04921%0.214CC..Hα-helixtrans-71.7-53.2171.9-69.1-55.9101.600110.8F51 I114 E115 W116 Y120 E121 V137 R142 I145 L146F51-M118 HydrophobicContact CZ-SD 4.24Å; I114-M118 HydrophobicContact CG2-CG 4.27Å; I114-M118 VanDerWaalsContact O-CG 3.28Å; I114-M118 WeakPolarHBondContact O-CG 3.48Å; I114-M118 PolarHBondContact O-N 3Å; E115-M118 WeakPolarHBondContact O-CB 3.45Å; E115-M118 PolarHBondContact O-N 3.39Å; E115-M118 VanDerWaalsContact O-N 3.14Å; W116-M118 VanDerWaalsContact C-N 3.26Å; W116-M118 PolarHBondContact O-N 2.96Å; M118-Y120 VanDerWaalsContact C-N 3.35Å; M118-Y120 PolarHBondContact O-N 3.19Å; M118-E121 PolarHBondContact O-N 3.11Å; M118-V137 HydrophobicContact SD-CG1 4.16Å; M118-R142 HydrophobicContact CB-CG 3.99Å; M118-R142 WeakPolarHBondContact O-CD 3.19Å; M118-R142 PolarHBondContact O-NE 3.22Å; M118-I145 HydrophobicContact CG-CB 4.36Å; M118-I145 HydrophobicContact CG-CG2 3.82Å; M118-I145 HydrophobicContact SD-CG2 4.43Å; M118-L146 HydrophobicContact CB-CD2 3.85Å; M118-L146 HydrophobicContact CB-CG 4.14Å
119Q97.1Very high96.4Very high92 Ų9243.4 Ų43.443%0.4322%0.217SC..Hα-helixtrans-58.7-41.1-178.5-74.7178.5-12.300113.4E115 W116 L146E115-Q119 VanDerWaalsContact CG-CD 3.48Å; E115-Q119 HydrophobicContact CG-CG 3.96Å; E115-Q119 VanDerWaalsContact CG-NE2 3.28Å; E115-Q119 WeakPolarHBondContact O-CB 3.36Å; E115-Q119 WeakPolarHBondContact O-CG 3.36Å; E115-Q119 PolarHBondContact O-N 3.45Å; E115-Q119 PolarHBondContact OE1-NE2 2.88Å; E115-Q119 VanDerWaalsContact OE1-NE2 3.12Å; W116-Q119 PolarHBondContact O-N 2.9Å; Q119-L146 HydrophobicContact CG-CD1 4.26Å; Q119-L146 HydrophobicContact CG-CD2 3.7Å
120Y97Very high96.2Very high80 Ų8045.4 Ų45.431%0.31423%0.234SC..THydrogen-bonded Turntrans-98.79.7-177.6-65.2-94.1000113.1W116 M118 T122 D346W116-Y120 AromaticContact CD1-CD2 3.92Å; W116-Y120 AromaticContact CD1-CE2 3.71Å; W116-Y120 AromaticContact CD2-CD2 3.65Å; W116-Y120 HydrophobicContact CD2-CD2 3.65Å; W116-Y120 HydrophobicContact CD2-CE2 4.21Å; W116-Y120 HydrophobicContact CD2-CG 4.29Å; W116-Y120 AromaticContact CE2-CD2 3.45Å; W116-Y120 VanDerWaalsContact CE2-CD2 3.45Å; W116-Y120 AromaticContact CE2-CE2 3.74Å; W116-Y120 AromaticContact CE2-CG 3.93Å; W116-Y120 HydrophobicContact CE3-CD2 4.15Å; W116-Y120 HydrophobicContact CE3-CG 4.46Å; W116-Y120 AromaticContact CG-CD2 3.95Å; W116-Y120 HydrophobicContact CG-CD2 3.95Å; W116-Y120 HydrophobicContact CG-CE2 4.19Å; W116-Y120 HydrophobicContact CH2-CD1 4.47Å; W116-Y120 HydrophobicContact CH2-CD2 4.24Å; W116-Y120 AromaticContact CH2-CG 3.91Å; W116-Y120 HydrophobicContact CH2-CG 3.91Å; W116-Y120 HydrophobicContact CZ2-CD1 4.18Å; W116-Y120 AromaticContact CZ2-CD2 3.81Å; W116-Y120 HydrophobicContact CZ2-CD2 3.81Å; W116-Y120 HydrophobicContact CZ2-CE2 4.26Å; W116-Y120 AromaticContact CZ2-CG 3.78Å; W116-Y120 HydrophobicContact CZ2-CG 3.78Å; W116-Y120 HydrophobicContact CZ3-CD2 4.37Å; W116-Y120 HydrophobicContact CZ3-CG 4.23Å; W116-Y120 AromaticContact NE1-CD2 3.65Å; W116-Y120 AromaticContact NE1-CE2 3.43Å; W116-Y120 VanDerWaalsContact O-CD2 3.3Å; W116-Y120 WeakPolarHBondContact O-CD2 3.31Å; W116-Y120 PolarHBondContact O-N 3.03Å; M118-Y120 VanDerWaalsContact C-N 3.35Å; M118-Y120 PolarHBondContact O-N 3.19Å; Y120-T122 WeakPolarHBondContact O-CG2 3.24Å; Y120-T122 PolarHBondContact O-N 2.94Å; Y120-D346 WeakPolarHBondContact OH-CA 3.44Å; Y120-D346 PolarHBondContact OH-OD1 3.1Å
121E96.8Very high96Very high123 Ų12346 Ų4658%0.57524%0.236SC*.THydrogen-bonded Turntrans5234.4174.4-47-167-178.300114.5V117 M118 R142V117-E121 PolarHBondContact O-N 3.38Å; M118-E121 PolarHBondContact O-N 3.11Å; E121-R142 IonicContact OE1-CZ 2.84Å; E121-R142 IonicContact OE1-NE 2.76Å; E121-R142 IonicContact OE1-NH1 3.52Å; E121-R142 IonicContact OE2-NH2 3.74Å
122T95.1Very high95.7Very high54 Ų5446.3 Ų46.333%0.33124%0.238SC..  trans-93-9-174.161.10000113.7W116 V117 Y120W116-T122 HydrophobicContact CH2-CG2 3.93Å; W116-T122 HydrophobicContact CZ3-CG2 3.51Å; W116-T122 WeakPolarHBondContact CZ3-OG1 2.96Å; V117-T122 PolarHBondContact O-N 3.14Å; V117-T122 VanDerWaalsContact O-N 3.12Å; Y120-T122 WeakPolarHBondContact O-CG2 3.24Å; Y120-T122 PolarHBondContact O-N 2.94Å
123M96.2Very high95.4Very high67 Ų6752 Ų5233%0.3326%0.259SS..  trans-128.6141.2176.8-70.8-67.8162.200111.5V117V117-M123 HydrophobicContact CB-CB 3.83Å; V117-M123 HydrophobicContact CB-CG 3.65Å; V117-M123 HydrophobicContact CG1-CB 4.46Å; V117-M123 HydrophobicContact CG1-CG 3.72Å; V117-M123 HydrophobicContact CG2-CB 4.02Å; V117-M123 HydrophobicContact CG2-CG 4.08Å
124P96Very high95Very high29 Ų2953.3 Ų53.319%0.18828%0.275CS..SBendcis-73158.3-5.5-19.835.1000112.8Y128 T129 G135P124-Y128 HydrophobicContact CB-CD1 3.42Å; P124-Y128 VanDerWaalsContact CB-CD1 3.42Å; P124-Y128 HydrophobicContact CB-CE1 3.93Å; P124-Y128 HydrophobicContact CB-CG 4.31Å; P124-Y128 HydrophobicContact CG-CD1 4.13Å; P124-Y128 HydrophobicContact CG-CE1 4.15Å; P124-T129 HydrophobicContact CB-CG2 3.99Å; P124-T129 HydrophobicContact CG-CG2 4.39Å; P124-G135 WeakPolarHBondContact CG-O 3.48Å
125P94.9Very high94.7Very high45 Ų4552.8 Ų52.829%0.29227%0.272SS..  trans-66.2148.5-178.928.5-33000111R127 Y128 T129P125-R127 PolarHBondContact O-N 3.12Å; P125-R127 VanDerWaalsContact O-N 3.09Å; P125-Y128 WeakPolarHBondContact O-CA 3.33Å; P125-Y128 WeakPolarHBondContact O-CB 3.45Å; P125-Y128 PolarHBondContact O-N 3.12Å; P125-T129 PolarHBondContact O-N 2.93Å; P125-T129 VanDerWaalsContact O-N 3.17Å
126T93.5Very high94.6Very high120 Ų12057.9 Ų57.974%0.73629%0.294SS*.Hα-helixtrans-55.3-33.6-178.1-46.80000113.3Y128 T129 A130T126-Y128 VanDerWaalsContact C-N 3.28Å; T126-Y128 PolarHBondContact O-N 2.84Å; T126-T129 WeakPolarHBondContact CA-OG1 3.46Å; T126-T129 PolarHBondContact O-N 3.45Å; T126-T129 PolarHBondContact O-OG1 2.53Å; T126-A130 WeakPolarHBondContact O-CB 3.05Å; T126-A130 PolarHBondContact O-N 3.19Å
127R92.1Very high94.5Very high114 Ų11457.8 Ų57.843%0.4330%0.296SS..Hα-helixtrans-61.4-36.3176177.5165.253.4-156.4-7.1112.6D83 P125D83-R127 IonicContact OD1-CZ 3.55Å; D83-R127 IonicContact OD1-NE 3.85Å; D83-R127 IonicContact OD1-NH2 3.03Å; D83-R127 PolarHBondContact OD1-NH2 3.34Å; D83-R127 IonicContact OD2-CZ 3.52Å; D83-R127 IonicContact OD2-NE 2.86Å; D83-R127 PolarHBondContact OD2-NE 3.22Å; D83-R127 IonicContact OD2-NH2 3.04Å; D83-R127 PolarHBondContact OD2-NH2 3.25Å; P125-R127 PolarHBondContact O-N 3.12Å; P125-R127 VanDerWaalsContact O-N 3.09Å
128Y94.5Very high94.5Very high29 Ų2958.3 Ų58.311%0.11430%0.301CS..Hα-helixtrans-71.8-51.1174.1171.9-99.3000110.7K55 G56 Y59 P124 P125 T126 A130 L131 H132K55-Y128 WeakPolarHBondContact O-CE1 3.15Å; K55-Y128 PolarHBondContact O-OH 3.2Å; G56-Y128 WeakPolarHBondContact CA-OH 3.3Å; Y59-Y128 AromaticContact CD2-CE2 3.69Å; Y59-Y128 HydrophobicContact CD2-CE2 3.69Å; Y59-Y128 HydrophobicContact CE2-CE2 4.22Å; P124-Y128 HydrophobicContact CB-CD1 3.42Å; P124-Y128 VanDerWaalsContact CB-CD1 3.42Å; P124-Y128 HydrophobicContact CB-CE1 3.93Å; P124-Y128 HydrophobicContact CB-CG 4.31Å; P124-Y128 HydrophobicContact CG-CD1 4.13Å; P124-Y128 HydrophobicContact CG-CE1 4.15Å; P125-Y128 WeakPolarHBondContact O-CA 3.33Å; P125-Y128 WeakPolarHBondContact O-CB 3.45Å; P125-Y128 PolarHBondContact O-N 3.12Å; T126-Y128 VanDerWaalsContact C-N 3.28Å; T126-Y128 PolarHBondContact O-N 2.84Å; Y128-A130 PolarHBondContact O-N 2.99Å; Y128-L131 PolarHBondContact O-N 2.84Å; Y128-H132 HydrophobicContact CD1-CB 4Å; Y128-H132 HydrophobicContact CD2-CB 4.23Å; Y128-H132 AromaticContact CD2-CD2 3.3Å; Y128-H132 WeakPolarHBondContact CD2-CD2 3.42Å; Y128-H132 AromaticContact CD2-CG 3.82Å; Y128-H132 AromaticContact CD2-NE2 3.77Å; Y128-H132 HydrophobicContact CE1-CB 3.63Å; Y128-H132 HydrophobicContact CE2-CB 3.83Å; Y128-H132 AromaticContact CE2-CD2 3.2Å; Y128-H132 WeakPolarHBondContact CE2-CD2 3.28Å; Y128-H132 AromaticContact CE2-CE1 3.75Å; Y128-H132 AromaticContact CE2-CG 3.33Å; Y128-H132 AromaticContact CE2-ND1 3.67Å; Y128-H132 AromaticContact CE2-NE2 3.47Å; Y128-H132 WeakPolarHBondContact CE2-NE2 3.27Å; Y128-H132 HydrophobicContact CG-CB 4.32Å; Y128-H132 AromaticContact CZ-CD2 3.88Å; Y128-H132 AromaticContact CZ-CG 3.5Å; Y128-H132 AromaticContact CZ-ND1 3.85Å; Y128-H132 WeakPolarHBondContact O-CB 3.49Å; Y128-H132 PolarHBondContact O-CD2 2.79Å; Y128-H132 PolarHBondContact O-N 3.47Å
129T94.4Very high94.5Very high18 Ų1862.9 Ų62.911%0.1133%0.326CS..Hα-helixtrans-70.1-6.7-177.261.30000114.1P124 P125 T126 L131 W133 K136P124-T129 HydrophobicContact CB-CG2 3.99Å; P124-T129 HydrophobicContact CG-CG2 4.39Å; P125-T129 PolarHBondContact O-N 2.93Å; P125-T129 VanDerWaalsContact O-N 3.17Å; T126-T129 WeakPolarHBondContact CA-OG1 3.46Å; T126-T129 PolarHBondContact O-N 3.45Å; T126-T129 PolarHBondContact O-OG1 2.53Å; T129-L131 VanDerWaalsContact C-N 3.33Å; T129-W133 VanDerWaalsContact O-CD1 3.25Å; T129-K136 HydrophobicContact CG2-CG 3.83Å
130A92Very high94.5Very high44 Ų4464.6 Ų64.636%0.36433%0.334SS..THydrogen-bonded Turntrans-66.9-30.517100000113.1Y17 T126 Y128 W133Y17-A130 WeakPolarHBondContact CE2-O 3.45Å; Y17-A130 PolarHBondContact OH-O 2.91Å; T126-A130 WeakPolarHBondContact O-CB 3.05Å; T126-A130 PolarHBondContact O-N 3.19Å; Y128-A130 PolarHBondContact O-N 2.99Å; A130-W133 PolarHBondContact O-NE1 3.32Å
131L91.8Very high94.6Very high35 Ų3563 Ų6318%0.18333%0.329CS..THydrogen-bonded Turntrans-112-31.6174.9-66.8175000112Y17 L20 V24 Y70 Y128 T129 W133Y17-L131 HydrophobicContact CD2-CD2 4.11Å; Y17-L131 HydrophobicContact CE2-CD2 3.81Å; L20-L131 HydrophobicContact CD2-CD1 4.06Å; L20-L131 HydrophobicContact CD2-CD2 3.72Å; L20-L131 HydrophobicContact CG-CD2 4.03Å; V24-L131 HydrophobicContact CG2-CB 4.45Å; Y70-L131 HydrophobicContact CD2-CD1 4.36Å; Y70-L131 HydrophobicContact CE2-CD1 3.96Å; Y128-L131 PolarHBondContact O-N 2.84Å; T129-L131 VanDerWaalsContact C-N 3.33Å; L131-W133 PolarHBondContact O-N 2.86Å
132H93.2Very high94.6Very high6 Ų658.4 Ų58.43%0.02831%0.307CS..  trans-96.469-179.6-63.3-93000111.7V24 D28 Y59 Y70 Y128 A134 G135V24-H132 HydrophobicContact CG1-CB 4.46Å; V24-H132 VanDerWaalsContact CG1-CE1 3.44Å; V24-H132 WeakPolarHBondContact CG1-CE1 3.35Å; V24-H132 WeakPolarHBondContact CG1-ND1 3.49Å; D28-H132 IonicContact OD1-CE1 3.63Å; D28-H132 IonicContact OD1-ND1 3.47Å; D28-H132 PolarHBondContact OD1-ND1 2.76Å; D28-H132 IonicContact OD2-CE1 3.63Å; D28-H132 IonicContact OD2-CG 3.34Å; D28-H132 IonicContact OD2-ND1 2.72Å; D28-H132 PolarHBondContact OD2-ND1 2.81Å; Y59-H132 AromaticContact CE2-CE1 3.86Å; Y70-H132 AromaticContact CZ-NE2 3.93Å; Y70-H132 PolarHBondContact OH-NE2 3.36Å; Y128-H132 HydrophobicContact CD1-CB 4Å; Y128-H132 HydrophobicContact CD2-CB 4.23Å; Y128-H132 AromaticContact CD2-CD2 3.3Å; Y128-H132 WeakPolarHBondContact CD2-CD2 3.42Å; Y128-H132 AromaticContact CD2-CG 3.82Å; Y128-H132 AromaticContact CD2-NE2 3.77Å; Y128-H132 HydrophobicContact CE1-CB 3.63Å; Y128-H132 HydrophobicContact CE2-CB 3.83Å; Y128-H132 AromaticContact CE2-CD2 3.2Å; Y128-H132 WeakPolarHBondContact CE2-CD2 3.28Å; Y128-H132 AromaticContact CE2-CE1 3.75Å; Y128-H132 AromaticContact CE2-CG 3.33Å; Y128-H132 AromaticContact CE2-ND1 3.67Å; Y128-H132 AromaticContact CE2-NE2 3.47Å; Y128-H132 WeakPolarHBondContact CE2-NE2 3.27Å; Y128-H132 HydrophobicContact CG-CB 4.32Å; Y128-H132 AromaticContact CZ-CD2 3.88Å; Y128-H132 AromaticContact CZ-CG 3.5Å; Y128-H132 AromaticContact CZ-ND1 3.85Å; Y128-H132 WeakPolarHBondContact O-CB 3.49Å; Y128-H132 PolarHBondContact O-CD2 2.79Å; Y128-H132 PolarHBondContact O-N 3.47Å; H132-A134 VanDerWaalsContact C-N 3.32Å; H132-A134 PolarHBondContact O-N 2.96Å; H132-G135 WeakPolarHBondContact O-CA 3.4Å; H132-G135 PolarHBondContact O-N 2.81Å
133W91.7Very high94.8Very high122 Ų12258.6 Ų58.646%0.46231%0.314SS..G310 helixtrans-62.3-38.4-174.4-59.2-9.8000113.4Y17 L18 T129 A130 L131 G135 K136Y17-W133 HydrophobicContact CE1-CH2 4.46Å; Y17-W133 AromaticContact CE1-CZ2 3.63Å; Y17-W133 HydrophobicContact CE1-CZ2 3.63Å; Y17-W133 AromaticContact CZ-CZ2 3.79Å; Y17-W133 WeakPolarHBondContact OH-CZ2 3.31Å; Y17-W133 PolarHBondContact OH-NE1 3.09Å; Y17-W133 VanDerWaalsContact OH-NE1 3.14Å; L18-W133 HydrophobicContact CD2-CH2 3.67Å; L18-W133 HydrophobicContact CD2-CZ2 4.46Å; T129-W133 VanDerWaalsContact O-CD1 3.25Å; A130-W133 PolarHBondContact O-NE1 3.32Å; L131-W133 PolarHBondContact O-N 2.86Å; W133-G135 PolarHBondContact O-N 3.22Å; W133-K136 WeakPolarHBondContact O-CB 3.32Å; W133-K136 WeakPolarHBondContact O-CG 3.46Å; W133-K136 PolarHBondContact O-N 3.41Å
134A89.2Confident94.9Very high53 Ų5361.3 Ų61.344%0.43833%0.325SS..G310 helixtrans-67.8-17175.500000113H132 K136H132-A134 VanDerWaalsContact C-N 3.32Å; H132-A134 PolarHBondContact O-N 2.96Å; A134-K136 VanDerWaalsContact C-N 3.27Å; A134-K136 PolarHBondContact O-N 3.08Å
135G92.1Very high95Very high1 Ų160.3 Ų60.31%0.0132%0.318CS..G310 helixtrans-76.8-9.117500000114P124 H132 W133P124-G135 WeakPolarHBondContact CG-O 3.48Å; H132-G135 WeakPolarHBondContact O-CA 3.4Å; H132-G135 PolarHBondContact O-N 2.81Å; W133-G135 PolarHBondContact O-N 3.22Å
136K95.3Very high95.1Very high122 Ų12260.1 Ų60.153%0.5332%0.315SS..PPolyproline II helixtrans-60.5141.5172.5-69.8-179.6179.8-176.60110.3K55 T129 W133 A134K55-K136 PolarHBondContact NZ-O 2.89Å; T129-K136 HydrophobicContact CG2-CG 3.83Å; W133-K136 WeakPolarHBondContact O-CB 3.32Å; W133-K136 WeakPolarHBondContact O-CG 3.46Å; W133-K136 PolarHBondContact O-N 3.41Å; A134-K136 VanDerWaalsContact C-N 3.27Å; A134-K136 PolarHBondContact O-N 3.08Å
137V97.2Very high95.3Very high19 Ų1957.3 Ų57.312%0.11530%0.304CS..PPolyproline II helixtrans-95.4123.6174.9177.10000108.2F51 K55 M118 E141 R142F51-V137 HydrophobicContact CE2-CG1 3.99Å; F51-V137 HydrophobicContact CE2-CG2 3.95Å; F51-V137 HydrophobicContact CZ-CG1 4.07Å; F51-V137 HydrophobicContact CZ-CG2 3.74Å; K55-V137 HydrophobicContact CD-CG2 4.17Å; K55-V137 HydrophobicContact CG-CG2 4.11Å; M118-V137 HydrophobicContact SD-CG1 4.16Å; V137-E141 WeakPolarHBondContact CA-OE2 3.32Å; V137-E141 HydrophobicContact CG1-CB 4Å; V137-R142 HydrophobicContact CG1-CB 4.18Å
138S96.6Very high95.6Very high42 Ų4252.1 Ų52.129%0.29428%0.284SS..PPolyproline II helixtrans-77.9168.3176.488.30000111.9E140 E141 R142S138-E140 VanDerWaalsContact C-N 3.29Å; S138-E140 VanDerWaalsContact CB-OE2 3.31Å; S138-E140 WeakPolarHBondContact CB-OE2 3.43Å; S138-E140 PolarHBondContact O-N 2.9Å; S138-E140 PolarHBondContact OG-N 2.96Å; S138-E140 PolarHBondContact OG-OE2 3.05Å; S138-E141 PolarHBondContact N-OE2 3.35Å; S138-E141 PolarHBondContact O-N 2.68Å; S138-E141 PolarHBondContact OG-N 3.27Å; S138-R142 WeakPolarHBondContact O-CB 3.13Å; S138-R142 PolarHBondContact O-N 2.94Å
139D98Very high95.8Very high106 Ų10650.8 Ų50.857%0.56728%0.279SS*.Hα-helixtrans-65.7-35.5177.8-64-14.9000111.6R142 A143D139-R142 IonicContact OD1-CZ 3Å; D139-R142 IonicContact OD1-NH1 3.29Å; D139-R142 PolarHBondContact OD1-NH1 3.14Å; D139-A143 WeakPolarHBondContact O-CB 3.5Å; D139-A143 PolarHBondContact O-N 2.78Å
140E97.9Very high95.9Very high128 Ų12851.2 Ų51.260%0.59829%0.285SS*.Hα-helixtrans-65.8-49.2174.7-57.874.5-161.600111.1S138 R142 A143 E144S138-E140 VanDerWaalsContact C-N 3.29Å; S138-E140 VanDerWaalsContact CB-OE2 3.31Å; S138-E140 WeakPolarHBondContact CB-OE2 3.43Å; S138-E140 PolarHBondContact O-N 2.9Å; S138-E140 PolarHBondContact OG-N 2.96Å; S138-E140 PolarHBondContact OG-OE2 3.05Å; E140-R142 VanDerWaalsContact C-N 3.29Å; E140-R142 PolarHBondContact O-N 3.39Å; E140-A143 PolarHBondContact O-N 3.38Å; E140-A143 VanDerWaalsContact O-N 3.16Å; E140-E144 WeakPolarHBondContact O-CG 3.26Å; E140-E144 PolarHBondContact O-N 2.88Å
141E97.7Very high96.1Very high47 Ų4753.8 Ų53.822%0.2229%0.288CS..Hα-helixtrans-61.4-40.2178.3-68.2171.1151.300111.4F51 K55 V137 S138 E144 I145F51-E141 HydrophobicContact CD2-CB 4.36Å; F51-E141 HydrophobicContact CE2-CB 3.98Å; K55-E141 WeakPolarHBondContact CE-OE1 3.32Å; K55-E141 WeakPolarHBondContact CE-OE2 3.37Å; K55-E141 IonicContact NZ-OE1 3.72Å; K55-E141 PolarHBondContact NZ-OE1 3.46Å; K55-E141 IonicContact NZ-OE2 2.61Å; K55-E141 PolarHBondContact NZ-OE2 3.21Å; V137-E141 WeakPolarHBondContact CA-OE2 3.32Å; V137-E141 HydrophobicContact CG1-CB 4Å; S138-E141 PolarHBondContact N-OE2 3.35Å; S138-E141 PolarHBondContact O-N 2.68Å; S138-E141 PolarHBondContact OG-N 3.27Å; E141-E144 PolarHBondContact O-N 3.23Å; E141-I145 WeakPolarHBondContact O-CG1 3.31Å; E141-I145 PolarHBondContact O-N 3.28Å
142R97.9Very high96.4Very high26 Ų2652.4 Ų52.410%0.09828%0.28CS..Hα-helixtrans-61-48174.2-175.8-174.7-66.21024.4111.1M118 E121 V137 S138 D139 E140 E144 I145 L146M118-R142 HydrophobicContact CB-CG 3.99Å; M118-R142 WeakPolarHBondContact O-CD 3.19Å; M118-R142 PolarHBondContact O-NE 3.22Å; E121-R142 IonicContact OE1-CZ 2.84Å; E121-R142 IonicContact OE1-NE 2.76Å; E121-R142 IonicContact OE1-NH1 3.52Å; E121-R142 IonicContact OE2-NH2 3.74Å; V137-R142 HydrophobicContact CG1-CB 4.18Å; S138-R142 WeakPolarHBondContact O-CB 3.13Å; S138-R142 PolarHBondContact O-N 2.94Å; D139-R142 IonicContact OD1-CZ 3Å; D139-R142 IonicContact OD1-NH1 3.29Å; D139-R142 PolarHBondContact OD1-NH1 3.14Å; E140-R142 VanDerWaalsContact C-N 3.29Å; E140-R142 PolarHBondContact O-N 3.39Å; R142-E144 VanDerWaalsContact C-N 3.29Å; R142-E144 PolarHBondContact O-N 3.08Å; R142-I145 PolarHBondContact O-N 3.42Å; R142-L146 HydrophobicContact CG-CD1 3.94Å; R142-L146 HydrophobicContact CG-CG 4.42Å; R142-L146 WeakPolarHBondContact O-CB 2.94Å; R142-L146 VanDerWaalsContact O-CG 3.25Å; R142-L146 WeakPolarHBondContact O-CG 3.12Å; R142-L146 PolarHBondContact O-N 3.16Å
143A98.1Very high96.6Very high58 Ų5852.3 Ų52.348%0.47928%0.28SS..Hα-helixtrans-61-39.3178.300000111.7D139 E140 L146 A147D139-A143 WeakPolarHBondContact O-CB 3.5Å; D139-A143 PolarHBondContact O-N 2.78Å; E140-A143 PolarHBondContact O-N 3.38Å; E140-A143 VanDerWaalsContact O-N 3.16Å; A143-L146 PolarHBondContact O-N 3.2Å; A143-A147 VanDerWaalsContact O-CB 3.26Å; A143-A147 WeakPolarHBondContact O-CB 3.4Å; A143-A147 PolarHBondContact O-N 3.13Å
144E97.9Very high96.8Very high123 Ų12348.8 Ų48.858%0.57528%0.276SS*.Hα-helixtrans-62.8-46.7175.4-73.9-176.3-172.800112.2E140 E141 R142 A147 W148E140-E144 WeakPolarHBondContact O-CG 3.26Å; E140-E144 PolarHBondContact O-N 2.88Å; E141-E144 PolarHBondContact O-N 3.23Å; R142-E144 VanDerWaalsContact C-N 3.29Å; R142-E144 PolarHBondContact O-N 3.08Å; E144-A147 PolarHBondContact O-N 2.9Å; E144-W148 WeakPolarHBondContact O-CB 3.46Å; E144-W148 PolarHBondContact O-N 2.98Å
145I98.2Very high97.1Very high8 Ų851.4 Ų51.44%0.04128%0.279CS..Hα-helixtrans-65.3-41.2177.9-64.5-63.2000111.2V48 F51 I114 M118 E141 R142 W148 I149V48-I145 HydrophobicContact CG1-CD1 4.43Å; V48-I145 HydrophobicContact CG2-CD1 4.28Å; F51-I145 HydrophobicContact CB-CD1 4.32Å; F51-I145 HydrophobicContact CD1-CD1 3.61Å; F51-I145 HydrophobicContact CD1-CG1 3.97Å; F51-I145 HydrophobicContact CD2-CD1 4.42Å; F51-I145 HydrophobicContact CD2-CG1 4.32Å; F51-I145 HydrophobicContact CE1-CD1 3.97Å; F51-I145 HydrophobicContact CE1-CG1 3.84Å; F51-I145 HydrophobicContact CE2-CG1 4.2Å; F51-I145 HydrophobicContact CG-CD1 3.86Å; F51-I145 HydrophobicContact CG-CG1 4.21Å; F51-I145 HydrophobicContact CZ-CG1 3.95Å; I114-I145 HydrophobicContact CG2-CG2 3.78Å; M118-I145 HydrophobicContact CG-CB 4.36Å; M118-I145 HydrophobicContact CG-CG2 3.82Å; M118-I145 HydrophobicContact SD-CG2 4.43Å; E141-I145 WeakPolarHBondContact O-CG1 3.31Å; E141-I145 PolarHBondContact O-N 3.28Å; R142-I145 PolarHBondContact O-N 3.42Å; I145-W148 HydrophobicContact CG2-CE3 4.42Å; I145-W148 PolarHBondContact O-N 3.49Å; I145-I149 HydrophobicContact CG2-CD1 4.02Å; I145-I149 VanDerWaalsContact O-CG1 3.28Å; I145-I149 WeakPolarHBondContact O-CG1 3.08Å; I145-I149 PolarHBondContact O-N 3.49Å
146L98.3Very high97.3Very high42 Ų4256 Ų5622%0.2230%0.297CS..Hα-helixtrans-65.1-40.6176.6-69174000112.1E115 M118 Q119 R142 A143 I149 A150E115-L146 HydrophobicContact CG-CD2 3.83Å; M118-L146 HydrophobicContact CB-CD2 3.85Å; M118-L146 HydrophobicContact CB-CG 4.14Å; Q119-L146 HydrophobicContact CG-CD1 4.26Å; Q119-L146 HydrophobicContact CG-CD2 3.7Å; R142-L146 HydrophobicContact CG-CD1 3.94Å; R142-L146 HydrophobicContact CG-CG 4.42Å; R142-L146 WeakPolarHBondContact O-CB 2.94Å; R142-L146 VanDerWaalsContact O-CG 3.25Å; R142-L146 WeakPolarHBondContact O-CG 3.12Å; R142-L146 PolarHBondContact O-N 3.16Å; A143-L146 PolarHBondContact O-N 3.2Å; L146-I149 PolarHBondContact O-N 2.93Å; L146-A150 PolarHBondContact O-N 3.25Å
147A98.1Very high97.3Very high61 Ų6152.2 Ų52.250%0.50428%0.28SS..Hα-helixtrans-64.6-41.7175.200000111.8A143 E144 A150 K151A143-A147 VanDerWaalsContact O-CB 3.26Å; A143-A147 WeakPolarHBondContact O-CB 3.4Å; A143-A147 PolarHBondContact O-N 3.13Å; E144-A147 PolarHBondContact O-N 2.9Å; A147-A150 PolarHBondContact O-N 2.86Å; A147-K151 PolarHBondContact O-N 3.36Å
148W97.6Very high97.2Very high5 Ų552 Ų522%0.01928%0.28CS..Hα-helixtrans-59.8-46.4173.8166.569.3000111.6V48 L100 V106 L111 E144 I145 A150 K151 Q152V48-W148 HydrophobicContact CG1-CE3 4.29Å; V48-W148 HydrophobicContact CG1-CH2 4.15Å; V48-W148 HydrophobicContact CG1-CZ2 4.38Å; V48-W148 HydrophobicContact CG1-CZ3 4.1Å; V48-W148 HydrophobicContact CG2-CD2 3.58Å; V48-W148 HydrophobicContact CG2-CE3 3.99Å; V48-W148 HydrophobicContact CG2-CG 3.77Å; V48-W148 HydrophobicContact CG2-CZ2 4.41Å; L100-W148 HydrophobicContact CD2-CZ2 3.79Å; V106-W148 HydrophobicContact CB-CH2 4.48Å; V106-W148 HydrophobicContact CG2-CH2 4.08Å; V106-W148 HydrophobicContact CG2-CZ2 4Å; L111-W148 HydrophobicContact CD2-CH2 3.52Å; L111-W148 HydrophobicContact CD2-CZ2 4.13Å; L111-W148 HydrophobicContact CD2-CZ3 3.83Å; E144-W148 WeakPolarHBondContact O-CB 3.46Å; E144-W148 PolarHBondContact O-N 2.98Å; I145-W148 HydrophobicContact CG2-CE3 4.42Å; I145-W148 PolarHBondContact O-N 3.49Å; W148-A150 VanDerWaalsContact C-N 3.33Å; W148-A150 PolarHBondContact O-N 3.31Å; W148-K151 WeakPolarHBondContact O-CB 3.38Å; W148-K151 PolarHBondContact O-N 2.8Å; W148-Q152 HydrophobicContact CD2-CG 4.2Å; W148-Q152 HydrophobicContact CG-CG 4.45Å; W148-Q152 HydrophobicContact CZ2-CG 3.77Å; W148-Q152 WeakPolarHBondContact O-CG 3.35Å; W148-Q152 PolarHBondContact O-N 2.63Å
149I98Very high97.1Very high0 Ų051.8 Ų51.80%028%0.278CS..Hα-helixtrans-60.3-44.7177-68.3167.7000111L111 I114 E115 I145 L146 K151 Q152 R153L111-I149 HydrophobicContact CB-CG2 4.24Å; L111-I149 HydrophobicContact CD2-CG1 4.05Å; L111-I149 HydrophobicContact CD2-CG2 4.48Å; I114-I149 HydrophobicContact CB-CD1 4.14Å; I114-I149 HydrophobicContact CG2-CD1 3.88Å; E115-I149 HydrophobicContact CB-CD1 3.79Å; E115-I149 HydrophobicContact CB-CG2 4.33Å; I145-I149 HydrophobicContact CG2-CD1 4.02Å; I145-I149 VanDerWaalsContact O-CG1 3.28Å; I145-I149 WeakPolarHBondContact O-CG1 3.08Å; I145-I149 PolarHBondContact O-N 3.49Å; L146-I149 PolarHBondContact O-N 2.93Å; I149-K151 VanDerWaalsContact C-N 3.28Å; I149-K151 PolarHBondContact O-N 3.32Å; I149-Q152 PolarHBondContact O-N 3.37Å; I149-R153 PolarHBondContact O-N 3.06Å
150A97.7Very high96.9Very high28 Ų2854.2 Ų54.223%0.23129%0.291CS..Hα-helixtrans-60.3-40.3177.800000112L146 A147 W148 R153 A154 N168L146-A150 PolarHBondContact O-N 3.25Å; A147-A150 PolarHBondContact O-N 2.86Å; W148-A150 VanDerWaalsContact C-N 3.33Å; W148-A150 PolarHBondContact O-N 3.31Å; A150-R153 PolarHBondContact O-N 3.32Å; A150-A154 WeakPolarHBondContact O-CB 3.04Å; A150-A154 PolarHBondContact O-N 3.27Å; A150-N168 VanDerWaalsContact CA-OD1 3.26Å; A150-N168 WeakPolarHBondContact CA-OD1 3.25Å; A150-N168 WeakPolarHBondContact CB-OD1 3.47Å
151K96.6Very high96.8Very high98 Ų9851 Ų5143%0.42628%0.278SS..Hα-helixtrans-64.4-47.2174.2-174.2-175.2172.3-169.60112.1E44 A147 W148 I149 R153 A154 E155E44-K151 IonicContact OE1-NZ 2.66Å; E44-K151 WeakPolarHBondContact OE2-CD 3.46Å; E44-K151 IonicContact OE2-NZ 2.84Å; E44-K151 PolarHBondContact OE2-NZ 2.76Å; A147-K151 PolarHBondContact O-N 3.36Å; W148-K151 WeakPolarHBondContact O-CB 3.38Å; W148-K151 PolarHBondContact O-N 2.8Å; I149-K151 VanDerWaalsContact C-N 3.28Å; I149-K151 PolarHBondContact O-N 3.32Å; K151-R153 VanDerWaalsContact C-N 3.28Å; K151-R153 PolarHBondContact O-N 2.83Å; K151-A154 PolarHBondContact O-N 3.39Å; K151-E155 WeakPolarHBondContact O-CB 3.38Å; K151-E155 PolarHBondContact O-N 3.28Å
152Q97Very high96.8Very high6 Ų649.1 Ų49.13%0.02827%0.27CS..Hα-helixtrans-56.3-42.8176.8-69.5-70.4-59.900111.6L111 W148 I149 Y156L111-Q152 HydrophobicContact CD1-CB 3.88Å; L111-Q152 HydrophobicContact CD2-CB 4.33Å; L111-Q152 HydrophobicContact CD2-CG 4.39Å; W148-Q152 HydrophobicContact CD2-CG 4.2Å; W148-Q152 HydrophobicContact CG-CG 4.45Å; W148-Q152 HydrophobicContact CZ2-CG 3.77Å; W148-Q152 WeakPolarHBondContact O-CG 3.35Å; W148-Q152 PolarHBondContact O-N 2.63Å; I149-Q152 PolarHBondContact O-N 3.37Å; Q152-Y156 WeakPolarHBondContact O-CB 3.31Å; Q152-Y156 VanDerWaalsContact O-CD2 3.29Å; Q152-Y156 WeakPolarHBondContact O-CD2 3.41Å; Q152-Y156 PolarHBondContact O-N 3.29Å
153R96.9Very high96.8Very high4 Ų448.3 Ų48.32%0.01527%0.269CS..Hα-helixtrans-65-49.2175.6-73.1-177-174.5139.61.9112.2N112 E115 I149 A150 K151 E155 Y157 A158 N168N112-R153 PolarHBondContact OD1-NH2 2.85Å; E115-R153 VanDerWaalsContact CD-NH2 3.27Å; E115-R153 IonicContact OE1-CZ 2.64Å; E115-R153 IonicContact OE1-NH1 2.72Å; E115-R153 PolarHBondContact OE1-NH1 3.2Å; E115-R153 IonicContact OE1-NH2 3.34Å; E115-R153 IonicContact OE2-CZ 3.31Å; E115-R153 VanDerWaalsContact OE2-CZ 3.32Å; E115-R153 IonicContact OE2-NH1 2.71Å; E115-R153 PolarHBondContact OE2-NH1 3.46Å; E115-R153 VanDerWaalsContact OE2-NH1 3.12Å; E115-R153 IonicContact OE2-NH2 3.18Å; E115-R153 PolarHBondContact OE2-NH2 2.87Å; I149-R153 PolarHBondContact O-N 3.06Å; A150-R153 PolarHBondContact O-N 3.32Å; K151-R153 VanDerWaalsContact C-N 3.28Å; K151-R153 PolarHBondContact O-N 2.83Å; R153-E155 PolarHBondContact O-N 3.02Å; R153-Y157 CarbonylContact O-C 3.5Å; R153-Y157 WeakPolarHBondContact O-CA 3.39Å; R153-Y157 PolarHBondContact O-N 2.68Å; R153-A158 PolarHBondContact O-N 3.05Å; R153-N168 WeakPolarHBondContact CD-OD1 3.47Å; R153-N168 PolarHBondContact NH1-O 3.45Å; R153-N168 PolarHBondContact NH1-OD1 3.12Å; R153-N168 VanDerWaalsContact NH1-OD1 3.11Å
154A96.2Very high96.7Very high47 Ų4750.6 Ų50.639%0.38828%0.279SS..Hα-helixtrans-59.8-35.7-179.300000112.7A150 K151A150-A154 WeakPolarHBondContact O-CB 3.04Å; A150-A154 PolarHBondContact O-N 3.27Å; K151-A154 PolarHBondContact O-N 3.39Å
155E95.6Very high96.6Very high108 Ų10850.1 Ų50.151%0.50528%0.276SS..Hα-helixtrans-80.1-44-177.8-170.3175.2158.800113.1K151 R153K151-E155 WeakPolarHBondContact O-CB 3.38Å; K151-E155 PolarHBondContact O-N 3.28Å; R153-E155 PolarHBondContact O-N 3.02Å
156Y96.1Very high96.6Very high97 Ų9750.3 Ų50.338%0.3828%0.277SS..Hα-helixtrans-110.2-18.3-167.9-58.5-60.6000115.2P105 Q152P105-Y156 HydrophobicContact CB-CD1 4.12Å; P105-Y156 HydrophobicContact CB-CD2 3.64Å; P105-Y156 HydrophobicContact CB-CE2 4.11Å; P105-Y156 HydrophobicContact CB-CG 3.65Å; P105-Y156 HydrophobicContact CG-CG 4.45Å; Q152-Y156 WeakPolarHBondContact O-CB 3.31Å; Q152-Y156 VanDerWaalsContact O-CD2 3.29Å; Q152-Y156 WeakPolarHBondContact O-CD2 3.41Å; Q152-Y156 PolarHBondContact O-N 3.29Å
157Y96.2Very high96.5Very high44 Ų4451.7 Ų51.717%0.17328%0.28CS..THydrogen-bonded Turntrans-132.9-29.2-162.6-61-48.1000115.3V106 Q108 L111 R153 S159V106-Y157 WeakPolarHBondContact O-CE2 3.3Å; V106-Y157 PolarHBondContact O-OH 2.72Å; Q108-Y157 HydrophobicContact CG-CD1 3.75Å; Q108-Y157 HydrophobicContact CG-CD2 3.45Å; Q108-Y157 VanDerWaalsContact CG-CD2 3.45Å; Q108-Y157 HydrophobicContact CG-CE1 3.83Å; Q108-Y157 HydrophobicContact CG-CE2 3.56Å; Q108-Y157 HydrophobicContact CG-CG 3.54Å; L111-Y157 HydrophobicContact CD1-CD2 4.19Å; L111-Y157 HydrophobicContact CD1-CE2 3.72Å; R153-Y157 CarbonylContact O-C 3.5Å; R153-Y157 WeakPolarHBondContact O-CA 3.39Å; R153-Y157 PolarHBondContact O-N 2.68Å; Y157-S159 PolarHBondContact O-N 3.33Å
158A95.5Very high96.4Very high14 Ų1451.9 Ų51.912%0.11627%0.272CS..  trans-66.9125.8-178.300000110.7R153 R167R153-A158 PolarHBondContact O-N 3.05Å; A158-R167 HydrophobicContact CB-CB 4.33Å
159S94.6Very high96.4Very high37 Ų3753.1 Ų53.126%0.25928%0.278SS..  trans-70.6148176.1-172.80000110.8Y157 D161 T162 R167Y157-S159 PolarHBondContact O-N 3.33Å; S159-D161 VanDerWaalsContact CB-OD1 3.24Å; S159-D161 WeakPolarHBondContact CB-OD1 3.34Å; S159-D161 PolarHBondContact O-N 3.24Å; S159-D161 PolarHBondContact OG-OD1 2.81Å; S159-T162 WeakPolarHBondContact CB-OG1 3.47Å; S159-T162 WeakPolarHBondContact O-CB 3.23Å; S159-T162 PolarHBondContact O-N 3.36Å; S159-R167 PolarHBondContact O-NH1 3.43Å; S159-R167 VanDerWaalsContact O-NH1 3.13Å
160N93.7Very high96.4Very high158 Ų15853.5 Ų53.585%0.84528%0.281SS*.THydrogen-bonded Turntrans-64.5-27.5-179.7-73.1-20.4000112.9
161D95.7Very high96.4Very high61 Ų6152.2 Ų52.233%0.32627%0.27SS..THydrogen-bonded Turntrans-90.20.7179.467.2-20.4000113.6S159 R327S159-D161 VanDerWaalsContact CB-OD1 3.24Å; S159-D161 WeakPolarHBondContact CB-OD1 3.34Å; S159-D161 PolarHBondContact O-N 3.24Å; S159-D161 PolarHBondContact OG-OD1 2.81Å; D161-R327 WeakPolarHBondContact O-CG 3.33Å; D161-R327 IonicContact OD2-CZ 3.47Å; D161-R327 VanDerWaalsContact OD2-CZ 3.24Å; D161-R327 IonicContact OD2-NE 3.59Å; D161-R327 PolarHBondContact OD2-NE 3.29Å; D161-R327 IonicContact OD2-NH2 3.32Å; D161-R327 PolarHBondContact OD2-NH2 3.47Å
162T97.6Very high96.4Very high6 Ų647.8 Ų47.84%0.03725%0.25CS..SBendtrans-77.4132.5175.8-56.80000110.5S159 H166 R167 Q172 P173 L326S159-T162 WeakPolarHBondContact CB-OG1 3.47Å; S159-T162 WeakPolarHBondContact O-CB 3.23Å; S159-T162 PolarHBondContact O-N 3.36Å; T162-H166 HydrophobicContact CG2-CB 3.94Å; T162-R167 HydrophobicContact CG2-CG 4.26Å; T162-Q172 PolarHBondContact OG1-OE1 3.1Å; T162-Q172 VanDerWaalsContact OG1-OE1 3.11Å; T162-P173 WeakPolarHBondContact OG1-CD 3.28Å; T162-P173 WeakPolarHBondContact OG1-CG 3.31Å; T162-L326 WeakPolarHBondContact CG2-O 3.49Å
163A97.8Very high96.5Very high9 Ų947.6 Ų47.67%0.07425%0.25CC..  trans-61.2143.5179.700000111E165 H166 R167 L326A163-E165 HydrophobicContact CB-CG 4.47Å; A163-E165 PolarHBondContact O-N 2.98Å; A163-E165 VanDerWaalsContact O-N 3.11Å; A163-H166 PolarHBondContact O-N 3.02Å; A163-R167 WeakPolarHBondContact O-CG 3.44Å; A163-R167 PolarHBondContact O-N 3.42Å; A163-L326 PolarHBondContact N-O 3.3Å
164P96.7Very high96.6Very high106 Ų10647.4 Ų47.469%0.68825%0.249SC*.G310 helixtrans-48.4-42.5-173.2-30.536.4000115H166 R167P164-H166 VanDerWaalsContact C-N 3.29Å; P164-H166 PolarHBondContact O-N 3.32Å; P164-R167 PolarHBondContact O-N 3.37Å
165E95.4Very high96.6Very high113 Ų11346.6 Ų46.653%0.52824%0.24SC..G310 helixtrans-65.6-27.3179.460.8-87.2-156.300113.7A163A163-E165 HydrophobicContact CB-CG 4.47Å; A163-E165 PolarHBondContact O-N 2.98Å; A163-E165 VanDerWaalsContact O-N 3.11Å
166H96.9Very high96.6Very high12 Ų1245.6 Ų45.66%0.05624%0.235CC..G310 helixtrans-100.6-3.2-177-59.4-41.1000112.9T162 A163 P164 N168 E169 W325 L326 E330T162-H166 HydrophobicContact CG2-CB 3.94Å; A163-H166 PolarHBondContact O-N 3.02Å; P164-H166 VanDerWaalsContact C-N 3.29Å; P164-H166 PolarHBondContact O-N 3.32Å; H166-N168 PolarHBondContact O-N 3.31Å; H166-E169 HydrophobicContact CB-CG 4.3Å; H166-E169 VanDerWaalsContact O-CB 3.32Å; H166-E169 WeakPolarHBondContact O-CB 3.36Å; H166-E169 PolarHBondContact O-N 3.35Å; H166-W325 PolarHBondContact CD2-O 2.99Å; H166-W325 AromaticContact CE1-CE2 3.55Å; H166-W325 AromaticContact CE1-CH2 3.42Å; H166-W325 VanDerWaalsContact CE1-CH2 3.42Å; H166-W325 WeakPolarHBondContact CE1-CH2 2.97Å; H166-W325 AromaticContact CE1-CZ2 3.1Å; H166-W325 WeakPolarHBondContact CE1-CZ2 3.36Å; H166-W325 AromaticContact ND1-CH2 3.49Å; H166-W325 WeakPolarHBondContact ND1-CH2 3.34Å; H166-W325 AromaticContact ND1-CZ2 3.7Å; H166-W325 AromaticContact NE2-CE2 3.62Å; H166-W325 AromaticContact NE2-CZ2 3.68Å; H166-W325 AromaticContact NE2-NE1 3.86Å; H166-W325 PolarHBondContact NE2-O 3.16Å; H166-L326 HydrophobicContact CB-CD2 4.04Å; H166-E330 IonicContact CE1-OE1 3.28Å; H166-E330 IonicContact NE2-OE1 2.68Å; H166-E330 PolarHBondContact NE2-OE1 2.92Å; H166-E330 VanDerWaalsContact NE2-OE1 3.12Å
167R96.4Very high96.5Very high72 Ų7249.4 Ų49.427%0.27225%0.254SS..THydrogen-bonded Turntrans-61.2-27.6-177.5-71.1-179.66777.82.7114A158 S159 T162 A163 P164A158-R167 HydrophobicContact CB-CB 4.33Å; S159-R167 PolarHBondContact O-NH1 3.43Å; S159-R167 VanDerWaalsContact O-NH1 3.13Å; T162-R167 HydrophobicContact CG2-CG 4.26Å; A163-R167 WeakPolarHBondContact O-CG 3.44Å; A163-R167 PolarHBondContact O-N 3.42Å; P164-R167 PolarHBondContact O-N 3.37Å
168N97.1Very high96.5Very high65 Ų6549.5 Ų49.535%0.34826%0.257SS..THydrogen-bonded Turntrans-92.92.3178-168.831.9000113.3A150 R153 H166A150-N168 VanDerWaalsContact CA-OD1 3.26Å; A150-N168 WeakPolarHBondContact CA-OD1 3.25Å; A150-N168 WeakPolarHBondContact CB-OD1 3.47Å; R153-N168 WeakPolarHBondContact CD-OD1 3.47Å; R153-N168 PolarHBondContact NH1-O 3.45Å; R153-N168 PolarHBondContact NH1-OD1 3.12Å; R153-N168 VanDerWaalsContact NH1-OD1 3.11Å; H166-N168 PolarHBondContact O-N 3.31Å
169E97.5Very high96.5Very high31 Ų3154.1 Ų54.115%0.14529%0.286CS..SBendtrans-63.9147.8175-71.9-71.3153.200110.6H166 V171 Q172 Y341 K345H166-E169 HydrophobicContact CB-CG 4.3Å; H166-E169 VanDerWaalsContact O-CB 3.32Å; H166-E169 WeakPolarHBondContact O-CB 3.36Å; H166-E169 PolarHBondContact O-N 3.35Å; E169-V171 PolarHBondContact O-N 3.3Å; E169-Q172 PolarHBondContact O-NE2 2.88Å; E169-Y341 VanDerWaalsContact OE2-CE1 3.24Å; E169-Y341 WeakPolarHBondContact OE2-CE1 3.33Å; E169-Y341 VanDerWaalsContact OE2-CZ 3.26Å; E169-Y341 PolarHBondContact OE2-OH 3.41Å; E169-K345 VanDerWaalsContact CD-NZ 3.31Å; E169-K345 IonicContact OE1-NZ 3.59Å; E169-K345 PolarHBondContact OE1-NZ 2.91Å; E169-K345 WeakPolarHBondContact OE2-CD 3.46Å; E169-K345 IonicContact OE2-NZ 3.74Å; E169-K345 PolarHBondContact OE2-NZ 2.9Å
170P97.2Very high96.7Very high8 Ų855.2 Ų55.25%0.05229%0.291CS..SBendtrans-66.90.4177.827.9-34.7000113.6N112 K345 A350 G354 G355N112-P170 VanDerWaalsContact ND2-CB 3.34Å; N112-P170 WeakPolarHBondContact ND2-CB 3.35Å; P170-K345 HydrophobicContact CG-CD 4.43Å; P170-A350 HydrophobicContact CB-CB 4.31Å; P170-A350 HydrophobicContact CG-CB 3.82Å; P170-G354 CarbonylContact O-C 3.55Å; P170-G354 VanDerWaalsContact O-CA 3.27Å; P170-G354 WeakPolarHBondContact O-CA 3.45Å; P170-G355 PolarHBondContact O-N 2.73Å
171V97.6Very high96.9Very high0 Ų051.1 Ų51.10%027%0.269CS..  trans-132.1149.1-174.1-179.80000108.7E169 F322 L326 G355 L358E169-V171 PolarHBondContact O-N 3.3Å; V171-F322 HydrophobicContact CB-CE1 4.31Å; V171-F322 HydrophobicContact CG1-CE1 3.7Å; V171-L326 HydrophobicContact CG1-CD1 4.3Å; V171-G355 WeakPolarHBondContact CG1-O 3.15Å; V171-L358 HydrophobicContact CB-CG 4.4Å; V171-L358 HydrophobicContact CG1-CD1 3.54Å; V171-L358 HydrophobicContact CG1-CD2 4.22Å; V171-L358 HydrophobicContact CG1-CG 3.63Å; V171-L358 HydrophobicContact CG2-CD2 4Å; V171-L358 HydrophobicContact CG2-CG 3.79Å
172Q97.6Very high96.9Very high5 Ų551.6 Ų51.62%0.02328%0.281CS..  trans-130.7154.2179.8-64-63.9-54.200109.5T162 E169 I356 R403T162-Q172 PolarHBondContact OG1-OE1 3.1Å; T162-Q172 VanDerWaalsContact OG1-OE1 3.11Å; E169-Q172 PolarHBondContact O-NE2 2.88Å; Q172-I356 HydrophobicContact CB-CG1 4.32Å; Q172-I356 WeakPolarHBondContact O-CA 3.09Å; Q172-R403 PolarHBondContact O-NH2 2.9Å
173P98.2Very high96.8Very high2 Ų257.2 Ų57.21%0.01331%0.307CS..PPolyproline II helixtrans-68.9151.2-178.529.3-34.4000111.5T162 D323 L326 R327T162-P173 WeakPolarHBondContact OG1-CD 3.28Å; T162-P173 WeakPolarHBondContact OG1-CG 3.31Å; P173-D323 VanDerWaalsContact CA-OD1 3.22Å; P173-D323 WeakPolarHBondContact CA-OD1 3.36Å; P173-D323 HydrophobicContact CB-CB 4.05Å; P173-L326 HydrophobicContact CB-CB 4.31Å; P173-L326 HydrophobicContact CB-CD1 4.22Å; P173-L326 HydrophobicContact CG-CB 4.48Å; P173-R327 HydrophobicContact CG-CG 4.47Å
174I98.3Very high96.9Very high0 Ų059 Ų590%031%0.314CS..PPolyproline II helixtrans-63.4130168.3-66169.8000108.4N239 F242 I316 T317 P318 D323 R327 I356 R403I174-N239 WeakPolarHBondContact CD1-OD1 3.26Å; I174-F242 HydrophobicContact CG2-CE2 4.25Å; I174-I316 HydrophobicContact CG2-CB 4.18Å; I174-T317 WeakPolarHBondContact CD1-O 3.33Å; I174-P318 HydrophobicContact CG2-CB 4.16Å; I174-D323 PolarHBondContact N-OD1 3.18Å; I174-R327 PolarHBondContact O-NH2 3.42Å; I174-I356 HydrophobicContact CB-CG2 4.39Å; I174-I356 HydrophobicContact CG1-CG2 3.94Å; I174-R403 HydrophobicContact CD1-CB 4.14Å; I174-R403 HydrophobicContact CD1-CG 3.75Å; I174-R403 HydrophobicContact CG1-CG 4.38Å
175P97.2Very high96.9Very high30 Ų3054.1 Ų54.120%0.19528%0.282CS..PPolyproline II helixtrans-61.7147.3177.227.4-35.5000110.8K177 L178 F242 I316P175-K177 PolarHBondContact O-N 2.87Å; P175-L178 HydrophobicContact CG-CD2 3.89Å; P175-L178 HydrophobicContact CG-CG 4.45Å; P175-F242 HydrophobicContact CG-CE1 3.89Å; P175-F242 HydrophobicContact CG-CZ 3.5Å; P175-F242 VanDerWaalsContact CG-CZ 3.5Å; P175-I316 WeakPolarHBondContact O-CD1 3.47Å
176Q95.5Very high97Very high88 Ų8849.7 Ų49.741%0.41126%0.264SS..SBendtrans-65.3-26.7-177.3-68.3-63.5-17.700113.7D319 R327Q176-D319 PolarHBondContact NE2-OD1 3.13Å; Q176-D319 PolarHBondContact OE1-OD1 2.8Å; Q176-R327 VanDerWaalsContact NE2-CZ 3.27Å
177K93.8Very high97.1Very high177 Ų17749.1 Ų49.177%0.7726%0.261SS*.  trans-156.2156.2176.563.2-178.4-177.7179.50110.3P175P175-K177 PolarHBondContact O-N 2.87Å
178L96Very high97.2Very high45 Ų4545.7 Ų45.724%0.23625%0.248CC..  trans-114149.9167.7-69178.3000110.1P175 T180 V241 F242 I316P175-L178 HydrophobicContact CG-CD2 3.89Å; P175-L178 HydrophobicContact CG-CG 4.45Å; L178-T180 PolarHBondContact O-N 3.05Å; L178-V241 HydrophobicContact CD1-CB 4.35Å; L178-V241 HydrophobicContact CD1-CG1 3.54Å; L178-V241 HydrophobicContact CD1-CG2 3.92Å; L178-F242 HydrophobicContact CD1-CE1 4.14Å; L178-F242 HydrophobicContact CD1-CZ 3.85Å; L178-F242 HydrophobicContact CD2-CE1 4.18Å; L178-F242 HydrophobicContact CD2-CZ 4.25Å; L178-F242 HydrophobicContact CG-CZ 4.33Å; L178-I316 HydrophobicContact CD1-CG2 3.78Å; L178-I316 HydrophobicContact CG-CD1 4.2Å; L178-I316 HydrophobicContact CG-CG2 4.4Å
179P96.7Very high97.2Very high112 Ų11244.4 Ų44.473%0.72724%0.24SC*.  trans-67.8128.1173.928.1-33.4000110.4K313P179-K313 VanDerWaalsContact O-CE 3.27Å; P179-K313 WeakPolarHBondContact O-CE 3.32Å; P179-K313 PolarHBondContact O-NZ 3.29Å
180T97.4Very high97.2Very high59 Ų5944.1 Ų44.136%0.36224%0.243SC..  trans-139.3155.5177.8580000112.9L178 V185 E310 K313 T314L178-T180 PolarHBondContact O-N 3.05Å; T180-V185 HydrophobicContact CG2-CG2 4.27Å; T180-E310 WeakPolarHBondContact CA-OE1 3.48Å; T180-E310 WeakPolarHBondContact CB-OE1 3.26Å; T180-K313 HydrophobicContact CG2-CB 3.86Å; T180-T314 HydrophobicContact CG2-CG2 4.03Å
181D97.6Very high97.3Very high72 Ų7243.8 Ų43.839%0.38524%0.24SC..  trans-84.1112.1166.8-178-40.4000110.1Q183 K184 V185 E310D181-Q183 VanDerWaalsContact C-N 3.28Å; D181-Q183 PolarHBondContact O-N 3.29Å; D181-Q183 PolarHBondContact OD1-N 3.12Å; D181-K184 HydrophobicContact CB-CB 4.01Å; D181-K184 HydrophobicContact CB-CD 4.08Å; D181-K184 HydrophobicContact CB-CG 4.11Å; D181-K184 PolarHBondContact O-N 3.32Å; D181-K184 PolarHBondContact OD1-N 2.74Å; D181-K184 VanDerWaalsContact OD1-N 3.14Å; D181-V185 VanDerWaalsContact O-CG2 3.25Å; D181-V185 WeakPolarHBondContact O-CG2 3.4Å; D181-V185 PolarHBondContact O-N 3.42Å; D181-E310 HydrophobicContact CB-CG 4.35Å; D181-E310 PolarHBondContact N-OE1 3.06Å
182A96.3Very high97.3Very high71 Ų7143.8 Ų43.859%0.58724%0.24SC*.Hα-helixtrans-61.1-32.4-17500000114A186A182-A186 WeakPolarHBondContact O-CB 3.25Å; A182-A186 PolarHBondContact O-N 3.07Å
183Q96.6Very high97.3Very high125 Ų12547 Ų4758%0.58426%0.255SS*.Hα-helixtrans-74.4-42.6-179.6-57.5-175.715.100110.6D181 A186 L187 V294D181-Q183 VanDerWaalsContact C-N 3.28Å; D181-Q183 PolarHBondContact O-N 3.29Å; D181-Q183 PolarHBondContact OD1-N 3.12Å; Q183-A186 PolarHBondContact O-N 3.07Å; Q183-L187 PolarHBondContact O-N 3.23Å; Q183-L187 VanDerWaalsContact O-N 3.14Å; Q183-V294 HydrophobicContact CB-CG2 3.9Å
184K98.1Very high97.3Very high47 Ų4747.2 Ų47.220%0.20426%0.257CS..Hα-helixtrans-62.9-41.8172.5-71.9-173178.1-162.70112D181 A186 L187 G188 V294 Y295 D306 E310D181-K184 HydrophobicContact CB-CB 4.01Å; D181-K184 HydrophobicContact CB-CD 4.08Å; D181-K184 HydrophobicContact CB-CG 4.11Å; D181-K184 PolarHBondContact O-N 3.32Å; D181-K184 PolarHBondContact OD1-N 2.74Å; D181-K184 VanDerWaalsContact OD1-N 3.14Å; K184-A186 VanDerWaalsContact C-N 3.35Å; K184-A186 PolarHBondContact O-N 3.46Å; K184-L187 PolarHBondContact O-N 3.4Å; K184-G188 PolarHBondContact O-N 3.3Å; K184-V294 HydrophobicContact CB-CG1 4.4Å; K184-V294 HydrophobicContact CG-CG1 3.48Å; K184-V294 VanDerWaalsContact CG-CG1 3.48Å; K184-Y295 WeakPolarHBondContact CD-OH 3.09Å; K184-Y295 WeakPolarHBondContact CE-OH 3.04Å; K184-D306 IonicContact NZ-OD1 2.68Å; K184-D306 IonicContact NZ-OD2 2.89Å; K184-D306 PolarHBondContact NZ-OD2 3.19Å; K184-E310 HydrophobicContact CB-CB 3.92Å; K184-E310 HydrophobicContact CB-CG 3.6Å; K184-E310 HydrophobicContact CD-CB 4.47Å; K184-E310 HydrophobicContact CD-CG 4.18Å
185V98.1Very high97.3Very high3 Ų349.5 Ų49.52%0.01827%0.271CS..Hα-helixtrans-58.6-46.1175169.70000111T180 D181 L187 G188 F189 E310 F311 T314 Y458T180-V185 HydrophobicContact CG2-CG2 4.27Å; D181-V185 VanDerWaalsContact O-CG2 3.25Å; D181-V185 WeakPolarHBondContact O-CG2 3.4Å; D181-V185 PolarHBondContact O-N 3.42Å; V185-L187 VanDerWaalsContact C-N 3.29Å; V185-L187 PolarHBondContact O-N 3.01Å; V185-G188 PolarHBondContact O-N 3.27Å; V185-F189 WeakPolarHBondContact O-CB 3.45Å; V185-F189 PolarHBondContact O-N 2.92Å; V185-E310 HydrophobicContact CG2-CG 4.13Å; V185-F311 HydrophobicContact CG1-CD2 4.18Å; V185-T314 HydrophobicContact CG1-CG2 3.84Å; V185-T314 HydrophobicContact CG2-CG2 3.81Å; V185-Y458 HydrophobicContact CG1-CD2 3.74Å; V185-Y458 HydrophobicContact CG1-CE1 4.43Å; V185-Y458 HydrophobicContact CG1-CE2 3.37Å; V185-Y458 HydrophobicContact CG1-CG 4.44Å
186A97.5Very high97.4Very high19 Ų1951.1 Ų51.116%0.15727%0.274CS..Hα-helixtrans-61.2-39.5179.500000112.4A182 Q183 K184 A190 Q290 Y458 Q460A182-A186 WeakPolarHBondContact O-CB 3.25Å; A182-A186 PolarHBondContact O-N 3.07Å; Q183-A186 PolarHBondContact O-N 3.07Å; K184-A186 VanDerWaalsContact C-N 3.35Å; K184-A186 PolarHBondContact O-N 3.46Å; A186-A190 PolarHBondContact O-N 3.17Å; A186-Q290 PolarHBondContact O-NE2 3.45Å; A186-Y458 WeakPolarHBondContact CA-OH 3.23Å; A186-Y458 VanDerWaalsContact CB-OH 3.3Å; A186-Y458 WeakPolarHBondContact CB-OH 3.39Å; A186-Q460 PolarHBondContact O-NE2 2.94Å
187L98.1Very high97.5Very high0 Ų047 Ų470%025%0.254CS..Hα-helixtrans-72.1-43.9176.3178.860.6000111.8Q183 K184 V185 F189 A190 L191 L287 Q290 F291 V294 Y295 A307Q183-L187 PolarHBondContact O-N 3.23Å; Q183-L187 VanDerWaalsContact O-N 3.14Å; K184-L187 PolarHBondContact O-N 3.4Å; V185-L187 VanDerWaalsContact C-N 3.29Å; V185-L187 PolarHBondContact O-N 3.01Å; L187-F189 VanDerWaalsContact C-N 3.33Å; L187-F189 PolarHBondContact O-N 3.49Å; L187-A190 WeakPolarHBondContact O-CB 3.16Å; L187-A190 PolarHBondContact O-N 3.07Å; L187-A190 VanDerWaalsContact O-N 3.17Å; L187-L191 HydrophobicContact CD1-CD1 4.18Å; L187-L191 HydrophobicContact CD1-CG 4.39Å; L187-L191 HydrophobicContact CG-CD1 3.92Å; L187-L191 WeakPolarHBondContact O-CG 3.05Å; L187-L191 PolarHBondContact O-N 2.92Å; L187-L287 HydrophobicContact CD1-CD1 3.87Å; L187-Q290 HydrophobicContact CD1-CG 4.14Å; L187-F291 HydrophobicContact CD1-CB 4.31Å; L187-F291 HydrophobicContact CD1-CD2 3.89Å; L187-F291 HydrophobicContact CD1-CG 4.46Å; L187-F291 HydrophobicContact CD2-CB 4.44Å; L187-F291 HydrophobicContact CD2-CD2 3.79Å; L187-F291 HydrophobicContact CD2-CE2 4.14Å; L187-F291 HydrophobicContact CD2-CG 4.1Å; L187-F291 HydrophobicContact CG-CD2 4.28Å; L187-V294 HydrophobicContact CB-CG2 4.4Å; L187-V294 HydrophobicContact CD2-CB 3.97Å; L187-V294 HydrophobicContact CD2-CG1 4.28Å; L187-V294 HydrophobicContact CD2-CG2 4.07Å; L187-Y295 HydrophobicContact CD2-CD2 3.89Å; L187-Y295 HydrophobicContact CD2-CE2 3.77Å; L187-A307 HydrophobicContact CB-CB 4.43Å; L187-A307 HydrophobicContact CD2-CB 4.11Å; L187-A307 HydrophobicContact CG-CB 4.06Å
188G98.4Very high97.8Very high0 Ų038.5 Ų38.50%022%0.217CC..Hα-helixtrans-60.1-41.6176.300000112.6K184 V185 A190 L191 Y192 A307K184-G188 PolarHBondContact O-N 3.3Å; V185-G188 PolarHBondContact O-N 3.27Å; G188-A190 VanDerWaalsContact C-N 3.34Å; G188-A190 PolarHBondContact O-N 2.89Å; G188-L191 PolarHBondContact O-N 3.42Å; G188-Y192 VanDerWaalsContact O-CB 3.22Å; G188-Y192 WeakPolarHBondContact O-CB 3.34Å; G188-Y192 PolarHBondContact O-N 3.33Å; G188-A307 VanDerWaalsContact CA-C 3.45Å; G188-A307 WeakPolarHBondContact CA-O 3.42Å
189F98Very high97.9Very high39 Ų3937.9 Ų37.917%0.17122%0.218CC..Hα-helixtrans-59.1-45.4173.4175.2-94.2000111.5V185 L187 H193 F311 Y458 Q460V185-F189 WeakPolarHBondContact O-CB 3.45Å; V185-F189 PolarHBondContact O-N 2.92Å; L187-F189 VanDerWaalsContact C-N 3.33Å; L187-F189 PolarHBondContact O-N 3.49Å; F189-H193 AromaticContact CD2-CE1 3.65Å; F189-H193 AromaticContact CD2-ND1 3.88Å; F189-H193 AromaticContact CE2-CE1 3.31Å; F189-H193 WeakPolarHBondContact CE2-CE1 3.47Å; F189-H193 AromaticContact CE2-ND1 3.78Å; F189-H193 AromaticContact CZ-CE1 3.8Å; F189-H193 AromaticContact CZ-ND1 3.97Å; F189-H193 PolarHBondContact O-N 2.8Å; F189-H193 PolarHBondContact O-ND1 2.99Å; F189-F311 HydrophobicContact CB-CD2 3.83Å; F189-F311 HydrophobicContact CB-CE2 4.03Å; F189-F311 HydrophobicContact CB-CG 4.21Å; F189-F311 HydrophobicContact CD2-CD2 4.24Å; F189-F311 HydrophobicContact CD2-CE1 4.41Å; F189-F311 AromaticContact CD2-CE2 3.54Å; F189-F311 HydrophobicContact CD2-CE2 3.54Å; F189-F311 AromaticContact CD2-CZ 3.63Å; F189-F311 HydrophobicContact CD2-CZ 3.63Å; F189-F311 HydrophobicContact CE2-CZ 4.4Å; F189-F311 HydrophobicContact CG-CE2 4.28Å; F189-Y458 HydrophobicContact CB-CD1 3.81Å; F189-Y458 HydrophobicContact CB-CE1 3.94Å; F189-Y458 HydrophobicContact CD1-CD1 4.08Å; F189-Y458 HydrophobicContact CD1-CE1 4.35Å; F189-Y458 AromaticContact CD2-CD1 3.61Å; F189-Y458 HydrophobicContact CD2-CD1 3.61Å; F189-Y458 HydrophobicContact CD2-CG 4.25Å; F189-Y458 HydrophobicContact CE2-CD1 4.17Å; F189-Y458 AromaticContact CG-CD1 3.55Å; F189-Y458 HydrophobicContact CG-CD1 3.55Å; F189-Y458 HydrophobicContact CG-CE1 4.02Å; F189-Q460 HydrophobicContact CD1-CG 3.89Å; F189-Q460 HydrophobicContact CE1-CG 4.15Å
190A97.6Very high97.9Very high25 Ų2536 Ų3621%0.20720%0.202CC..Hα-helixtrans-61.4-47.817700000110.9A186 L187 G188 H193 D194 L287A186-A190 PolarHBondContact O-N 3.17Å; L187-A190 WeakPolarHBondContact O-CB 3.16Å; L187-A190 PolarHBondContact O-N 3.07Å; L187-A190 VanDerWaalsContact O-N 3.17Å; G188-A190 VanDerWaalsContact C-N 3.34Å; G188-A190 PolarHBondContact O-N 2.89Å; A190-H193 CarbonylContact O-C 3.54Å; A190-H193 PolarHBondContact O-N 3.25Å; A190-D194 WeakPolarHBondContact O-CB 3.39Å; A190-D194 PolarHBondContact O-N 3.38Å; A190-L287 HydrophobicContact CB-CD1 4.36Å
191L98.5Very high97.9Very high0 Ų035.4 Ų35.40%020%0.201CC..Hα-helixtrans-65.5-40.3180-69165.3000113.1L187 G188 H193 D194 L197 L281 L287 F291 I304 A307 I308L187-L191 HydrophobicContact CD1-CD1 4.18Å; L187-L191 HydrophobicContact CD1-CG 4.39Å; L187-L191 HydrophobicContact CG-CD1 3.92Å; L187-L191 WeakPolarHBondContact O-CG 3.05Å; L187-L191 PolarHBondContact O-N 2.92Å; G188-L191 PolarHBondContact O-N 3.42Å; L191-H193 PolarHBondContact O-N 3.41Å; L191-D194 WeakPolarHBondContact O-CB 3.47Å; L191-D194 PolarHBondContact O-N 3.46Å; L191-L197 VanDerWaalsContact O-CD1 3.26Å; L191-L197 WeakPolarHBondContact O-CD1 3.35Å; L191-L281 HydrophobicContact CD2-CD1 3.9Å; L191-L287 HydrophobicContact CD2-CD2 4.47Å; L191-F291 HydrophobicContact CD1-CE2 4.16Å; L191-I304 HydrophobicContact CD1-CG2 4.25Å; L191-I304 HydrophobicContact CD2-CG2 4.4Å; L191-A307 HydrophobicContact CD1-CB 3.82Å; L191-I308 HydrophobicContact CB-CD1 4.09Å; L191-I308 HydrophobicContact CB-CG1 3.74Å; L191-I308 HydrophobicContact CD1-CG1 4.49Å
192Y98.5Very high97.9Very high0 Ų035.8 Ų35.80%021%0.206CC..Hα-helixtrans-58.3-31.3176.9-177.8-86.1000112.4G188 S204 C205 A206 H209 L211 I308 F311 L315G188-Y192 VanDerWaalsContact O-CB 3.22Å; G188-Y192 WeakPolarHBondContact O-CB 3.34Å; G188-Y192 PolarHBondContact O-N 3.33Å; Y192-S204 WeakPolarHBondContact O-CB 3.4Å; Y192-C205 HydrophobicContact CD1-CB 4.31Å; Y192-C205 HydrophobicContact CD2-CB 3.52Å; Y192-C205 HydrophobicContact CE1-CB 4.39Å; Y192-C205 HydrophobicContact CE2-CB 3.61Å; Y192-C205 HydrophobicContact CG-CB 3.89Å; Y192-C205 WeakPolarHBondContact O-CB 3.34Å; Y192-C205 PolarHBondContact O-N 2.95Å; Y192-A206 HydrophobicContact CD1-CB 3.83Å; Y192-A206 VanDerWaalsContact CE1-CA 3.5Å; Y192-A206 HydrophobicContact CE1-CB 3.54Å; Y192-A206 PolarHBondContact O-N 3.27Å; Y192-A206 VanDerWaalsContact O-N 3.17Å; Y192-H209 WeakPolarHBondContact OH-CB 3.18Å; Y192-H209 PolarHBondContact OH-O 3.09Å; Y192-L211 HydrophobicContact CE1-CD1 4.03Å; Y192-L211 HydrophobicContact CE1-CD2 4.25Å; Y192-L211 HydrophobicContact CE1-CG 4.08Å; Y192-I308 HydrophobicContact CD2-CG2 4.39Å; Y192-F311 AromaticContact CD1-CE1 3.81Å; Y192-F311 HydrophobicContact CD1-CE1 3.81Å; Y192-F311 AromaticContact CD2-CD1 3.98Å; Y192-F311 HydrophobicContact CD2-CD1 3.98Å; Y192-F311 AromaticContact CD2-CE1 3.87Å; Y192-F311 HydrophobicContact CD2-CE1 3.87Å; Y192-F311 HydrophobicContact CE1-CE1 4.3Å; Y192-F311 HydrophobicContact CE2-CE1 4.35Å; Y192-F311 AromaticContact CG-CD1 3.87Å; Y192-F311 HydrophobicContact CG-CD1 3.87Å; Y192-F311 AromaticContact CG-CE1 3.58Å; Y192-F311 HydrophobicContact CG-CE1 3.58Å; Y192-L315 HydrophobicContact CE2-CD1 4.5Å
193H97.9Very high98Very high72 Ų7232.9 Ų32.933%0.33318%0.18SC..THydrogen-bonded Turntrans-97-3.2177.2-64.287.6000113.3F189 A190 L191 P195 S204 A206F189-H193 AromaticContact CD2-CE1 3.65Å; F189-H193 AromaticContact CD2-ND1 3.88Å; F189-H193 AromaticContact CE2-CE1 3.31Å; F189-H193 WeakPolarHBondContact CE2-CE1 3.47Å; F189-H193 AromaticContact CE2-ND1 3.78Å; F189-H193 AromaticContact CZ-CE1 3.8Å; F189-H193 AromaticContact CZ-ND1 3.97Å; F189-H193 PolarHBondContact O-N 2.8Å; F189-H193 PolarHBondContact O-ND1 2.99Å; A190-H193 CarbonylContact O-C 3.54Å; A190-H193 PolarHBondContact O-N 3.25Å; L191-H193 PolarHBondContact O-N 3.41Å; H193-P195 WeakPolarHBondContact O-CD 3.19Å; H193-S204 VanDerWaalsContact C-CB 3.46Å; H193-S204 WeakPolarHBondContact O-CB 3.37Å; H193-S204 PolarHBondContact O-OG 2.93Å; H193-A206 VanDerWaalsContact CD2-CB 3.48Å; H193-A206 WeakPolarHBondContact CD2-CB 3.49Å
194D98.2Very high98Very high8 Ų827.7 Ų27.74%0.04316%0.158CC..  trans-83.3113-174.1-163.8-32.7000111.4A190 L191 R196 L197 L281A190-D194 WeakPolarHBondContact O-CB 3.39Å; A190-D194 PolarHBondContact O-N 3.38Å; L191-D194 WeakPolarHBondContact O-CB 3.47Å; L191-D194 PolarHBondContact O-N 3.46Å; D194-R196 VanDerWaalsContact CG-NE 3.33Å; D194-R196 PolarHBondContact O-N 2.96Å; D194-R196 WeakPolarHBondContact OD1-CB 3.43Å; D194-R196 VanDerWaalsContact OD1-CG 3.32Å; D194-R196 WeakPolarHBondContact OD1-CG 3.2Å; D194-R196 IonicContact OD1-CZ 2.83Å; D194-R196 PolarHBondContact OD1-N 2.82Å; D194-R196 IonicContact OD1-NE 3.21Å; D194-R196 PolarHBondContact OD1-NE 3.34Å; D194-R196 IonicContact OD1-NH2 3.33Å; D194-R196 IonicContact OD2-CZ 3.64Å; D194-R196 IonicContact OD2-NE 2.81Å; D194-R196 PolarHBondContact OD2-NE 3.34Å; D194-R196 IonicContact OD2-NH2 2.7Å; D194-R196 PolarHBondContact OD2-NH2 2.96Å; D194-L197 PolarHBondContact O-N 2.76Å; D194-L281 VanDerWaalsContact OD2-CD2 3.31Å; D194-L281 WeakPolarHBondContact OD2-CD2 3.46Å
195P98.2Very high98Very high48 Ų4826.5 Ų26.531%0.31216%0.155SC..G310 helixtrans-72-15.5-177.333.6-38.2000112.4H193 L197 S198 S201 I203H193-P195 WeakPolarHBondContact O-CD 3.19Å; P195-L197 PolarHBondContact O-N 3.27Å; P195-L197 VanDerWaalsContact O-N 3.07Å; P195-S198 PolarHBondContact O-N 2.74Å; P195-S198 PolarHBondContact O-OG 3.45Å; P195-S201 WeakPolarHBondContact CB-O 3.26Å; P195-S201 VanDerWaalsContact O-CA 3.3Å; P195-S201 WeakPolarHBondContact O-CA 3.44Å; P195-I203 WeakPolarHBondContact CA-O 3.47Å; P195-I203 VanDerWaalsContact O-O 3.12Å
196R98.4Very high98Very high64 Ų6427.2 Ų27.224%0.24216%0.161CC..G310 helixtrans-64.6-11.9178.9-64.9171-74-155.81.5113.2D194 S198 K280 L281 D284D194-R196 VanDerWaalsContact CG-NE 3.33Å; D194-R196 PolarHBondContact O-N 2.96Å; D194-R196 WeakPolarHBondContact OD1-CB 3.43Å; D194-R196 VanDerWaalsContact OD1-CG 3.32Å; D194-R196 WeakPolarHBondContact OD1-CG 3.2Å; D194-R196 IonicContact OD1-CZ 2.83Å; D194-R196 PolarHBondContact OD1-N 2.82Å; D194-R196 IonicContact OD1-NE 3.21Å; D194-R196 PolarHBondContact OD1-NE 3.34Å; D194-R196 IonicContact OD1-NH2 3.33Å; D194-R196 IonicContact OD2-CZ 3.64Å; D194-R196 IonicContact OD2-NE 2.81Å; D194-R196 PolarHBondContact OD2-NE 3.34Å; D194-R196 IonicContact OD2-NH2 2.7Å; D194-R196 PolarHBondContact OD2-NH2 2.96Å; R196-S198 PolarHBondContact O-N 3.2Å; R196-K280 HydrophobicContact CB-CB 4.04Å; R196-K280 HydrophobicContact CG-CB 4.44Å; R196-K280 WeakPolarHBondContact O-CE 3.03Å; R196-K280 PolarHBondContact O-NZ 2.93Å; R196-L281 HydrophobicContact CB-CD2 3.75Å; R196-D284 IonicContact CZ-OD2 2.66Å; R196-D284 VanDerWaalsContact NH1-CB 3.29Å; R196-D284 IonicContact NH1-OD2 2.93Å; R196-D284 PolarHBondContact NH1-OD2 3.29Å; R196-D284 IonicContact NH2-OD2 3.12Å; R196-D284 PolarHBondContact NH2-OD2 3.27Å
197L98.5Very high97.9Very high0 Ų030.7 Ų30.70%017%0.174CC..G310 helixtrans-62.7-28.6167.1-66.6-177.8000112.3L191 D194 P195 M269 S271 I277 L281 I304 I308L191-L197 VanDerWaalsContact O-CD1 3.26Å; L191-L197 WeakPolarHBondContact O-CD1 3.35Å; D194-L197 PolarHBondContact O-N 2.76Å; P195-L197 PolarHBondContact O-N 3.27Å; P195-L197 VanDerWaalsContact O-N 3.07Å; L197-M269 HydrophobicContact CB-CE 3.28Å; L197-M269 HydrophobicContact CD1-CE 4.31Å; L197-M269 HydrophobicContact CG-CE 4.44Å; L197-S271 PolarHBondContact O-OG 3.23Å; L197-I277 HydrophobicContact CD2-CG2 3.61Å; L197-L281 HydrophobicContact CD2-CD1 4.34Å; L197-I304 HydrophobicContact CD2-CG2 4.05Å; L197-I308 HydrophobicContact CD1-CD1 4.02Å
198S98.6Very high97.8Very high0 Ų031.6 Ų31.60%018%0.18CC..SBendtrans-87.7151.317467.40000112.6P195 R196 D200 S201 T202 I203 M269 K280P195-S198 PolarHBondContact O-N 2.74Å; P195-S198 PolarHBondContact O-OG 3.45Å; R196-S198 PolarHBondContact O-N 3.2Å; S198-D200 PolarHBondContact O-N 2.83Å; S198-S201 PolarHBondContact O-N 2.91Å; S198-S201 VanDerWaalsContact O-N 3.09Å; S198-S201 PolarHBondContact OG-N 2.79Å; S198-T202 PolarHBondContact OG-N 2.92Å; S198-T202 VanDerWaalsContact OG-N 3.13Å; S198-I203 WeakPolarHBondContact CB-O 3.44Å; S198-I203 PolarHBondContact OG-N 3.45Å; S198-I203 PolarHBondContact OG-O 2.67Å; S198-M269 CarbonylContact C-O 3.55Å; S198-M269 WeakPolarHBondContact CA-O 3.48Å; S198-M269 WeakPolarHBondContact CB-O 3.29Å; S198-K280 PolarHBondContact O-NZ 3.07Å
199A98.2Very high97.7Very high31 Ų3132.9 Ų32.926%0.25619%0.186SC..THydrogen-bonded Turntrans-51.5-50.6-17500000112.8M269 A270 S271 K280A199-M269 PolarHBondContact N-O 3.31Å; A199-A270 HydrophobicContact CB-CB 4.27Å; A199-A270 WeakPolarHBondContact CB-O 3.33Å; A199-S271 PolarHBondContact N-OG 2.86Å; A199-K280 PolarHBondContact O-NZ 3.32Å
200D97.4Very high97.6Very high73 Ų7331.9 Ų31.939%0.3919%0.185SC..THydrogen-bonded Turntrans-914.8-177.369.1-2.1000113.9S198 T202 V225S198-D200 PolarHBondContact O-N 2.83Å; D200-T202 VanDerWaalsContact C-N 3.33Å; D200-T202 HydrophobicContact CB-CG2 4.35Å; D200-T202 PolarHBondContact O-N 3.48Å; D200-T202 WeakPolarHBondContact OD1-CB 3.43Å; D200-T202 WeakPolarHBondContact OD1-CG2 3.2Å; D200-T202 PolarHBondContact OD1-N 2.92Å; D200-T202 VanDerWaalsContact OD1-N 3.13Å; D200-T202 PolarHBondContact OD1-OG1 3.19Å; D200-T202 PolarHBondContact OD2-OG1 3.44Å; D200-V225 HydrophobicContact CB-CG1 4.49Å
201S97.8Very high97.5Very high46 Ų4631.7 Ų31.732%0.32218%0.181SC..SBendtrans59.935.8-178.6-51.10000114.3P195 S198P195-S201 WeakPolarHBondContact CB-O 3.26Å; P195-S201 VanDerWaalsContact O-CA 3.3Å; P195-S201 WeakPolarHBondContact O-CA 3.44Å; S198-S201 PolarHBondContact O-N 2.91Å; S198-S201 VanDerWaalsContact O-N 3.09Å; S198-S201 PolarHBondContact OG-N 2.79Å
202T97.2Very high97.3Very high81 Ų8139 Ų3950%0.49722%0.22SC..  trans-111.5-21.5179.466.50000114.8S198 D200S198-T202 PolarHBondContact OG-N 2.92Å; S198-T202 VanDerWaalsContact OG-N 3.13Å; D200-T202 VanDerWaalsContact C-N 3.33Å; D200-T202 HydrophobicContact CB-CG2 4.35Å; D200-T202 PolarHBondContact O-N 3.48Å; D200-T202 WeakPolarHBondContact OD1-CB 3.43Å; D200-T202 WeakPolarHBondContact OD1-CG2 3.2Å; D200-T202 PolarHBondContact OD1-N 2.92Å; D200-T202 VanDerWaalsContact OD1-N 3.13Å; D200-T202 PolarHBondContact OD1-OG1 3.19Å; D200-T202 PolarHBondContact OD2-OG1 3.44Å
203I97.3Very high97.1Very high10 Ų1041.1 Ų41.15%0.05124%0.237CC..  trans-123.8134-173.3-66.9178000110.6P195 S198 H207 V225 M269P195-I203 WeakPolarHBondContact CA-O 3.47Å; P195-I203 VanDerWaalsContact O-O 3.12Å; S198-I203 WeakPolarHBondContact CB-O 3.44Å; S198-I203 PolarHBondContact OG-N 3.45Å; S198-I203 PolarHBondContact OG-O 2.67Å; I203-H207 HydrophobicContact CG2-CB 4.01Å; I203-V225 HydrophobicContact CD1-CG2 4.18Å; I203-M269 HydrophobicContact CG2-CG 4.3Å; I203-M269 WeakPolarHBondContact O-CE 3.44Å
204S97.9Very high97Very high16 Ų1638 Ų3811%0.11222%0.224CC..  trans-119.5173.6170640000110.3Y192 H193 A206 H207Y192-S204 WeakPolarHBondContact O-CB 3.4Å; H193-S204 VanDerWaalsContact C-CB 3.46Å; H193-S204 WeakPolarHBondContact O-CB 3.37Å; H193-S204 PolarHBondContact O-OG 2.93Å; S204-A206 PolarHBondContact O-N 3.26Å; S204-H207 VanDerWaalsContact O-CB 3.25Å; S204-H207 WeakPolarHBondContact O-CB 3.39Å; S204-H207 PolarHBondContact O-N 3.41Å
205C98.1Very high96.9Very high21 Ų2137.6 Ų37.614%0.14222%0.222CC..Hα-helixtrans-54.5-41.9175.3-46.90000110.9Y192 H207 C208 H209Y192-C205 HydrophobicContact CD1-CB 4.31Å; Y192-C205 HydrophobicContact CD2-CB 3.52Å; Y192-C205 HydrophobicContact CE1-CB 4.39Å; Y192-C205 HydrophobicContact CE2-CB 3.61Å; Y192-C205 HydrophobicContact CG-CB 3.89Å; Y192-C205 WeakPolarHBondContact O-CB 3.34Å; Y192-C205 PolarHBondContact O-N 2.95Å; C205-H207 PolarHBondContact O-N 3.31Å; C205-H207 VanDerWaalsContact O-N 3.12Å; C205-C208 PolarHBondContact O-N 2.86Å; C205-H209 WeakPolarHBondContact O-CB 3.33Å; C205-H209 PolarHBondContact O-N 3.26Å
206A96.9Very high96.9Very high18 Ų1835.6 Ų35.615%0.14921%0.209CC..Hα-helixtrans-60.2-20.2177.900000114.7Y192 H193 S204 H209 A210Y192-A206 HydrophobicContact CD1-CB 3.83Å; Y192-A206 VanDerWaalsContact CE1-CA 3.5Å; Y192-A206 HydrophobicContact CE1-CB 3.54Å; Y192-A206 PolarHBondContact O-N 3.27Å; Y192-A206 VanDerWaalsContact O-N 3.17Å; H193-A206 VanDerWaalsContact CD2-CB 3.48Å; H193-A206 WeakPolarHBondContact CD2-CB 3.49Å; S204-A206 PolarHBondContact O-N 3.26Å; A206-H209 CarbonylContact O-C 3.46Å; A206-A210 WeakPolarHBondContact O-CA 3.28Å; A206-A210 PolarHBondContact O-N 3.07Å
207H95.6Very high96.7Very high92 Ų9234 Ų3443%0.42621%0.206SC..Hα-helixtrans-69.9-40.3179.3-163.493.9000112.2I203 S204 C205I203-H207 HydrophobicContact CG2-CB 4.01Å; S204-H207 VanDerWaalsContact O-CB 3.25Å; S204-H207 WeakPolarHBondContact O-CB 3.39Å; S204-H207 PolarHBondContact O-N 3.41Å; C205-H207 PolarHBondContact O-N 3.31Å; C205-H207 VanDerWaalsContact O-N 3.12Å
208C96.3Very high96.6Very high20 Ų2036.2 Ų36.214%0.13523%0.228CC..Hα-helixtrans-92.8-25.3176-59.80000111.9C205 V216 D217C205-C208 PolarHBondContact O-N 2.86Å; C208-V216 CarbonylContact O-C 3.54Å; C208-V216 VanDerWaalsContact O-C 3.3Å; C208-V216 WeakPolarHBondContact O-CA 3.36Å; C208-D217 PolarHBondContact O-N 2.96Å
209H97Very high96.5Very high26 Ų2641 Ų4112%0.1225%0.246CC..SBendtrans-117.966.9-175.7-61.7-67.8000110.9Y192 C205 A206 L211 G215 P235 V237Y192-H209 WeakPolarHBondContact OH-CB 3.18Å; Y192-H209 PolarHBondContact OH-O 3.09Å; C205-H209 WeakPolarHBondContact O-CB 3.33Å; C205-H209 PolarHBondContact O-N 3.26Å; A206-H209 CarbonylContact O-C 3.46Å; H209-L211 PolarHBondContact O-N 3.43Å; H209-G215 WeakPolarHBondContact CA-O 3.36Å; H209-G215 PolarHBondContact ND1-O 3.12Å; H209-P235 PolarHBondContact CE1-O 2.83Å; H209-P235 PolarHBondContact ND1-O 3.41Å; H209-P235 VanDerWaalsContact ND1-O 3.14Å; H209-V237 HydrophobicContact CB-CB 4.36Å; H209-V237 HydrophobicContact CB-CG1 3.54Å; H209-V237 HydrophobicContact CB-CG2 3.93Å; H209-V237 VanDerWaalsContact CG-CG1 3.43Å
210A96Very high96.4Very high19 Ų1944.5 Ų44.516%0.15726%0.256CS..  trans-73.6116.6-172.600000111.9A206 N212 A213 G215 V216A206-A210 WeakPolarHBondContact O-CA 3.28Å; A206-A210 PolarHBondContact O-N 3.07Å; A210-N212 PolarHBondContact O-N 2.75Å; A210-A213 HydrophobicContact CB-CB 4.13Å; A210-A213 CarbonylContact O-C 3.6Å; A210-A213 PolarHBondContact O-N 3.19Å; A210-G215 VanDerWaalsContact O-CA 3.26Å; A210-G215 WeakPolarHBondContact O-CA 3.28Å; A210-G215 PolarHBondContact O-N 3.16Å; A210-V216 WeakPolarHBondContact CB-O 3.48Å; A210-V216 PolarHBondContact N-O 3.47Å
211L96.1Very high96.3Very high21 Ų2142.1 Ų42.111%0.1124%0.244CC..THydrogen-bonded Turntrans-70.8-14.5-174.7-55.4-178.6000113.5Y192 H209 V237 F238 F311 L315 Y455Y192-L211 HydrophobicContact CE1-CD1 4.03Å; Y192-L211 HydrophobicContact CE1-CD2 4.25Å; Y192-L211 HydrophobicContact CE1-CG 4.08Å; H209-L211 PolarHBondContact O-N 3.43Å; L211-V237 HydrophobicContact CD2-CG2 3.77Å; L211-F238 HydrophobicContact CB-CZ 4.32Å; L211-F238 HydrophobicContact CD2-CE1 4.14Å; L211-F238 HydrophobicContact CD2-CZ 4.25Å; L211-F238 WeakPolarHBondContact O-CZ 3.28Å; L211-F311 HydrophobicContact CD1-CE1 4.31Å; L211-F311 HydrophobicContact CD1-CZ 3.85Å; L211-L315 HydrophobicContact CD1-CD2 4Å; L211-L315 HydrophobicContact CD2-CD1 3.91Å; L211-L315 HydrophobicContact CD2-CD2 3.81Å; L211-L315 HydrophobicContact CD2-CG 4.5Å; L211-Y455 HydrophobicContact CB-CE1 3.86Å; L211-Y455 WeakPolarHBondContact CD1-OH 3.33Å
212N93.2Very high96.2Very high153 Ų15340.7 Ų40.782%0.81823%0.234SC*.THydrogen-bonded Turntrans-92.60.5172.366.2-20.4000113.5A210A210-N212 PolarHBondContact O-N 2.75Å
213A93.7Very high96.2Very high44 Ų4439.5 Ų39.536%0.36422%0.224SC..THydrogen-bonded Turntrans-137.152.6-174.300000111.5A210 G215 V216A210-A213 HydrophobicContact CB-CB 4.13Å; A210-A213 CarbonylContact O-C 3.6Å; A210-A213 PolarHBondContact O-N 3.19Å; A213-G215 PolarHBondContact O-N 3.34Å; A213-G215 VanDerWaalsContact O-N 3.11Å; A213-V216 WeakPolarHBondContact O-CG2 3.26Å; A213-V216 PolarHBondContact O-N 3.5Å
214G95.7Very high96.2Very high6 Ų639.5 Ų39.56%0.06223%0.226CC..THydrogen-bonded Turntrans67.313.2176.700000114.7V216 T236 F238G214-V216 VanDerWaalsContact C-N 3.35Å; G214-T236 WeakPolarHBondContact O-CB 3.47Å; G214-T236 PolarHBondContact O-OG1 2.64Å; G214-F238 VanDerWaalsContact C-CE2 3.46Å; G214-F238 WeakPolarHBondContact O-CD2 3.32Å
215G97.5Very high96.1Very high0 Ų039.9 Ų39.90%023%0.228CC..THydrogen-bonded Turntrans78.218.9-179.500000113.6H209 A210 A213 T236 V237 F238H209-G215 WeakPolarHBondContact CA-O 3.36Å; H209-G215 PolarHBondContact ND1-O 3.12Å; A210-G215 VanDerWaalsContact O-CA 3.26Å; A210-G215 WeakPolarHBondContact O-CA 3.28Å; A210-G215 PolarHBondContact O-N 3.16Å; A213-G215 PolarHBondContact O-N 3.34Å; A213-G215 VanDerWaalsContact O-N 3.11Å; G215-T236 WeakPolarHBondContact O-CA 3.48Å; G215-V237 PolarHBondContact O-N 2.8Å; G215-F238 VanDerWaalsContact N-CE2 3.3Å
216V96.9Very high95.9Very high6 Ų642.7 Ų42.74%0.03626%0.26CS..SBendtrans-136.4172.4-178.9-60.90000110.7C208 A210 A213 G214 T408C208-V216 CarbonylContact O-C 3.54Å; C208-V216 VanDerWaalsContact O-C 3.3Å; C208-V216 WeakPolarHBondContact O-CA 3.36Å; A210-V216 WeakPolarHBondContact CB-O 3.48Å; A210-V216 PolarHBondContact N-O 3.47Å; A213-V216 WeakPolarHBondContact O-CG2 3.26Å; A213-V216 PolarHBondContact O-N 3.5Å; G214-V216 VanDerWaalsContact C-N 3.35Å; V216-T408 HydrophobicContact CG1-CG2 4.2Å; V216-T408 HydrophobicContact CG2-CG2 4.32Å
217D95.3Very high95.9Very high32 Ų3244.2 Ų44.217%0.17128%0.277CS..  trans-95.9-1.7176.664.56000114.1C208 R219 S222C208-D217 PolarHBondContact O-N 2.96Å; D217-R219 PolarHBondContact O-N 3.24Å; D217-R219 WeakPolarHBondContact OD1-CB 3.41Å; D217-R219 PolarHBondContact OD1-N 2.94Å; D217-S222 VanDerWaalsContact OD2-CA 3.29Å; D217-S222 WeakPolarHBondContact OD2-CA 3.26Å; D217-S222 VanDerWaalsContact OD2-CB 3.26Å; D217-S222 WeakPolarHBondContact OD2-CB 3.15Å; D217-S222 PolarHBondContact OD2-OG 2.85Å
218G95.3Very high95.9Very high46 Ų4641.4 Ų41.447%0.47427%0.27SS..SBendtrans68.415.1-179.600000114.4
219R96.3Very high95.9Very high101 Ų10144.7 Ų44.738%0.38129%0.289SS..SBendtrans-98.5157.4-180-64.5177.7171.5169.5-2.6111D217 T221 I223 N233 P410D217-R219 PolarHBondContact O-N 3.24Å; D217-R219 WeakPolarHBondContact OD1-CB 3.41Å; D217-R219 PolarHBondContact OD1-N 2.94Å; R219-T221 VanDerWaalsContact C-N 3.26Å; R219-T221 WeakPolarHBondContact CB-O 3.27Å; R219-T221 PolarHBondContact O-N 3.05Å; R219-I223 VanDerWaalsContact NH1-CB 3.27Å; R219-I223 VanDerWaalsContact NH1-CD1 3.26Å; R219-N233 PolarHBondContact O-ND2 3.45Å; R219-P410 WeakPolarHBondContact O-CD 3.4Å
220K96.3Very high95.6Very high104 Ų10444.1 Ų44.145%0.45229%0.29SS..SBendtrans-53.1-49.3167.2179173.9167.5175.70110.6N233 P410 R414 G415 D416K220-N233 WeakPolarHBondContact O-CA 3.43Å; K220-N233 VanDerWaalsContact O-CB 3.24Å; K220-N233 WeakPolarHBondContact O-CB 3.43Å; K220-N233 PolarHBondContact O-ND2 3.42Å; K220-P410 HydrophobicContact CB-CG 4.44Å; K220-R414 WeakPolarHBondContact CE-O 3.28Å; K220-R414 WeakPolarHBondContact CG-O 3.45Å; K220-G415 WeakPolarHBondContact CG-O 3.29Å; K220-D416 WeakPolarHBondContact CE-OD1 2.97Å; K220-D416 IonicContact NZ-OD1 3.79Å; K220-D416 PolarHBondContact NZ-OD1 3.49Å; K220-D416 IonicContact NZ-OD2 2.92Å
221T96.3Very high95.5Very high23 Ų2347.5 Ų47.514%0.14131%0.311CS..SBendtrans-145.7145.7176.352.60000109.2R219 V229 G230R219-T221 VanDerWaalsContact C-N 3.26Å; R219-T221 WeakPolarHBondContact CB-O 3.27Å; R219-T221 PolarHBondContact O-N 3.05Å; T221-V229 WeakPolarHBondContact OG1-CG1 3.4Å; T221-G230 WeakPolarHBondContact CB-O 3.44Å; T221-G230 WeakPolarHBondContact CG2-O 3.34Å; T221-G230 PolarHBondContact OG1-O 2.9Å
222S95.9Very high95.4Very high16 Ų1648.6 Ų48.611%0.11232%0.317CS..  trans-70.2155.1-176.3-60.50000113.1D217 G230 A234D217-S222 VanDerWaalsContact OD2-CA 3.29Å; D217-S222 WeakPolarHBondContact OD2-CA 3.26Å; D217-S222 VanDerWaalsContact OD2-CB 3.26Å; D217-S222 WeakPolarHBondContact OD2-CB 3.15Å; D217-S222 PolarHBondContact OD2-OG 2.85Å; S222-G230 PolarHBondContact O-N 3.37Å; S222-A234 VanDerWaalsContact OG-CB 3.31Å; S222-A234 WeakPolarHBondContact OG-CB 3.49Å
223I96.5Very high95.6Very high56 Ų5641.9 Ų41.929%0.28728%0.281SS..BIsolated β-bridgetrans-109119.9176.7-54.7-177.1000107.8R219 A228 V229R219-I223 VanDerWaalsContact NH1-CB 3.27Å; R219-I223 VanDerWaalsContact NH1-CD1 3.26Å; I223-A228 CarbonylContact C-O 3.12Å; I223-A228 VanDerWaalsContact CA-O 3.28Å; I223-A228 WeakPolarHBondContact CA-O 3.29Å; I223-V229 HydrophobicContact CG1-CG2 4.39Å
224G97Very high95.6Very high9 Ų940.3 Ų40.39%0.09327%0.268CS..  trans-94.2-161.6175.300000113.5G227 A228 I267 E268G224-G227 PolarHBondContact O-N 3.37Å; G224-A228 PolarHBondContact N-O 2.96Å; G224-I267 WeakPolarHBondContact CA-O 3.21Å; G224-E268 CarbonylContact C-O 3.59Å; G224-E268 WeakPolarHBondContact CA-O 3.4Å
225V96.6Very high95.6Very high25 Ų2541.9 Ų41.915%0.15228%0.277CS..G310 helixtrans-55.6139-176.81670000110.9D200 I203 G227 A228 E268 A270D200-V225 HydrophobicContact CB-CG1 4.49Å; I203-V225 HydrophobicContact CD1-CG2 4.18Å; V225-G227 PolarHBondContact O-N 3.34Å; V225-A228 WeakPolarHBondContact O-CB 3.44Å; V225-A228 PolarHBondContact O-N 3.43Å; V225-E268 PolarHBondContact N-O 3.27Å; V225-A270 HydrophobicContact CB-CB 4.11Å; V225-A270 HydrophobicContact CG1-CB 4.33Å; V225-A270 HydrophobicContact CG2-CB 4.38Å
226G94.7Very high95.6Very high80 Ų8043.6 Ų43.683%0.82529%0.287SS*.G310 helixtrans66.713.2179.300000115.2
227G95.1Very high95.7Very high49 Ų4943.6 Ų43.651%0.50529%0.287SS..G310 helixtrans82.412.8-17800000114G224 V225G224-G227 PolarHBondContact O-N 3.37Å; V225-G227 PolarHBondContact O-N 3.34Å
228A96Very high95.8Very high34 Ų3442.7 Ų42.728%0.28128%0.282SS..  trans-63.3135.5176.700000110.6I223 G224 V225 I267I223-A228 CarbonylContact C-O 3.12Å; I223-A228 VanDerWaalsContact CA-O 3.28Å; I223-A228 WeakPolarHBondContact CA-O 3.29Å; G224-A228 PolarHBondContact N-O 2.96Å; V225-A228 WeakPolarHBondContact O-CB 3.44Å; V225-A228 PolarHBondContact O-N 3.43Å; A228-I267 HydrophobicContact CB-CG2 4.16Å
229V95.7Very high96Very high88 Ų8840.6 Ų40.653%0.53326%0.26SS..BIsolated β-bridgetrans-105.6124.8-177.3-175.80000109.4T221 I223T221-V229 WeakPolarHBondContact OG1-CG1 3.4Å; I223-V229 HydrophobicContact CG1-CG2 4.39Å
230G92.7Very high96.1Very high14 Ų1436.1 Ų36.114%0.14424%0.244CC..  trans-66.8158.9177.100000113T221 S222 I232T221-G230 WeakPolarHBondContact CB-O 3.44Å; T221-G230 WeakPolarHBondContact CG2-O 3.34Å; T221-G230 PolarHBondContact OG1-O 2.9Å; S222-G230 PolarHBondContact O-N 3.37Å; G230-I232 VanDerWaalsContact C-N 3.32Å; G230-I232 PolarHBondContact O-N 3.37Å
231P92.7Very high96.2Very high90 Ų9033 Ų3358%0.58423%0.234SC*.SBendtrans-84.1-5.8-178.434.6-36.5000113.8
232I95.2Very high96.3Very high45 Ų4533.8 Ų33.823%0.23124%0.235CC..SBendtrans-145.9149.4-168-156.8172.5000110.4G230 W248 A380 H413G230-I232 VanDerWaalsContact C-N 3.32Å; G230-I232 PolarHBondContact O-N 3.37Å; I232-W248 HydrophobicContact CD1-CB 3.79Å; I232-W248 VanDerWaalsContact CD1-CD1 3.43Å; I232-W248 HydrophobicContact CD1-CG 3.79Å; I232-W248 HydrophobicContact CG1-CG 4.44Å; I232-A380 HydrophobicContact CB-CB 4.32Å; I232-A380 HydrophobicContact CD1-CB 4.1Å; I232-A380 HydrophobicContact CG1-CB 4.37Å; I232-H413 HydrophobicContact CD1-CB 4.15Å; I232-H413 HydrophobicContact CG1-CB 4.12Å; I232-H413 WeakPolarHBondContact CG1-O 3.42Å
233N96Very high96.4Very high12 Ų1234.2 Ų34.26%0.06424%0.236CC..PPolyproline II helixtrans-66.1137.1176.5177.3-103.6000110.4R219 K220 P235 W248 H413R219-N233 PolarHBondContact O-ND2 3.45Å; K220-N233 WeakPolarHBondContact O-CA 3.43Å; K220-N233 VanDerWaalsContact O-CB 3.24Å; K220-N233 WeakPolarHBondContact O-CB 3.43Å; K220-N233 PolarHBondContact O-ND2 3.42Å; N233-P235 WeakPolarHBondContact O-CD 2.96Å; N233-W248 PolarHBondContact O-NE1 2.98Å; N233-H413 WeakPolarHBondContact CB-O 3.19Å; N233-H413 PolarHBondContact N-O 2.87Å
234A94.2Very high96.4Very high11 Ų1135.4 Ų35.49%0.09125%0.246CC..PPolyproline II helixtrans-71.9119.6174.500000110.2S222S222-A234 VanDerWaalsContact OG-CB 3.31Å; S222-A234 WeakPolarHBondContact OG-CB 3.49Å
235P95.7Very high96.5Very high39 Ų3936.9 Ų36.925%0.25325%0.25SS..PPolyproline II helixtrans-60.7153.5172.2-16.728.7000111.2H209 N233 W248H209-P235 PolarHBondContact CE1-O 2.83Å; H209-P235 PolarHBondContact ND1-O 3.41Å; H209-P235 VanDerWaalsContact ND1-O 3.14Å; N233-P235 WeakPolarHBondContact O-CD 2.96Å; P235-W248 HydrophobicContact CG-CG 4.42Å
236T97.9Very high96.5Very high35 Ų3536.2 Ų36.222%0.21525%0.246CC..PPolyproline II helixtrans-62.1140.1169.9-177.40000111.5G214 G215 F238 T408G214-T236 WeakPolarHBondContact O-CB 3.47Å; G214-T236 PolarHBondContact O-OG1 2.64Å; G215-T236 WeakPolarHBondContact O-CA 3.48Å; T236-F238 VanDerWaalsContact C-N 3.31Å; T236-F238 PolarHBondContact OG1-N 3.19Å; T236-T408 HydrophobicContact CG2-CG2 4.5Å
237V98.1Very high96.7Very high6 Ų633.6 Ų33.64%0.03621%0.211CC..  trans-76.1-19.1168-72.70000112.6H209 L211 G215 N239 S240 L315H209-V237 HydrophobicContact CB-CB 4.36Å; H209-V237 HydrophobicContact CB-CG1 3.54Å; H209-V237 HydrophobicContact CB-CG2 3.93Å; H209-V237 VanDerWaalsContact CG-CG1 3.43Å; L211-V237 HydrophobicContact CD2-CG2 3.77Å; G215-V237 PolarHBondContact O-N 2.8Å; V237-N239 PolarHBondContact O-N 3.29Å; V237-S240 VanDerWaalsContact O-CB 3.31Å; V237-S240 WeakPolarHBondContact O-CB 3.44Å; V237-S240 PolarHBondContact O-N 2.66Å; V237-S240 PolarHBondContact O-OG 3.26Å; V237-L315 HydrophobicContact CB-CD1 3.94Å; V237-L315 HydrophobicContact CG2-CD1 3.84Å
238F98.4Very high96.8Very high13 Ų1332.5 Ų32.56%0.05719%0.192CC..THydrogen-bonded Turntrans-66.8131-179.4-73.2-47.3000111L211 G214 G215 T236 S240 L315 T317 Y455L211-F238 HydrophobicContact CB-CZ 4.32Å; L211-F238 HydrophobicContact CD2-CE1 4.14Å; L211-F238 HydrophobicContact CD2-CZ 4.25Å; L211-F238 WeakPolarHBondContact O-CZ 3.28Å; G214-F238 VanDerWaalsContact C-CE2 3.46Å; G214-F238 WeakPolarHBondContact O-CD2 3.32Å; G215-F238 VanDerWaalsContact N-CE2 3.3Å; T236-F238 VanDerWaalsContact C-N 3.31Å; T236-F238 PolarHBondContact OG1-N 3.19Å; F238-S240 PolarHBondContact O-N 2.78Å; F238-L315 CarbonylContact C-O 3.53Å; F238-L315 WeakPolarHBondContact CA-O 3.36Å; F238-L315 HydrophobicContact CD1-CB 4Å; F238-L315 HydrophobicContact CE1-CB 4.42Å; F238-L315 HydrophobicContact CE1-CD2 4.31Å; F238-T317 HydrophobicContact CB-CG2 4.09Å; F238-T317 HydrophobicContact CD1-CG2 3.76Å; F238-T317 HydrophobicContact CD2-CG2 4.31Å; F238-T317 HydrophobicContact CE1-CG2 4.27Å; F238-T317 HydrophobicContact CG-CG2 3.81Å; F238-Y455 HydrophobicContact CD1-CD2 4.38Å; F238-Y455 HydrophobicContact CE1-CD1 4.07Å; F238-Y455 AromaticContact CE1-CD2 3.45Å; F238-Y455 HydrophobicContact CE1-CD2 3.45Å; F238-Y455 VanDerWaalsContact CE1-CD2 3.45Å; F238-Y455 HydrophobicContact CE1-CE1 4.39Å; F238-Y455 AromaticContact CE1-CE2 3.83Å; F238-Y455 HydrophobicContact CE1-CE2 3.83Å; F238-Y455 AromaticContact CE1-CG 3.59Å; F238-Y455 HydrophobicContact CE1-CG 3.59Å; F238-Y455 AromaticContact CZ-CD1 3.73Å; F238-Y455 HydrophobicContact CZ-CD1 3.73Å; F238-Y455 AromaticContact CZ-CD2 3.97Å; F238-Y455 HydrophobicContact CZ-CD2 3.97Å; F238-Y455 HydrophobicContact CZ-CE1 4.2Å; F238-Y455 HydrophobicContact CZ-CE2 4.43Å; F238-Y455 AromaticContact CZ-CG 3.61Å; F238-Y455 HydrophobicContact CZ-CG 3.61Å
239N98.6Very high96.9Very high3 Ų332 Ų322%0.01619%0.185CC..THydrogen-bonded Turntrans62.916.2-179.3-46.7-65.4000113.9I174 V237 V241 F242 L315 I316 T317 I357I174-N239 WeakPolarHBondContact CD1-OD1 3.26Å; V237-N239 PolarHBondContact O-N 3.29Å; N239-V241 PolarHBondContact O-N 2.82Å; N239-F242 HydrophobicContact CB-CD2 3.98Å; N239-F242 HydrophobicContact CB-CE2 4.4Å; N239-F242 WeakPolarHBondContact O-CD2 3.28Å; N239-F242 PolarHBondContact O-N 2.92Å; N239-F242 VanDerWaalsContact O-N 3.13Å; N239-L315 PolarHBondContact N-O 2.74Å; N239-I316 WeakPolarHBondContact OD1-CA 3.14Å; N239-T317 PolarHBondContact ND2-OG1 3.5Å; N239-T317 PolarHBondContact OD1-N 3.27Å; N239-T317 PolarHBondContact OD1-OG1 3.02Å; N239-I357 HydrophobicContact CB-CG2 3.55Å
240S98.3Very high97Very high7 Ų727.9 Ų27.95%0.04916%0.16CC..G310 helixtrans-62.7-26.4-178.562.80000113.5V237 F238 F242 N243 Q246 L255V237-S240 VanDerWaalsContact O-CB 3.31Å; V237-S240 WeakPolarHBondContact O-CB 3.44Å; V237-S240 PolarHBondContact O-N 2.66Å; V237-S240 PolarHBondContact O-OG 3.26Å; F238-S240 PolarHBondContact O-N 2.78Å; S240-F242 PolarHBondContact O-N 3.12Å; S240-F242 VanDerWaalsContact O-N 3.12Å; S240-N243 WeakPolarHBondContact CA-ND2 3.24Å; S240-N243 VanDerWaalsContact O-CB 3.31Å; S240-N243 WeakPolarHBondContact O-CB 3.35Å; S240-N243 PolarHBondContact O-N 3.11Å; S240-N243 PolarHBondContact O-ND2 2.7Å; S240-Q246 PolarHBondContact O-NE2 2.93Å; S240-Q246 PolarHBondContact O-OE1 2.98Å; S240-L255 VanDerWaalsContact OG-CD2 3.3Å; S240-L255 WeakPolarHBondContact OG-CD2 3.34Å
241V98.4Very high97.2Very high39 Ų3932.8 Ų32.824%0.23617%0.174CC..G310 helixtrans-55.7-24.1173.467.40000113.6L178 N239 L255 K313 I316L178-V241 HydrophobicContact CD1-CB 4.35Å; L178-V241 HydrophobicContact CD1-CG1 3.54Å; L178-V241 HydrophobicContact CD1-CG2 3.92Å; N239-V241 PolarHBondContact O-N 2.82Å; V241-L255 HydrophobicContact CB-CD1 3.99Å; V241-L255 HydrophobicContact CG2-CD1 4.19Å; V241-K313 HydrophobicContact CG2-CB 4.32Å; V241-K313 HydrophobicContact CG2-CG 3.79Å; V241-I316 HydrophobicContact CG1-CG2 3.82Å
242F98.1Very high97.5Very high38 Ų3828.8 Ų28.817%0.16715%0.148CC..G310 helixtrans-92.9-1.2178.7-55.9-67.6000114I174 P175 L178 N239 S240 I316 I356 I357I174-F242 HydrophobicContact CG2-CE2 4.25Å; P175-F242 HydrophobicContact CG-CE1 3.89Å; P175-F242 HydrophobicContact CG-CZ 3.5Å; P175-F242 VanDerWaalsContact CG-CZ 3.5Å; L178-F242 HydrophobicContact CD1-CE1 4.14Å; L178-F242 HydrophobicContact CD1-CZ 3.85Å; L178-F242 HydrophobicContact CD2-CE1 4.18Å; L178-F242 HydrophobicContact CD2-CZ 4.25Å; L178-F242 HydrophobicContact CG-CZ 4.33Å; N239-F242 HydrophobicContact CB-CD2 3.98Å; N239-F242 HydrophobicContact CB-CE2 4.4Å; N239-F242 WeakPolarHBondContact O-CD2 3.28Å; N239-F242 PolarHBondContact O-N 2.92Å; N239-F242 VanDerWaalsContact O-N 3.13Å; S240-F242 PolarHBondContact O-N 3.12Å; S240-F242 VanDerWaalsContact O-N 3.12Å; F242-I316 HydrophobicContact CE2-CB 4.39Å; F242-I316 HydrophobicContact CE2-CG2 3.58Å; F242-I316 HydrophobicContact CZ-CG2 3.91Å; F242-I356 HydrophobicContact CD1-CD1 3.89Å; F242-I356 HydrophobicContact CD1-CG2 4.2Å; F242-I356 HydrophobicContact CD2-CG2 4.06Å; F242-I356 HydrophobicContact CE1-CD1 4.06Å; F242-I356 HydrophobicContact CE1-CG2 4.29Å; F242-I356 HydrophobicContact CE2-CG2 4.14Å; F242-I356 HydrophobicContact CG-CB 4.48Å; F242-I356 HydrophobicContact CG-CG2 4.09Å; F242-I356 HydrophobicContact CZ-CG2 4.26Å; F242-I357 HydrophobicContact CB-CD1 4.28Å; F242-I357 HydrophobicContact CB-CG1 4.4Å; F242-I357 HydrophobicContact CB-CG2 3.73Å; F242-I357 HydrophobicContact CD2-CG2 3.55Å; F242-I357 HydrophobicContact CG-CG2 3.99Å
243N98.3Very high97.6Very high25 Ų2529.6 Ų29.613%0.13416%0.162CC..  trans-68.3144.8172.7-68.1-48.7000110.5S240 E245 Q246 I357 G360 K398S240-N243 WeakPolarHBondContact CA-ND2 3.24Å; S240-N243 VanDerWaalsContact O-CB 3.31Å; S240-N243 WeakPolarHBondContact O-CB 3.35Å; S240-N243 PolarHBondContact O-N 3.11Å; S240-N243 PolarHBondContact O-ND2 2.7Å; N243-E245 VanDerWaalsContact C-N 3.33Å; N243-E245 WeakPolarHBondContact CB-O 3.28Å; N243-Q246 PolarHBondContact ND2-OE1 3.29Å; N243-I357 WeakPolarHBondContact OD1-CD1 3.32Å; N243-G360 WeakPolarHBondContact CA-O 3.45Å; N243-G360 WeakPolarHBondContact OD1-CA 3.5Å; N243-K398 PolarHBondContact ND2-NZ 3.01Å; N243-K398 PolarHBondContact OD1-NZ 3.07Å
244V96.8Very high97.7Very high81 Ų8132 Ų3249%0.49118%0.177SC..SBendtrans-68.8-34.8171.670.10000112G360 F363V244-G360 WeakPolarHBondContact CG1-O 3.33Å; V244-G360 PolarHBondContact N-O 3.36Å; V244-F363 HydrophobicContact CG1-CE2 4.43Å
245E98.1Very high97.9Very high41 Ų4132.3 Ų32.319%0.19218%0.177CC..SBendtrans-149.8155.3175.9-69.5174.9140.700108.1N243 F363 R384 K398N243-E245 VanDerWaalsContact C-N 3.33Å; N243-E245 WeakPolarHBondContact CB-O 3.28Å; E245-F363 HydrophobicContact CB-CZ 4.29Å; E245-F363 WeakPolarHBondContact OE2-CE2 3.43Å; E245-F363 WeakPolarHBondContact OE2-CZ 3.33Å; E245-R384 VanDerWaalsContact CD-NH2 3.32Å; E245-R384 IonicContact OE1-CZ 3.68Å; E245-R384 IonicContact OE1-NH1 3.79Å; E245-R384 PolarHBondContact OE1-NH1 3.01Å; E245-R384 IonicContact OE1-NH2 3.71Å; E245-R384 PolarHBondContact OE1-NH2 3.28Å; E245-R384 IonicContact OE2-CZ 3.75Å; E245-R384 IonicContact OE2-NE 3.37Å; E245-R384 IonicContact OE2-NH1 3.88Å; E245-R384 PolarHBondContact OE2-NH1 3.27Å; E245-R384 IonicContact OE2-NH2 2.71Å; E245-R384 PolarHBondContact OE2-NH2 3.22Å; E245-K398 WeakPolarHBondContact O-CD 3.48Å; E245-K398 WeakPolarHBondContact O-CE 3.46Å
246Q98.3Very high98Very high11 Ų1133.1 Ų33.15%0.05118%0.177CC..BIsolated β-bridgetrans-96.7163.7-176.4-50.8-56.3-25.800112.7S240 N243 G250 R251 A252 T254 L255 Q258S240-Q246 PolarHBondContact O-NE2 2.93Å; S240-Q246 PolarHBondContact O-OE1 2.98Å; N243-Q246 PolarHBondContact ND2-OE1 3.29Å; Q246-G250 CarbonylContact O-C 3.5Å; Q246-G250 WeakPolarHBondContact O-CA 3.33Å; Q246-G250 PolarHBondContact O-N 3.11Å; Q246-R251 PolarHBondContact O-N 3.31Å; Q246-A252 HydrophobicContact CB-CB 4.04Å; Q246-A252 PolarHBondContact N-O 3.29Å; Q246-T254 WeakPolarHBondContact CG-O 3.33Å; Q246-L255 HydrophobicContact CG-CD2 4.26Å; Q246-Q258 HydrophobicContact CB-CB 3.64Å; Q246-Q258 HydrophobicContact CB-CG 3.71Å; Q246-Q258 HydrophobicContact CG-CB 3.82Å; Q246-Q258 HydrophobicContact CG-CG 4.24Å
247F97.3Very high98.1Very high24 Ų2435.5 Ų35.511%0.10519%0.189CC..SBendtrans63.8170.8-168.1-53.8-74.3000114.7D249 R251 A252 Q258 P262 K398F247-D249 WeakPolarHBondContact CB-OD1 3.44Å; F247-R251 HydrophobicContact CB-CG 4.45Å; F247-R251 VanDerWaalsContact CB-NH1 3.26Å; F247-R251 HydrophobicContact CD2-CG 3.58Å; F247-R251 VanDerWaalsContact CD2-CZ 3.43Å; F247-R251 HydrophobicContact CE2-CG 4.15Å; F247-R251 HydrophobicContact CG-CG 4.31Å; F247-R251 VanDerWaalsContact CG-NH1 3.27Å; F247-R251 VanDerWaalsContact CZ-NH2 3.34Å; F247-A252 HydrophobicContact CD2-CB 3.7Å; F247-A252 HydrophobicContact CE2-CB 3.64Å; F247-Q258 HydrophobicContact CD1-CG 4.5Å; F247-Q258 HydrophobicContact CD2-CG 4.27Å; F247-Q258 HydrophobicContact CE1-CG 3.99Å; F247-Q258 HydrophobicContact CE2-CB 4.08Å; F247-Q258 HydrophobicContact CE2-CG 3.75Å; F247-Q258 HydrophobicContact CZ-CB 4.29Å; F247-Q258 HydrophobicContact CZ-CG 3.6Å; F247-P262 HydrophobicContact CZ-CG 4.44Å; F247-K398 WeakPolarHBondContact O-CE 3.36Å
248W97.8Very high98.1Very high26 Ų2636.2 Ų36.210%0.09819%0.192CC..SBendtrans-65.3-35.6178.9-71.7107.3000113.3I232 N233 P235 Q397 K398 P400 H413I232-W248 HydrophobicContact CD1-CB 3.79Å; I232-W248 VanDerWaalsContact CD1-CD1 3.43Å; I232-W248 HydrophobicContact CD1-CG 3.79Å; I232-W248 HydrophobicContact CG1-CG 4.44Å; N233-W248 PolarHBondContact O-NE1 2.98Å; P235-W248 HydrophobicContact CG-CG 4.42Å; W248-Q397 HydrophobicContact CE3-CB 4.28Å; W248-Q397 CarbonylContact O-C 3.14Å; W248-Q397 PolarHBondContact O-OE1 3.14Å; W248-K398 WeakPolarHBondContact O-CB 3.35Å; W248-K398 PolarHBondContact O-N 2.57Å; W248-P400 HydrophobicContact CH2-CB 3.95Å; W248-P400 HydrophobicContact CH2-CG 4.24Å; W248-P400 HydrophobicContact CZ3-CB 3.97Å; W248-P400 HydrophobicContact CZ3-CG 4.1Å; W248-H413 HydrophobicContact CB-CB 4.49Å; W248-H413 HydrophobicContact CD2-CB 3.54Å; W248-H413 HydrophobicContact CE3-CB 3.81Å; W248-H413 HydrophobicContact CG-CB 3.87Å; W248-H413 HydrophobicContact CH2-CB 4.41Å; W248-H413 HydrophobicContact CZ2-CB 4.18Å; W248-H413 HydrophobicContact CZ3-CB 4.23Å
249D97.6Very high98.1Very high24 Ų2435.9 Ų35.913%0.12819%0.192CC..SBendtrans-91.2-6.4-17958.1-2.9000113.8F247 R251 R384 V387F247-D249 WeakPolarHBondContact CB-OD1 3.44Å; D249-R251 VanDerWaalsContact C-N 3.34Å; D249-R251 WeakPolarHBondContact OD1-CG 3.23Å; D249-R251 PolarHBondContact OD1-N 2.93Å; D249-R251 IonicContact OD1-NH1 3.98Å; D249-R251 PolarHBondContact OD1-NH1 3.47Å; D249-R251 IonicContact OD2-NH1 3.68Å; D249-R251 PolarHBondContact OD2-NH1 3.18Å; D249-R384 WeakPolarHBondContact O-CD 3.31Å; D249-R384 PolarHBondContact O-NH1 2.95Å; D249-V387 HydrophobicContact CB-CG2 4.22Å; D249-V387 WeakPolarHBondContact O-CG2 3.3Å
250G97.9Very high98Very high1 Ų136.6 Ų36.61%0.0120%0.2CC..  trans73.821.7-179.300000113.9Q246 A252 R384Q246-G250 CarbonylContact O-C 3.5Å; Q246-G250 WeakPolarHBondContact O-CA 3.33Å; Q246-G250 PolarHBondContact O-N 3.11Å; G250-A252 PolarHBondContact O-N 3.1Å; G250-R384 PolarHBondContact O-NH1 3.12Å
251R97.5Very high97.9Very high118 Ų11837.9 Ų37.945%0.44521%0.214SC..  trans-69.5-16.9-173.571.2-179.7177.5-84.83.3114.9Q246 F247 D249 V387Q246-R251 PolarHBondContact O-N 3.31Å; F247-R251 HydrophobicContact CB-CG 4.45Å; F247-R251 VanDerWaalsContact CB-NH1 3.26Å; F247-R251 HydrophobicContact CD2-CG 3.58Å; F247-R251 VanDerWaalsContact CD2-CZ 3.43Å; F247-R251 HydrophobicContact CE2-CG 4.15Å; F247-R251 HydrophobicContact CG-CG 4.31Å; F247-R251 VanDerWaalsContact CG-NH1 3.27Å; F247-R251 VanDerWaalsContact CZ-NH2 3.34Å; D249-R251 VanDerWaalsContact C-N 3.34Å; D249-R251 WeakPolarHBondContact OD1-CG 3.23Å; D249-R251 PolarHBondContact OD1-N 2.93Å; D249-R251 IonicContact OD1-NH1 3.98Å; D249-R251 PolarHBondContact OD1-NH1 3.47Å; D249-R251 IonicContact OD2-NH1 3.68Å; D249-R251 PolarHBondContact OD2-NH1 3.18Å; R251-V387 HydrophobicContact CB-CG2 3.67Å
252A98.3Very high97.9Very high5 Ų536.7 Ų36.74%0.04121%0.207CC..BIsolated β-bridgetrans-112.6125.6177.800000109.4Q246 F247 G250 D257 Q258Q246-A252 HydrophobicContact CB-CB 4.04Å; Q246-A252 PolarHBondContact N-O 3.29Å; F247-A252 HydrophobicContact CD2-CB 3.7Å; F247-A252 HydrophobicContact CE2-CB 3.64Å; G250-A252 PolarHBondContact O-N 3.1Å; A252-D257 HydrophobicContact CB-CB 3.77Å; A252-Q258 HydrophobicContact CB-CB 4.04Å
253A97.7Very high97.9Very high63 Ų6335 Ų3552%0.52120%0.2SC..SBendtrans-75.5-31.3-176.500000112.1D257A253-D257 PolarHBondContact N-OD2 2.81Å
254T98.5Very high97.9Very high63 Ų6336.9 Ų36.939%0.38721%0.21SC..SBendtrans-128.6168.3-175.967.10000112.3Q246 Q256 D257 Q258Q246-T254 WeakPolarHBondContact CG-O 3.33Å; T254-Q256 PolarHBondContact O-N 3.05Å; T254-Q256 PolarHBondContact OG1-N 2.81Å; T254-D257 PolarHBondContact N-OD2 3.42Å; T254-D257 PolarHBondContact O-N 3.24Å; T254-D257 PolarHBondContact OG1-N 3.32Å; T254-D257 PolarHBondContact OG1-OD2 3Å; T254-Q258 WeakPolarHBondContact O-CB 3.27Å; T254-Q258 PolarHBondContact O-N 3.39Å
255L98.6Very high97.9Very high17 Ų1735.3 Ų35.39%0.08920%0.198CC..Hα-helixtrans-60.6-36.1169.3-67.7175.5000111.5S240 V241 Q246 Q258 A259 A309 E312 K313S240-L255 VanDerWaalsContact OG-CD2 3.3Å; S240-L255 WeakPolarHBondContact OG-CD2 3.34Å; V241-L255 HydrophobicContact CB-CD1 3.99Å; V241-L255 HydrophobicContact CG2-CD1 4.19Å; Q246-L255 HydrophobicContact CG-CD2 4.26Å; L255-Q258 WeakPolarHBondContact O-CB 3.43Å; L255-Q258 PolarHBondContact O-N 3.43Å; L255-A259 WeakPolarHBondContact O-CB 3.49Å; L255-A259 PolarHBondContact O-N 3.21Å; L255-A309 HydrophobicContact CB-CB 3.79Å; L255-E312 HydrophobicContact CD1-CB 3.95Å; L255-E312 WeakPolarHBondContact CD2-OE2 3.35Å; L255-K313 HydrophobicContact CD1-CG 4.31Å
256Q98.6Very high97.9Very high55 Ų5538.2 Ų38.226%0.25722%0.221SC..Hα-helixtrans-64.7-46.8176.9-172.1178.53.800111.7T254 Q258 A259 G260 E302 T305 A309T254-Q256 PolarHBondContact O-N 3.05Å; T254-Q256 PolarHBondContact OG1-N 2.81Å; Q256-Q258 PolarHBondContact O-N 3.21Å; Q256-A259 PolarHBondContact O-N 2.88Å; Q256-G260 PolarHBondContact O-N 3.46Å; Q256-G260 VanDerWaalsContact O-N 3.1Å; Q256-E302 PolarHBondContact NE2-O 3.27Å; Q256-T305 VanDerWaalsContact CG-OG1 3.28Å; Q256-T305 WeakPolarHBondContact CG-OG1 3.31Å; Q256-T305 PolarHBondContact NE2-OG1 3.19Å; Q256-A309 HydrophobicContact CB-CB 3.99Å
257D98.3Very high97.7Very high85 Ų8541 Ų4146%0.45524%0.235SC..Hα-helixtrans-60.2-38.3174.5-60.4-45.9000111.3A252 A253 T254 G260A252-D257 HydrophobicContact CB-CB 3.77Å; A253-D257 PolarHBondContact N-OD2 2.81Å; T254-D257 PolarHBondContact N-OD2 3.42Å; T254-D257 PolarHBondContact O-N 3.24Å; T254-D257 PolarHBondContact OG1-N 3.32Å; T254-D257 PolarHBondContact OG1-OD2 3Å; D257-G260 PolarHBondContact O-N 3.35Å
258Q98.1Very high97.7Very high21 Ų2142.6 Ų42.610%0.09824%0.243CC..Hα-helixtrans-63.7-49.9177-176.1-72.5-42.700110.8Q246 F247 A252 T254 L255 Q256 G260 G261 P262Q246-Q258 HydrophobicContact CB-CB 3.64Å; Q246-Q258 HydrophobicContact CB-CG 3.71Å; Q246-Q258 HydrophobicContact CG-CB 3.82Å; Q246-Q258 HydrophobicContact CG-CG 4.24Å; F247-Q258 HydrophobicContact CD1-CG 4.5Å; F247-Q258 HydrophobicContact CD2-CG 4.27Å; F247-Q258 HydrophobicContact CE1-CG 3.99Å; F247-Q258 HydrophobicContact CE2-CB 4.08Å; F247-Q258 HydrophobicContact CE2-CG 3.75Å; F247-Q258 HydrophobicContact CZ-CB 4.29Å; F247-Q258 HydrophobicContact CZ-CG 3.6Å; A252-Q258 HydrophobicContact CB-CB 4.04Å; T254-Q258 WeakPolarHBondContact O-CB 3.27Å; T254-Q258 PolarHBondContact O-N 3.39Å; L255-Q258 WeakPolarHBondContact O-CB 3.43Å; L255-Q258 PolarHBondContact O-N 3.43Å; Q256-Q258 PolarHBondContact O-N 3.21Å; Q258-G260 PolarHBondContact O-N 3.12Å; Q258-G261 PolarHBondContact O-N 3.02Å; Q258-P262 WeakPolarHBondContact O-CD 3.49Å
259A98.3Very high97.8Very high7 Ų741.7 Ų41.76%0.05824%0.24CC..Hα-helixtrans-62.7-24.4-179.600000112.4L255 Q256 P263 T305 I308L255-A259 WeakPolarHBondContact O-CB 3.49Å; L255-A259 PolarHBondContact O-N 3.21Å; Q256-A259 PolarHBondContact O-N 2.88Å; A259-P263 WeakPolarHBondContact O-CD 3.32Å; A259-P263 WeakPolarHBondContact O-CG 3.2Å; A259-T305 HydrophobicContact CB-CG2 4.11Å; A259-I308 HydrophobicContact CB-CB 4.28Å; A259-I308 HydrophobicContact CB-CG2 3.88Å
260G97.7Very high97.8Very high18 Ų1841.8 Ų41.819%0.18624%0.244CC..Hα-helixtrans-76.9-20.7179.500000115.7Q256 D257 Q258Q256-G260 PolarHBondContact O-N 3.46Å; Q256-G260 VanDerWaalsContact O-N 3.1Å; D257-G260 PolarHBondContact O-N 3.35Å; Q258-G260 PolarHBondContact O-N 3.12Å
261G96.9Very high97.8Very high33 Ų3341.9 Ų41.934%0.3425%0.245SC..SBendtrans-77.4-59.9-176.300000114.5Q258 P263 L264 N265Q258-G261 PolarHBondContact O-N 3.02Å; G261-P263 VanDerWaalsContact C-CD 3.46Å; G261-L264 PolarHBondContact O-N 3.46Å; G261-L264 VanDerWaalsContact O-N 3.12Å; G261-N265 PolarHBondContact O-N 3.45Å; G261-N265 VanDerWaalsContact O-N 3.17Å
262P97.7Very high97.8Very high14 Ų1445.4 Ų45.49%0.09126%0.263CS..G310 helixtrans-54-40.8-174.3-28.336000115.4F247 Q258 L264 N265 E268 M269F247-P262 HydrophobicContact CZ-CG 4.44Å; Q258-P262 WeakPolarHBondContact O-CD 3.49Å; P262-L264 PolarHBondContact O-N 2.93Å; P262-L264 VanDerWaalsContact O-N 3.14Å; P262-N265 PolarHBondContact O-N 3.23Å; P262-N265 VanDerWaalsContact O-N 3.15Å; P262-E268 WeakPolarHBondContact CB-OE2 3.36Å; P262-M269 HydrophobicContact CB-CG 4.47Å; P262-M269 HydrophobicContact CB-SD 4.07Å; P262-M269 VanDerWaalsContact O-CB 3.3Å; P262-M269 WeakPolarHBondContact O-CB 3.24Å; P262-M269 PolarHBondContact O-N 2.48Å
263P98.4Very high97.8Very high2 Ų247.3 Ų47.31%0.01328%0.276CS..G310 helixtrans-52.4-36.2176.9-30.338.3000113.8A259 G261 M269 S271 W274 I277A259-P263 WeakPolarHBondContact O-CD 3.32Å; A259-P263 WeakPolarHBondContact O-CG 3.2Å; G261-P263 VanDerWaalsContact C-CD 3.46Å; P263-M269 HydrophobicContact CB-SD 4.41Å; P263-M269 HydrophobicContact CG-SD 4.04Å; P263-S271 VanDerWaalsContact O-CB 3.3Å; P263-S271 WeakPolarHBondContact O-CB 3.45Å; P263-S271 PolarHBondContact O-N 3.39Å; P263-W274 HydrophobicContact CB-CH2 4.21Å; P263-W274 HydrophobicContact CG-CH2 4.06Å; P263-I277 HydrophobicContact CB-CD1 3.74Å
264L98.3Very high97.9Very high66 Ų6646.8 Ų46.835%0.34626%0.261SS..G310 helixtrans-101.8-5.2-175.8-55-177.2000113.6G261 P262 P266 S271 I277G261-L264 PolarHBondContact O-N 3.46Å; G261-L264 VanDerWaalsContact O-N 3.12Å; P262-L264 PolarHBondContact O-N 2.93Å; P262-L264 VanDerWaalsContact O-N 3.14Å; L264-P266 WeakPolarHBondContact O-CD 3.37Å; L264-S271 WeakPolarHBondContact CA-O 3.39Å; L264-S271 WeakPolarHBondContact CD2-O 3.37Å; L264-I277 HydrophobicContact CD2-CD1 4.31Å
265N97Very high97.9Very high47 Ų4749.6 Ų49.625%0.25127%0.274SS..  trans-74.4121.6177.9-178.2-29.7000109.7G261 P262 I267 E268 M269 A270G261-N265 PolarHBondContact O-N 3.45Å; G261-N265 VanDerWaalsContact O-N 3.17Å; P262-N265 PolarHBondContact O-N 3.23Å; P262-N265 VanDerWaalsContact O-N 3.15Å; N265-I267 PolarHBondContact O-N 3.38Å; N265-I267 VanDerWaalsContact O-N 3.15Å; N265-I267 PolarHBondContact OD1-N 2.9Å; N265-E268 HydrophobicContact CB-CB 4.01Å; N265-E268 HydrophobicContact CB-CG 4.02Å; N265-E268 PolarHBondContact ND2-OE1 2.81Å; N265-E268 PolarHBondContact O-N 3.11Å; N265-M269 PolarHBondContact O-N 3.47Å; N265-A270 WeakPolarHBondContact O-CA 3.39Å; N265-A270 PolarHBondContact O-N 2.84Å
266P96.7Very high97.9Very high103 Ų10351.3 Ų51.367%0.66928%0.281SS*.THydrogen-bonded Turntrans-64.6-18.2-176.427.2-36.3000114.7L264L264-P266 WeakPolarHBondContact O-CD 3.37Å
267I95.7Very high97.9Very high69 Ų6948.7 Ų48.735%0.35427%0.269SS..THydrogen-bonded Turntrans-90.3-26.1175.8-62.8160.9000111.3G224 A228 N265G224-I267 WeakPolarHBondContact CA-O 3.21Å; A228-I267 HydrophobicContact CB-CG2 4.16Å; N265-I267 PolarHBondContact O-N 3.38Å; N265-I267 VanDerWaalsContact O-N 3.15Å; N265-I267 PolarHBondContact OD1-N 2.9Å
268E97Very high97.9Very high58 Ų5845.8 Ų45.827%0.27125%0.253SS..THydrogen-bonded Turntrans-94.3-91.8-176.8-56.7177.7-119.900110.3G224 V225 P262 N265G224-E268 CarbonylContact C-O 3.59Å; G224-E268 WeakPolarHBondContact CA-O 3.4Å; V225-E268 PolarHBondContact N-O 3.27Å; P262-E268 WeakPolarHBondContact CB-OE2 3.36Å; N265-E268 HydrophobicContact CB-CB 4.01Å; N265-E268 HydrophobicContact CB-CG 4.02Å; N265-E268 PolarHBondContact ND2-OE1 2.81Å; N265-E268 PolarHBondContact O-N 3.11Å
269M98.4Very high97.9Very high7 Ų747.1 Ų47.13%0.03427%0.268CS..THydrogen-bonded Turntrans-101.6-13.3-174.9-54.817874.200113.4L197 S198 A199 I203 P262 P263 N265 S271L197-M269 HydrophobicContact CB-CE 3.28Å; L197-M269 HydrophobicContact CD1-CE 4.31Å; L197-M269 HydrophobicContact CG-CE 4.44Å; S198-M269 CarbonylContact C-O 3.55Å; S198-M269 WeakPolarHBondContact CA-O 3.48Å; S198-M269 WeakPolarHBondContact CB-O 3.29Å; A199-M269 PolarHBondContact N-O 3.31Å; I203-M269 HydrophobicContact CG2-CG 4.3Å; I203-M269 WeakPolarHBondContact O-CE 3.44Å; P262-M269 HydrophobicContact CB-CG 4.47Å; P262-M269 HydrophobicContact CB-SD 4.07Å; P262-M269 VanDerWaalsContact O-CB 3.3Å; P262-M269 WeakPolarHBondContact O-CB 3.24Å; P262-M269 PolarHBondContact O-N 2.48Å; P263-M269 HydrophobicContact CB-SD 4.41Å; P263-M269 HydrophobicContact CG-SD 4.04Å; N265-M269 PolarHBondContact O-N 3.47Å; M269-S271 VanDerWaalsContact C-N 3.26Å; M269-S271 PolarHBondContact O-N 3Å
270A98Very high97.9Very high26 Ų2648.2 Ų48.222%0.21527%0.271CS..  trans58.813.5164.500000118.6A199 V225 N265A199-A270 HydrophobicContact CB-CB 4.27Å; A199-A270 WeakPolarHBondContact CB-O 3.33Å; V225-A270 HydrophobicContact CB-CB 4.11Å; V225-A270 HydrophobicContact CG1-CB 4.33Å; V225-A270 HydrophobicContact CG2-CB 4.38Å; N265-A270 WeakPolarHBondContact O-CA 3.39Å; N265-A270 PolarHBondContact O-N 2.84Å
271S98.6Very high98Very high3 Ų347.3 Ų47.32%0.02126%0.262CS..  trans-64.3138.9172.7-69.50000110L197 A199 P263 L264 M269 I277 K280L197-S271 PolarHBondContact O-OG 3.23Å; A199-S271 PolarHBondContact N-OG 2.86Å; P263-S271 VanDerWaalsContact O-CB 3.3Å; P263-S271 WeakPolarHBondContact O-CB 3.45Å; P263-S271 PolarHBondContact O-N 3.39Å; L264-S271 WeakPolarHBondContact CA-O 3.39Å; L264-S271 WeakPolarHBondContact CD2-O 3.37Å; M269-S271 VanDerWaalsContact C-N 3.26Å; M269-S271 PolarHBondContact O-N 3Å; S271-I277 WeakPolarHBondContact OG-CG1 3.22Å; S271-K280 PolarHBondContact OG-NZ 3.34Å
272K98.1Very high98Very high192 Ų19249.8 Ų49.884%0.83527%0.265SS*.SBendtrans-74.5-28.9-175.3-62.4175.2-176.1173.20112.8E276K272-E276 VanDerWaalsContact CB-OE2 3.31Å; K272-E276 WeakPolarHBondContact CB-OE2 3.23Å; K272-E276 WeakPolarHBondContact CG-OE2 3.3Å; K272-E276 PolarHBondContact N-OE2 3.14Å
273S98.4Very high98Very high44 Ų4457.2 Ų57.231%0.30830%0.295SS..  trans-161166-179.966.20000111D275 E276 I277S273-D275 PolarHBondContact O-N 2.96Å; S273-D275 PolarHBondContact OG-N 2.86Å; S273-E276 PolarHBondContact O-N 3.39Å; S273-E276 PolarHBondContact OG-N 2.85Å; S273-I277 PolarHBondContact O-N 3.25Å
274W98.5Very high98Very high52 Ų5258.9 Ų58.920%0.19731%0.305CS..Hα-helixtrans-61.8-33.4167.3-75.7110.5000112.3P263 E276 I277 I278 I304 T305P263-W274 HydrophobicContact CB-CH2 4.21Å; P263-W274 HydrophobicContact CG-CH2 4.06Å; W274-E276 VanDerWaalsContact C-N 3.29Å; W274-E276 PolarHBondContact O-N 3.2Å; W274-I277 HydrophobicContact CD2-CD1 4.22Å; W274-I277 HydrophobicContact CE3-CB 4.23Å; W274-I277 HydrophobicContact CE3-CD1 3.6Å; W274-I277 HydrophobicContact CE3-CG2 4.24Å; W274-I277 HydrophobicContact CH2-CD1 4.5Å; W274-I277 HydrophobicContact CZ3-CD1 3.76Å; W274-I277 HydrophobicContact CZ3-CG2 4.28Å; W274-I277 WeakPolarHBondContact O-CB 3.45Å; W274-I277 PolarHBondContact O-N 3.15Å; W274-I277 VanDerWaalsContact O-N 3.1Å; W274-I278 HydrophobicContact CB-CD1 4.42Å; W274-I278 WeakPolarHBondContact O-CB 3.41Å; W274-I278 WeakPolarHBondContact O-CG1 3.48Å; W274-I278 PolarHBondContact O-N 2.97Å; W274-I304 HydrophobicContact CE3-CD1 3.92Å; W274-I304 HydrophobicContact CH2-CB 4.48Å; W274-I304 HydrophobicContact CH2-CG2 4.1Å; W274-I304 HydrophobicContact CZ3-CB 4.03Å; W274-I304 HydrophobicContact CZ3-CD1 3.85Å; W274-I304 HydrophobicContact CZ3-CG2 3.73Å; W274-T305 HydrophobicContact CH2-CG2 3.67Å; W274-T305 HydrophobicContact CZ2-CG2 3.7Å
275D98.6Very high98Very high123 Ų12360.8 Ų60.866%0.65832%0.321SS*.Hα-helixtrans-60.6-37.9176.8-62-22.5000112.3S273 I278 A279S273-D275 PolarHBondContact O-N 2.96Å; S273-D275 PolarHBondContact OG-N 2.86Å; D275-I278 PolarHBondContact O-N 2.7Å; D275-A279 VanDerWaalsContact O-CB 3.28Å; D275-A279 WeakPolarHBondContact O-CB 3.36Å; D275-A279 PolarHBondContact O-N 3.47Å
276E98.6Very high97.9Very high53 Ų5366.1 Ų66.125%0.24834%0.344CS..Hα-helixtrans-62.8-45.1174177.9-176.7178.100111.4K272 S273 W274 K280K272-E276 VanDerWaalsContact CB-OE2 3.31Å; K272-E276 WeakPolarHBondContact CB-OE2 3.23Å; K272-E276 WeakPolarHBondContact CG-OE2 3.3Å; K272-E276 PolarHBondContact N-OE2 3.14Å; S273-E276 PolarHBondContact O-N 3.39Å; S273-E276 PolarHBondContact OG-N 2.85Å; W274-E276 VanDerWaalsContact C-N 3.29Å; W274-E276 PolarHBondContact O-N 3.2Å; E276-K280 VanDerWaalsContact O-CE 3.28Å; E276-K280 WeakPolarHBondContact O-CE 3.24Å; E276-K280 PolarHBondContact O-N 3.3Å; E276-K280 IonicContact OE1-NZ 2.87Å
277I98.7Very high98Very high0 Ų061.6 Ų61.60%031%0.314CS..Hα-helixtrans-61.4-50.6177.7-65.8168.1000109.7L197 P263 L264 S271 S273 W274 A279 K280 L281 I304L197-I277 HydrophobicContact CD2-CG2 3.61Å; P263-I277 HydrophobicContact CB-CD1 3.74Å; L264-I277 HydrophobicContact CD2-CD1 4.31Å; S271-I277 WeakPolarHBondContact OG-CG1 3.22Å; S273-I277 PolarHBondContact O-N 3.25Å; W274-I277 HydrophobicContact CD2-CD1 4.22Å; W274-I277 HydrophobicContact CE3-CB 4.23Å; W274-I277 HydrophobicContact CE3-CD1 3.6Å; W274-I277 HydrophobicContact CE3-CG2 4.24Å; W274-I277 HydrophobicContact CH2-CD1 4.5Å; W274-I277 HydrophobicContact CZ3-CD1 3.76Å; W274-I277 HydrophobicContact CZ3-CG2 4.28Å; W274-I277 WeakPolarHBondContact O-CB 3.45Å; W274-I277 PolarHBondContact O-N 3.15Å; W274-I277 VanDerWaalsContact O-N 3.1Å; I277-A279 VanDerWaalsContact C-N 3.34Å; I277-A279 PolarHBondContact O-N 3.3Å; I277-K280 WeakPolarHBondContact O-CA 3.35Å; I277-K280 WeakPolarHBondContact O-CB 3.47Å; I277-K280 PolarHBondContact O-N 3.43Å; I277-L281 HydrophobicContact CG2-CD1 3.84Å; I277-L281 HydrophobicContact CG2-CG 4.15Å; I277-L281 WeakPolarHBondContact O-CG 3.46Å; I277-L281 PolarHBondContact O-N 2.89Å; I277-I304 HydrophobicContact CG2-CD1 4.34Å
278I98.7Very high98.1Very high24 Ų2461.7 Ų61.712%0.12331%0.312CS..Hα-helixtrans-58.7-46.2-179.1-67.1168.6000110.4W274 D275 K280 L281 E282 F299 I304W274-I278 HydrophobicContact CB-CD1 4.42Å; W274-I278 WeakPolarHBondContact O-CB 3.41Å; W274-I278 WeakPolarHBondContact O-CG1 3.48Å; W274-I278 PolarHBondContact O-N 2.97Å; D275-I278 PolarHBondContact O-N 2.7Å; I278-K280 PolarHBondContact O-N 3.11Å; I278-K280 VanDerWaalsContact O-N 3.14Å; I278-L281 PolarHBondContact O-N 2.98Å; I278-L281 VanDerWaalsContact O-N 3.11Å; I278-E282 HydrophobicContact CG2-CG 3.94Å; I278-E282 WeakPolarHBondContact O-CB 3.5Å; I278-E282 WeakPolarHBondContact O-CG 3.48Å; I278-E282 PolarHBondContact O-N 3.29Å; I278-F299 HydrophobicContact CB-CB 4.41Å; I278-F299 HydrophobicContact CD1-CB 4.25Å; I278-F299 HydrophobicContact CG1-CB 3.94Å; I278-F299 HydrophobicContact CG2-CB 3.71Å; I278-F299 HydrophobicContact CG2-CG 4.33Å; I278-I304 HydrophobicContact CG1-CD1 4.15Å
279A98.5Very high98.1Very high49 Ų4962 Ų6241%0.40533%0.325SS..Hα-helixtrans-61.1-24.3177.500000113.7D275 I277 K283D275-A279 VanDerWaalsContact O-CB 3.28Å; D275-A279 WeakPolarHBondContact O-CB 3.36Å; D275-A279 PolarHBondContact O-N 3.47Å; I277-A279 VanDerWaalsContact C-N 3.34Å; I277-A279 PolarHBondContact O-N 3.3Å; A279-K283 WeakPolarHBondContact O-CD 3.14Å; A279-K283 VanDerWaalsContact O-CE 3.24Å; A279-K283 WeakPolarHBondContact O-CE 3.05Å; A279-K283 WeakPolarHBondContact O-CG 3.46Å
280K98.6Very high98Very high29 Ų2964.5 Ų64.513%0.12634%0.336CS..Hα-helixtrans-81.3-46.1171.5-69.5175.9-71.4-1710111.7R196 S198 A199 S271 E276 I277 I278 K283R196-K280 HydrophobicContact CB-CB 4.04Å; R196-K280 HydrophobicContact CG-CB 4.44Å; R196-K280 WeakPolarHBondContact O-CE 3.03Å; R196-K280 PolarHBondContact O-NZ 2.93Å; S198-K280 PolarHBondContact O-NZ 3.07Å; A199-K280 PolarHBondContact O-NZ 3.32Å; S271-K280 PolarHBondContact OG-NZ 3.34Å; E276-K280 VanDerWaalsContact O-CE 3.28Å; E276-K280 WeakPolarHBondContact O-CE 3.24Å; E276-K280 PolarHBondContact O-N 3.3Å; E276-K280 IonicContact OE1-NZ 2.87Å; I277-K280 WeakPolarHBondContact O-CA 3.35Å; I277-K280 WeakPolarHBondContact O-CB 3.47Å; I277-K280 PolarHBondContact O-N 3.43Å; I278-K280 PolarHBondContact O-N 3.11Å; I278-K280 VanDerWaalsContact O-N 3.14Å; K280-K283 PolarHBondContact O-N 3.3Å
281L98.4Very high98.1Very high0 Ų063.3 Ų63.30%033%0.326CS..Hα-helixtrans-66.5-38.1-178.4-62-178.8000112.4L191 D194 R196 L197 I277 I278 K283 D284 L287 F299 I304L191-L281 HydrophobicContact CD2-CD1 3.9Å; D194-L281 VanDerWaalsContact OD2-CD2 3.31Å; D194-L281 WeakPolarHBondContact OD2-CD2 3.46Å; R196-L281 HydrophobicContact CB-CD2 3.75Å; L197-L281 HydrophobicContact CD2-CD1 4.34Å; I277-L281 HydrophobicContact CG2-CD1 3.84Å; I277-L281 HydrophobicContact CG2-CG 4.15Å; I277-L281 WeakPolarHBondContact O-CG 3.46Å; I277-L281 PolarHBondContact O-N 2.89Å; I278-L281 PolarHBondContact O-N 2.98Å; I278-L281 VanDerWaalsContact O-N 3.11Å; L281-K283 PolarHBondContact O-N 2.67Å; L281-K283 VanDerWaalsContact O-N 3.14Å; L281-D284 WeakPolarHBondContact O-CB 3.39Å; L281-D284 PolarHBondContact O-N 3.18Å; L281-D284 VanDerWaalsContact O-N 3.09Å; L281-L287 HydrophobicContact CB-CD2 4.08Å; L281-L287 HydrophobicContact CD2-CD2 3.77Å; L281-L287 HydrophobicContact CG-CD2 4.37Å; L281-F299 HydrophobicContact CB-CD1 4.37Å; L281-F299 HydrophobicContact CB-CE1 3.84Å; L281-F299 HydrophobicContact CB-CZ 4.28Å; L281-F299 HydrophobicContact CD1-CD1 4.3Å; L281-F299 HydrophobicContact CD1-CE1 4.14Å; L281-I304 HydrophobicContact CD1-CD1 3.9Å; L281-I304 HydrophobicContact CD1-CG1 4.41Å
282E97.5Very high98Very high84 Ų8466.5 Ų66.539%0.39334%0.343SS..THydrogen-bonded Turntrans-64.3-18.4179.9-76.6-159.3107.400114.5I278 D284 K288 F299I278-E282 HydrophobicContact CG2-CG 3.94Å; I278-E282 WeakPolarHBondContact O-CB 3.5Å; I278-E282 WeakPolarHBondContact O-CG 3.48Å; I278-E282 PolarHBondContact O-N 3.29Å; E282-D284 PolarHBondContact O-N 3.29Å; E282-K288 IonicContact OE1-NZ 2.83Å; E282-K288 PolarHBondContact OE1-NZ 2.6Å; E282-F299 HydrophobicContact CG-CD2 3.71Å; E282-F299 HydrophobicContact CG-CE2 3.86Å; E282-F299 HydrophobicContact CG-CG 4.47Å
283K97.7Very high98Very high170 Ų17060 Ų6074%0.73933%0.33SS*.THydrogen-bonded Turntrans-73.8-6176.3-66.8173.9-177.4172.90112.9A279 K280 L281 P285A279-K283 WeakPolarHBondContact O-CD 3.14Å; A279-K283 VanDerWaalsContact O-CE 3.24Å; A279-K283 WeakPolarHBondContact O-CE 3.05Å; A279-K283 WeakPolarHBondContact O-CG 3.46Å; K280-K283 PolarHBondContact O-N 3.3Å; L281-K283 PolarHBondContact O-N 2.67Å; L281-K283 VanDerWaalsContact O-N 3.14Å; K283-P285 WeakPolarHBondContact O-CD 3.37Å
284D97.9Very high98Very high38 Ų3859.2 Ų59.220%0.20332%0.323CS..  trans-102.3103.8176.2-171.2-33.4000110.3R196 L281 E282 Q286 L287 K288R196-D284 IonicContact CZ-OD2 2.66Å; R196-D284 VanDerWaalsContact NH1-CB 3.29Å; R196-D284 IonicContact NH1-OD2 2.93Å; R196-D284 PolarHBondContact NH1-OD2 3.29Å; R196-D284 IonicContact NH2-OD2 3.12Å; R196-D284 PolarHBondContact NH2-OD2 3.27Å; L281-D284 WeakPolarHBondContact O-CB 3.39Å; L281-D284 PolarHBondContact O-N 3.18Å; L281-D284 VanDerWaalsContact O-N 3.09Å; E282-D284 PolarHBondContact O-N 3.29Å; D284-Q286 PolarHBondContact O-N 3.33Å; D284-Q286 PolarHBondContact OD1-N 3.33Å; D284-Q286 VanDerWaalsContact OD1-N 3.07Å; D284-L287 HydrophobicContact CB-CB 3.88Å; D284-L287 PolarHBondContact O-N 2.87Å; D284-L287 PolarHBondContact OD1-N 2.84Å; D284-K288 VanDerWaalsContact O-CB 3.23Å; D284-K288 WeakPolarHBondContact O-CB 3.49Å; D284-K288 PolarHBondContact O-N 2.89Å
285P97.6Very high98Very high105 Ų10557.2 Ų57.268%0.68232%0.315SS*.Hα-helixtrans-62.3-31.9-177.4-23.334.7000113.2K283 A289K283-P285 WeakPolarHBondContact O-CD 3.37Å; P285-A289 WeakPolarHBondContact O-CB 3.37Å; P285-A289 PolarHBondContact O-N 3.38Å
286Q96.7Very high98Very high159 Ų15956.4 Ų56.474%0.74332%0.317SS*.Hα-helixtrans-73.8-49.4-178.8-175.7178.24.800110.5D284 K288 A289 Q290D284-Q286 PolarHBondContact O-N 3.33Å; D284-Q286 PolarHBondContact OD1-N 3.33Å; D284-Q286 VanDerWaalsContact OD1-N 3.07Å; Q286-K288 VanDerWaalsContact C-N 3.3Å; Q286-K288 PolarHBondContact O-N 3.43Å; Q286-A289 PolarHBondContact O-N 3.19Å; Q286-Q290 PolarHBondContact O-N 2.96Å
287L97.4Very high97.9Very high8 Ų860 Ų604%0.04233%0.334CS..Hα-helixtrans-61-41.5175.2-178.367000110.8L187 A190 L191 L281 D284 A289 Q290 F291L187-L287 HydrophobicContact CD1-CD1 3.87Å; A190-L287 HydrophobicContact CB-CD1 4.36Å; L191-L287 HydrophobicContact CD2-CD2 4.47Å; L281-L287 HydrophobicContact CB-CD2 4.08Å; L281-L287 HydrophobicContact CD2-CD2 3.77Å; L281-L287 HydrophobicContact CG-CD2 4.37Å; D284-L287 HydrophobicContact CB-CB 3.88Å; D284-L287 PolarHBondContact O-N 2.87Å; D284-L287 PolarHBondContact OD1-N 2.84Å; L287-A289 PolarHBondContact O-N 3.33Å; L287-Q290 PolarHBondContact O-N 3.46Å; L287-F291 VanDerWaalsContact O-CB 3.28Å; L287-F291 WeakPolarHBondContact O-CB 3.32Å; L287-F291 PolarHBondContact O-N 3.23Å
288K98.1Very high97.8Very high71 Ų7160.6 Ų60.631%0.30934%0.34SS..Hα-helixtrans-60.2-44.5177179.2162.4-173.1157.40112.4E282 D284 Q286 F291 L292 F299E282-K288 IonicContact OE1-NZ 2.83Å; E282-K288 PolarHBondContact OE1-NZ 2.6Å; D284-K288 VanDerWaalsContact O-CB 3.23Å; D284-K288 WeakPolarHBondContact O-CB 3.49Å; D284-K288 PolarHBondContact O-N 2.89Å; Q286-K288 VanDerWaalsContact C-N 3.3Å; Q286-K288 PolarHBondContact O-N 3.43Å; K288-F291 PolarHBondContact O-N 3.19Å; K288-L292 HydrophobicContact CG-CD1 4.02Å; K288-L292 WeakPolarHBondContact O-CB 3.48Å; K288-L292 VanDerWaalsContact O-CG 3.32Å; K288-L292 WeakPolarHBondContact O-CG 2.99Å; K288-L292 PolarHBondContact O-N 3.32Å; K288-F299 HydrophobicContact CB-CE2 4.1Å; K288-F299 HydrophobicContact CB-CZ 4.35Å; K288-F299 HydrophobicContact CG-CE2 4.01Å
289A97.6Very high97.8Very high65 Ų6560.8 Ų60.854%0.53734%0.34SS..Hα-helixtrans-63.3-44.917600000111.8P285 Q286 L287 F291 L292 G293P285-A289 WeakPolarHBondContact O-CB 3.37Å; P285-A289 PolarHBondContact O-N 3.38Å; Q286-A289 PolarHBondContact O-N 3.19Å; L287-A289 PolarHBondContact O-N 3.33Å; A289-F291 VanDerWaalsContact C-N 3.34Å; A289-F291 PolarHBondContact O-N 2.78Å; A289-L292 PolarHBondContact O-N 3.12Å; A289-G293 PolarHBondContact O-N 2.98Å; A289-G293 VanDerWaalsContact O-N 3.08Å
290Q96.7Very high97.8Very high60 Ų6060 Ų6028%0.2833%0.332SS..Hα-helixtrans-60-45.1175.5-172.5-1757.500111.3A186 L187 Q286 L287 G293 V294A186-Q290 PolarHBondContact O-NE2 3.45Å; L187-Q290 HydrophobicContact CD1-CG 4.14Å; Q286-Q290 PolarHBondContact O-N 2.96Å; L287-Q290 PolarHBondContact O-N 3.46Å; Q290-G293 PolarHBondContact O-N 3.46Å; Q290-V294 PolarHBondContact O-N 2.97Å
291F98.5Very high97.8Very high0 Ų059.3 Ų59.30%033%0.332CS..Hα-helixtrans-62-48.3-179.4-158.7-72.6000111.5L187 L191 L287 K288 A289 G293 V294 Y295 G298 F299 N303 I304L187-F291 HydrophobicContact CD1-CB 4.31Å; L187-F291 HydrophobicContact CD1-CD2 3.89Å; L187-F291 HydrophobicContact CD1-CG 4.46Å; L187-F291 HydrophobicContact CD2-CB 4.44Å; L187-F291 HydrophobicContact CD2-CD2 3.79Å; L187-F291 HydrophobicContact CD2-CE2 4.14Å; L187-F291 HydrophobicContact CD2-CG 4.1Å; L187-F291 HydrophobicContact CG-CD2 4.28Å; L191-F291 HydrophobicContact CD1-CE2 4.16Å; L287-F291 VanDerWaalsContact O-CB 3.28Å; L287-F291 WeakPolarHBondContact O-CB 3.32Å; L287-F291 PolarHBondContact O-N 3.23Å; K288-F291 PolarHBondContact O-N 3.19Å; A289-F291 VanDerWaalsContact C-N 3.34Å; A289-F291 PolarHBondContact O-N 2.78Å; F291-G293 VanDerWaalsContact C-N 3.26Å; F291-G293 PolarHBondContact O-N 2.68Å; F291-V294 PolarHBondContact O-N 3.14Å; F291-V294 VanDerWaalsContact O-N 3.13Å; F291-Y295 HydrophobicContact CD1-CD2 4.1Å; F291-Y295 AromaticContact CE1-CD2 3.63Å; F291-Y295 HydrophobicContact CE1-CD2 3.63Å; F291-Y295 HydrophobicContact CE1-CG 4.08Å; F291-Y295 AromaticContact CZ-CD2 3.9Å; F291-Y295 HydrophobicContact CZ-CD2 3.9Å; F291-Y295 HydrophobicContact CZ-CE2 4.48Å; F291-Y295 PolarHBondContact O-N 3.2Å; F291-G298 WeakPolarHBondContact CE1-O 3.43Å; F291-F299 HydrophobicContact CB-CE1 3.89Å; F291-F299 HydrophobicContact CB-CE2 4.19Å; F291-F299 HydrophobicContact CB-CZ 3.67Å; F291-F299 HydrophobicContact CD1-CD1 4.03Å; F291-F299 HydrophobicContact CD1-CD2 4.46Å; F291-F299 HydrophobicContact CD1-CE1 4.2Å; F291-F299 HydrophobicContact CD1-CG 4.18Å; F291-F299 HydrophobicContact CD1-CZ 4.48Å; F291-F299 AromaticContact CD2-CD1 3.5Å; F291-F299 HydrophobicContact CD2-CD1 3.5Å; F291-F299 VanDerWaalsContact CD2-CD1 3.5Å; F291-F299 AromaticContact CD2-CE1 3.2Å; F291-F299 HydrophobicContact CD2-CE1 3.2Å; F291-F299 HydrophobicContact CD2-CG 4.42Å; F291-F299 AromaticContact CD2-CZ 3.92Å; F291-F299 HydrophobicContact CD2-CZ 3.92Å; F291-F299 HydrophobicContact CE1-CB 4.47Å; F291-F299 HydrophobicContact CE1-CD1 4.08Å; F291-F299 HydrophobicContact CE1-CG 4.24Å; F291-F299 AromaticContact CE2-CD1 3.55Å; F291-F299 HydrophobicContact CE2-CD1 3.55Å; F291-F299 AromaticContact CE2-CE1 3.73Å; F291-F299 HydrophobicContact CE2-CE1 3.73Å; F291-F299 HydrophobicContact CE2-CG 4.47Å; F291-F299 AromaticContact CG-CD1 3.76Å; F291-F299 HydrophobicContact CG-CD1 3.76Å; F291-F299 AromaticContact CG-CE1 3.49Å; F291-F299 HydrophobicContact CG-CE1 3.49Å; F291-F299 VanDerWaalsContact CG-CE1 3.49Å; F291-F299 HydrophobicContact CG-CE2 4.27Å; F291-F299 HydrophobicContact CG-CG 4.28Å; F291-F299 AromaticContact CG-CZ 3.77Å; F291-F299 HydrophobicContact CG-CZ 3.77Å; F291-F299 AromaticContact CZ-CD1 3.84Å; F291-F299 HydrophobicContact CZ-CD1 3.84Å; F291-F299 HydrophobicContact CZ-CE1 4.41Å; F291-F299 HydrophobicContact CZ-CG 4.38Å; F291-N303 HydrophobicContact CE1-CB 3.8Å; F291-N303 HydrophobicContact CZ-CB 3.55Å; F291-I304 HydrophobicContact CE2-CG1 3.73Å; F291-I304 HydrophobicContact CZ-CG1 3.93Å
292L98.2Very high97.8Very high71 Ų7165.7 Ų65.737%0.37236%0.362SS..Hα-helixtrans-67.8-24.6179.7-69.2174000113.4K288 A289 V294K288-L292 HydrophobicContact CG-CD1 4.02Å; K288-L292 WeakPolarHBondContact O-CB 3.48Å; K288-L292 VanDerWaalsContact O-CG 3.32Å; K288-L292 WeakPolarHBondContact O-CG 2.99Å; K288-L292 PolarHBondContact O-N 3.32Å; A289-L292 PolarHBondContact O-N 3.12Å; L292-V294 VanDerWaalsContact C-N 3.31Å
293G97.8Very high97.9Very high54 Ų5462.2 Ų62.256%0.55735%0.346SS*.Hα-helixtrans-65.5-33.4171.500000113.1A289 Q290 F291A289-G293 PolarHBondContact O-N 2.98Å; A289-G293 VanDerWaalsContact O-N 3.08Å; Q290-G293 PolarHBondContact O-N 3.46Å; F291-G293 VanDerWaalsContact C-N 3.26Å; F291-G293 PolarHBondContact O-N 2.68Å
294V98.2Very high97.9Very high28 Ų2854.1 Ų54.117%0.1731%0.311CS..Hα-helixtrans-91.6-42179.5-177.70000111.9Q183 K184 L187 Q290 F291 L292Q183-V294 HydrophobicContact CB-CG2 3.9Å; K184-V294 HydrophobicContact CB-CG1 4.4Å; K184-V294 HydrophobicContact CG-CG1 3.48Å; K184-V294 VanDerWaalsContact CG-CG1 3.48Å; L187-V294 HydrophobicContact CB-CG2 4.4Å; L187-V294 HydrophobicContact CD2-CB 3.97Å; L187-V294 HydrophobicContact CD2-CG1 4.28Å; L187-V294 HydrophobicContact CD2-CG2 4.07Å; Q290-V294 PolarHBondContact O-N 2.97Å; F291-V294 PolarHBondContact O-N 3.14Å; F291-V294 VanDerWaalsContact O-N 3.13Å; L292-V294 VanDerWaalsContact C-N 3.31Å
295Y98.5Very high98Very high10 Ų1052.7 Ų52.74%0.03930%0.304CS..  trans-125.688.1-177.5-59.8-70.5000110.4K184 L187 F291 Q297 G298 N303 D306 A307K184-Y295 WeakPolarHBondContact CD-OH 3.09Å; K184-Y295 WeakPolarHBondContact CE-OH 3.04Å; L187-Y295 HydrophobicContact CD2-CD2 3.89Å; L187-Y295 HydrophobicContact CD2-CE2 3.77Å; F291-Y295 HydrophobicContact CD1-CD2 4.1Å; F291-Y295 AromaticContact CE1-CD2 3.63Å; F291-Y295 HydrophobicContact CE1-CD2 3.63Å; F291-Y295 HydrophobicContact CE1-CG 4.08Å; F291-Y295 AromaticContact CZ-CD2 3.9Å; F291-Y295 HydrophobicContact CZ-CD2 3.9Å; F291-Y295 HydrophobicContact CZ-CE2 4.48Å; F291-Y295 PolarHBondContact O-N 3.2Å; Y295-Q297 VanDerWaalsContact CA-OE1 3.27Å; Y295-Q297 PolarHBondContact O-N 3.17Å; Y295-Q297 VanDerWaalsContact O-N 3.07Å; Y295-G298 PolarHBondContact O-N 3.44Å; Y295-N303 HydrophobicContact CD1-CB 4.09Å; Y295-N303 HydrophobicContact CD2-CB 3.9Å; Y295-N303 HydrophobicContact CE1-CB 4.34Å; Y295-N303 HydrophobicContact CE2-CB 4.16Å; Y295-N303 WeakPolarHBondContact CE2-O 3.46Å; Y295-N303 HydrophobicContact CG-CB 3.86Å; Y295-D306 PolarHBondContact OH-OD2 2.89Å; Y295-A307 HydrophobicContact CE2-CB 4.08Å; Y295-A307 PolarHBondContact OH-N 3.4Å
296P98Very high98Very high107 Ų10749.5 Ų49.570%0.69528%0.281SS*.THydrogen-bonded Turntrans-58.2-22.9-179.6-26.735.8000114.6G298P296-G298 PolarHBondContact O-N 2.82Å
297Q96.9Very high98.1Very high129 Ų12941.9 Ų41.960%0.60325%0.245SC*.THydrogen-bonded Turntrans-70.4-11.3175.172.7-82.923.900113.8Y295 N303Y295-Q297 VanDerWaalsContact CA-OE1 3.27Å; Y295-Q297 PolarHBondContact O-N 3.17Å; Y295-Q297 VanDerWaalsContact O-N 3.07Å; Q297-N303 VanDerWaalsContact CG-ND2 3.29Å; Q297-N303 WeakPolarHBondContact CG-ND2 3.34Å; Q297-N303 VanDerWaalsContact NE2-CG 3.26Å; Q297-N303 PolarHBondContact NE2-ND2 3.02Å; Q297-N303 PolarHBondContact NE2-OD1 2.87Å
298G97.1Very high98.2Very high12 Ų1241.6 Ų41.612%0.12424%0.244CC..  trans90.6-173.5178.600000114.6F291 Y295 P296 N303F291-G298 WeakPolarHBondContact CE1-O 3.43Å; Y295-G298 PolarHBondContact O-N 3.44Å; P296-G298 PolarHBondContact O-N 2.82Å; G298-N303 PolarHBondContact O-ND2 3.18Å
299F98.4Very high98.2Very high27 Ų2738.7 Ų38.712%0.11823%0.233CC..  trans-67.4134.4-177.7-69.9-89.5000111.8I278 L281 E282 K288 F291 I304I278-F299 HydrophobicContact CB-CB 4.41Å; I278-F299 HydrophobicContact CD1-CB 4.25Å; I278-F299 HydrophobicContact CG1-CB 3.94Å; I278-F299 HydrophobicContact CG2-CB 3.71Å; I278-F299 HydrophobicContact CG2-CG 4.33Å; L281-F299 HydrophobicContact CB-CD1 4.37Å; L281-F299 HydrophobicContact CB-CE1 3.84Å; L281-F299 HydrophobicContact CB-CZ 4.28Å; L281-F299 HydrophobicContact CD1-CD1 4.3Å; L281-F299 HydrophobicContact CD1-CE1 4.14Å; E282-F299 HydrophobicContact CG-CD2 3.71Å; E282-F299 HydrophobicContact CG-CE2 3.86Å; E282-F299 HydrophobicContact CG-CG 4.47Å; K288-F299 HydrophobicContact CB-CE2 4.1Å; K288-F299 HydrophobicContact CB-CZ 4.35Å; K288-F299 HydrophobicContact CG-CE2 4.01Å; F291-F299 HydrophobicContact CB-CE1 3.89Å; F291-F299 HydrophobicContact CB-CE2 4.19Å; F291-F299 HydrophobicContact CB-CZ 3.67Å; F291-F299 HydrophobicContact CD1-CD1 4.03Å; F291-F299 HydrophobicContact CD1-CD2 4.46Å; F291-F299 HydrophobicContact CD1-CE1 4.2Å; F291-F299 HydrophobicContact CD1-CG 4.18Å; F291-F299 HydrophobicContact CD1-CZ 4.48Å; F291-F299 AromaticContact CD2-CD1 3.5Å; F291-F299 HydrophobicContact CD2-CD1 3.5Å; F291-F299 VanDerWaalsContact CD2-CD1 3.5Å; F291-F299 AromaticContact CD2-CE1 3.2Å; F291-F299 HydrophobicContact CD2-CE1 3.2Å; F291-F299 HydrophobicContact CD2-CG 4.42Å; F291-F299 AromaticContact CD2-CZ 3.92Å; F291-F299 HydrophobicContact CD2-CZ 3.92Å; F291-F299 HydrophobicContact CE1-CB 4.47Å; F291-F299 HydrophobicContact CE1-CD1 4.08Å; F291-F299 HydrophobicContact CE1-CG 4.24Å; F291-F299 AromaticContact CE2-CD1 3.55Å; F291-F299 HydrophobicContact CE2-CD1 3.55Å; F291-F299 AromaticContact CE2-CE1 3.73Å; F291-F299 HydrophobicContact CE2-CE1 3.73Å; F291-F299 HydrophobicContact CE2-CG 4.47Å; F291-F299 AromaticContact CG-CD1 3.76Å; F291-F299 HydrophobicContact CG-CD1 3.76Å; F291-F299 AromaticContact CG-CE1 3.49Å; F291-F299 HydrophobicContact CG-CE1 3.49Å; F291-F299 VanDerWaalsContact CG-CE1 3.49Å; F291-F299 HydrophobicContact CG-CE2 4.27Å; F291-F299 HydrophobicContact CG-CG 4.28Å; F291-F299 AromaticContact CG-CZ 3.77Å; F291-F299 HydrophobicContact CG-CZ 3.77Å; F291-F299 AromaticContact CZ-CD1 3.84Å; F291-F299 HydrophobicContact CZ-CD1 3.84Å; F291-F299 HydrophobicContact CZ-CE1 4.41Å; F291-F299 HydrophobicContact CZ-CG 4.38Å; F299-I304 HydrophobicContact CD1-CD1 4.44Å; F299-I304 HydrophobicContact CD1-CG1 4.46Å
300S98.5Very high98.3Very high34 Ų3436.8 Ų36.824%0.23821%0.213CC..  trans-150.4159.8166.873.10000108.5E302 N303 I304S300-E302 PolarHBondContact O-N 2.87Å; S300-E302 PolarHBondContact OG-N 2.9Å; S300-N303 PolarHBondContact O-N 2.97Å; S300-N303 WeakPolarHBondContact OG-CB 3.42Å; S300-N303 PolarHBondContact OG-N 2.96Å; S300-N303 PolarHBondContact OG-ND2 3.02Å; S300-I304 WeakPolarHBondContact O-CB 3.44Å; S300-I304 WeakPolarHBondContact O-CD1 3.28Å; S300-I304 VanDerWaalsContact O-CG1 3.25Å; S300-I304 WeakPolarHBondContact O-CG1 3.45Å; S300-I304 PolarHBondContact O-N 3.13Å
301G98.4Very high98.4Very high13 Ų1333.9 Ų33.913%0.13420%0.2CC..Hα-helixtrans-57.2-36.5172.900000112.5T305G301-T305 WeakPolarHBondContact O-CB 3.29Å; G301-T305 VanDerWaalsContact O-CG2 3.29Å; G301-T305 WeakPolarHBondContact O-CG2 3.29Å; G301-T305 PolarHBondContact O-N 3.31Å; G301-T305 PolarHBondContact O-OG1 3.23Å
302E98.6Very high98.4Very high135 Ų13534.1 Ų34.163%0.63120%0.201SC*.Hα-helixtrans-62.2-50.9175.5-174-179175.600111.9Q256 S300 I304 T305 D306Q256-E302 PolarHBondContact NE2-O 3.27Å; S300-E302 PolarHBondContact O-N 2.87Å; S300-E302 PolarHBondContact OG-N 2.9Å; E302-I304 PolarHBondContact O-N 3.17Å; E302-T305 PolarHBondContact O-N 2.7Å; E302-T305 PolarHBondContact O-OG1 3.44Å; E302-D306 VanDerWaalsContact O-CB 3.26Å; E302-D306 WeakPolarHBondContact O-CB 3.16Å; E302-D306 PolarHBondContact O-N 3.12Å
303N98.8Very high98.4Very high11 Ų1133.1 Ų33.16%0.05919%0.193CC..Hα-helixtrans-68.5-35.3-178.4-63.8-21.7000112.4F291 Y295 Q297 G298 S300 A307F291-N303 HydrophobicContact CE1-CB 3.8Å; F291-N303 HydrophobicContact CZ-CB 3.55Å; Y295-N303 HydrophobicContact CD1-CB 4.09Å; Y295-N303 HydrophobicContact CD2-CB 3.9Å; Y295-N303 HydrophobicContact CE1-CB 4.34Å; Y295-N303 HydrophobicContact CE2-CB 4.16Å; Y295-N303 WeakPolarHBondContact CE2-O 3.46Å; Y295-N303 HydrophobicContact CG-CB 3.86Å; Q297-N303 VanDerWaalsContact CG-ND2 3.29Å; Q297-N303 WeakPolarHBondContact CG-ND2 3.34Å; Q297-N303 VanDerWaalsContact NE2-CG 3.26Å; Q297-N303 PolarHBondContact NE2-ND2 3.02Å; Q297-N303 PolarHBondContact NE2-OD1 2.87Å; G298-N303 PolarHBondContact O-ND2 3.18Å; S300-N303 PolarHBondContact O-N 2.97Å; S300-N303 WeakPolarHBondContact OG-CB 3.42Å; S300-N303 PolarHBondContact OG-N 2.96Å; S300-N303 PolarHBondContact OG-ND2 3.02Å; N303-A307 PolarHBondContact O-N 3.47Å; N303-A307 VanDerWaalsContact O-N 3.11Å
304I98.9Very high98.4Very high0 Ų032.4 Ų32.40%018%0.178CC..Hα-helixtrans-63.5-49.9175.6-69.5163.6000109.7L191 L197 W274 I277 I278 L281 F291 F299 S300 E302 A307 I308L191-I304 HydrophobicContact CD1-CG2 4.25Å; L191-I304 HydrophobicContact CD2-CG2 4.4Å; L197-I304 HydrophobicContact CD2-CG2 4.05Å; W274-I304 HydrophobicContact CE3-CD1 3.92Å; W274-I304 HydrophobicContact CH2-CB 4.48Å; W274-I304 HydrophobicContact CH2-CG2 4.1Å; W274-I304 HydrophobicContact CZ3-CB 4.03Å; W274-I304 HydrophobicContact CZ3-CD1 3.85Å; W274-I304 HydrophobicContact CZ3-CG2 3.73Å; I277-I304 HydrophobicContact CG2-CD1 4.34Å; I278-I304 HydrophobicContact CG1-CD1 4.15Å; L281-I304 HydrophobicContact CD1-CD1 3.9Å; L281-I304 HydrophobicContact CD1-CG1 4.41Å; F291-I304 HydrophobicContact CE2-CG1 3.73Å; F291-I304 HydrophobicContact CZ-CG1 3.93Å; F299-I304 HydrophobicContact CD1-CD1 4.44Å; F299-I304 HydrophobicContact CD1-CG1 4.46Å; S300-I304 WeakPolarHBondContact O-CB 3.44Å; S300-I304 WeakPolarHBondContact O-CD1 3.28Å; S300-I304 VanDerWaalsContact O-CG1 3.25Å; S300-I304 WeakPolarHBondContact O-CG1 3.45Å; S300-I304 PolarHBondContact O-N 3.13Å; E302-I304 PolarHBondContact O-N 3.17Å; I304-A307 PolarHBondContact O-N 3.22Å; I304-I308 HydrophobicContact CG2-CD1 3.95Å; I304-I308 WeakPolarHBondContact O-CG1 3.33Å; I304-I308 PolarHBondContact O-N 3.36Å; I304-I308 VanDerWaalsContact O-N 3.12Å
305T98.8Very high98.4Very high8 Ų831.1 Ų31.15%0.04917%0.17CC..Hα-helixtrans-69.7-34.9-179.252.30000112.5Q256 A259 W274 G301 E302 I308 A309Q256-T305 VanDerWaalsContact CG-OG1 3.28Å; Q256-T305 WeakPolarHBondContact CG-OG1 3.31Å; Q256-T305 PolarHBondContact NE2-OG1 3.19Å; A259-T305 HydrophobicContact CB-CG2 4.11Å; W274-T305 HydrophobicContact CH2-CG2 3.67Å; W274-T305 HydrophobicContact CZ2-CG2 3.7Å; G301-T305 WeakPolarHBondContact O-CB 3.29Å; G301-T305 VanDerWaalsContact O-CG2 3.29Å; G301-T305 WeakPolarHBondContact O-CG2 3.29Å; G301-T305 PolarHBondContact O-N 3.31Å; G301-T305 PolarHBondContact O-OG1 3.23Å; E302-T305 PolarHBondContact O-N 2.7Å; E302-T305 PolarHBondContact O-OG1 3.44Å; T305-I308 PolarHBondContact O-N 3.08Å; T305-A309 VanDerWaalsContact O-CB 3.27Å; T305-A309 WeakPolarHBondContact O-CB 3.26Å; T305-A309 PolarHBondContact O-N 2.77Å
306D98.8Very high98.4Very high37 Ų3731.2 Ų31.220%0.19817%0.172CC..Hα-helixtrans-61.5-45174.5-175.148.3000111K184 Y295 E302 A309 E310K184-D306 IonicContact NZ-OD1 2.68Å; K184-D306 IonicContact NZ-OD2 2.89Å; K184-D306 PolarHBondContact NZ-OD2 3.19Å; Y295-D306 PolarHBondContact OH-OD2 2.89Å; E302-D306 VanDerWaalsContact O-CB 3.26Å; E302-D306 WeakPolarHBondContact O-CB 3.16Å; E302-D306 PolarHBondContact O-N 3.12Å; D306-A309 PolarHBondContact O-N 3.12Å; D306-E310 WeakPolarHBondContact O-CB 3.21Å; D306-E310 PolarHBondContact O-N 3.02Å
307A98.8Very high98.4Very high0 Ų026.2 Ų26.20%014%0.139CC..Hα-helixtrans-61.8-47.1175.200000112.4L187 G188 L191 Y295 N303 I304 E310 F311L187-A307 HydrophobicContact CB-CB 4.43Å; L187-A307 HydrophobicContact CD2-CB 4.11Å; L187-A307 HydrophobicContact CG-CB 4.06Å; G188-A307 VanDerWaalsContact CA-C 3.45Å; G188-A307 WeakPolarHBondContact CA-O 3.42Å; L191-A307 HydrophobicContact CD1-CB 3.82Å; Y295-A307 HydrophobicContact CE2-CB 4.08Å; Y295-A307 PolarHBondContact OH-N 3.4Å; N303-A307 PolarHBondContact O-N 3.47Å; N303-A307 VanDerWaalsContact O-N 3.11Å; I304-A307 PolarHBondContact O-N 3.22Å; A307-E310 PolarHBondContact O-N 2.78Å; A307-F311 PolarHBondContact O-N 3.3Å
308I98.8Very high98.4Very high1 Ų120.7 Ų20.71%0.00511%0.114CC..Hα-helixtrans-60.1-48.2178.3-67.9167.2000110.3L191 Y192 L197 A259 I304 T305 E310 F311 E312L191-I308 HydrophobicContact CB-CD1 4.09Å; L191-I308 HydrophobicContact CB-CG1 3.74Å; L191-I308 HydrophobicContact CD1-CG1 4.49Å; Y192-I308 HydrophobicContact CD2-CG2 4.39Å; L197-I308 HydrophobicContact CD1-CD1 4.02Å; A259-I308 HydrophobicContact CB-CB 4.28Å; A259-I308 HydrophobicContact CB-CG2 3.88Å; I304-I308 HydrophobicContact CG2-CD1 3.95Å; I304-I308 WeakPolarHBondContact O-CG1 3.33Å; I304-I308 PolarHBondContact O-N 3.36Å; I304-I308 VanDerWaalsContact O-N 3.12Å; T305-I308 PolarHBondContact O-N 3.08Å; I308-E310 VanDerWaalsContact C-N 3.27Å; I308-E310 PolarHBondContact O-N 3.14Å; I308-F311 WeakPolarHBondContact O-CB 3.49Å; I308-F311 PolarHBondContact O-N 3.15Å; I308-F311 VanDerWaalsContact O-N 3.13Å; I308-E312 HydrophobicContact CG2-CG 4.36Å; I308-E312 WeakPolarHBondContact O-CG 3.42Å; I308-E312 PolarHBondContact O-N 3.05Å
309A98.8Very high98.4Very high11 Ų1122.6 Ų22.69%0.09112%0.122CC..Hα-helixtrans-59.7-38.1177.700000112.2L255 Q256 T305 D306 E312 K313L255-A309 HydrophobicContact CB-CB 3.79Å; Q256-A309 HydrophobicContact CB-CB 3.99Å; T305-A309 VanDerWaalsContact O-CB 3.27Å; T305-A309 WeakPolarHBondContact O-CB 3.26Å; T305-A309 PolarHBondContact O-N 2.77Å; D306-A309 PolarHBondContact O-N 3.12Å; A309-E312 PolarHBondContact O-N 3.38Å; A309-K313 PolarHBondContact O-N 3.41Å
310E98.7Very high98.4Very high24 Ų2421.3 Ų21.311%0.11212%0.116CC..Hα-helixtrans-66.6-37.1177.3-166.760.4-157.900112.1T180 D181 K184 V185 D306 A307 I308 K313T180-E310 WeakPolarHBondContact CA-OE1 3.48Å; T180-E310 WeakPolarHBondContact CB-OE1 3.26Å; D181-E310 HydrophobicContact CB-CG 4.35Å; D181-E310 PolarHBondContact N-OE1 3.06Å; K184-E310 HydrophobicContact CB-CB 3.92Å; K184-E310 HydrophobicContact CB-CG 3.6Å; K184-E310 HydrophobicContact CD-CB 4.47Å; K184-E310 HydrophobicContact CD-CG 4.18Å; V185-E310 HydrophobicContact CG2-CG 4.13Å; D306-E310 WeakPolarHBondContact O-CB 3.21Å; D306-E310 PolarHBondContact O-N 3.02Å; A307-E310 PolarHBondContact O-N 2.78Å; I308-E310 VanDerWaalsContact C-N 3.27Å; I308-E310 PolarHBondContact O-N 3.14Å; E310-K313 IonicContact OE1-NZ 3.01Å; E310-K313 PolarHBondContact OE1-NZ 3.21Å; E310-K313 VanDerWaalsContact OE2-CD 3.27Å; E310-K313 WeakPolarHBondContact OE2-CD 3.42Å; E310-K313 IonicContact OE2-NZ 2.82Å; E310-K313 PolarHBondContact OE2-NZ 3.38Å
311F98.5Very high98.4Very high0 Ų021.8 Ų21.80%012%0.118CC..Hα-helixtrans-66-42.6169.1167.7-112.9000112.2V185 F189 Y192 L211 A307 I308 K313 T314 L315 Y458V185-F311 HydrophobicContact CG1-CD2 4.18Å; F189-F311 HydrophobicContact CB-CD2 3.83Å; F189-F311 HydrophobicContact CB-CE2 4.03Å; F189-F311 HydrophobicContact CB-CG 4.21Å; F189-F311 HydrophobicContact CD2-CD2 4.24Å; F189-F311 HydrophobicContact CD2-CE1 4.41Å; F189-F311 AromaticContact CD2-CE2 3.54Å; F189-F311 HydrophobicContact CD2-CE2 3.54Å; F189-F311 AromaticContact CD2-CZ 3.63Å; F189-F311 HydrophobicContact CD2-CZ 3.63Å; F189-F311 HydrophobicContact CE2-CZ 4.4Å; F189-F311 HydrophobicContact CG-CE2 4.28Å; Y192-F311 AromaticContact CD1-CE1 3.81Å; Y192-F311 HydrophobicContact CD1-CE1 3.81Å; Y192-F311 AromaticContact CD2-CD1 3.98Å; Y192-F311 HydrophobicContact CD2-CD1 3.98Å; Y192-F311 AromaticContact CD2-CE1 3.87Å; Y192-F311 HydrophobicContact CD2-CE1 3.87Å; Y192-F311 HydrophobicContact CE1-CE1 4.3Å; Y192-F311 HydrophobicContact CE2-CE1 4.35Å; Y192-F311 AromaticContact CG-CD1 3.87Å; Y192-F311 HydrophobicContact CG-CD1 3.87Å; Y192-F311 AromaticContact CG-CE1 3.58Å; Y192-F311 HydrophobicContact CG-CE1 3.58Å; L211-F311 HydrophobicContact CD1-CE1 4.31Å; L211-F311 HydrophobicContact CD1-CZ 3.85Å; A307-F311 PolarHBondContact O-N 3.3Å; I308-F311 WeakPolarHBondContact O-CB 3.49Å; I308-F311 PolarHBondContact O-N 3.15Å; I308-F311 VanDerWaalsContact O-N 3.13Å; F311-K313 PolarHBondContact O-N 2.86Å; F311-K313 VanDerWaalsContact O-N 3.15Å; F311-T314 WeakPolarHBondContact O-CB 3.37Å; F311-T314 PolarHBondContact O-N 3.05Å; F311-T314 PolarHBondContact O-OG1 3.18Å; F311-L315 HydrophobicContact CE1-CD1 4.21Å; F311-L315 HydrophobicContact CE1-CD2 4.17Å; F311-L315 HydrophobicContact CE1-CG 4.41Å; F311-L315 HydrophobicContact CE2-CD2 4.23Å; F311-L315 HydrophobicContact CZ-CD2 3.72Å; F311-L315 HydrophobicContact CZ-CG 4.37Å; F311-Y458 HydrophobicContact CE2-CG 4.42Å
312E98.6Very high98.4Very high5 Ų521.2 Ų21.22%0.02311%0.112CC..Hα-helixtrans-61.3-26.1-179.7-73.9-179.8171.300113.1L255 I308 A309 T314 L315L255-E312 HydrophobicContact CD1-CB 3.95Å; L255-E312 WeakPolarHBondContact CD2-OE2 3.35Å; I308-E312 HydrophobicContact CG2-CG 4.36Å; I308-E312 WeakPolarHBondContact O-CG 3.42Å; I308-E312 PolarHBondContact O-N 3.05Å; A309-E312 PolarHBondContact O-N 3.38Å; E312-T314 PolarHBondContact O-N 3.11Å; E312-L315 HydrophobicContact CB-CD1 4.43Å; E312-L315 HydrophobicContact CG-CD1 4.14Å; E312-L315 WeakPolarHBondContact O-CB 3.49Å; E312-L315 PolarHBondContact O-N 3.35Å
313K98.2Very high98.4Very high50 Ų5014.8 Ų14.822%0.2178%0.082CC..THydrogen-bonded Turntrans-60.9-24170.2-68.1165.362.1-166.10113.3P179 T180 V241 L255 A309 E310 F311 L315P179-K313 VanDerWaalsContact O-CE 3.27Å; P179-K313 WeakPolarHBondContact O-CE 3.32Å; P179-K313 PolarHBondContact O-NZ 3.29Å; T180-K313 HydrophobicContact CG2-CB 3.86Å; V241-K313 HydrophobicContact CG2-CB 4.32Å; V241-K313 HydrophobicContact CG2-CG 3.79Å; L255-K313 HydrophobicContact CD1-CG 4.31Å; A309-K313 PolarHBondContact O-N 3.41Å; E310-K313 IonicContact OE1-NZ 3.01Å; E310-K313 PolarHBondContact OE1-NZ 3.21Å; E310-K313 VanDerWaalsContact OE2-CD 3.27Å; E310-K313 WeakPolarHBondContact OE2-CD 3.42Å; E310-K313 IonicContact OE2-NZ 2.82Å; E310-K313 PolarHBondContact OE2-NZ 3.38Å; F311-K313 PolarHBondContact O-N 2.86Å; F311-K313 VanDerWaalsContact O-N 3.15Å; K313-L315 VanDerWaalsContact C-N 3.31Å
314T97.7Very high98.4Very high38 Ų3818.4 Ų18.423%0.23310%0.097CC..THydrogen-bonded Turntrans-80.8-13.1175.676.70000112.7T180 V185 F311 E312 I316T180-T314 HydrophobicContact CG2-CG2 4.03Å; V185-T314 HydrophobicContact CG1-CG2 3.84Å; V185-T314 HydrophobicContact CG2-CG2 3.81Å; F311-T314 WeakPolarHBondContact O-CB 3.37Å; F311-T314 PolarHBondContact O-N 3.05Å; F311-T314 PolarHBondContact O-OG1 3.18Å; E312-T314 PolarHBondContact O-N 3.11Å; T314-I316 PolarHBondContact O-N 3.17Å
315L98Very high98.4Very high1 Ų119.4 Ų19.41%0.00510%0.101CC..  trans-7945.4-178-57.8-177.8000112Y192 L211 V237 F238 N239 F311 E312 K313 Y455Y192-L315 HydrophobicContact CE2-CD1 4.5Å; L211-L315 HydrophobicContact CD1-CD2 4Å; L211-L315 HydrophobicContact CD2-CD1 3.91Å; L211-L315 HydrophobicContact CD2-CD2 3.81Å; L211-L315 HydrophobicContact CD2-CG 4.5Å; V237-L315 HydrophobicContact CB-CD1 3.94Å; V237-L315 HydrophobicContact CG2-CD1 3.84Å; F238-L315 CarbonylContact C-O 3.53Å; F238-L315 WeakPolarHBondContact CA-O 3.36Å; F238-L315 HydrophobicContact CD1-CB 4Å; F238-L315 HydrophobicContact CE1-CB 4.42Å; F238-L315 HydrophobicContact CE1-CD2 4.31Å; N239-L315 PolarHBondContact N-O 2.74Å; F311-L315 HydrophobicContact CE1-CD1 4.21Å; F311-L315 HydrophobicContact CE1-CD2 4.17Å; F311-L315 HydrophobicContact CE1-CG 4.41Å; F311-L315 HydrophobicContact CE2-CD2 4.23Å; F311-L315 HydrophobicContact CZ-CD2 3.72Å; F311-L315 HydrophobicContact CZ-CG 4.37Å; E312-L315 HydrophobicContact CB-CD1 4.43Å; E312-L315 HydrophobicContact CG-CD1 4.14Å; E312-L315 WeakPolarHBondContact O-CB 3.49Å; E312-L315 PolarHBondContact O-N 3.35Å; K313-L315 VanDerWaalsContact C-N 3.31Å; L315-Y455 HydrophobicContact CD2-CE2 3.92Å
316I98.3Very high98.4Very high13 Ų1319 Ų197%0.06710%0.099CC..  trans-94.9151.3171.663.9173.9000110.2I174 P175 L178 N239 V241 F242 T314 P318I174-I316 HydrophobicContact CG2-CB 4.18Å; P175-I316 WeakPolarHBondContact O-CD1 3.47Å; L178-I316 HydrophobicContact CD1-CG2 3.78Å; L178-I316 HydrophobicContact CG-CD1 4.2Å; L178-I316 HydrophobicContact CG-CG2 4.4Å; N239-I316 WeakPolarHBondContact OD1-CA 3.14Å; V241-I316 HydrophobicContact CG1-CG2 3.82Å; F242-I316 HydrophobicContact CE2-CB 4.39Å; F242-I316 HydrophobicContact CE2-CG2 3.58Å; F242-I316 HydrophobicContact CZ-CG2 3.91Å; T314-I316 PolarHBondContact O-N 3.17Å; I316-P318 WeakPolarHBondContact O-CD 3.39Å
317T98.2Very high98.4Very high2 Ų219.9 Ų19.91%0.01210%0.099CC..  trans-125.975.9-178.9620000111I174 F238 N239 N404 G453 V454I174-T317 WeakPolarHBondContact CD1-O 3.33Å; F238-T317 HydrophobicContact CB-CG2 4.09Å; F238-T317 HydrophobicContact CD1-CG2 3.76Å; F238-T317 HydrophobicContact CD2-CG2 4.31Å; F238-T317 HydrophobicContact CE1-CG2 4.27Å; F238-T317 HydrophobicContact CG-CG2 3.81Å; N239-T317 PolarHBondContact ND2-OG1 3.5Å; N239-T317 PolarHBondContact OD1-N 3.27Å; N239-T317 PolarHBondContact OD1-OG1 3.02Å; T317-N404 WeakPolarHBondContact CG2-ND2 3.37Å; T317-N404 PolarHBondContact OG1-ND2 3.07Å; T317-G453 WeakPolarHBondContact O-CA 3.5Å; T317-V454 WeakPolarHBondContact CA-O 3.33Å
318P97.4Very high98.3Very high12 Ų1221.4 Ų21.48%0.07812%0.115CC..  trans-69.1-173.2177.732.2-37000111.9I174 I316 S320 G453 V454I174-P318 HydrophobicContact CG2-CB 4.16Å; I316-P318 WeakPolarHBondContact O-CD 3.39Å; P318-S320 PolarHBondContact O-N 3.15Å; P318-S320 VanDerWaalsContact O-N 3.13Å; P318-G453 CarbonylContact O-C 3.59Å; P318-G453 WeakPolarHBondContact O-CA 3.3Å; P318-V454 WeakPolarHBondContact CD-O 3.32Å; P318-V454 PolarHBondContact O-N 3.12Å
319D97.4Very high98.3Very high53 Ų5324.8 Ų24.828%0.28313%0.133SC..  trans60.424.6170.9-60.9-31.2000116.7Q176 K324 V454Q176-D319 PolarHBondContact NE2-OD1 3.13Å; Q176-D319 PolarHBondContact OE1-OD1 2.8Å; D319-K324 WeakPolarHBondContact O-CE 3.35Å; D319-V454 HydrophobicContact CB-CB 4.42Å; D319-V454 HydrophobicContact CB-CG2 4.11Å
320S98.7Very high98.2Very high0 Ų027.8 Ų27.80%015%0.145CC..  trans-59.9149.9164.268.70000110.5P318 F322 D323 K324 R403 S450 N452P318-S320 PolarHBondContact O-N 3.15Å; P318-S320 VanDerWaalsContact O-N 3.13Å; S320-F322 PolarHBondContact O-N 2.76Å; S320-F322 VanDerWaalsContact O-N 3.15Å; S320-D323 PolarHBondContact O-N 2.96Å; S320-D323 WeakPolarHBondContact OG-CB 3.46Å; S320-D323 PolarHBondContact OG-N 3.2Å; S320-D323 PolarHBondContact OG-OD2 3.03Å; S320-K324 PolarHBondContact O-N 3.23Å; S320-R403 PolarHBondContact OG-NH1 3.34Å; S320-S450 WeakPolarHBondContact CB-O 3.4Å; S320-N452 VanDerWaalsContact CA-O 3.27Å; S320-N452 WeakPolarHBondContact CA-O 3.28Å; S320-N452 VanDerWaalsContact CB-O 3.23Å; S320-N452 WeakPolarHBondContact CB-O 3.42Å
321P98.8Very high98.1Very high44 Ų4433.8 Ų33.829%0.28618%0.178SC..Hα-helixtrans-47.4-40.1170.8-30.234.5000112.9K324 W325 A332 L333 S450 N452P321-K324 PolarHBondContact O-N 3.21Å; P321-W325 PolarHBondContact O-N 2.94Å; P321-A332 WeakPolarHBondContact CB-O 3.49Å; P321-A332 VanDerWaalsContact O-CB 3.26Å; P321-A332 WeakPolarHBondContact O-CB 3.1Å; P321-L333 HydrophobicContact CB-CD2 4.01Å; P321-S450 VanDerWaalsContact CD-O 3.24Å; P321-S450 WeakPolarHBondContact CD-O 3.29Å; P321-N452 WeakPolarHBondContact CD-O 3.41Å
322F98.8Very high98.1Very high0 Ų034.9 Ų34.90%019%0.187CC..Hα-helixtrans-65.6-40.9175.4-168.9-111.9000113.4V171 S320 K324 W325 L326 L333 Y341 F447 S450 L451V171-F322 HydrophobicContact CB-CE1 4.31Å; V171-F322 HydrophobicContact CG1-CE1 3.7Å; S320-F322 PolarHBondContact O-N 2.76Å; S320-F322 VanDerWaalsContact O-N 3.15Å; F322-K324 VanDerWaalsContact C-N 3.33Å; F322-K324 PolarHBondContact O-N 2.88Å; F322-W325 HydrophobicContact CD2-CE3 4.01Å; F322-W325 AromaticContact CE2-CE3 3.6Å; F322-W325 HydrophobicContact CE2-CE3 3.6Å; F322-W325 AromaticContact CE2-CZ3 3.69Å; F322-W325 HydrophobicContact CE2-CZ3 3.69Å; F322-W325 HydrophobicContact CZ-CE3 4.24Å; F322-W325 HydrophobicContact CZ-CZ3 4.09Å; F322-W325 PolarHBondContact O-N 3.28Å; F322-L326 HydrophobicContact CD1-CD1 3.84Å; F322-L326 HydrophobicContact CD1-CG 4.23Å; F322-L326 HydrophobicContact CE1-CD1 3.56Å; F322-L326 HydrophobicContact CE1-CD2 4.22Å; F322-L326 HydrophobicContact CE1-CG 3.93Å; F322-L326 HydrophobicContact CZ-CD1 4.26Å; F322-L326 HydrophobicContact CZ-CD2 4.08Å; F322-L326 HydrophobicContact CZ-CG 4.18Å; F322-L326 WeakPolarHBondContact O-CG 3.29Å; F322-L326 PolarHBondContact O-N 3.03Å; F322-L333 HydrophobicContact CB-CD2 4.47Å; F322-L333 HydrophobicContact CD2-CD1 3.83Å; F322-L333 HydrophobicContact CE2-CD1 4.35Å; F322-Y341 AromaticContact CE2-CD1 3.94Å; F322-Y341 HydrophobicContact CE2-CD1 3.94Å; F322-Y341 HydrophobicContact CE2-CD2 4.03Å; F322-Y341 HydrophobicContact CE2-CE1 4.07Å; F322-Y341 HydrophobicContact CE2-CE2 4.15Å; F322-Y341 AromaticContact CE2-CG 3.92Å; F322-Y341 HydrophobicContact CE2-CG 3.92Å; F322-Y341 HydrophobicContact CZ-CD1 4.28Å; F322-Y341 HydrophobicContact CZ-CD2 4.05Å; F322-Y341 AromaticContact CZ-CE1 3.97Å; F322-Y341 HydrophobicContact CZ-CE1 3.97Å; F322-Y341 AromaticContact CZ-CE2 3.71Å; F322-Y341 HydrophobicContact CZ-CE2 3.71Å; F322-Y341 HydrophobicContact CZ-CG 4.32Å; F322-Y341 AromaticContact CZ-CZ 3.68Å; F322-F447 HydrophobicContact CD1-CE2 4.49Å; F322-F447 HydrophobicContact CD2-CD2 4.26Å; F322-F447 AromaticContact CD2-CE2 3.59Å; F322-F447 HydrophobicContact CD2-CE2 3.59Å; F322-F447 HydrophobicContact CE1-CE2 4.45Å; F322-F447 HydrophobicContact CE2-CD2 4.42Å; F322-F447 AromaticContact CE2-CE2 3.58Å; F322-F447 HydrophobicContact CE2-CE2 3.58Å; F322-F447 HydrophobicContact CE2-CZ 4.4Å; F322-F447 HydrophobicContact CG-CE2 4.08Å; F322-F447 HydrophobicContact CZ-CE2 4.03Å; F322-F447 HydrophobicContact CZ-CZ 4.44Å; F322-S450 PolarHBondContact N-O 2.81Å; F322-S450 VanDerWaalsContact N-O 3.08Å; F322-L451 HydrophobicContact CB-CD2 3.72Å; F322-L451 HydrophobicContact CD1-CD2 3.56Å; F322-L451 HydrophobicContact CE1-CD2 4.33Å; F322-L451 HydrophobicContact CG-CD2 3.67Å
323D98.6Very high98.1Very high0 Ų035.2 Ų35.20%019%0.189CC..Hα-helixtrans-66.8-35.5177-66.7-36.2000112.7P173 I174 S320 W325 L326 R327 R403P173-D323 VanDerWaalsContact CA-OD1 3.22Å; P173-D323 WeakPolarHBondContact CA-OD1 3.36Å; P173-D323 HydrophobicContact CB-CB 4.05Å; I174-D323 PolarHBondContact N-OD1 3.18Å; S320-D323 PolarHBondContact O-N 2.96Å; S320-D323 WeakPolarHBondContact OG-CB 3.46Å; S320-D323 PolarHBondContact OG-N 3.2Å; S320-D323 PolarHBondContact OG-OD2 3.03Å; D323-W325 VanDerWaalsContact C-N 3.34Å; D323-L326 PolarHBondContact O-N 2.93Å; D323-R327 VanDerWaalsContact O-CG 3.28Å; D323-R327 WeakPolarHBondContact O-CG 3.24Å; D323-R327 PolarHBondContact O-N 3.45Å; D323-R327 VanDerWaalsContact O-N 3.15Å; D323-R403 IonicContact OD1-CZ 2.68Å; D323-R403 IonicContact OD1-NH1 2.58Å; D323-R403 PolarHBondContact OD1-NH1 3.18Å; D323-R403 IonicContact OD1-NH2 3.97Å; D323-R403 PolarHBondContact OD1-NH2 3.24Å; D323-R403 IonicContact OD2-CZ 3.29Å; D323-R403 IonicContact OD2-NH1 3.82Å; D323-R403 PolarHBondContact OD2-NH1 3.24Å
324K98.6Very high98.2Very high88 Ų8836.3 Ų36.338%0.38320%0.2SC..Hα-helixtrans-64.9-42.1174-67.8176.2-177174.30110.8D319 S320 P321 F322 R327 G328 D329 A332D319-K324 WeakPolarHBondContact O-CE 3.35Å; S320-K324 PolarHBondContact O-N 3.23Å; P321-K324 PolarHBondContact O-N 3.21Å; F322-K324 VanDerWaalsContact C-N 3.33Å; F322-K324 PolarHBondContact O-N 2.88Å; K324-R327 CarbonylContact O-C 3.51Å; K324-R327 WeakPolarHBondContact O-CA 3.18Å; K324-R327 WeakPolarHBondContact O-CB 3.3Å; K324-R327 PolarHBondContact O-N 3.19Å; K324-R327 VanDerWaalsContact O-N 3.12Å; K324-G328 PolarHBondContact O-N 3Å; K324-D329 HydrophobicContact CB-CB 4.14Å; K324-D329 WeakPolarHBondContact O-CB 3.43Å; K324-D329 PolarHBondContact O-N 3.12Å; K324-A332 HydrophobicContact CB-CB 3.63Å
325W98.6Very high98.2Very high21 Ų2138.6 Ų38.68%0.0822%0.223CC..Hα-helixtrans-62.1-45174.1178.174.3000112.7H166 P321 F322 D323 R327 G328 D329 E330 A332 L333 Y341H166-W325 PolarHBondContact CD2-O 2.99Å; H166-W325 AromaticContact CE1-CE2 3.55Å; H166-W325 AromaticContact CE1-CH2 3.42Å; H166-W325 VanDerWaalsContact CE1-CH2 3.42Å; H166-W325 WeakPolarHBondContact CE1-CH2 2.97Å; H166-W325 AromaticContact CE1-CZ2 3.1Å; H166-W325 WeakPolarHBondContact CE1-CZ2 3.36Å; H166-W325 AromaticContact ND1-CH2 3.49Å; H166-W325 WeakPolarHBondContact ND1-CH2 3.34Å; H166-W325 AromaticContact ND1-CZ2 3.7Å; H166-W325 AromaticContact NE2-CE2 3.62Å; H166-W325 AromaticContact NE2-CZ2 3.68Å; H166-W325 AromaticContact NE2-NE1 3.86Å; H166-W325 PolarHBondContact NE2-O 3.16Å; P321-W325 PolarHBondContact O-N 2.94Å; F322-W325 HydrophobicContact CD2-CE3 4.01Å; F322-W325 AromaticContact CE2-CE3 3.6Å; F322-W325 HydrophobicContact CE2-CE3 3.6Å; F322-W325 AromaticContact CE2-CZ3 3.69Å; F322-W325 HydrophobicContact CE2-CZ3 3.69Å; F322-W325 HydrophobicContact CZ-CE3 4.24Å; F322-W325 HydrophobicContact CZ-CZ3 4.09Å; F322-W325 PolarHBondContact O-N 3.28Å; D323-W325 VanDerWaalsContact C-N 3.34Å; W325-R327 PolarHBondContact O-N 3.2Å; W325-R327 VanDerWaalsContact O-N 3.14Å; W325-G328 PolarHBondContact O-N 3.24Å; W325-D329 WeakPolarHBondContact CA-O 3.39Å; W325-E330 PolarHBondContact NE1-OE1 2.98Å; W325-E330 VanDerWaalsContact NE1-OE1 3.12Å; W325-E330 PolarHBondContact NE1-OE2 3.32Å; W325-A332 HydrophobicContact CB-CB 4.27Å; W325-L333 HydrophobicContact CB-CD1 3.81Å; W325-L333 HydrophobicContact CB-CG 3.73Å; W325-L333 HydrophobicContact CD2-CD1 3.68Å; W325-L333 HydrophobicContact CE3-CD1 4.03Å; W325-L333 HydrophobicContact CG-CD1 3.56Å; W325-L333 HydrophobicContact CG-CG 3.89Å; W325-Y341 HydrophobicContact CH2-CD1 4.17Å; W325-Y341 HydrophobicContact CH2-CE1 4.07Å; W325-Y341 HydrophobicContact CZ3-CD1 4.14Å; W325-Y341 AromaticContact CZ3-CE1 3.94Å; W325-Y341 HydrophobicContact CZ3-CE1 3.94Å
326L98.5Very high98.2Very high0 Ų042.9 Ų42.90%024%0.242CC..Hα-helixtrans-59.3-25.9173.7-71.4175.9000113.1T162 A163 H166 V171 P173 F322 D323 G328T162-L326 WeakPolarHBondContact CG2-O 3.49Å; A163-L326 PolarHBondContact N-O 3.3Å; H166-L326 HydrophobicContact CB-CD2 4.04Å; V171-L326 HydrophobicContact CG1-CD1 4.3Å; P173-L326 HydrophobicContact CB-CB 4.31Å; P173-L326 HydrophobicContact CB-CD1 4.22Å; P173-L326 HydrophobicContact CG-CB 4.48Å; F322-L326 HydrophobicContact CD1-CD1 3.84Å; F322-L326 HydrophobicContact CD1-CG 4.23Å; F322-L326 HydrophobicContact CE1-CD1 3.56Å; F322-L326 HydrophobicContact CE1-CD2 4.22Å; F322-L326 HydrophobicContact CE1-CG 3.93Å; F322-L326 HydrophobicContact CZ-CD1 4.26Å; F322-L326 HydrophobicContact CZ-CD2 4.08Å; F322-L326 HydrophobicContact CZ-CG 4.18Å; F322-L326 WeakPolarHBondContact O-CG 3.29Å; F322-L326 PolarHBondContact O-N 3.03Å; D323-L326 PolarHBondContact O-N 2.93Å; L326-G328 VanDerWaalsContact C-N 3.34Å
327R98.1Very high98.3Very high55 Ų5543.6 Ų43.621%0.20825%0.246CC..THydrogen-bonded Turntrans-87.74.4174.1-66.7-176.9177.397.25.7114.1D161 P173 I174 Q176 D323 K324 W325D161-R327 WeakPolarHBondContact O-CG 3.33Å; D161-R327 IonicContact OD2-CZ 3.47Å; D161-R327 VanDerWaalsContact OD2-CZ 3.24Å; D161-R327 IonicContact OD2-NE 3.59Å; D161-R327 PolarHBondContact OD2-NE 3.29Å; D161-R327 IonicContact OD2-NH2 3.32Å; D161-R327 PolarHBondContact OD2-NH2 3.47Å; P173-R327 HydrophobicContact CG-CG 4.47Å; I174-R327 PolarHBondContact O-NH2 3.42Å; Q176-R327 VanDerWaalsContact NE2-CZ 3.27Å; D323-R327 VanDerWaalsContact O-CG 3.28Å; D323-R327 WeakPolarHBondContact O-CG 3.24Å; D323-R327 PolarHBondContact O-N 3.45Å; D323-R327 VanDerWaalsContact O-N 3.15Å; K324-R327 CarbonylContact O-C 3.51Å; K324-R327 WeakPolarHBondContact O-CA 3.18Å; K324-R327 WeakPolarHBondContact O-CB 3.3Å; K324-R327 PolarHBondContact O-N 3.19Å; K324-R327 VanDerWaalsContact O-N 3.12Å; W325-R327 PolarHBondContact O-N 3.2Å; W325-R327 VanDerWaalsContact O-N 3.14Å
328G97.8Very high98.3Very high32 Ų3246.9 Ų46.933%0.3326%0.26SS..THydrogen-bonded Turntrans99.36.2174.300000115.1K324 W325 L326 E330K324-G328 PolarHBondContact O-N 3Å; W325-G328 PolarHBondContact O-N 3.24Å; L326-G328 VanDerWaalsContact C-N 3.34Å; G328-E330 VanDerWaalsContact C-N 3.34Å; G328-E330 PolarHBondContact O-N 3.24Å
329D98.3Very high98.4Very high72 Ų7250.6 Ų50.639%0.38528%0.275SS..  trans-78.286.5169.1-174.7-0.8000110.2K324 W325 N331 A332K324-D329 HydrophobicContact CB-CB 4.14Å; K324-D329 WeakPolarHBondContact O-CB 3.43Å; K324-D329 PolarHBondContact O-N 3.12Å; W325-D329 WeakPolarHBondContact CA-O 3.39Å; D329-N331 PolarHBondContact O-N 3.24Å; D329-N331 PolarHBondContact OD1-N 2.81Å; D329-N331 VanDerWaalsContact OD1-N 3.14Å; D329-A332 HydrophobicContact CB-CB 4.02Å; D329-A332 VanDerWaalsContact O-CB 3.31Å; D329-A332 WeakPolarHBondContact O-CB 3.42Å; D329-A332 PolarHBondContact O-N 3.38Å; D329-A332 PolarHBondContact OD1-N 3.44Å
330E96.2Very high98.4Very high73 Ų7348 Ų4834%0.34126%0.261SS..THydrogen-bonded Turntrans-61.7-15.8-179-76.5-56.4136.200114.4H166 W325 G328 K338H166-E330 IonicContact CE1-OE1 3.28Å; H166-E330 IonicContact NE2-OE1 2.68Å; H166-E330 PolarHBondContact NE2-OE1 2.92Å; H166-E330 VanDerWaalsContact NE2-OE1 3.12Å; W325-E330 PolarHBondContact NE1-OE1 2.98Å; W325-E330 VanDerWaalsContact NE1-OE1 3.12Å; W325-E330 PolarHBondContact NE1-OE2 3.32Å; G328-E330 VanDerWaalsContact C-N 3.34Å; G328-E330 PolarHBondContact O-N 3.24Å; E330-K338 WeakPolarHBondContact O-CE 3.31Å; E330-K338 PolarHBondContact O-NZ 2.93Å; E330-K338 IonicContact OE2-NZ 3.99Å; E330-K338 PolarHBondContact OE2-NZ 3.13Å
331N97.8Very high98.4Very high151 Ų15148.3 Ų48.381%0.80726%0.262SS*.THydrogen-bonded Turntrans-95.1-4.3177.8-61.8-49.6000113.1D329 L333D329-N331 PolarHBondContact O-N 3.24Å; D329-N331 PolarHBondContact OD1-N 2.81Å; D329-N331 VanDerWaalsContact OD1-N 3.14Å; N331-L333 VanDerWaalsContact C-N 3.27Å; N331-L333 PolarHBondContact O-N 3.48Å
332A98.5Very high98.4Very high23 Ų2350.2 Ų50.219%0.1927%0.267CS..SBendtrans-68.7-25.3-179.300000113.2P321 K324 W325 D329P321-A332 WeakPolarHBondContact CB-O 3.49Å; P321-A332 VanDerWaalsContact O-CB 3.26Å; P321-A332 WeakPolarHBondContact O-CB 3.1Å; K324-A332 HydrophobicContact CB-CB 3.63Å; W325-A332 HydrophobicContact CB-CB 4.27Å; D329-A332 HydrophobicContact CB-CB 4.02Å; D329-A332 VanDerWaalsContact O-CB 3.31Å; D329-A332 WeakPolarHBondContact O-CB 3.42Å; D329-A332 PolarHBondContact O-N 3.38Å; D329-A332 PolarHBondContact OD1-N 3.44Å
333L98.6Very high98.4Very high11 Ų1151.1 Ų51.16%0.05827%0.272CS..SBendtrans-109.1140176.5-64.2-178.3000112P321 F322 W325 N331 Q337 K338 S450P321-L333 HydrophobicContact CB-CD2 4.01Å; F322-L333 HydrophobicContact CB-CD2 4.47Å; F322-L333 HydrophobicContact CD2-CD1 3.83Å; F322-L333 HydrophobicContact CE2-CD1 4.35Å; W325-L333 HydrophobicContact CB-CD1 3.81Å; W325-L333 HydrophobicContact CB-CG 3.73Å; W325-L333 HydrophobicContact CD2-CD1 3.68Å; W325-L333 HydrophobicContact CE3-CD1 4.03Å; W325-L333 HydrophobicContact CG-CD1 3.56Å; W325-L333 HydrophobicContact CG-CG 3.89Å; N331-L333 VanDerWaalsContact C-N 3.27Å; N331-L333 PolarHBondContact O-N 3.48Å; L333-Q337 HydrophobicContact CB-CB 4.2Å; L333-Q337 HydrophobicContact CD2-CB 4.18Å; L333-K338 HydrophobicContact CB-CG 3.83Å; L333-K338 HydrophobicContact CD1-CG 4.17Å; L333-S450 WeakPolarHBondContact CD2-OG 3.33Å
334T98.7Very high98.4Very high74 Ų7451.3 Ų51.345%0.45427%0.273SS..  trans-70160.9167.8730000111.1Q336 Q337 K338T334-Q336 PolarHBondContact O-N 2.63Å; T334-Q337 PolarHBondContact O-N 2.77Å; T334-Q337 VanDerWaalsContact O-N 3.12Å; T334-Q337 WeakPolarHBondContact OG1-CG 3.46Å; T334-Q337 PolarHBondContact OG1-N 3.29Å; T334-Q337 PolarHBondContact OG1-OE1 3.06Å; T334-K338 PolarHBondContact O-N 2.91Å
335A98.6Very high98.4Very high86 Ų8649 Ų4971%0.71126%0.262SS*.Hα-helixtrans-56.9-37.6174.400000112.3K338 K339A335-K338 PolarHBondContact O-N 3.4Å; A335-K339 PolarHBondContact O-N 3.1Å
336Q98.8Very high98.4Very high90 Ų9050.1 Ų50.142%0.42127%0.27SS..Hα-helixtrans-61.6-45.5176.1-162.3-172.111.500111.7T334 K339 G340 D443 A446T334-Q336 PolarHBondContact O-N 2.63Å; Q336-K339 PolarHBondContact O-N 2.71Å; Q336-G340 PolarHBondContact O-N 2.96Å; Q336-D443 HydrophobicContact CG-CB 4.4Å; Q336-D443 WeakPolarHBondContact CG-OD1 3.47Å; Q336-D443 PolarHBondContact NE2-OD1 3.29Å; Q336-A446 HydrophobicContact CG-CB 4.09Å
337Q98.9Very high98.4Very high28 Ų2850.4 Ų50.413%0.13127%0.272CS..Hα-helixtrans-66.2-38.7178.7-71.1170.4-31.400112.2L333 T334 G340 Y341 A446 S450L333-Q337 HydrophobicContact CB-CB 4.2Å; L333-Q337 HydrophobicContact CD2-CB 4.18Å; T334-Q337 PolarHBondContact O-N 2.77Å; T334-Q337 VanDerWaalsContact O-N 3.12Å; T334-Q337 WeakPolarHBondContact OG1-CG 3.46Å; T334-Q337 PolarHBondContact OG1-N 3.29Å; T334-Q337 PolarHBondContact OG1-OE1 3.06Å; Q337-G340 PolarHBondContact O-N 3.35Å; Q337-Y341 PolarHBondContact O-N 3.11Å; Q337-A446 HydrophobicContact CG-CB 4.23Å; Q337-A446 WeakPolarHBondContact CG-O 3.42Å; Q337-A446 PolarHBondContact NE2-O 3.05Å; Q337-S450 VanDerWaalsContact NE2-CB 3.35Å
338K98.7Very high98.4Very high71 Ų7150.2 Ų50.231%0.30927%0.272SS..Hα-helixtrans-63.1-44.1173.6-67.1-172.8-175.2-171.40111.2E330 L333 T334 A335 Y341 Q342E330-K338 WeakPolarHBondContact O-CE 3.31Å; E330-K338 PolarHBondContact O-NZ 2.93Å; E330-K338 IonicContact OE2-NZ 3.99Å; E330-K338 PolarHBondContact OE2-NZ 3.13Å; L333-K338 HydrophobicContact CB-CG 3.83Å; L333-K338 HydrophobicContact CD1-CG 4.17Å; T334-K338 PolarHBondContact O-N 2.91Å; A335-K338 PolarHBondContact O-N 3.4Å; K338-Y341 PolarHBondContact O-N 3.44Å; K338-Q342 PolarHBondContact O-N 3.11Å; K338-Q342 VanDerWaalsContact O-N 3.07Å
339K98.8Very high98.4Very high90 Ų9050 Ų5039%0.39127%0.266SS..Hα-helixtrans-60.8-44.7173.5-177.1173.8173.4-126.50111.4A335 Q336 Y341 Q342 L343 D440 D443A335-K339 PolarHBondContact O-N 3.1Å; Q336-K339 PolarHBondContact O-N 2.71Å; K339-Y341 VanDerWaalsContact C-N 3.34Å; K339-Y341 PolarHBondContact O-N 3.22Å; K339-Q342 PolarHBondContact O-N 2.99Å; K339-L343 HydrophobicContact CG-CD1 4.16Å; K339-L343 WeakPolarHBondContact O-CG 3.49Å; K339-L343 PolarHBondContact O-N 3.02Å; K339-D440 IonicContact NZ-OD1 2.85Å; K339-D440 PolarHBondContact NZ-OD1 2.78Å; K339-D443 WeakPolarHBondContact CD-OD2 3.26Å; K339-D443 VanDerWaalsContact CE-OD2 3.26Å; K339-D443 WeakPolarHBondContact CE-OD2 3.41Å; K339-D443 IonicContact NZ-OD2 2.83Å; K339-D443 PolarHBondContact NZ-OD2 2.79Å
340G98.9Very high98.4Very high0 Ų046.9 Ų46.90%025%0.25CS..Hα-helixtrans-57.5-42.2175.500000113.8Q336 Q337 L343 F344 D443Q336-G340 PolarHBondContact O-N 2.96Å; Q337-G340 PolarHBondContact O-N 3.35Å; G340-L343 PolarHBondContact O-N 3.22Å; G340-F344 WeakPolarHBondContact O-CB 3.36Å; G340-F344 PolarHBondContact O-N 2.83Å; G340-D443 VanDerWaalsContact CA-C 3.42Å; G340-D443 WeakPolarHBondContact CA-O 3.25Å
341Y98.8Very high98.4Very high6 Ų644.3 Ų44.32%0.02424%0.239CC..Hα-helixtrans-66.7-39.4175.8-177.3-129000112.3E169 F322 W325 Q337 K338 K339 F344 K345 F447E169-Y341 VanDerWaalsContact OE2-CE1 3.24Å; E169-Y341 WeakPolarHBondContact OE2-CE1 3.33Å; E169-Y341 VanDerWaalsContact OE2-CZ 3.26Å; E169-Y341 PolarHBondContact OE2-OH 3.41Å; F322-Y341 AromaticContact CE2-CD1 3.94Å; F322-Y341 HydrophobicContact CE2-CD1 3.94Å; F322-Y341 HydrophobicContact CE2-CD2 4.03Å; F322-Y341 HydrophobicContact CE2-CE1 4.07Å; F322-Y341 HydrophobicContact CE2-CE2 4.15Å; F322-Y341 AromaticContact CE2-CG 3.92Å; F322-Y341 HydrophobicContact CE2-CG 3.92Å; F322-Y341 HydrophobicContact CZ-CD1 4.28Å; F322-Y341 HydrophobicContact CZ-CD2 4.05Å; F322-Y341 AromaticContact CZ-CE1 3.97Å; F322-Y341 HydrophobicContact CZ-CE1 3.97Å; F322-Y341 AromaticContact CZ-CE2 3.71Å; F322-Y341 HydrophobicContact CZ-CE2 3.71Å; F322-Y341 HydrophobicContact CZ-CG 4.32Å; F322-Y341 AromaticContact CZ-CZ 3.68Å; W325-Y341 HydrophobicContact CH2-CD1 4.17Å; W325-Y341 HydrophobicContact CH2-CE1 4.07Å; W325-Y341 HydrophobicContact CZ3-CD1 4.14Å; W325-Y341 AromaticContact CZ3-CE1 3.94Å; W325-Y341 HydrophobicContact CZ3-CE1 3.94Å; Q337-Y341 PolarHBondContact O-N 3.11Å; K338-Y341 PolarHBondContact O-N 3.44Å; K339-Y341 VanDerWaalsContact C-N 3.34Å; K339-Y341 PolarHBondContact O-N 3.22Å; Y341-F344 HydrophobicContact CD2-CD1 4.35Å; Y341-F344 HydrophobicContact CE2-CD1 4.34Å; Y341-F344 WeakPolarHBondContact O-CB 3.31Å; Y341-F344 PolarHBondContact O-N 2.82Å; Y341-K345 HydrophobicContact CE1-CD 4.07Å; Y341-K345 HydrophobicContact CE2-CD 4.37Å; Y341-K345 HydrophobicContact CE2-CG 4.18Å; Y341-K345 PolarHBondContact O-N 3.07Å; Y341-F447 HydrophobicContact CD2-CD1 4.49Å; Y341-F447 HydrophobicContact CD2-CD2 4.09Å; Y341-F447 AromaticContact CD2-CE1 3.91Å; Y341-F447 HydrophobicContact CD2-CE1 3.91Å; Y341-F447 AromaticContact CD2-CE2 3.46Å; Y341-F447 HydrophobicContact CD2-CE2 3.46Å; Y341-F447 VanDerWaalsContact CD2-CE2 3.46Å; Y341-F447 AromaticContact CD2-CZ 3.35Å; Y341-F447 HydrophobicContact CD2-CZ 3.35Å; Y341-F447 HydrophobicContact CE2-CE2 4.28Å; Y341-F447 AromaticContact CE2-CZ 3.96Å; Y341-F447 HydrophobicContact CE2-CZ 3.96Å; Y341-F447 HydrophobicContact CG-CD2 4.21Å; Y341-F447 AromaticContact CG-CE2 3.91Å; Y341-F447 HydrophobicContact CG-CE2 3.91Å; Y341-F447 HydrophobicContact CG-CZ 4.25Å
342Q98.6Very high98.4Very high83 Ų8338.4 Ų38.439%0.38821%0.209SC..Hα-helixtrans-62.7-47.2174.4-173.156.347.800111.1K338 K339 F344 K345 D346K338-Q342 PolarHBondContact O-N 3.11Å; K338-Q342 VanDerWaalsContact O-N 3.07Å; K339-Q342 PolarHBondContact O-N 2.99Å; Q342-F344 VanDerWaalsContact C-N 3.25Å; Q342-F344 PolarHBondContact O-N 2.67Å; Q342-K345 PolarHBondContact O-N 3.46Å; Q342-K345 VanDerWaalsContact O-N 3.07Å; Q342-D346 PolarHBondContact NE2-OD1 3.28Å; Q342-D346 WeakPolarHBondContact O-CB 3.47Å; Q342-D346 PolarHBondContact O-N 3.15Å
343L98.8Very high98.4Very high19 Ų1938.8 Ų38.810%0.09921%0.207CC..Hα-helixtrans-59.1-36.9174.8-73.2168.1000112.3K339 G340 D346 N347 D440 D443 I444K339-L343 HydrophobicContact CG-CD1 4.16Å; K339-L343 WeakPolarHBondContact O-CG 3.49Å; K339-L343 PolarHBondContact O-N 3.02Å; G340-L343 PolarHBondContact O-N 3.22Å; L343-D346 PolarHBondContact O-N 2.94Å; L343-N347 VanDerWaalsContact O-CB 3.28Å; L343-N347 WeakPolarHBondContact O-CB 3.45Å; L343-N347 PolarHBondContact O-N 3.48Å; L343-N347 PolarHBondContact O-ND2 2.9Å; L343-D440 HydrophobicContact CD1-CB 3.73Å; L343-D440 HydrophobicContact CD2-CB 4.4Å; L343-D443 HydrophobicContact CD1-CB 3.89Å; L343-I444 HydrophobicContact CB-CD1 4.07Å; L343-I444 HydrophobicContact CB-CG1 3.75Å; L343-I444 HydrophobicContact CD1-CG1 4.43Å
344F98.8Very high98.3Very high5 Ų538.3 Ų38.32%0.02221%0.205CC..Hα-helixtrans-61.5-42.2174.8-179.7-86.8000112G340 Y341 Q342 C349 A350 H353 L358 L402 F447 L448G340-F344 WeakPolarHBondContact O-CB 3.36Å; G340-F344 PolarHBondContact O-N 2.83Å; Y341-F344 HydrophobicContact CD2-CD1 4.35Å; Y341-F344 HydrophobicContact CE2-CD1 4.34Å; Y341-F344 WeakPolarHBondContact O-CB 3.31Å; Y341-F344 PolarHBondContact O-N 2.82Å; Q342-F344 VanDerWaalsContact C-N 3.25Å; Q342-F344 PolarHBondContact O-N 2.67Å; F344-C349 HydrophobicContact CB-CB 4.44Å; F344-C349 HydrophobicContact CD1-CB 3.73Å; F344-C349 HydrophobicContact CD2-CB 3.27Å; F344-C349 HydrophobicContact CE1-CB 3.7Å; F344-C349 HydrophobicContact CE2-CB 3.25Å; F344-C349 HydrophobicContact CG-CB 3.53Å; F344-C349 HydrophobicContact CZ-CB 3.48Å; F344-C349 VanDerWaalsContact CZ-CB 3.48Å; F344-C349 WeakPolarHBondContact O-CB 3.05Å; F344-C349 PolarHBondContact O-N 2.99Å; F344-C349 PolarHBondContact O-SG 3.29Å; F344-C349 VanDerWaalsContact O-SG 3.42Å; F344-A350 HydrophobicContact CD1-CB 4.11Å; F344-A350 HydrophobicContact CE1-CB 3.85Å; F344-H353 HydrophobicContact CE1-CB 4.27Å; F344-H353 HydrophobicContact CE2-CB 4.44Å; F344-H353 HydrophobicContact CZ-CB 3.53Å; F344-L358 HydrophobicContact CE1-CD2 4.46Å; F344-L358 HydrophobicContact CZ-CD2 4.32Å; F344-L402 HydrophobicContact CE2-CD1 3.57Å; F344-L402 HydrophobicContact CZ-CD1 3.67Å; F344-F447 HydrophobicContact CB-CD1 4.11Å; F344-F447 HydrophobicContact CB-CE1 4.09Å; F344-F447 HydrophobicContact CD1-CE1 4.09Å; F344-F447 HydrophobicContact CD2-CD1 4.08Å; F344-F447 AromaticContact CD2-CE1 3.7Å; F344-F447 HydrophobicContact CD2-CE1 3.7Å; F344-F447 HydrophobicContact CE1-CE1 4.4Å; F344-F447 HydrophobicContact CE2-CE1 4.03Å; F344-F447 HydrophobicContact CG-CD1 4.16Å; F344-F447 AromaticContact CG-CE1 3.71Å; F344-F447 HydrophobicContact CG-CE1 3.71Å; F344-F447 HydrophobicContact CZ-CE1 4.35Å; F344-L448 HydrophobicContact CE2-CD2 4.3Å
345K98.4Very high98.2Very high38 Ų3834.8 Ų34.817%0.16518%0.183CC..Hα-helixtrans-68.6-48.7173.5-68.2-169.4-72.2-176.30111.7W116 E169 P170 Y341 Q342 N347 K348 A350W116-K345 PolarHBondContact NE1-O 3.42Å; E169-K345 VanDerWaalsContact CD-NZ 3.31Å; E169-K345 IonicContact OE1-NZ 3.59Å; E169-K345 PolarHBondContact OE1-NZ 2.91Å; E169-K345 WeakPolarHBondContact OE2-CD 3.46Å; E169-K345 IonicContact OE2-NZ 3.74Å; E169-K345 PolarHBondContact OE2-NZ 2.9Å; P170-K345 HydrophobicContact CG-CD 4.43Å; Y341-K345 HydrophobicContact CE1-CD 4.07Å; Y341-K345 HydrophobicContact CE2-CD 4.37Å; Y341-K345 HydrophobicContact CE2-CG 4.18Å; Y341-K345 PolarHBondContact O-N 3.07Å; Q342-K345 PolarHBondContact O-N 3.46Å; Q342-K345 VanDerWaalsContact O-N 3.07Å; K345-N347 PolarHBondContact O-N 3.14Å; K345-N347 VanDerWaalsContact O-N 3.14Å; K345-K348 PolarHBondContact O-N 3.11Å; K345-K348 VanDerWaalsContact O-N 3.11Å; K345-A350 HydrophobicContact CG-CB 4.24Å
346D98.2Very high98.2Very high46 Ų4632.8 Ų32.825%0.24616%0.16CC..Hα-helixtrans-59-29.5-179.6-65.8-23.4000113W116 Y120 Q342 L343W116-D346 WeakPolarHBondContact CZ2-O 3.22Å; Y120-D346 WeakPolarHBondContact OH-CA 3.44Å; Y120-D346 PolarHBondContact OH-OD1 3.1Å; Q342-D346 PolarHBondContact NE2-OD1 3.28Å; Q342-D346 WeakPolarHBondContact O-CB 3.47Å; Q342-D346 PolarHBondContact O-N 3.15Å; L343-D346 PolarHBondContact O-N 2.94Å
347N98.1Very high98.1Very high5 Ų528.8 Ų28.83%0.02714%0.142CC..THydrogen-bonded Turntrans-103.228.2-178.7-65.7-72.8000113.4L343 K345 C349 L428 V432 K434L343-N347 VanDerWaalsContact O-CB 3.28Å; L343-N347 WeakPolarHBondContact O-CB 3.45Å; L343-N347 PolarHBondContact O-N 3.48Å; L343-N347 PolarHBondContact O-ND2 2.9Å; K345-N347 PolarHBondContact O-N 3.14Å; K345-N347 VanDerWaalsContact O-N 3.14Å; N347-C349 PolarHBondContact O-N 3.12Å; N347-C349 VanDerWaalsContact O-N 3.1Å; N347-L428 HydrophobicContact CB-CD2 3.98Å; N347-V432 WeakPolarHBondContact O-CG2 3.38Å; N347-K434 VanDerWaalsContact OD1-CD 3.27Å; N347-K434 WeakPolarHBondContact OD1-CD 3.43Å; N347-K434 PolarHBondContact OD1-NZ 3.38Å
348K97.4Very high98.1Very high51 Ų5127.5 Ų27.522%0.22214%0.136CC..THydrogen-bonded Turntrans66.24.7170.7-54171.7173.8-71.30115.1W116 K345 A350 T351 V432W116-K348 HydrophobicContact CD2-CG 3.89Å; W116-K348 VanDerWaalsContact CE2-CG 3.41Å; W116-K348 HydrophobicContact CE3-CG 4.32Å; W116-K348 HydrophobicContact CH2-CD 4.38Å; W116-K348 VanDerWaalsContact CH2-CE 3.45Å; W116-K348 HydrophobicContact CH2-CG 4.03Å; W116-K348 HydrophobicContact CZ2-CD 4.28Å; W116-K348 HydrophobicContact CZ2-CG 3.47Å; W116-K348 VanDerWaalsContact CZ2-CG 3.47Å; W116-K348 HydrophobicContact CZ3-CG 4.43Å; K345-K348 PolarHBondContact O-N 3.11Å; K345-K348 VanDerWaalsContact O-N 3.11Å; K348-A350 VanDerWaalsContact C-N 3.26Å; K348-A350 PolarHBondContact O-N 3.43Å; K348-T351 HydrophobicContact CB-CG2 4.24Å; K348-T351 WeakPolarHBondContact O-CB 3.26Å; K348-T351 PolarHBondContact O-N 2.87Å; K348-T351 PolarHBondContact O-OG1 2.74Å; K348-V432 HydrophobicContact CD-CG1 4.24Å
349C98.3Very high98.1Very high29 Ų2924.1 Ų24.120%0.19612%0.121CC..G310 helixtrans-60.8-41.6-176.4-50.10000110.6F344 N347 T351 C352 H353F344-C349 HydrophobicContact CB-CB 4.44Å; F344-C349 HydrophobicContact CD1-CB 3.73Å; F344-C349 HydrophobicContact CD2-CB 3.27Å; F344-C349 HydrophobicContact CE1-CB 3.7Å; F344-C349 HydrophobicContact CE2-CB 3.25Å; F344-C349 HydrophobicContact CG-CB 3.53Å; F344-C349 HydrophobicContact CZ-CB 3.48Å; F344-C349 VanDerWaalsContact CZ-CB 3.48Å; F344-C349 WeakPolarHBondContact O-CB 3.05Å; F344-C349 PolarHBondContact O-N 2.99Å; F344-C349 PolarHBondContact O-SG 3.29Å; F344-C349 VanDerWaalsContact O-SG 3.42Å; N347-C349 PolarHBondContact O-N 3.12Å; N347-C349 VanDerWaalsContact O-N 3.1Å; C349-T351 PolarHBondContact O-N 3.06Å; C349-T351 VanDerWaalsContact O-N 3.13Å; C349-C352 PolarHBondContact O-N 3.02Å; C349-H353 WeakPolarHBondContact O-CB 3.45Å; C349-H353 PolarHBondContact O-N 2.99Å
350A97.9Very high98.1Very high6 Ų619.9 Ų19.95%0.0510%0.103CC..G310 helixtrans-64.2-14.317800000114.9N112 P170 F344 K345 K348 C352N112-A350 PolarHBondContact ND2-O 3.04Å; P170-A350 HydrophobicContact CB-CB 4.31Å; P170-A350 HydrophobicContact CG-CB 3.82Å; F344-A350 HydrophobicContact CD1-CB 4.11Å; F344-A350 HydrophobicContact CE1-CB 3.85Å; K345-A350 HydrophobicContact CG-CB 4.24Å; K348-A350 VanDerWaalsContact C-N 3.26Å; K348-A350 PolarHBondContact O-N 3.43Å; A350-C352 PolarHBondContact O-N 3.45Å
351T97.2Very high97.9Very high19 Ų1923.4 Ų23.412%0.11712%0.116CC..G310 helixtrans-69.8-26.1175.769.60000112.4W116 K348 C349W116-T351 HydrophobicContact CB-CG2 3.66Å; W116-T351 HydrophobicContact CG-CG2 3.81Å; K348-T351 HydrophobicContact CB-CG2 4.24Å; K348-T351 WeakPolarHBondContact O-CB 3.26Å; K348-T351 PolarHBondContact O-N 2.87Å; K348-T351 PolarHBondContact O-OG1 2.74Å; C349-T351 PolarHBondContact O-N 3.06Å; C349-T351 VanDerWaalsContact O-N 3.13Å
352C97.3Very high97.8Very high26 Ų2623.9 Ų23.918%0.17612%0.12CC..THydrogen-bonded Turntrans-110.5-39.3176.5-580000110.9C349 A350 G354 E364 V399C349-C352 PolarHBondContact O-N 3.02Å; A350-C352 PolarHBondContact O-N 3.45Å; C352-G354 PolarHBondContact O-N 3.42Å; C352-E364 HydrophobicContact CB-CG 4.25Å; C352-V399 HydrophobicContact CB-CG1 4.16Å; C352-V399 HydrophobicContact CB-CG2 4.01Å
353H98.3Very high97.7Very high31 Ų3121.3 Ų21.314%0.14411%0.108CC..SBendtrans-94.465.9-179.2-68.2-74.6000111.7F344 C349 L358 V399 P400 L402F344-H353 HydrophobicContact CE1-CB 4.27Å; F344-H353 HydrophobicContact CE2-CB 4.44Å; F344-H353 HydrophobicContact CZ-CB 3.53Å; C349-H353 WeakPolarHBondContact O-CB 3.45Å; C349-H353 PolarHBondContact O-N 2.99Å; H353-L358 VanDerWaalsContact CA-C 3.45Å; H353-L358 WeakPolarHBondContact CA-O 3.22Å; H353-L358 HydrophobicContact CB-CB 4.25Å; H353-L358 VanDerWaalsContact CB-O 3.23Å; H353-L358 WeakPolarHBondContact CB-O 3.47Å; H353-L358 PolarHBondContact ND1-O 2.74Å; H353-V399 WeakPolarHBondContact CE1-CG1 3.42Å; H353-V399 VanDerWaalsContact ND1-CG1 3.35Å; H353-V399 WeakPolarHBondContact ND1-CG1 3.36Å; H353-P400 PolarHBondContact CE1-O 3.45Å; H353-P400 VanDerWaalsContact CE1-O 3.26Å; H353-P400 PolarHBondContact ND1-O 2.87Å; H353-L402 HydrophobicContact CB-CD1 3.72Å; H353-L402 HydrophobicContact CB-CG 4.39Å; H353-L402 VanDerWaalsContact CG-CD1 3.47Å; H353-L402 WeakPolarHBondContact ND1-CD1 3.33Å; H353-L402 VanDerWaalsContact ND1-CG 3.33Å; H353-L402 WeakPolarHBondContact ND1-CG 3.41Å
354G97Very high97.7Very high1 Ų121.5 Ų21.51%0.0111%0.108CC..  trans-112.3179.5176.100000113.7P170 C352 L358 G359P170-G354 CarbonylContact O-C 3.55Å; P170-G354 VanDerWaalsContact O-CA 3.27Å; P170-G354 WeakPolarHBondContact O-CA 3.45Å; C352-G354 PolarHBondContact O-N 3.42Å; G354-L358 CarbonylContact O-C 3.53Å; G354-L358 WeakPolarHBondContact O-CA 3.33Å; G354-L358 PolarHBondContact O-N 3.24Å; G354-G359 PolarHBondContact O-N 3.41Å
355G96.8Very high97.5Very high0 Ų021.6 Ų21.60%011%0.11CC..THydrogen-bonded Turntrans71-167.6179.100000114.3P170 V171 I357 L358P170-G355 PolarHBondContact O-N 2.73Å; V171-G355 WeakPolarHBondContact CG1-O 3.15Å; G355-I357 VanDerWaalsContact C-N 3.29Å; G355-I357 PolarHBondContact O-N 3.01Å; G355-L358 PolarHBondContact O-N 2.95Å
356I97.8Very high97.2Very high44 Ų4421 Ų2123%0.22611%0.108CC..THydrogen-bonded Turntrans-54.5-42.8-169.3-64.6171000112.7Q172 I174 F242 R403Q172-I356 HydrophobicContact CB-CG1 4.32Å; Q172-I356 WeakPolarHBondContact O-CA 3.09Å; I174-I356 HydrophobicContact CB-CG2 4.39Å; I174-I356 HydrophobicContact CG1-CG2 3.94Å; F242-I356 HydrophobicContact CD1-CD1 3.89Å; F242-I356 HydrophobicContact CD1-CG2 4.2Å; F242-I356 HydrophobicContact CD2-CG2 4.06Å; F242-I356 HydrophobicContact CE1-CD1 4.06Å; F242-I356 HydrophobicContact CE1-CG2 4.29Å; F242-I356 HydrophobicContact CE2-CG2 4.14Å; F242-I356 HydrophobicContact CG-CB 4.48Å; F242-I356 HydrophobicContact CG-CG2 4.09Å; F242-I356 HydrophobicContact CZ-CG2 4.26Å; I356-R403 PolarHBondContact O-NE 2.94Å; I356-R403 PolarHBondContact O-NH2 2.84Å; I356-R403 VanDerWaalsContact O-NH2 3.1Å
357I98.1Very high97Very high7 Ų718.9 Ų18.94%0.03610%0.097CC..THydrogen-bonded Turntrans-104.510.2-175.866.5169.7000114.3N239 F242 N243 G355 G359 G401 L402 R403N239-I357 HydrophobicContact CB-CG2 3.55Å; F242-I357 HydrophobicContact CB-CD1 4.28Å; F242-I357 HydrophobicContact CB-CG1 4.4Å; F242-I357 HydrophobicContact CB-CG2 3.73Å; F242-I357 HydrophobicContact CD2-CG2 3.55Å; F242-I357 HydrophobicContact CG-CG2 3.99Å; N243-I357 WeakPolarHBondContact OD1-CD1 3.32Å; G355-I357 VanDerWaalsContact C-N 3.29Å; G355-I357 PolarHBondContact O-N 3.01Å; I357-G359 WeakPolarHBondContact CG1-O 3.42Å; I357-G359 PolarHBondContact O-N 3.1Å; I357-G401 CarbonylContact O-C 3.54Å; I357-G401 WeakPolarHBondContact O-CA 3.48Å; I357-L402 PolarHBondContact O-N 3.38Å; I357-R403 HydrophobicContact CB-CG 4.07Å; I357-R403 HydrophobicContact CG2-CG 4.36Å
358L98.5Very high96.7Very high0 Ų020.2 Ų20.20%010%0.104CC..THydrogen-bonded Turntrans51.752.7-175.1-63.587000111.7V171 F344 H353 G354 G355 L402 R403 F447 L451V171-L358 HydrophobicContact CB-CG 4.4Å; V171-L358 HydrophobicContact CG1-CD1 3.54Å; V171-L358 HydrophobicContact CG1-CD2 4.22Å; V171-L358 HydrophobicContact CG1-CG 3.63Å; V171-L358 HydrophobicContact CG2-CD2 4Å; V171-L358 HydrophobicContact CG2-CG 3.79Å; F344-L358 HydrophobicContact CE1-CD2 4.46Å; F344-L358 HydrophobicContact CZ-CD2 4.32Å; H353-L358 VanDerWaalsContact CA-C 3.45Å; H353-L358 WeakPolarHBondContact CA-O 3.22Å; H353-L358 HydrophobicContact CB-CB 4.25Å; H353-L358 VanDerWaalsContact CB-O 3.23Å; H353-L358 WeakPolarHBondContact CB-O 3.47Å; H353-L358 PolarHBondContact ND1-O 2.74Å; G354-L358 CarbonylContact O-C 3.53Å; G354-L358 WeakPolarHBondContact O-CA 3.33Å; G354-L358 PolarHBondContact O-N 3.24Å; G355-L358 PolarHBondContact O-N 2.95Å; L358-L402 HydrophobicContact CB-CB 3.95Å; L358-L402 HydrophobicContact CB-CD1 4.3Å; L358-L402 HydrophobicContact CB-CG 4.28Å; L358-L402 PolarHBondContact O-N 3.14Å; L358-R403 HydrophobicContact CD1-CG 4.27Å; L358-R403 VanDerWaalsContact CD1-CZ 3.47Å; L358-F447 HydrophobicContact CD2-CE1 4.44Å; L358-F447 HydrophobicContact CD2-CZ 3.9Å; L358-L451 HydrophobicContact CD1-CD2 4.16Å; L358-L451 HydrophobicContact CD2-CD1 3.94Å; L358-L451 HydrophobicContact CD2-CD2 4.15Å
359G98.2Very high96.6Very high1 Ų122 Ų221%0.0111%0.111CC..SBendtrans146.6-167.4-173.700000112G354 I357 R361G354-G359 PolarHBondContact O-N 3.41Å; I357-G359 WeakPolarHBondContact CG1-O 3.42Å; I357-G359 PolarHBondContact O-N 3.1Å; G359-R361 VanDerWaalsContact C-N 3.28Å; G359-R361 WeakPolarHBondContact O-CG 3.44Å; G359-R361 PolarHBondContact O-N 3.26Å
360G97.8Very high96.3Very high0 Ų025.7 Ų25.70%012%0.124CC..SBendtrans73.211175.400000115.6N243 V244 V399N243-G360 WeakPolarHBondContact CA-O 3.45Å; N243-G360 WeakPolarHBondContact OD1-CA 3.5Å; V244-G360 WeakPolarHBondContact CG1-O 3.33Å; V244-G360 PolarHBondContact N-O 3.36Å; G360-V399 VanDerWaalsContact CA-O 3.29Å; G360-V399 WeakPolarHBondContact CA-O 3.47Å; G360-V399 PolarHBondContact N-O 3.12Å
361R95.6Very high96Very high74 Ų7432 Ų3228%0.27916%0.157SC..SBendtrans-122.7-10-170.4-61.9177.773.4127.43.3114.8Q108 G359Q108-R361 VanDerWaalsContact CD-NH1 3.34Å; G359-R361 VanDerWaalsContact C-N 3.28Å; G359-R361 WeakPolarHBondContact O-CG 3.44Å; G359-R361 PolarHBondContact O-N 3.26Å
362S96.6Very high95.8Very high16 Ų1632.7 Ų32.711%0.11216%0.159CC..  trans-143.4160.8-179.764.80000110.8E364 K398 V399S362-E364 PolarHBondContact OG-OE1 3.05Å; S362-K398 WeakPolarHBondContact O-CA 3.35Å; S362-V399 PolarHBondContact O-N 3.44Å; S362-V399 WeakPolarHBondContact OG-CG2 3.32Å
363F97.6Very high95.5Very high29 Ų2937.3 Ų37.313%0.12718%0.182CC..EExtended strand (participates in β ladder)trans-110.2120172.6-65.7-92.9000108.6V244 E245 R384 R396 Q397 K398V244-F363 HydrophobicContact CG1-CE2 4.43Å; E245-F363 HydrophobicContact CB-CZ 4.29Å; E245-F363 WeakPolarHBondContact OE2-CE2 3.43Å; E245-F363 WeakPolarHBondContact OE2-CZ 3.33Å; F363-R384 HydrophobicContact CB-CB 4.4Å; F363-R384 HydrophobicContact CB-CG 4.25Å; F363-R384 HydrophobicContact CD1-CB 3.87Å; F363-R384 HydrophobicContact CD1-CG 3.93Å; F363-R384 HydrophobicContact CE1-CG 4.49Å; F363-R384 HydrophobicContact CG-CB 4.27Å; F363-R384 HydrophobicContact CG-CG 3.97Å; F363-R396 HydrophobicContact CB-CB 4.15Å; F363-R396 WeakPolarHBondContact O-CD 3.37Å; F363-R396 PolarHBondContact O-NH1 3.37Å; F363-Q397 WeakPolarHBondContact CA-O 3.38Å; F363-K398 HydrophobicContact CD1-CB 4.01Å; F363-K398 HydrophobicContact CE1-CB 3.55Å; F363-K398 HydrophobicContact CE1-CG 4.35Å; F363-K398 HydrophobicContact CZ-CB 4.06Å; F363-K398 HydrophobicContact CZ-CD 4.46Å; F363-K398 HydrophobicContact CZ-CG 4.39Å
364E97.1Very high95Very high23 Ų2336.6 Ų36.611%0.10718%0.178CC..EExtended strand (participates in β ladder)trans-124.3145.3-173.3-61.2-61.9169.100110.6K113 C352 S362 R396 Q397 V399K113-E364 WeakPolarHBondContact CE-OE1 3.38Å; K113-E364 VanDerWaalsContact NZ-CD 3.34Å; K113-E364 IonicContact NZ-OE1 2.69Å; K113-E364 PolarHBondContact NZ-OE1 2.74Å; K113-E364 IonicContact NZ-OE2 2.74Å; K113-E364 PolarHBondContact NZ-OE2 3.42Å; C352-E364 HydrophobicContact CB-CG 4.25Å; S362-E364 PolarHBondContact OG-OE1 3.05Å; E364-R396 VanDerWaalsContact O-CA 3.25Å; E364-R396 WeakPolarHBondContact O-CA 3.42Å; E364-R396 IonicContact OE2-NH1 2.78Å; E364-R396 PolarHBondContact OE2-NH1 2.74Å; E364-Q397 PolarHBondContact N-O 3.01Å; E364-Q397 PolarHBondContact O-N 3.45Å; E364-Q397 VanDerWaalsContact O-N 3.12Å; E364-V399 HydrophobicContact CB-CG2 3.85Å; E364-V399 HydrophobicContact CG-CG2 3.39Å
365P95.4Very high94.7Very high8 Ų839.3 Ų39.35%0.05221%0.206CC..EExtended strand (participates in β ladder)trans-74.1138.3-178.732.6-29.2000108.5K89 G367 L368 L395 R396 Q431K89-P365 HydrophobicContact CG-CG 4.11Å; P365-G367 PolarHBondContact O-N 3.28Å; P365-L368 HydrophobicContact CG-CB 4.38Å; P365-L368 HydrophobicContact CG-CD1 4.02Å; P365-L395 WeakPolarHBondContact CA-O 3.41Å; P365-R396 HydrophobicContact CB-CG 4.16Å; P365-Q431 PolarHBondContact O-OE1 3.28Å
366L92Very high94.5Very high25 Ų2547.2 Ų47.213%0.13124%0.243CC..SBendtrans-76108.5162.5-74.6176.4000108.7F372 F374 L395 H413 M427L366-F372 HydrophobicContact CB-CB 4.13Å; L366-F372 HydrophobicContact CB-CD1 4.46Å; L366-F372 HydrophobicContact CB-CD2 4.19Å; L366-F372 HydrophobicContact CB-CG 4.01Å; L366-F372 HydrophobicContact CD2-CE2 4.48Å; L366-F372 WeakPolarHBondContact O-CB 3.46Å; L366-F374 HydrophobicContact CB-CE1 4.44Å; L366-F374 HydrophobicContact CB-CZ 3.75Å; L366-F374 HydrophobicContact CD1-CE1 4.13Å; L366-F374 HydrophobicContact CD1-CZ 4.26Å; L366-L395 PolarHBondContact N-O 2.82Å; L366-L395 VanDerWaalsContact N-O 3.11Å; L366-H413 VanDerWaalsContact CD1-CE1 3.45Å; L366-H413 WeakPolarHBondContact CD1-CE1 3.46Å; L366-M427 HydrophobicContact CD2-CE 3.76Å; L366-M427 HydrophobicContact CD2-SD 4.37Å
367G93.1Very high94.4Very high1 Ų149.4 Ų49.41%0.0125%0.254CS..  trans111.750.417700000112.6K89 P365 K370 Q431K89-G367 PolarHBondContact NZ-O 3Å; P365-G367 PolarHBondContact O-N 3.28Å; G367-K370 CarbonylContact C-O 3.26Å; G367-K370 VanDerWaalsContact C-O 3.26Å; G367-K370 WeakPolarHBondContact CA-O 3.23Å; G367-Q431 VanDerWaalsContact N-NE2 3.15Å
368L93.6Very high94.3Very high33 Ų3351.8 Ų51.817%0.17327%0.269CS..SBendtrans-67.7-40.3-178.8-176.460.5000112.7L86 K89 P365 Y430L86-L368 WeakPolarHBondContact CD1-O 3.45Å; K89-L368 HydrophobicContact CB-CD1 4.43Å; K89-L368 HydrophobicContact CD-CD1 4.23Å; K89-L368 HydrophobicContact CG-CD1 3.9Å; P365-L368 HydrophobicContact CG-CB 4.38Å; P365-L368 HydrophobicContact CG-CD1 4.02Å; L368-Y430 PolarHBondContact N-O 2.95Å
369K93.6Very high94.1Very high88 Ų8855.2 Ų55.238%0.38330%0.297SS..SBendtrans-106.7-26.4-176.9-67-63.9-173.5-167.80113.8Y430 Q431K369-Y430 PolarHBondContact N-O 3.17Å; K369-Q431 WeakPolarHBondContact CG-O 3.46Å
370K92.8Very high93.9Very high107 Ų10756 Ų5647%0.46530%0.304SS..SBendtrans-140.3143.6171.8-65.7-178.2-178.8174.50107.8G367 F372 R429 Y430G367-K370 CarbonylContact C-O 3.26Å; G367-K370 VanDerWaalsContact C-O 3.26Å; G367-K370 WeakPolarHBondContact CA-O 3.23Å; K370-F372 PolarHBondContact O-N 3.42Å; K370-R429 HydrophobicContact CD-CG 4.37Å; K370-Y430 HydrophobicContact CB-CD1 4.01Å; K370-Y430 PolarHBondContact N-O 3.36Å
371D91.7Very high93.9Very high140 Ų14056 Ų5675%0.74930%0.304SS*.  trans-57.9129.3177.2-67.3-24.8000110.1Y430D371-Y430 WeakPolarHBondContact O-CD1 3.28Å; D371-Y430 WeakPolarHBondContact O-CE1 3.49Å
372F92.6Very high93.9Very high33 Ų3354.1 Ų54.115%0.14530%0.299CS..  trans-74133.2179.1-167.9-89.5000109.1L366 K370 F374 F412 M427 Y430L366-F372 HydrophobicContact CB-CB 4.13Å; L366-F372 HydrophobicContact CB-CD1 4.46Å; L366-F372 HydrophobicContact CB-CD2 4.19Å; L366-F372 HydrophobicContact CB-CG 4.01Å; L366-F372 HydrophobicContact CD2-CE2 4.48Å; L366-F372 WeakPolarHBondContact O-CB 3.46Å; K370-F372 PolarHBondContact O-N 3.42Å; F372-F374 HydrophobicContact CB-CD2 4.14Å; F372-F374 HydrophobicContact CB-CE2 3.69Å; F372-F374 HydrophobicContact CB-CZ 4.17Å; F372-F374 AromaticContact CD1-CD1 3.91Å; F372-F374 HydrophobicContact CD1-CD1 3.91Å; F372-F374 AromaticContact CD1-CD2 3.96Å; F372-F374 HydrophobicContact CD1-CD2 3.96Å; F372-F374 AromaticContact CD1-CE1 3.86Å; F372-F374 HydrophobicContact CD1-CE1 3.86Å; F372-F374 AromaticContact CD1-CE2 3.9Å; F372-F374 HydrophobicContact CD1-CE2 3.9Å; F372-F374 AromaticContact CD1-CG 3.98Å; F372-F374 HydrophobicContact CD1-CG 3.98Å; F372-F374 AromaticContact CD1-CZ 3.88Å; F372-F374 HydrophobicContact CD1-CZ 3.88Å; F372-F374 HydrophobicContact CE1-CD1 4.35Å; F372-F374 HydrophobicContact CE1-CE1 4.37Å; F372-F374 HydrophobicContact CG-CE2 4.22Å; F372-F374 HydrophobicContact CG-CZ 4.32Å; F372-F374 WeakPolarHBondContact O-CD2 3.27Å; F372-F374 PolarHBondContact O-N 3.32Å; F372-F412 HydrophobicContact CE2-CD2 4.46Å; F372-F412 HydrophobicContact CE2-CE2 4.1Å; F372-F412 AromaticContact CZ-CD2 3.93Å; F372-F412 HydrophobicContact CZ-CD2 3.93Å; F372-F412 AromaticContact CZ-CE2 3.95Å; F372-F412 HydrophobicContact CZ-CE2 3.95Å; F372-M427 HydrophobicContact CE2-CE 4.07Å; F372-Y430 HydrophobicContact CD2-CD1 4.32Å; F372-Y430 AromaticContact CD2-CD2 3.45Å; F372-Y430 HydrophobicContact CD2-CD2 3.45Å; F372-Y430 VanDerWaalsContact CD2-CD2 3.45Å; F372-Y430 AromaticContact CD2-CE2 3.97Å; F372-Y430 HydrophobicContact CD2-CE2 3.97Å; F372-Y430 AromaticContact CD2-CG 3.67Å; F372-Y430 HydrophobicContact CD2-CG 3.67Å; F372-Y430 AromaticContact CE2-CD2 3.65Å; F372-Y430 HydrophobicContact CE2-CD2 3.65Å; F372-Y430 HydrophobicContact CE2-CE2 4.03Å; F372-Y430 HydrophobicContact CE2-CG 4.32Å; F372-Y430 HydrophobicContact CG-CD2 4.46Å; F372-Y430 HydrophobicContact CG-CG 4.5Å
373N90.5Very high93.9Very high123 Ų12353.4 Ų53.466%0.65829%0.294SS*.  trans-81.286.9-179.3-174.616.7000110.6G375N373-G375 VanDerWaalsContact C-N 3.32Å; N373-G375 PolarHBondContact OD1-N 3.47Å
374F88.1Confident94Very high16 Ų1653.5 Ų53.57%0.0729%0.293CS..  trans-75.9-17.1175-67.7-84.4000113.3L366 F372 E376 I377 D381 L395 H413 R414L366-F374 HydrophobicContact CB-CE1 4.44Å; L366-F374 HydrophobicContact CB-CZ 3.75Å; L366-F374 HydrophobicContact CD1-CE1 4.13Å; L366-F374 HydrophobicContact CD1-CZ 4.26Å; F372-F374 HydrophobicContact CB-CD2 4.14Å; F372-F374 HydrophobicContact CB-CE2 3.69Å; F372-F374 HydrophobicContact CB-CZ 4.17Å; F372-F374 AromaticContact CD1-CD1 3.91Å; F372-F374 HydrophobicContact CD1-CD1 3.91Å; F372-F374 AromaticContact CD1-CD2 3.96Å; F372-F374 HydrophobicContact CD1-CD2 3.96Å; F372-F374 AromaticContact CD1-CE1 3.86Å; F372-F374 HydrophobicContact CD1-CE1 3.86Å; F372-F374 AromaticContact CD1-CE2 3.9Å; F372-F374 HydrophobicContact CD1-CE2 3.9Å; F372-F374 AromaticContact CD1-CG 3.98Å; F372-F374 HydrophobicContact CD1-CG 3.98Å; F372-F374 AromaticContact CD1-CZ 3.88Å; F372-F374 HydrophobicContact CD1-CZ 3.88Å; F372-F374 HydrophobicContact CE1-CD1 4.35Å; F372-F374 HydrophobicContact CE1-CE1 4.37Å; F372-F374 HydrophobicContact CG-CE2 4.22Å; F372-F374 HydrophobicContact CG-CZ 4.32Å; F372-F374 WeakPolarHBondContact O-CD2 3.27Å; F372-F374 PolarHBondContact O-N 3.32Å; F374-E376 PolarHBondContact O-N 2.67Å; F374-I377 HydrophobicContact CB-CG1 4.03Å; F374-I377 HydrophobicContact CG-CG1 4.46Å; F374-D381 HydrophobicContact CD1-CB 4.14Å; F374-D381 WeakPolarHBondContact CD1-OD1 3.26Å; F374-D381 HydrophobicContact CE1-CB 4.14Å; F374-L395 HydrophobicContact CE2-CD1 4.01Å; F374-L395 HydrophobicContact CE2-CD2 4.33Å; F374-L395 HydrophobicContact CZ-CB 4.37Å; F374-L395 HydrophobicContact CZ-CD2 4.29Å; F374-H413 AromaticContact CE1-CE1 3.98Å; F374-R414 PolarHBondContact O-NH1 3.41Å; F374-R414 PolarHBondContact O-NH2 2.82Å
375G91.2Very high94Very high58 Ų5854.3 Ų54.360%0.59830%0.298SS*.SBendtrans61.3-126-160.100000110.2N373 I377N373-G375 VanDerWaalsContact C-N 3.32Å; N373-G375 PolarHBondContact OD1-N 3.47Å; G375-I377 PolarHBondContact O-N 3.09Å
376E93.6Very high94.1Very high166 Ų16656.9 Ų56.978%0.77631%0.311SS*.SBendtrans-69.5126.3171.4-173.6179.2176.300110.6F374 R414F374-E376 PolarHBondContact O-N 2.67Å; E376-R414 PolarHBondContact O-NH2 2.86Å
377I94.6Very high94.4Very high89 Ų8958.4 Ų58.446%0.45632%0.322SS..PPolyproline II helixtrans-83.2123.9175.8-62.7175.3000108.6F374 G375 D381 I382 L395F374-I377 HydrophobicContact CB-CG1 4.03Å; F374-I377 HydrophobicContact CG-CG1 4.46Å; G375-I377 PolarHBondContact O-N 3.09Å; I377-D381 HydrophobicContact CG2-CB 3.97Å; I377-I382 HydrophobicContact CG2-CD1 3.84Å; I377-L395 HydrophobicContact CD1-CD2 4.49Å; I377-L395 HydrophobicContact CG2-CD2 4.09Å
378T95.2Very high94.6Very high57 Ų5760.2 Ų60.235%0.3533%0.332SS..PPolyproline II helixtrans-101.4170.7177.374.20000111.2A380 D381 I382T378-A380 PolarHBondContact O-N 3.46Å; T378-A380 PolarHBondContact OG1-N 3.01Å; T378-D381 WeakPolarHBondContact CA-OD2 3.36Å; T378-D381 WeakPolarHBondContact CB-OD2 3.4Å; T378-D381 PolarHBondContact N-OD2 3.44Å; T378-D381 WeakPolarHBondContact O-CB 3.39Å; T378-D381 PolarHBondContact O-N 2.89Å; T378-D381 PolarHBondContact OG1-OD2 2.62Å; T378-I382 PolarHBondContact O-N 2.84Å
379A94.5Very high94.8Very high72 Ų7265.9 Ų65.960%0.59536%0.355SS*.Hα-helixtrans-58-34173.100000112.7D381 I382 N386A379-D381 VanDerWaalsContact C-N 3.27Å; A379-D381 PolarHBondContact O-N 3.42Å; A379-I382 PolarHBondContact O-N 3.13Å; A379-N386 PolarHBondContact O-ND2 3.26Å
380A94.9Very high94.9Very high18 Ų1867.4 Ų67.415%0.14936%0.364CS..Hα-helixtrans-64.6-31.8176.700000112.3I232 T378 G383 Q397I232-A380 HydrophobicContact CB-CB 4.32Å; I232-A380 HydrophobicContact CD1-CB 4.1Å; I232-A380 HydrophobicContact CG1-CB 4.37Å; T378-A380 PolarHBondContact O-N 3.46Å; T378-A380 PolarHBondContact OG1-N 3.01Å; A380-G383 PolarHBondContact O-N 2.69Å; A380-Q397 PolarHBondContact O-NE2 2.99Å
381D96.7Very high94.9Very high0 Ų067.8 Ų67.80%037%0.368CS..Hα-helixtrans-75-31.6179-57.9-68.3000113.3F374 I377 T378 A379 G383 L395 Q397 H413 R414F374-D381 HydrophobicContact CD1-CB 4.14Å; F374-D381 WeakPolarHBondContact CD1-OD1 3.26Å; F374-D381 HydrophobicContact CE1-CB 4.14Å; I377-D381 HydrophobicContact CG2-CB 3.97Å; T378-D381 WeakPolarHBondContact CA-OD2 3.36Å; T378-D381 WeakPolarHBondContact CB-OD2 3.4Å; T378-D381 PolarHBondContact N-OD2 3.44Å; T378-D381 WeakPolarHBondContact O-CB 3.39Å; T378-D381 PolarHBondContact O-N 2.89Å; T378-D381 PolarHBondContact OG1-OD2 2.62Å; A379-D381 VanDerWaalsContact C-N 3.27Å; A379-D381 PolarHBondContact O-N 3.42Å; D381-G383 PolarHBondContact O-N 3.18Å; D381-L395 HydrophobicContact CB-CD2 4.27Å; D381-L395 WeakPolarHBondContact O-CA 3.5Å; D381-L395 WeakPolarHBondContact O-CD2 3.3Å; D381-Q397 PolarHBondContact O-NE2 3.07Å; D381-H413 IonicContact OD1-CD2 3.24Å; D381-H413 IonicContact OD1-CE1 3.86Å; D381-H413 IonicContact OD1-NE2 2.71Å; D381-H413 PolarHBondContact OD1-NE2 3.02Å; D381-R414 IonicContact OD1-CZ 2.73Å; D381-R414 VanDerWaalsContact OD1-CZ 3.31Å; D381-R414 IonicContact OD1-NE 3.68Å; D381-R414 PolarHBondContact OD1-NE 2.85Å; D381-R414 IonicContact OD1-NH2 3.3Å; D381-R414 PolarHBondContact OD1-NH2 2.82Å; D381-R414 IonicContact OD2-CZ 3.03Å; D381-R414 IonicContact OD2-NE 3.71Å; D381-R414 PolarHBondContact OD2-NE 3.15Å; D381-R414 IonicContact OD2-NH2 2.84Å; D381-R414 PolarHBondContact OD2-NH2 3.42Å
382I97Very high95Very high35 Ų3564.2 Ų64.218%0.17934%0.344CS..Hα-helixtrans-54.8-36.1175.2-60.2-57.2000110.3I377 T378 A379 R384 M385 N386 K394 L395I377-I382 HydrophobicContact CG2-CD1 3.84Å; T378-I382 PolarHBondContact O-N 2.84Å; A379-I382 PolarHBondContact O-N 3.13Å; I382-R384 PolarHBondContact O-N 3.13Å; I382-M385 HydrophobicContact CG2-CB 3.9Å; I382-M385 HydrophobicContact CG2-CG 4.36Å; I382-M385 HydrophobicContact CG2-SD 4.32Å; I382-N386 VanDerWaalsContact CG2-OD1 3.31Å; I382-N386 WeakPolarHBondContact CG2-OD1 3.49Å; I382-K394 HydrophobicContact CD1-CG 4.46Å; I382-L395 HydrophobicContact CD1-CD2 4.38Å; I382-L395 PolarHBondContact O-N 3.33Å
383G97Very high95.2Very high0 Ų063.8 Ų63.80%034%0.343CS..BIsolated β-bridgetrans65.4-127.6167.100000112.4A380 D381 M385 N386 R396A380-G383 PolarHBondContact O-N 2.69Å; D381-G383 PolarHBondContact O-N 3.18Å; G383-M385 PolarHBondContact O-N 3.01Å; G383-M385 VanDerWaalsContact O-N 3.13Å; G383-N386 VanDerWaalsContact O-CB 3.27Å; G383-N386 WeakPolarHBondContact O-CB 3.48Å; G383-N386 PolarHBondContact O-N 2.69Å; G383-N386 PolarHBondContact O-ND2 2.74Å; G383-R396 WeakPolarHBondContact CA-O 3.31Å
384R97.8Very high95.4Very high31 Ų3162 Ų6212%0.11733%0.329CS..THydrogen-bonded Turntrans-54.9-34-171.6-176.858.1178.2175.5-4.6114.2E245 D249 G250 F363 I382 N386 V387 T388 D393 R396E245-R384 VanDerWaalsContact CD-NH2 3.32Å; E245-R384 IonicContact OE1-CZ 3.68Å; E245-R384 IonicContact OE1-NH1 3.79Å; E245-R384 PolarHBondContact OE1-NH1 3.01Å; E245-R384 IonicContact OE1-NH2 3.71Å; E245-R384 PolarHBondContact OE1-NH2 3.28Å; E245-R384 IonicContact OE2-CZ 3.75Å; E245-R384 IonicContact OE2-NE 3.37Å; E245-R384 IonicContact OE2-NH1 3.88Å; E245-R384 PolarHBondContact OE2-NH1 3.27Å; E245-R384 IonicContact OE2-NH2 2.71Å; E245-R384 PolarHBondContact OE2-NH2 3.22Å; D249-R384 WeakPolarHBondContact O-CD 3.31Å; D249-R384 PolarHBondContact O-NH1 2.95Å; G250-R384 PolarHBondContact O-NH1 3.12Å; F363-R384 HydrophobicContact CB-CB 4.4Å; F363-R384 HydrophobicContact CB-CG 4.25Å; F363-R384 HydrophobicContact CD1-CB 3.87Å; F363-R384 HydrophobicContact CD1-CG 3.93Å; F363-R384 HydrophobicContact CE1-CG 4.49Å; F363-R384 HydrophobicContact CG-CB 4.27Å; F363-R384 HydrophobicContact CG-CG 3.97Å; I382-R384 PolarHBondContact O-N 3.13Å; R384-N386 PolarHBondContact O-N 2.87Å; R384-V387 WeakPolarHBondContact O-CB 3.47Å; R384-V387 PolarHBondContact O-N 2.55Å; R384-T388 HydrophobicContact CG-CG2 4.04Å; R384-T388 VanDerWaalsContact NE-CG2 3.27Å; R384-T388 PolarHBondContact O-N 3.2Å; R384-T388 PolarHBondContact O-OG1 3.3Å; R384-D393 HydrophobicContact CB-CB 3.94Å; R384-D393 HydrophobicContact CG-CB 3.74Å; R384-R396 HydrophobicContact CB-CB 4.11Å; R384-R396 PolarHBondContact N-O 3.01Å
385M98.1Very high95.8Very high40 Ų4063.1 Ų63.120%0.19734%0.336CS..Hα-helixtrans-60.6-26176.6-178.4-176-171.100113.1I382 G383 V387 K389 E390 E391 D393 K394I382-M385 HydrophobicContact CG2-CB 3.9Å; I382-M385 HydrophobicContact CG2-CG 4.36Å; I382-M385 HydrophobicContact CG2-SD 4.32Å; G383-M385 PolarHBondContact O-N 3.01Å; G383-M385 VanDerWaalsContact O-N 3.13Å; M385-V387 PolarHBondContact O-N 3.47Å; M385-K389 WeakPolarHBondContact O-CA 3.43Å; M385-K389 PolarHBondContact O-N 3.29Å; M385-E390 WeakPolarHBondContact CG-O 3.43Å; M385-E391 VanDerWaalsContact CE-OE2 3.29Å; M385-E391 WeakPolarHBondContact CE-OE2 3.2Å; M385-D393 HydrophobicContact CB-CB 4.22Å; M385-D393 PolarHBondContact N-O 3.41Å; M385-K394 HydrophobicContact CB-CB 4.34Å; M385-K394 HydrophobicContact SD-CB 3.67Å; M385-K394 HydrophobicContact SD-CD 3.98Å; M385-K394 HydrophobicContact SD-CG 3.77Å
386N97.7Very high96.1Very high63 Ų6360.6 Ų60.634%0.33731%0.308SS..Hα-helixtrans-61.6-26173.8-68.3-31.8000112A379 I382 G383 R384 K389A379-N386 PolarHBondContact O-ND2 3.26Å; I382-N386 VanDerWaalsContact CG2-OD1 3.31Å; I382-N386 WeakPolarHBondContact CG2-OD1 3.49Å; G383-N386 VanDerWaalsContact O-CB 3.27Å; G383-N386 WeakPolarHBondContact O-CB 3.48Å; G383-N386 PolarHBondContact O-N 2.69Å; G383-N386 PolarHBondContact O-ND2 2.74Å; R384-N386 PolarHBondContact O-N 2.87Å; N386-K389 PolarHBondContact O-NZ 2.76Å
387V98.1Very high96.3Very high57 Ų5753.1 Ų53.135%0.34527%0.273SS..Hα-helixtrans-92.3-53.5178.4-174.70000110.7D249 R251 R384 M385D249-V387 HydrophobicContact CB-CG2 4.22Å; D249-V387 WeakPolarHBondContact O-CG2 3.3Å; R251-V387 HydrophobicContact CB-CG2 3.67Å; R384-V387 WeakPolarHBondContact O-CB 3.47Å; R384-V387 PolarHBondContact O-N 2.55Å; M385-V387 PolarHBondContact O-N 3.47Å
388T97.5Very high96.5Very high39 Ų3949.4 Ų49.424%0.23925%0.254CS..Hα-helixtrans-85-22.6-169.862.70000114.4R384 E390 D393R384-T388 HydrophobicContact CG-CG2 4.04Å; R384-T388 VanDerWaalsContact NE-CG2 3.27Å; R384-T388 PolarHBondContact O-N 3.2Å; R384-T388 PolarHBondContact O-OG1 3.3Å; T388-E390 PolarHBondContact O-N 3.13Å; T388-E390 PolarHBondContact OG1-N 2.76Å; T388-D393 VanDerWaalsContact CB-OD2 3.32Å; T388-D393 WeakPolarHBondContact CB-OD2 3.42Å; T388-D393 VanDerWaalsContact CG2-OD2 3.26Å; T388-D393 WeakPolarHBondContact CG2-OD2 3.36Å; T388-D393 WeakPolarHBondContact OG1-CB 3.37Å; T388-D393 PolarHBondContact OG1-OD2 3.13Å
389K97.6Very high96.6Very high151 Ų15147.1 Ų47.166%0.65724%0.24SC*.  trans63.69.1-171.1-45.1-53.7-177.7-170.50114.6M385 N386M385-K389 WeakPolarHBondContact O-CA 3.43Å; M385-K389 PolarHBondContact O-N 3.29Å; N386-K389 PolarHBondContact O-NZ 2.76Å
390E95.5Very high96.8Very high120 Ų12046.1 Ų46.156%0.56123%0.227SC*.  trans-87.5129.3179.6-64.6-60.5154.500111.5M385 T388 R392 D393M385-E390 WeakPolarHBondContact CG-O 3.43Å; T388-E390 PolarHBondContact O-N 3.13Å; T388-E390 PolarHBondContact OG1-N 2.76Å; E390-R392 PolarHBondContact O-N 3.23Å; E390-D393 HydrophobicContact CB-CB 4.46Å; E390-D393 WeakPolarHBondContact O-CB 3.39Å; E390-D393 PolarHBondContact O-N 2.83Å
391E93.6Very high97Very high116 Ų11646.4 Ų46.454%0.54223%0.232SC..G310 helixtrans-61.5-29-178.2-176.863.1-158.900112.4M385 D393 K394M385-E391 VanDerWaalsContact CE-OE2 3.29Å; M385-E391 WeakPolarHBondContact CE-OE2 3.2Å; E391-D393 PolarHBondContact O-N 2.74Å; E391-K394 WeakPolarHBondContact O-CB 3.35Å; E391-K394 PolarHBondContact O-N 3.35Å; E391-K394 WeakPolarHBondContact OE1-CD 3.18Å; E391-K394 IonicContact OE1-NZ 2.97Å; E391-K394 PolarHBondContact OE1-NZ 3.45Å
392R93.3Very high97.1Very high65 Ų6547.1 Ų47.125%0.24524%0.235CC..G310 helixtrans-62.3-27.7175.5-176.9-179.6178.5-78.8-0.9112.7Y88 E390 K394 R396Y88-R392 HydrophobicContact CE1-CG 4.27Å; Y88-R392 PolarHBondContact O-NE 3.06Å; Y88-R392 PolarHBondContact O-NH2 2.84Å; E390-R392 PolarHBondContact O-N 3.23Å; R392-K394 VanDerWaalsContact C-N 3.27Å; R392-R396 PolarHBondContact O-NE 3.1Å
393D96.2Very high97.1Very high24 Ų2445.7 Ų45.713%0.12823%0.228CC..G310 helixtrans-87.10.8-176.5-72.8-15.6000113.5R384 M385 T388 E390 E391 R396R384-D393 HydrophobicContact CB-CB 3.94Å; R384-D393 HydrophobicContact CG-CB 3.74Å; M385-D393 HydrophobicContact CB-CB 4.22Å; M385-D393 PolarHBondContact N-O 3.41Å; T388-D393 VanDerWaalsContact CB-OD2 3.32Å; T388-D393 WeakPolarHBondContact CB-OD2 3.42Å; T388-D393 VanDerWaalsContact CG2-OD2 3.26Å; T388-D393 WeakPolarHBondContact CG2-OD2 3.36Å; T388-D393 WeakPolarHBondContact OG1-CB 3.37Å; T388-D393 PolarHBondContact OG1-OD2 3.13Å; E390-D393 HydrophobicContact CB-CB 4.46Å; E390-D393 WeakPolarHBondContact O-CB 3.39Å; E390-D393 PolarHBondContact O-N 2.83Å; E391-D393 PolarHBondContact O-N 2.74Å; D393-R396 WeakPolarHBondContact O-CB 3.12Å; D393-R396 PolarHBondContact O-N 3.27Å
394K95.8Very high97.2Very high86 Ų8645.8 Ų45.837%0.37423%0.228SC..THydrogen-bonded Turntrans-65.9134.7177.6-165.1176.8177.9171.30111.1I382 M385 E391 R392 R396I382-K394 HydrophobicContact CD1-CG 4.46Å; M385-K394 HydrophobicContact CB-CB 4.34Å; M385-K394 HydrophobicContact SD-CB 3.67Å; M385-K394 HydrophobicContact SD-CD 3.98Å; M385-K394 HydrophobicContact SD-CG 3.77Å; E391-K394 WeakPolarHBondContact O-CB 3.35Å; E391-K394 PolarHBondContact O-N 3.35Å; E391-K394 WeakPolarHBondContact OE1-CD 3.18Å; E391-K394 IonicContact OE1-NZ 2.97Å; E391-K394 PolarHBondContact OE1-NZ 3.45Å; R392-K394 VanDerWaalsContact C-N 3.27Å; K394-R396 PolarHBondContact O-N 3.34Å
395L96.3Very high97.2Very high39 Ų3945 Ų4520%0.20423%0.227CC..THydrogen-bonded Turntrans60.919.6-177.1-51.6176.9000113.8P365 L366 F374 I377 D381 I382P365-L395 WeakPolarHBondContact CA-O 3.41Å; L366-L395 PolarHBondContact N-O 2.82Å; L366-L395 VanDerWaalsContact N-O 3.11Å; F374-L395 HydrophobicContact CE2-CD1 4.01Å; F374-L395 HydrophobicContact CE2-CD2 4.33Å; F374-L395 HydrophobicContact CZ-CB 4.37Å; F374-L395 HydrophobicContact CZ-CD2 4.29Å; I377-L395 HydrophobicContact CD1-CD2 4.49Å; I377-L395 HydrophobicContact CG2-CD2 4.09Å; D381-L395 HydrophobicContact CB-CD2 4.27Å; D381-L395 WeakPolarHBondContact O-CA 3.5Å; D381-L395 WeakPolarHBondContact O-CD2 3.3Å; I382-L395 HydrophobicContact CD1-CD2 4.38Å; I382-L395 PolarHBondContact O-N 3.33Å
396R97.6Very high97.2Very high4 Ų443.9 Ų43.92%0.01522%0.224CC..EExtended strand (participates in β ladder)trans-95.8135.9172.3-59.9-166.6174.9-107.5-13.9110.7K89 F363 E364 P365 G383 R384 R392 D393 K394K89-R396 PolarHBondContact O-NH2 2.84Å; F363-R396 HydrophobicContact CB-CB 4.15Å; F363-R396 WeakPolarHBondContact O-CD 3.37Å; F363-R396 PolarHBondContact O-NH1 3.37Å; E364-R396 VanDerWaalsContact O-CA 3.25Å; E364-R396 WeakPolarHBondContact O-CA 3.42Å; E364-R396 IonicContact OE2-NH1 2.78Å; E364-R396 PolarHBondContact OE2-NH1 2.74Å; P365-R396 HydrophobicContact CB-CG 4.16Å; G383-R396 WeakPolarHBondContact CA-O 3.31Å; R384-R396 HydrophobicContact CB-CB 4.11Å; R384-R396 PolarHBondContact N-O 3.01Å; R392-R396 PolarHBondContact O-NE 3.1Å; D393-R396 WeakPolarHBondContact O-CB 3.12Å; D393-R396 PolarHBondContact O-N 3.27Å; K394-R396 PolarHBondContact O-N 3.34Å
397Q97.8Very high97.2Very high10 Ų1045.2 Ų45.25%0.04723%0.231CC..EExtended strand (participates in β ladder)trans-120.9154.5171.8-57-64.6-11.400108.6W248 F363 E364 A380 D381 V399W248-Q397 HydrophobicContact CE3-CB 4.28Å; W248-Q397 CarbonylContact O-C 3.14Å; W248-Q397 PolarHBondContact O-OE1 3.14Å; F363-Q397 WeakPolarHBondContact CA-O 3.38Å; E364-Q397 PolarHBondContact N-O 3.01Å; E364-Q397 PolarHBondContact O-N 3.45Å; E364-Q397 VanDerWaalsContact O-N 3.12Å; A380-Q397 PolarHBondContact O-NE2 2.99Å; D381-Q397 PolarHBondContact O-NE2 3.07Å; Q397-V399 PolarHBondContact O-N 3.44Å
398K98.1Very high97.2Very high11 Ų1143.5 Ų43.55%0.04822%0.221CC..EExtended strand (participates in β ladder)trans-55.8126.5167.2-175166.664.5770107.5N243 E245 F247 W248 S362 F363 P400N243-K398 PolarHBondContact ND2-NZ 3.01Å; N243-K398 PolarHBondContact OD1-NZ 3.07Å; E245-K398 WeakPolarHBondContact O-CD 3.48Å; E245-K398 WeakPolarHBondContact O-CE 3.46Å; F247-K398 WeakPolarHBondContact O-CE 3.36Å; W248-K398 WeakPolarHBondContact O-CB 3.35Å; W248-K398 PolarHBondContact O-N 2.57Å; S362-K398 WeakPolarHBondContact O-CA 3.35Å; F363-K398 HydrophobicContact CD1-CB 4.01Å; F363-K398 HydrophobicContact CE1-CB 3.55Å; F363-K398 HydrophobicContact CE1-CG 4.35Å; F363-K398 HydrophobicContact CZ-CB 4.06Å; F363-K398 HydrophobicContact CZ-CD 4.46Å; F363-K398 HydrophobicContact CZ-CG 4.39Å; K398-P400 WeakPolarHBondContact O-CD 3.25Å
399V98.2Very high97.2Very high9 Ų943.6 Ų43.66%0.05523%0.225CC..PPolyproline II helixtrans-59123173.8177.80000107.5C352 H353 G360 S362 E364 Q397C352-V399 HydrophobicContact CB-CG1 4.16Å; C352-V399 HydrophobicContact CB-CG2 4.01Å; H353-V399 WeakPolarHBondContact CE1-CG1 3.42Å; H353-V399 VanDerWaalsContact ND1-CG1 3.35Å; H353-V399 WeakPolarHBondContact ND1-CG1 3.36Å; G360-V399 VanDerWaalsContact CA-O 3.29Å; G360-V399 WeakPolarHBondContact CA-O 3.47Å; G360-V399 PolarHBondContact N-O 3.12Å; S362-V399 PolarHBondContact O-N 3.44Å; S362-V399 WeakPolarHBondContact OG-CG2 3.32Å; E364-V399 HydrophobicContact CB-CG2 3.85Å; E364-V399 HydrophobicContact CG-CG2 3.39Å; Q397-V399 PolarHBondContact O-N 3.44Å
400P97.7Very high97.2Very high51 Ų5137.3 Ų37.333%0.33120%0.2SC..PPolyproline II helixtrans-68.7147-179.227.6-32.5000110.2W248 H353 K398W248-P400 HydrophobicContact CH2-CB 3.95Å; W248-P400 HydrophobicContact CH2-CG 4.24Å; W248-P400 HydrophobicContact CZ3-CB 3.97Å; W248-P400 HydrophobicContact CZ3-CG 4.1Å; H353-P400 PolarHBondContact CE1-O 3.45Å; H353-P400 VanDerWaalsContact CE1-O 3.26Å; H353-P400 PolarHBondContact ND1-O 2.87Å; K398-P400 WeakPolarHBondContact O-CD 3.25Å
401G98.2Very high97.3Very high24 Ų2432.5 Ų32.525%0.24718%0.177CC..PPolyproline II helixtrans-64.2145.1166.700000110.2I357I357-G401 CarbonylContact O-C 3.54Å; I357-G401 WeakPolarHBondContact O-CA 3.48Å
402L98.8Very high97.5Very high14 Ų1428.6 Ų28.67%0.07316%0.158CC..  trans-100.2-3.5179.7-59.3178.7000113.8F344 H353 I357 L358 N404 V405 L448 L451F344-L402 HydrophobicContact CE2-CD1 3.57Å; F344-L402 HydrophobicContact CZ-CD1 3.67Å; H353-L402 HydrophobicContact CB-CD1 3.72Å; H353-L402 HydrophobicContact CB-CG 4.39Å; H353-L402 VanDerWaalsContact CG-CD1 3.47Å; H353-L402 WeakPolarHBondContact ND1-CD1 3.33Å; H353-L402 VanDerWaalsContact ND1-CG 3.33Å; H353-L402 WeakPolarHBondContact ND1-CG 3.41Å; I357-L402 PolarHBondContact O-N 3.38Å; L358-L402 HydrophobicContact CB-CB 3.95Å; L358-L402 HydrophobicContact CB-CD1 4.3Å; L358-L402 HydrophobicContact CB-CG 4.28Å; L358-L402 PolarHBondContact O-N 3.14Å; L402-N404 PolarHBondContact O-N 2.99Å; L402-V405 HydrophobicContact CB-CB 4.46Å; L402-V405 HydrophobicContact CB-CG1 4.27Å; L402-V405 HydrophobicContact CD2-CB 4.34Å; L402-V405 HydrophobicContact CD2-CG1 4.39Å; L402-V405 HydrophobicContact CD2-CG2 4.09Å; L402-V405 VanDerWaalsContact O-CB 3.32Å; L402-V405 WeakPolarHBondContact O-CB 3.37Å; L402-V405 WeakPolarHBondContact O-CG1 3.49Å; L402-V405 PolarHBondContact O-N 3.2Å; L402-V405 VanDerWaalsContact O-N 3.13Å; L402-L448 HydrophobicContact CB-CD2 4.38Å; L402-L448 HydrophobicContact CD1-CD2 3.88Å; L402-L451 HydrophobicContact CB-CD1 3.71Å; L402-L451 WeakPolarHBondContact O-CD1 3.41Å
403R98.6Very high97.6Very high5 Ų525.8 Ų25.82%0.01915%0.147CC..THydrogen-bonded Turntrans-62.2128.4171.1-58.7-68.1-171.1173.63.8109Q172 I174 S320 D323 I356 I357 L358 V405Q172-R403 PolarHBondContact O-NH2 2.9Å; I174-R403 HydrophobicContact CD1-CB 4.14Å; I174-R403 HydrophobicContact CD1-CG 3.75Å; I174-R403 HydrophobicContact CG1-CG 4.38Å; S320-R403 PolarHBondContact OG-NH1 3.34Å; D323-R403 IonicContact OD1-CZ 2.68Å; D323-R403 IonicContact OD1-NH1 2.58Å; D323-R403 PolarHBondContact OD1-NH1 3.18Å; D323-R403 IonicContact OD1-NH2 3.97Å; D323-R403 PolarHBondContact OD1-NH2 3.24Å; D323-R403 IonicContact OD2-CZ 3.29Å; D323-R403 IonicContact OD2-NH1 3.82Å; D323-R403 PolarHBondContact OD2-NH1 3.24Å; I356-R403 PolarHBondContact O-NE 2.94Å; I356-R403 PolarHBondContact O-NH2 2.84Å; I356-R403 VanDerWaalsContact O-NH2 3.1Å; I357-R403 HydrophobicContact CB-CG 4.07Å; I357-R403 HydrophobicContact CG2-CG 4.36Å; L358-R403 HydrophobicContact CD1-CG 4.27Å; L358-R403 VanDerWaalsContact CD1-CZ 3.47Å; R403-V405 PolarHBondContact O-N 3.25Å
404N98.3Very high97.6Very high3 Ų326.7 Ų26.72%0.01615%0.149CC..THydrogen-bonded Turntrans60.516-173.9-48.2-40.7000115.6T317 L402 A406 L407 L451 N452 G453T317-N404 WeakPolarHBondContact CG2-ND2 3.37Å; T317-N404 PolarHBondContact OG1-ND2 3.07Å; L402-N404 PolarHBondContact O-N 2.99Å; N404-A406 PolarHBondContact O-N 3.17Å; N404-A406 VanDerWaalsContact O-N 3.11Å; N404-L407 HydrophobicContact CB-CD1 4.3Å; N404-L407 WeakPolarHBondContact O-CB 3.37Å; N404-L407 PolarHBondContact O-N 2.79Å; N404-L451 PolarHBondContact N-O 3.29Å; N404-N452 WeakPolarHBondContact CA-OD1 3.44Å; N404-N452 WeakPolarHBondContact OD1-CA 3.24Å; N404-G453 PolarHBondContact OD1-N 3.3Å
405V98.5Very high97.6Very high13 Ų1322.8 Ų22.88%0.07913%0.133CC..G310 helixtrans-60.9-26.6-176.171.20000112.8L402 R403 L407 T408 Y411 L420 L448L402-V405 HydrophobicContact CB-CB 4.46Å; L402-V405 HydrophobicContact CB-CG1 4.27Å; L402-V405 HydrophobicContact CD2-CB 4.34Å; L402-V405 HydrophobicContact CD2-CG1 4.39Å; L402-V405 HydrophobicContact CD2-CG2 4.09Å; L402-V405 VanDerWaalsContact O-CB 3.32Å; L402-V405 WeakPolarHBondContact O-CB 3.37Å; L402-V405 WeakPolarHBondContact O-CG1 3.49Å; L402-V405 PolarHBondContact O-N 3.2Å; L402-V405 VanDerWaalsContact O-N 3.13Å; R403-V405 PolarHBondContact O-N 3.25Å; V405-L407 PolarHBondContact O-N 3.38Å; V405-L407 VanDerWaalsContact O-N 3.1Å; V405-T408 PolarHBondContact O-N 3.28Å; V405-T408 PolarHBondContact O-OG1 3.31Å; V405-Y411 HydrophobicContact CG2-CD1 4.21Å; V405-Y411 HydrophobicContact CG2-CE1 3.86Å; V405-Y411 WeakPolarHBondContact O-CE1 3.43Å; V405-Y411 PolarHBondContact O-OH 3.48Å; V405-L420 HydrophobicContact CG1-CD1 4.15Å; V405-L420 HydrophobicContact CG1-CD2 4.44Å; V405-L420 HydrophobicContact CG2-CD1 4.07Å; V405-L448 HydrophobicContact CG1-CB 3.98Å; V405-L448 HydrophobicContact CG1-CD1 4.5Å; V405-L448 HydrophobicContact CG1-CD2 4.32Å; V405-L448 HydrophobicContact CG1-CG 4.49Å
406A98.3Very high97.5Very high18 Ų1824.8 Ų24.815%0.14914%0.144CC..G310 helixtrans-64.7-12.6174.300000113.8N404 L420 H449N404-A406 PolarHBondContact O-N 3.17Å; N404-A406 VanDerWaalsContact O-N 3.11Å; A406-L420 HydrophobicContact CB-CD2 4.27Å; A406-H449 WeakPolarHBondContact CB-ND1 3.25Å
407L97.6Very high97.5Very high90 Ų9025.2 Ų25.247%0.47115%0.147SC..G310 helixtrans-105.81-177.5-52.3-178.6000113.5N404 V405N404-L407 HydrophobicContact CB-CD1 4.3Å; N404-L407 WeakPolarHBondContact O-CB 3.37Å; N404-L407 PolarHBondContact O-N 2.79Å; V405-L407 PolarHBondContact O-N 3.38Å; V405-L407 VanDerWaalsContact O-N 3.1Å
408T97.7Very high97.5Very high22 Ų2229.4 Ų29.414%0.13518%0.175CC..SBendtrans-116.825-167.760.80000114.1V216 T236 V405V216-T408 HydrophobicContact CG1-CG2 4.2Å; V216-T408 HydrophobicContact CG2-CG2 4.32Å; T236-T408 HydrophobicContact CG2-CG2 4.5Å; V405-T408 PolarHBondContact O-N 3.28Å; V405-T408 PolarHBondContact O-OG1 3.31Å
409A97.7Very high97.5Very high40 Ų4032.2 Ų32.233%0.33119%0.194SC..PPolyproline II helixtrans-58.9147.4173.200000111Y411A409-Y411 HydrophobicContact CB-CE2 3.79Å
410P97.9Very high97.5Very high19 Ų1932.5 Ų32.512%0.12320%0.195CC..SBendcis-81.5163.6-4.235.7-36.9000113.4R219 K220 G415 V417R219-P410 WeakPolarHBondContact O-CD 3.4Å; K220-P410 HydrophobicContact CB-CG 4.44Å; P410-G415 WeakPolarHBondContact CB-O 3.41Å; P410-G415 WeakPolarHBondContact CG-O 3.28Å; P410-V417 CarbonylContact C-O 3.49Å; P410-V417 WeakPolarHBondContact CA-O 3.26Å; P410-V417 WeakPolarHBondContact CB-O 3.49Å
411Y97.6Very high97.6Very high20 Ų2032 Ų328%0.07819%0.189CC..BIsolated β-bridgetrans-98.7163-167-56-77.1000114.5V405 A409 G415 D416 V417 T419 L420 A423V405-Y411 HydrophobicContact CG2-CD1 4.21Å; V405-Y411 HydrophobicContact CG2-CE1 3.86Å; V405-Y411 WeakPolarHBondContact O-CE1 3.43Å; V405-Y411 PolarHBondContact O-OH 3.48Å; A409-Y411 HydrophobicContact CB-CE2 3.79Å; Y411-G415 CarbonylContact O-C 3.3Å; Y411-G415 WeakPolarHBondContact O-CA 3.16Å; Y411-D416 PolarHBondContact O-N 3.47Å; Y411-V417 VanDerWaalsContact CD2-O 3.26Å; Y411-V417 WeakPolarHBondContact CD2-O 3.36Å; Y411-V417 PolarHBondContact N-O 3.19Å; Y411-V417 PolarHBondContact O-N 3.3Å; Y411-T419 VanDerWaalsContact CD2-C 3.46Å; Y411-T419 WeakPolarHBondContact CD2-O 3.48Å; Y411-L420 HydrophobicContact CD1-CD1 4.3Å; Y411-L420 HydrophobicContact CE1-CD1 3.71Å; Y411-L420 HydrophobicContact CE2-CB 4.07Å; Y411-L420 HydrophobicContact CE2-CD1 4.46Å; Y411-A423 HydrophobicContact CD2-CB 4.18Å; Y411-A423 HydrophobicContact CG-CB 3.96Å
412F96.8Very high97.6Very high34 Ų3431.6 Ų31.615%0.14919%0.185CC..SBendtrans68.9167.6-173.9-53.2-22.7000113.6F372 R414 G415 V417 A423 L426 M427F372-F412 HydrophobicContact CE2-CD2 4.46Å; F372-F412 HydrophobicContact CE2-CE2 4.1Å; F372-F412 AromaticContact CZ-CD2 3.93Å; F372-F412 HydrophobicContact CZ-CD2 3.93Å; F372-F412 AromaticContact CZ-CE2 3.95Å; F372-F412 HydrophobicContact CZ-CE2 3.95Å; F412-R414 PolarHBondContact O-N 2.88Å; F412-R414 VanDerWaalsContact O-N 3.1Å; F412-G415 PolarHBondContact O-N 3.42Å; F412-V417 HydrophobicContact CD2-CB 4.31Å; F412-V417 HydrophobicContact CD2-CG2 3.46Å; F412-V417 VanDerWaalsContact CD2-CG2 3.46Å; F412-V417 HydrophobicContact CE2-CB 4.4Å; F412-V417 HydrophobicContact CE2-CG2 3.53Å; F412-V417 HydrophobicContact CG-CG2 4.32Å; F412-V417 HydrophobicContact CZ-CG2 4.41Å; F412-A423 HydrophobicContact CE1-CB 3.98Å; F412-A423 HydrophobicContact CZ-CB 4.07Å; F412-L426 HydrophobicContact CE2-CB 4.05Å; F412-L426 HydrophobicContact CE2-CD1 3.87Å; F412-L426 HydrophobicContact CZ-CB 4.07Å; F412-L426 HydrophobicContact CZ-CD1 4.47Å; F412-M427 HydrophobicContact CD1-CE 4.43Å; F412-M427 HydrophobicContact CE1-CE 3.59Å; F412-M427 HydrophobicContact CE1-CG 4.07Å; F412-M427 HydrophobicContact CE1-SD 4.25Å; F412-M427 HydrophobicContact CE2-CE 3.81Å; F412-M427 HydrophobicContact CZ-CE 3.23Å; F412-M427 HydrophobicContact CZ-CG 4.11Å; F412-M427 HydrophobicContact CZ-SD 4.34Å
413H96.6Very high97.6Very high5 Ų531.3 Ų31.32%0.02318%0.184CC..THydrogen-bonded Turntrans-62-22.9-174.466.7-65.9000113.1I232 N233 W248 L366 F374 D381I232-H413 HydrophobicContact CD1-CB 4.15Å; I232-H413 HydrophobicContact CG1-CB 4.12Å; I232-H413 WeakPolarHBondContact CG1-O 3.42Å; N233-H413 WeakPolarHBondContact CB-O 3.19Å; N233-H413 PolarHBondContact N-O 2.87Å; W248-H413 HydrophobicContact CB-CB 4.49Å; W248-H413 HydrophobicContact CD2-CB 3.54Å; W248-H413 HydrophobicContact CE3-CB 3.81Å; W248-H413 HydrophobicContact CG-CB 3.87Å; W248-H413 HydrophobicContact CH2-CB 4.41Å; W248-H413 HydrophobicContact CZ2-CB 4.18Å; W248-H413 HydrophobicContact CZ3-CB 4.23Å; L366-H413 VanDerWaalsContact CD1-CE1 3.45Å; L366-H413 WeakPolarHBondContact CD1-CE1 3.46Å; F374-H413 AromaticContact CE1-CE1 3.98Å; D381-H413 IonicContact OD1-CD2 3.24Å; D381-H413 IonicContact OD1-CE1 3.86Å; D381-H413 IonicContact OD1-NE2 2.71Å; D381-H413 PolarHBondContact OD1-NE2 3.02Å
414R95.4Very high97.6Very high44 Ų4431.8 Ų31.817%0.16619%0.188CC..THydrogen-bonded Turntrans-89.1-9.4173.2-65.8-172.8176.4-174.50.6115K220 F374 E376 D381 F412 D416K220-R414 WeakPolarHBondContact CE-O 3.28Å; K220-R414 WeakPolarHBondContact CG-O 3.45Å; F374-R414 PolarHBondContact O-NH1 3.41Å; F374-R414 PolarHBondContact O-NH2 2.82Å; E376-R414 PolarHBondContact O-NH2 2.86Å; D381-R414 IonicContact OD1-CZ 2.73Å; D381-R414 VanDerWaalsContact OD1-CZ 3.31Å; D381-R414 IonicContact OD1-NE 3.68Å; D381-R414 PolarHBondContact OD1-NE 2.85Å; D381-R414 IonicContact OD1-NH2 3.3Å; D381-R414 PolarHBondContact OD1-NH2 2.82Å; D381-R414 IonicContact OD2-CZ 3.03Å; D381-R414 IonicContact OD2-NE 3.71Å; D381-R414 PolarHBondContact OD2-NE 3.15Å; D381-R414 IonicContact OD2-NH2 2.84Å; D381-R414 PolarHBondContact OD2-NH2 3.42Å; F412-R414 PolarHBondContact O-N 2.88Å; F412-R414 VanDerWaalsContact O-N 3.1Å; R414-D416 HydrophobicContact CB-CB 4.23Å; R414-D416 VanDerWaalsContact CB-OD2 3.24Å; R414-D416 WeakPolarHBondContact CB-OD2 3.15Å; R414-D416 VanDerWaalsContact CD-OD2 3.22Å; R414-D416 WeakPolarHBondContact CD-OD2 3.43Å; R414-D416 PolarHBondContact O-N 3.13Å
415G95.8Very high97.6Very high4 Ų435.5 Ų35.54%0.04120%0.204CC..  trans61.825.7-171.600000113.7K220 P410 Y411 F412K220-G415 WeakPolarHBondContact CG-O 3.29Å; P410-G415 WeakPolarHBondContact CB-O 3.41Å; P410-G415 WeakPolarHBondContact CG-O 3.28Å; Y411-G415 CarbonylContact O-C 3.3Å; Y411-G415 WeakPolarHBondContact O-CA 3.16Å; F412-G415 PolarHBondContact O-N 3.42Å
416D94.9Very high97.5Very high80 Ų8037.2 Ų37.243%0.42821%0.213SC..  trans-85.2-8.8-173-87.8-36.8000114K220 Y411 R414K220-D416 WeakPolarHBondContact CE-OD1 2.97Å; K220-D416 IonicContact NZ-OD1 3.79Å; K220-D416 PolarHBondContact NZ-OD1 3.49Å; K220-D416 IonicContact NZ-OD2 2.92Å; Y411-D416 PolarHBondContact O-N 3.47Å; R414-D416 HydrophobicContact CB-CB 4.23Å; R414-D416 VanDerWaalsContact CB-OD2 3.24Å; R414-D416 WeakPolarHBondContact CB-OD2 3.15Å; R414-D416 VanDerWaalsContact CD-OD2 3.22Å; R414-D416 WeakPolarHBondContact CD-OD2 3.43Å; R414-D416 PolarHBondContact O-N 3.13Å
417V97.1Very high97.5Very high13 Ų1338.5 Ų38.58%0.07922%0.216CC..BIsolated β-bridgetrans-111.5112-175179.70000109.4P410 Y411 F412 T419 A423 L426P410-V417 CarbonylContact C-O 3.49Å; P410-V417 WeakPolarHBondContact CA-O 3.26Å; P410-V417 WeakPolarHBondContact CB-O 3.49Å; Y411-V417 VanDerWaalsContact CD2-O 3.26Å; Y411-V417 WeakPolarHBondContact CD2-O 3.36Å; Y411-V417 PolarHBondContact N-O 3.19Å; Y411-V417 PolarHBondContact O-N 3.3Å; F412-V417 HydrophobicContact CD2-CB 4.31Å; F412-V417 HydrophobicContact CD2-CG2 3.46Å; F412-V417 VanDerWaalsContact CD2-CG2 3.46Å; F412-V417 HydrophobicContact CE2-CB 4.4Å; F412-V417 HydrophobicContact CE2-CG2 3.53Å; F412-V417 HydrophobicContact CG-CG2 4.32Å; F412-V417 HydrophobicContact CZ-CG2 4.41Å; V417-T419 PolarHBondContact O-N 3.01Å; V417-A423 HydrophobicContact CG1-CB 4.01Å; V417-L426 HydrophobicContact CG1-CD1 4.14Å; V417-L426 HydrophobicContact CG2-CD1 3.55Å
418P97.4Very high97.6Very high98 Ų9834.5 Ų34.564%0.63620%0.195SC*.  trans-77.5-22.5-168.727.3-34.5000114.6
419T98.5Very high97.6Very high71 Ų7139.9 Ų39.944%0.43621%0.213SC..  trans-127.7146.4-169.2600000112.1Y411 V417 D421 G422 A423Y411-T419 VanDerWaalsContact CD2-C 3.46Å; Y411-T419 WeakPolarHBondContact CD2-O 3.48Å; V417-T419 PolarHBondContact O-N 3.01Å; T419-D421 VanDerWaalsContact C-N 3.34Å; T419-D421 PolarHBondContact O-N 3.01Å; T419-G422 PolarHBondContact O-N 3.11Å; T419-G422 PolarHBondContact OG1-N 3.14Å; T419-G422 VanDerWaalsContact OG1-N 3.12Å; T419-A423 PolarHBondContact O-N 2.97Å
420L98.5Very high97.5Very high15 Ų1539.2 Ų39.28%0.07920%0.202CC..Hα-helixtrans-63.1-41.2178.3-167.357.8000111.6V405 A406 Y411 G422 A423 V424 V445 L448V405-L420 HydrophobicContact CG1-CD1 4.15Å; V405-L420 HydrophobicContact CG1-CD2 4.44Å; V405-L420 HydrophobicContact CG2-CD1 4.07Å; A406-L420 HydrophobicContact CB-CD2 4.27Å; Y411-L420 HydrophobicContact CD1-CD1 4.3Å; Y411-L420 HydrophobicContact CE1-CD1 3.71Å; Y411-L420 HydrophobicContact CE2-CB 4.07Å; Y411-L420 HydrophobicContact CE2-CD1 4.46Å; L420-G422 PolarHBondContact O-N 3.5Å; L420-A423 WeakPolarHBondContact O-CB 3.27Å; L420-A423 PolarHBondContact O-N 3.46Å; L420-A423 VanDerWaalsContact O-N 3.12Å; L420-V424 WeakPolarHBondContact O-CG2 3.27Å; L420-V424 PolarHBondContact O-N 2.66Å; L420-V445 HydrophobicContact CD2-CG1 4.32Å; L420-L448 HydrophobicContact CD1-CD1 3.87Å; L420-L448 HydrophobicContact CD2-CB 3.73Å; L420-L448 HydrophobicContact CD2-CD1 4.01Å; L420-L448 HydrophobicContact CG-CD1 3.95Å
421D98.7Very high97.4Very high40 Ų4039.9 Ų39.921%0.21420%0.203CC..Hα-helixtrans-52.1-53.2171.3167.5-87.8000111.8T419 A423 V424 K425 Q438 V441 V445T419-D421 VanDerWaalsContact C-N 3.34Å; T419-D421 PolarHBondContact O-N 3.01Å; D421-A423 VanDerWaalsContact C-N 3.29Å; D421-A423 PolarHBondContact O-N 3.27Å; D421-V424 PolarHBondContact O-N 3.4Å; D421-K425 VanDerWaalsContact CG-NZ 3.28Å; D421-K425 WeakPolarHBondContact O-CG 3.3Å; D421-K425 PolarHBondContact O-N 2.92Å; D421-K425 WeakPolarHBondContact OD1-CD 3.34Å; D421-K425 WeakPolarHBondContact OD1-CE 3.32Å; D421-K425 IonicContact OD1-NZ 2.7Å; D421-K425 PolarHBondContact OD1-NZ 2.74Å; D421-K425 VanDerWaalsContact OD2-CE 3.25Å; D421-K425 WeakPolarHBondContact OD2-CE 3.46Å; D421-K425 IonicContact OD2-NZ 3.17Å; D421-K425 PolarHBondContact OD2-NZ 3.41Å; D421-Q438 PolarHBondContact OD2-NE2 2.85Å; D421-V441 VanDerWaalsContact OD2-CG1 3.27Å; D421-V441 WeakPolarHBondContact OD2-CG1 3.46Å; D421-V445 HydrophobicContact CB-CG2 4.34Å
422G98.5Very high97.4Very high15 Ų1539.8 Ų39.816%0.15521%0.205CC..Hα-helixtrans-57.4-40.8175.900000112.8T419 L420 K425 L426T419-G422 PolarHBondContact O-N 3.11Å; T419-G422 PolarHBondContact OG1-N 3.14Å; T419-G422 VanDerWaalsContact OG1-N 3.12Å; L420-G422 PolarHBondContact O-N 3.5Å; G422-K425 PolarHBondContact O-N 2.95Å; G422-L426 WeakPolarHBondContact O-CB 3.45Å; G422-L426 WeakPolarHBondContact O-CG 3.22Å; G422-L426 PolarHBondContact O-N 3.05Å
423A98.4Very high97.3Very high8 Ų839.8 Ų39.87%0.06622%0.215CC..Hα-helixtrans-64-44.6176.900000111.8Y411 F412 V417 T419 L420 D421 L426 M427Y411-A423 HydrophobicContact CD2-CB 4.18Å; Y411-A423 HydrophobicContact CG-CB 3.96Å; F412-A423 HydrophobicContact CE1-CB 3.98Å; F412-A423 HydrophobicContact CZ-CB 4.07Å; V417-A423 HydrophobicContact CG1-CB 4.01Å; T419-A423 PolarHBondContact O-N 2.97Å; L420-A423 WeakPolarHBondContact O-CB 3.27Å; L420-A423 PolarHBondContact O-N 3.46Å; L420-A423 VanDerWaalsContact O-N 3.12Å; D421-A423 VanDerWaalsContact C-N 3.29Å; D421-A423 PolarHBondContact O-N 3.27Å; A423-L426 PolarHBondContact O-N 3.41Å; A423-M427 WeakPolarHBondContact O-CG 3.27Å; A423-M427 PolarHBondContact O-N 3.11Å
424V98.7Very high97.3Very high16 Ų1644.1 Ų44.110%0.09723%0.234CC..Hα-helixtrans-60-48.9175.7173.70000110.8L420 D421 L426 M427 L428 V441 I444 V445 L448L420-V424 WeakPolarHBondContact O-CG2 3.27Å; L420-V424 PolarHBondContact O-N 2.66Å; D421-V424 PolarHBondContact O-N 3.4Å; V424-L426 VanDerWaalsContact C-N 3.34Å; V424-L426 PolarHBondContact O-N 2.87Å; V424-M427 PolarHBondContact O-N 2.83Å; V424-L428 HydrophobicContact CG1-CD1 3.89Å; V424-L428 HydrophobicContact CG1-CG 4.39Å; V424-L428 WeakPolarHBondContact O-CG 3.39Å; V424-L428 PolarHBondContact O-N 2.89Å; V424-V441 HydrophobicContact CB-CG1 4.3Å; V424-V441 HydrophobicContact CG1-CG1 4.02Å; V424-I444 HydrophobicContact CG1-CB 4.35Å; V424-I444 HydrophobicContact CG1-CD1 4.32Å; V424-I444 HydrophobicContact CG1-CG2 3.92Å; V424-I444 HydrophobicContact CG2-CG2 4.07Å; V424-V445 HydrophobicContact CG2-CG2 4.11Å; V424-L448 HydrophobicContact CG2-CD1 3.77Å
425K98.6Very high97.4Very high80 Ų8051 Ų5135%0.34827%0.267SS..Hα-helixtrans-58.7-43.3178.4-74.7171.9177.1159.40112.6D421 G422 R429 V441D421-K425 VanDerWaalsContact CG-NZ 3.28Å; D421-K425 WeakPolarHBondContact O-CG 3.3Å; D421-K425 PolarHBondContact O-N 2.92Å; D421-K425 WeakPolarHBondContact OD1-CD 3.34Å; D421-K425 WeakPolarHBondContact OD1-CE 3.32Å; D421-K425 IonicContact OD1-NZ 2.7Å; D421-K425 PolarHBondContact OD1-NZ 2.74Å; D421-K425 VanDerWaalsContact OD2-CE 3.25Å; D421-K425 WeakPolarHBondContact OD2-CE 3.46Å; D421-K425 IonicContact OD2-NZ 3.17Å; D421-K425 PolarHBondContact OD2-NZ 3.41Å; G422-K425 PolarHBondContact O-N 2.95Å; K425-R429 WeakPolarHBondContact O-CB 3.45Å; K425-R429 PolarHBondContact O-N 2.68Å; K425-V441 HydrophobicContact CG-CG1 4.18Å; K425-V441 HydrophobicContact CG-CG2 4.27Å
426L97.9Very high97.6Very high50 Ų5052.4 Ų52.426%0.26227%0.274SS..Hα-helixtrans-68-38.5178.1-65.2169.7000111.4F412 V417 G422 A423 V424 R429 Y430F412-L426 HydrophobicContact CE2-CB 4.05Å; F412-L426 HydrophobicContact CE2-CD1 3.87Å; F412-L426 HydrophobicContact CZ-CB 4.07Å; F412-L426 HydrophobicContact CZ-CD1 4.47Å; V417-L426 HydrophobicContact CG1-CD1 4.14Å; V417-L426 HydrophobicContact CG2-CD1 3.55Å; G422-L426 WeakPolarHBondContact O-CB 3.45Å; G422-L426 WeakPolarHBondContact O-CG 3.22Å; G422-L426 PolarHBondContact O-N 3.05Å; A423-L426 PolarHBondContact O-N 3.41Å; V424-L426 VanDerWaalsContact C-N 3.34Å; V424-L426 PolarHBondContact O-N 2.87Å; L426-R429 PolarHBondContact O-N 2.83Å; L426-Y430 HydrophobicContact CB-CD2 4.16Å; L426-Y430 HydrophobicContact CB-CE2 4.3Å; L426-Y430 HydrophobicContact CD2-CD2 4.37Å; L426-Y430 HydrophobicContact CD2-CE2 3.68Å; L426-Y430 WeakPolarHBondContact O-CB 3.31Å; L426-Y430 WeakPolarHBondContact O-CD2 3.5Å; L426-Y430 PolarHBondContact O-N 3.01Å
427M98.1Very high97.7Very high45 Ų4551.9 Ų51.922%0.22228%0.275CS..Hα-helixtrans-66.5-42.8175.6-72.8-58.1102.700112.5L366 F372 F412 A423 V424 R429 Q431 V432L366-M427 HydrophobicContact CD2-CE 3.76Å; L366-M427 HydrophobicContact CD2-SD 4.37Å; F372-M427 HydrophobicContact CE2-CE 4.07Å; F412-M427 HydrophobicContact CD1-CE 4.43Å; F412-M427 HydrophobicContact CE1-CE 3.59Å; F412-M427 HydrophobicContact CE1-CG 4.07Å; F412-M427 HydrophobicContact CE1-SD 4.25Å; F412-M427 HydrophobicContact CE2-CE 3.81Å; F412-M427 HydrophobicContact CZ-CE 3.23Å; F412-M427 HydrophobicContact CZ-CG 4.11Å; F412-M427 HydrophobicContact CZ-SD 4.34Å; A423-M427 WeakPolarHBondContact O-CG 3.27Å; A423-M427 PolarHBondContact O-N 3.11Å; V424-M427 PolarHBondContact O-N 2.83Å; M427-R429 VanDerWaalsContact C-N 3.31Å; M427-R429 PolarHBondContact O-N 2.92Å; M427-Q431 HydrophobicContact CE-CG 4.27Å; M427-Q431 WeakPolarHBondContact O-CA 3.49Å; M427-Q431 WeakPolarHBondContact O-CB 3.42Å; M427-Q431 PolarHBondContact O-N 3.46Å; M427-Q431 HydrophobicContact SD-CG 3.48Å; M427-Q431 WeakPolarHBondContact SD-CG 3.24Å; M427-V432 PolarHBondContact O-N 3.41Å
428L98.4Very high97.8Very high6 Ų655.3 Ų55.33%0.03129%0.29CS..Iπ-helixtrans-55.7-47.5171.4-74.8166.4000110.9N347 V424 V432 G433 K434 L436 V441N347-L428 HydrophobicContact CB-CD2 3.98Å; V424-L428 HydrophobicContact CG1-CD1 3.89Å; V424-L428 HydrophobicContact CG1-CG 4.39Å; V424-L428 WeakPolarHBondContact O-CG 3.39Å; V424-L428 PolarHBondContact O-N 2.89Å; L428-V432 HydrophobicContact CD2-CG2 4.47Å; L428-V432 CarbonylContact O-C 3.4Å; L428-V432 WeakPolarHBondContact O-CB 3.28Å; L428-V432 PolarHBondContact O-N 2.82Å; L428-G433 PolarHBondContact O-N 3.31Å; L428-K434 CarbonylContact C-O 3.48Å; L428-K434 PolarHBondContact O-N 2.75Å; L428-L436 HydrophobicContact CD1-CB 4.24Å; L428-L436 HydrophobicContact CD1-CD1 3.81Å; L428-L436 HydrophobicContact CD1-CG 3.91Å; L428-L436 HydrophobicContact CD2-CD1 3.75Å; L428-L436 HydrophobicContact CD2-CG 4.04Å; L428-L436 HydrophobicContact CG-CD1 4.46Å; L428-V441 HydrophobicContact CD1-CG2 4.16Å
429R97.5Very high97.9Very high135 Ų13556.7 Ų56.751%0.50929%0.288SS..Iπ-helixtrans-65.2-51-179-179.8175.2177.2151-0.6113.3K370 K425 L426 M427 G433 K434K370-R429 HydrophobicContact CD-CG 4.37Å; K425-R429 WeakPolarHBondContact O-CB 3.45Å; K425-R429 PolarHBondContact O-N 2.68Å; L426-R429 PolarHBondContact O-N 2.83Å; M427-R429 VanDerWaalsContact C-N 3.31Å; M427-R429 PolarHBondContact O-N 2.92Å; R429-G433 WeakPolarHBondContact O-CA 3.43Å; R429-K434 PolarHBondContact N-O 2.82Å
430Y96.8Very high97.9Very high25 Ų2554.6 Ų54.610%0.09827%0.274CS..Iπ-helixtrans-91.1-33.3-168.8-66.4-65.3000113.8L368 K369 K370 D371 F372 L426L368-Y430 PolarHBondContact N-O 2.95Å; K369-Y430 PolarHBondContact N-O 3.17Å; K370-Y430 HydrophobicContact CB-CD1 4.01Å; K370-Y430 PolarHBondContact N-O 3.36Å; D371-Y430 WeakPolarHBondContact O-CD1 3.28Å; D371-Y430 WeakPolarHBondContact O-CE1 3.49Å; F372-Y430 HydrophobicContact CD2-CD1 4.32Å; F372-Y430 AromaticContact CD2-CD2 3.45Å; F372-Y430 HydrophobicContact CD2-CD2 3.45Å; F372-Y430 VanDerWaalsContact CD2-CD2 3.45Å; F372-Y430 AromaticContact CD2-CE2 3.97Å; F372-Y430 HydrophobicContact CD2-CE2 3.97Å; F372-Y430 AromaticContact CD2-CG 3.67Å; F372-Y430 HydrophobicContact CD2-CG 3.67Å; F372-Y430 AromaticContact CE2-CD2 3.65Å; F372-Y430 HydrophobicContact CE2-CD2 3.65Å; F372-Y430 HydrophobicContact CE2-CE2 4.03Å; F372-Y430 HydrophobicContact CE2-CG 4.32Å; F372-Y430 HydrophobicContact CG-CD2 4.46Å; F372-Y430 HydrophobicContact CG-CG 4.5Å; L426-Y430 HydrophobicContact CB-CD2 4.16Å; L426-Y430 HydrophobicContact CB-CE2 4.3Å; L426-Y430 HydrophobicContact CD2-CD2 4.37Å; L426-Y430 HydrophobicContact CD2-CE2 3.68Å; L426-Y430 WeakPolarHBondContact O-CB 3.31Å; L426-Y430 WeakPolarHBondContact O-CD2 3.5Å; L426-Y430 PolarHBondContact O-N 3.01Å
431Q96.3Very high97.9Very high33 Ų3354 Ų5415%0.15427%0.271CS..Iπ-helixtrans-98.4-33.6-177.5-44.5-46.3-17.400113.4P365 G367 K369 M427P365-Q431 PolarHBondContact O-OE1 3.28Å; G367-Q431 VanDerWaalsContact N-NE2 3.15Å; K369-Q431 WeakPolarHBondContact CG-O 3.46Å; M427-Q431 HydrophobicContact CE-CG 4.27Å; M427-Q431 WeakPolarHBondContact O-CA 3.49Å; M427-Q431 WeakPolarHBondContact O-CB 3.42Å; M427-Q431 PolarHBondContact O-N 3.46Å; M427-Q431 HydrophobicContact SD-CG 3.48Å; M427-Q431 WeakPolarHBondContact SD-CG 3.24Å
432V96Very high97.9Very high18 Ų1855.4 Ų55.411%0.10928%0.279CS..Iπ-helixtrans-101-29.2-176.7-170.90000111.3N347 K348 M427 L428 K434N347-V432 WeakPolarHBondContact O-CG2 3.38Å; K348-V432 HydrophobicContact CD-CG1 4.24Å; M427-V432 PolarHBondContact O-N 3.41Å; L428-V432 HydrophobicContact CD2-CG2 4.47Å; L428-V432 CarbonylContact O-C 3.4Å; L428-V432 WeakPolarHBondContact O-CB 3.28Å; L428-V432 PolarHBondContact O-N 2.82Å; V432-K434 HydrophobicContact CG1-CB 4.2Å; V432-K434 HydrophobicContact CG1-CD 3.84Å; V432-K434 HydrophobicContact CG1-CG 3.91Å
433G96Very high97.9Very high35 Ų3555.3 Ų55.336%0.36128%0.275SS..  trans78.123.8-175.900000113.1L428 R429L428-G433 PolarHBondContact O-N 3.31Å; R429-G433 WeakPolarHBondContact O-CA 3.43Å
434K96.4Very high98Very high96 Ų9655.1 Ų55.142%0.41727%0.272SS..  trans-120.2161-177.6-71.1-174.8-177.1-177.50111.7N347 L428 R429 V432N347-K434 VanDerWaalsContact OD1-CD 3.27Å; N347-K434 WeakPolarHBondContact OD1-CD 3.43Å; N347-K434 PolarHBondContact OD1-NZ 3.38Å; L428-K434 CarbonylContact C-O 3.48Å; L428-K434 PolarHBondContact O-N 2.75Å; R429-K434 PolarHBondContact N-O 2.82Å; V432-K434 HydrophobicContact CG1-CB 4.2Å; V432-K434 HydrophobicContact CG1-CD 3.84Å; V432-K434 HydrophobicContact CG1-CG 3.91Å
435E98Very high98Very high187 Ų18755.4 Ų55.487%0.87427%0.274SS*.  trans-128.4130.5164.2-173169.5167.300106.1
436L98.4Very high98Very high34 Ų3452.3 Ų52.318%0.17826%0.264CS..  trans-109154.5-178.9-61.9-177.5000109.7L428 D440 V441 I444L428-L436 HydrophobicContact CD1-CB 4.24Å; L428-L436 HydrophobicContact CD1-CD1 3.81Å; L428-L436 HydrophobicContact CD1-CG 3.91Å; L428-L436 HydrophobicContact CD2-CD1 3.75Å; L428-L436 HydrophobicContact CD2-CG 4.04Å; L428-L436 HydrophobicContact CG-CD1 4.46Å; L436-D440 HydrophobicContact CB-CB 4.18Å; L436-D440 HydrophobicContact CD1-CB 4.37Å; L436-V441 HydrophobicContact CB-CG2 4.26Å; L436-I444 HydrophobicContact CD1-CD1 3.95Å
437P98.5Very high98Very high70 Ų7050 Ų5046%0.45525%0.251SS..  trans-52.4149.2167.2-24.635.3000111.7E439 D440 V441P437-E439 HydrophobicContact CB-CG 3.91Å; P437-E439 PolarHBondContact O-N 3.29Å; P437-D440 PolarHBondContact O-N 2.88Å; P437-V441 PolarHBondContact O-N 3.27Å; P437-V441 VanDerWaalsContact O-N 3.16Å
438Q98.7Very high98.1Very high84 Ų8448.2 Ų48.239%0.39324%0.243SC..Hα-helixtrans-57.4-38.8-178.4-17660.950.100112.2D421 D440 V441 D442D421-Q438 PolarHBondContact OD2-NE2 2.85Å; Q438-D440 VanDerWaalsContact C-N 3.28Å; Q438-D440 PolarHBondContact O-N 3.46Å; Q438-V441 CarbonylContact O-C 3.51Å; Q438-V441 WeakPolarHBondContact O-CA 3.41Å; Q438-V441 WeakPolarHBondContact O-CB 3.49Å; Q438-V441 PolarHBondContact O-N 3.43Å; Q438-V441 VanDerWaalsContact O-N 3.09Å; Q438-D442 PolarHBondContact NE2-OD1 3.42Å; Q438-D442 PolarHBondContact O-N 3.09Å
439E98.7Very high98.1Very high127 Ų12752.2 Ų52.259%0.59326%0.261SS*.Hα-helixtrans-57.1-39.6176.758.1-177.2-174.400112.9P437 D442 D443P437-E439 HydrophobicContact CB-CG 3.91Å; P437-E439 PolarHBondContact O-N 3.29Å; E439-D442 PolarHBondContact O-N 3.14Å; E439-D443 PolarHBondContact O-N 2.89Å
440D98.8Very high98.2Very high27 Ų2745.9 Ų45.914%0.14424%0.238CC..Hα-helixtrans-74.4-32.1178.3-74.7-15.4000111.2K339 L343 L436 P437 Q438 I444K339-D440 IonicContact NZ-OD1 2.85Å; K339-D440 PolarHBondContact NZ-OD1 2.78Å; L343-D440 HydrophobicContact CD1-CB 3.73Å; L343-D440 HydrophobicContact CD2-CB 4.4Å; L436-D440 HydrophobicContact CB-CB 4.18Å; L436-D440 HydrophobicContact CD1-CB 4.37Å; P437-D440 PolarHBondContact O-N 2.88Å; Q438-D440 VanDerWaalsContact C-N 3.28Å; Q438-D440 PolarHBondContact O-N 3.46Å; D440-I444 VanDerWaalsContact O-CG1 3.32Å; D440-I444 WeakPolarHBondContact O-CG1 3.17Å; D440-I444 PolarHBondContact O-N 2.83Å; D440-I444 VanDerWaalsContact O-N 3.08Å
441V98.9Very high98.3Very high2 Ų244.7 Ų44.71%0.01223%0.233CC..Hα-helixtrans-65.3-44.1170.8178.20000110.3D421 V424 K425 L428 L436 P437 Q438 D443 I444 V445D421-V441 VanDerWaalsContact OD2-CG1 3.27Å; D421-V441 WeakPolarHBondContact OD2-CG1 3.46Å; V424-V441 HydrophobicContact CB-CG1 4.3Å; V424-V441 HydrophobicContact CG1-CG1 4.02Å; K425-V441 HydrophobicContact CG-CG1 4.18Å; K425-V441 HydrophobicContact CG-CG2 4.27Å; L428-V441 HydrophobicContact CD1-CG2 4.16Å; L436-V441 HydrophobicContact CB-CG2 4.26Å; P437-V441 PolarHBondContact O-N 3.27Å; P437-V441 VanDerWaalsContact O-N 3.16Å; Q438-V441 CarbonylContact O-C 3.51Å; Q438-V441 WeakPolarHBondContact O-CA 3.41Å; Q438-V441 WeakPolarHBondContact O-CB 3.49Å; Q438-V441 PolarHBondContact O-N 3.43Å; Q438-V441 VanDerWaalsContact O-N 3.09Å; V441-D443 VanDerWaalsContact C-N 3.28Å; V441-D443 PolarHBondContact O-N 3.04Å; V441-I444 PolarHBondContact O-N 2.91Å; V441-V445 HydrophobicContact CG1-CG2 4.36Å; V441-V445 WeakPolarHBondContact O-CG2 3.43Å; V441-V445 PolarHBondContact O-N 3.31Å
442D98.9Very high98.4Very high70 Ų7045 Ų4537%0.37424%0.236SC..Hα-helixtrans-61.7-38.6177.9-66.2-21.1000111.1Q438 E439 V445 A446Q438-D442 PolarHBondContact NE2-OD1 3.42Å; Q438-D442 PolarHBondContact O-N 3.09Å; E439-D442 PolarHBondContact O-N 3.14Å; D442-V445 PolarHBondContact O-N 3.4Å; D442-A446 WeakPolarHBondContact O-CB 3.37Å; D442-A446 PolarHBondContact O-N 3.14Å
443D98.9Very high98.5Very high14 Ų1445 Ų458%0.07524%0.239CC..Hα-helixtrans-64.7-45.4174.9-67.9-17.2000111.8Q336 K339 G340 L343 E439 V441 V445 A446 F447Q336-D443 HydrophobicContact CG-CB 4.4Å; Q336-D443 WeakPolarHBondContact CG-OD1 3.47Å; Q336-D443 PolarHBondContact NE2-OD1 3.29Å; K339-D443 WeakPolarHBondContact CD-OD2 3.26Å; K339-D443 VanDerWaalsContact CE-OD2 3.26Å; K339-D443 WeakPolarHBondContact CE-OD2 3.41Å; K339-D443 IonicContact NZ-OD2 2.83Å; K339-D443 PolarHBondContact NZ-OD2 2.79Å; G340-D443 VanDerWaalsContact CA-C 3.42Å; G340-D443 WeakPolarHBondContact CA-O 3.25Å; L343-D443 HydrophobicContact CD1-CB 3.89Å; E439-D443 PolarHBondContact O-N 2.89Å; V441-D443 VanDerWaalsContact C-N 3.28Å; V441-D443 PolarHBondContact O-N 3.04Å; D443-V445 VanDerWaalsContact C-N 3.32Å; D443-V445 PolarHBondContact O-N 3.07Å; D443-A446 WeakPolarHBondContact O-CB 3.39Å; D443-A446 PolarHBondContact O-N 3.35Å; D443-F447 PolarHBondContact O-N 3.47Å
444I98.9Very high98.5Very high3 Ų346.8 Ų46.82%0.01524%0.243CC..Hα-helixtrans-60.2-44.4174.2-67.2166000110.2L343 V424 L436 D440 V441 A446 F447 L448L343-I444 HydrophobicContact CB-CD1 4.07Å; L343-I444 HydrophobicContact CB-CG1 3.75Å; L343-I444 HydrophobicContact CD1-CG1 4.43Å; V424-I444 HydrophobicContact CG1-CB 4.35Å; V424-I444 HydrophobicContact CG1-CD1 4.32Å; V424-I444 HydrophobicContact CG1-CG2 3.92Å; V424-I444 HydrophobicContact CG2-CG2 4.07Å; L436-I444 HydrophobicContact CD1-CD1 3.95Å; D440-I444 VanDerWaalsContact O-CG1 3.32Å; D440-I444 WeakPolarHBondContact O-CG1 3.17Å; D440-I444 PolarHBondContact O-N 2.83Å; D440-I444 VanDerWaalsContact O-N 3.08Å; V441-I444 PolarHBondContact O-N 2.91Å; I444-A446 VanDerWaalsContact C-N 3.35Å; I444-A446 PolarHBondContact O-N 3.36Å; I444-F447 WeakPolarHBondContact O-CB 3.31Å; I444-F447 PolarHBondContact O-N 3.13Å; I444-L448 HydrophobicContact CG2-CD1 4.42Å; I444-L448 WeakPolarHBondContact O-CG 3.38Å; I444-L448 PolarHBondContact O-N 3.48Å
445V98.9Very high98.5Very high22 Ų2244.6 Ų44.613%0.13323%0.233CC..Hα-helixtrans-61.3-44177.1167.40000110.7L420 D421 V424 V441 D442 D443 F447 L448 H449L420-V445 HydrophobicContact CD2-CG1 4.32Å; D421-V445 HydrophobicContact CB-CG2 4.34Å; V424-V445 HydrophobicContact CG2-CG2 4.11Å; V441-V445 HydrophobicContact CG1-CG2 4.36Å; V441-V445 WeakPolarHBondContact O-CG2 3.43Å; V441-V445 PolarHBondContact O-N 3.31Å; D442-V445 PolarHBondContact O-N 3.4Å; D443-V445 VanDerWaalsContact C-N 3.32Å; D443-V445 PolarHBondContact O-N 3.07Å; V445-F447 VanDerWaalsContact C-N 3.3Å; V445-F447 PolarHBondContact O-N 2.99Å; V445-L448 PolarHBondContact O-N 3.29Å; V445-H449 PolarHBondContact O-CD2 3.46Å; V445-H449 VanDerWaalsContact O-CD2 3.25Å; V445-H449 PolarHBondContact O-N 3.29Å
446A98.9Very high98.3Very high16 Ų1641 Ų4113%0.13222%0.223CC..Hα-helixtrans-59-41.8175.800000111.7Q336 Q337 D442 D443 I444 H449 S450Q336-A446 HydrophobicContact CG-CB 4.09Å; Q337-A446 HydrophobicContact CG-CB 4.23Å; Q337-A446 WeakPolarHBondContact CG-O 3.42Å; Q337-A446 PolarHBondContact NE2-O 3.05Å; D442-A446 WeakPolarHBondContact O-CB 3.37Å; D442-A446 PolarHBondContact O-N 3.14Å; D443-A446 WeakPolarHBondContact O-CB 3.39Å; D443-A446 PolarHBondContact O-N 3.35Å; I444-A446 VanDerWaalsContact C-N 3.35Å; I444-A446 PolarHBondContact O-N 3.36Å; A446-H449 WeakPolarHBondContact O-CB 3.35Å; A446-H449 PolarHBondContact O-N 3.31Å; A446-S450 PolarHBondContact O-N 3.35Å
447F98.9Very high98Very high0 Ų043 Ų430%024%0.238CC..Hα-helixtrans-59.1-47.1170.8161.8-112.2000111.8F322 Y341 F344 L358 D443 I444 V445 H449 S450 L451F322-F447 HydrophobicContact CD1-CE2 4.49Å; F322-F447 HydrophobicContact CD2-CD2 4.26Å; F322-F447 AromaticContact CD2-CE2 3.59Å; F322-F447 HydrophobicContact CD2-CE2 3.59Å; F322-F447 HydrophobicContact CE1-CE2 4.45Å; F322-F447 HydrophobicContact CE2-CD2 4.42Å; F322-F447 AromaticContact CE2-CE2 3.58Å; F322-F447 HydrophobicContact CE2-CE2 3.58Å; F322-F447 HydrophobicContact CE2-CZ 4.4Å; F322-F447 HydrophobicContact CG-CE2 4.08Å; F322-F447 HydrophobicContact CZ-CE2 4.03Å; F322-F447 HydrophobicContact CZ-CZ 4.44Å; Y341-F447 HydrophobicContact CD2-CD1 4.49Å; Y341-F447 HydrophobicContact CD2-CD2 4.09Å; Y341-F447 AromaticContact CD2-CE1 3.91Å; Y341-F447 HydrophobicContact CD2-CE1 3.91Å; Y341-F447 AromaticContact CD2-CE2 3.46Å; Y341-F447 HydrophobicContact CD2-CE2 3.46Å; Y341-F447 VanDerWaalsContact CD2-CE2 3.46Å; Y341-F447 AromaticContact CD2-CZ 3.35Å; Y341-F447 HydrophobicContact CD2-CZ 3.35Å; Y341-F447 HydrophobicContact CE2-CE2 4.28Å; Y341-F447 AromaticContact CE2-CZ 3.96Å; Y341-F447 HydrophobicContact CE2-CZ 3.96Å; Y341-F447 HydrophobicContact CG-CD2 4.21Å; Y341-F447 AromaticContact CG-CE2 3.91Å; Y341-F447 HydrophobicContact CG-CE2 3.91Å; Y341-F447 HydrophobicContact CG-CZ 4.25Å; F344-F447 HydrophobicContact CB-CD1 4.11Å; F344-F447 HydrophobicContact CB-CE1 4.09Å; F344-F447 HydrophobicContact CD1-CE1 4.09Å; F344-F447 HydrophobicContact CD2-CD1 4.08Å; F344-F447 AromaticContact CD2-CE1 3.7Å; F344-F447 HydrophobicContact CD2-CE1 3.7Å; F344-F447 HydrophobicContact CE1-CE1 4.4Å; F344-F447 HydrophobicContact CE2-CE1 4.03Å; F344-F447 HydrophobicContact CG-CD1 4.16Å; F344-F447 AromaticContact CG-CE1 3.71Å; F344-F447 HydrophobicContact CG-CE1 3.71Å; F344-F447 HydrophobicContact CZ-CE1 4.35Å; L358-F447 HydrophobicContact CD2-CE1 4.44Å; L358-F447 HydrophobicContact CD2-CZ 3.9Å; D443-F447 PolarHBondContact O-N 3.47Å; I444-F447 WeakPolarHBondContact O-CB 3.31Å; I444-F447 PolarHBondContact O-N 3.13Å; V445-F447 VanDerWaalsContact C-N 3.3Å; V445-F447 PolarHBondContact O-N 2.99Å; F447-H449 PolarHBondContact O-N 3.05Å; F447-S450 WeakPolarHBondContact O-CA 3.35Å; F447-S450 VanDerWaalsContact O-CB 3.29Å; F447-S450 WeakPolarHBondContact O-CB 3.04Å; F447-S450 PolarHBondContact O-N 2.94Å; F447-S450 PolarHBondContact O-OG 3.14Å; F447-L451 HydrophobicContact CE1-CD1 4.32Å; F447-L451 HydrophobicContact CE2-CD2 3.84Å; F447-L451 HydrophobicContact CE2-CG 4.37Å; F447-L451 HydrophobicContact CZ-CD1 4.15Å; F447-L451 HydrophobicContact CZ-CD2 3.88Å; F447-L451 HydrophobicContact CZ-CG 4.29Å
448L98.9Very high97.6Very high8 Ų842.5 Ų42.54%0.04223%0.228CC..Hα-helixtrans-62-31.2179-64.1177.9000112.8F344 L402 V405 L420 V424 I444 V445 S450 L451F344-L448 HydrophobicContact CE2-CD2 4.3Å; L402-L448 HydrophobicContact CB-CD2 4.38Å; L402-L448 HydrophobicContact CD1-CD2 3.88Å; V405-L448 HydrophobicContact CG1-CB 3.98Å; V405-L448 HydrophobicContact CG1-CD1 4.5Å; V405-L448 HydrophobicContact CG1-CD2 4.32Å; V405-L448 HydrophobicContact CG1-CG 4.49Å; L420-L448 HydrophobicContact CD1-CD1 3.87Å; L420-L448 HydrophobicContact CD2-CB 3.73Å; L420-L448 HydrophobicContact CD2-CD1 4.01Å; L420-L448 HydrophobicContact CG-CD1 3.95Å; V424-L448 HydrophobicContact CG2-CD1 3.77Å; I444-L448 HydrophobicContact CG2-CD1 4.42Å; I444-L448 WeakPolarHBondContact O-CG 3.38Å; I444-L448 PolarHBondContact O-N 3.48Å; V445-L448 PolarHBondContact O-N 3.29Å; L448-S450 VanDerWaalsContact C-N 3.29Å; L448-S450 PolarHBondContact O-N 2.89Å; L448-L451 HydrophobicContact CD2-CD1 3.8Å; L448-L451 WeakPolarHBondContact O-CB 3.44Å; L448-L451 PolarHBondContact O-N 3.26Å
449H98.8Very high96.8Very high91 Ų9145.9 Ų45.942%0.42125%0.245SC..Hα-helixtrans-66.7-27.8170.8-82.8-82000113.4A406 V445 A446 F447 L451 N452A406-H449 WeakPolarHBondContact CB-ND1 3.25Å; V445-H449 PolarHBondContact O-CD2 3.46Å; V445-H449 VanDerWaalsContact O-CD2 3.25Å; V445-H449 PolarHBondContact O-N 3.29Å; A446-H449 WeakPolarHBondContact O-CB 3.35Å; A446-H449 PolarHBondContact O-N 3.31Å; F447-H449 PolarHBondContact O-N 3.05Å; H449-L451 PolarHBondContact O-N 3.07Å; H449-N452 PolarHBondContact O-N 2.98Å
450S98.8Very high95.4Very high1 Ų144.1 Ų44.11%0.00724%0.237CC..THydrogen-bonded Turntrans-72.3-10.3176.691.50000113.2S320 P321 F322 L333 Q337 A446 F447 L448 N452S320-S450 WeakPolarHBondContact CB-O 3.4Å; P321-S450 VanDerWaalsContact CD-O 3.24Å; P321-S450 WeakPolarHBondContact CD-O 3.29Å; F322-S450 PolarHBondContact N-O 2.81Å; F322-S450 VanDerWaalsContact N-O 3.08Å; L333-S450 WeakPolarHBondContact CD2-OG 3.33Å; Q337-S450 VanDerWaalsContact NE2-CB 3.35Å; A446-S450 PolarHBondContact O-N 3.35Å; F447-S450 WeakPolarHBondContact O-CA 3.35Å; F447-S450 VanDerWaalsContact O-CB 3.29Å; F447-S450 WeakPolarHBondContact O-CB 3.04Å; F447-S450 PolarHBondContact O-N 2.94Å; F447-S450 PolarHBondContact O-OG 3.14Å; L448-S450 VanDerWaalsContact C-N 3.29Å; L448-S450 PolarHBondContact O-N 2.89Å; S450-N452 VanDerWaalsContact C-N 3.33Å
451L98.8Very high93.8Very high0 Ų049.7 Ų49.70%027%0.267CS..THydrogen-bonded Turntrans-85.4-1.7177.2-55.6179000113.6F322 L358 L402 N404 F447 L448 H449 G453F322-L451 HydrophobicContact CB-CD2 3.72Å; F322-L451 HydrophobicContact CD1-CD2 3.56Å; F322-L451 HydrophobicContact CE1-CD2 4.33Å; F322-L451 HydrophobicContact CG-CD2 3.67Å; L358-L451 HydrophobicContact CD1-CD2 4.16Å; L358-L451 HydrophobicContact CD2-CD1 3.94Å; L358-L451 HydrophobicContact CD2-CD2 4.15Å; L402-L451 HydrophobicContact CB-CD1 3.71Å; L402-L451 WeakPolarHBondContact O-CD1 3.41Å; N404-L451 PolarHBondContact N-O 3.29Å; F447-L451 HydrophobicContact CE1-CD1 4.32Å; F447-L451 HydrophobicContact CE2-CD2 3.84Å; F447-L451 HydrophobicContact CE2-CG 4.37Å; F447-L451 HydrophobicContact CZ-CD1 4.15Å; F447-L451 HydrophobicContact CZ-CD2 3.88Å; F447-L451 HydrophobicContact CZ-CG 4.29Å; L448-L451 HydrophobicContact CD2-CD1 3.8Å; L448-L451 WeakPolarHBondContact O-CB 3.44Å; L448-L451 PolarHBondContact O-N 3.26Å; H449-L451 PolarHBondContact O-N 3.07Å; L451-G453 PolarHBondContact O-N 3.02Å
452N98.6Very high91.4Very high40 Ų4059.7 Ų59.721%0.21431%0.311CS..  trans-69.7111.9174.7-74.2-3.2000109.7S320 P321 N404 H449 S450S320-N452 VanDerWaalsContact CA-O 3.27Å; S320-N452 WeakPolarHBondContact CA-O 3.28Å; S320-N452 VanDerWaalsContact CB-O 3.23Å; S320-N452 WeakPolarHBondContact CB-O 3.42Å; P321-N452 WeakPolarHBondContact CD-O 3.41Å; N404-N452 WeakPolarHBondContact CA-OD1 3.44Å; N404-N452 WeakPolarHBondContact OD1-CA 3.24Å; H449-N452 PolarHBondContact O-N 2.98Å; S450-N452 VanDerWaalsContact C-N 3.33Å
453G98.2Very high88.4Confident18 Ų1868.4 Ų68.419%0.18635%0.349CS..  trans-88.6177.5175.100000113T317 P318 N404 L451T317-G453 WeakPolarHBondContact O-CA 3.5Å; P318-G453 CarbonylContact O-C 3.59Å; P318-G453 WeakPolarHBondContact O-CA 3.3Å; N404-G453 PolarHBondContact OD1-N 3.3Å; L451-G453 PolarHBondContact O-N 3.02Å
454V97.5Very high87.9Confident72 Ų7271.1 Ų71.144%0.43636%0.362SS..  trans-97.4115.5177.3-1800000108.7T317 P318 D319T317-V454 WeakPolarHBondContact CA-O 3.33Å; P318-V454 WeakPolarHBondContact CD-O 3.32Å; P318-V454 PolarHBondContact O-N 3.12Å; D319-V454 HydrophobicContact CB-CB 4.42Å; D319-V454 HydrophobicContact CB-CG2 4.11Å
455Y95.5Very high87.3Confident51 Ų5174.7 Ų74.720%0.238%0.381CS..  trans-83.4123.5164.8171.2-126.4000109L211 F238 L315 P457L211-Y455 HydrophobicContact CB-CE1 3.86Å; L211-Y455 WeakPolarHBondContact CD1-OH 3.33Å; F238-Y455 HydrophobicContact CD1-CD2 4.38Å; F238-Y455 HydrophobicContact CE1-CD1 4.07Å; F238-Y455 AromaticContact CE1-CD2 3.45Å; F238-Y455 HydrophobicContact CE1-CD2 3.45Å; F238-Y455 VanDerWaalsContact CE1-CD2 3.45Å; F238-Y455 HydrophobicContact CE1-CE1 4.39Å; F238-Y455 AromaticContact CE1-CE2 3.83Å; F238-Y455 HydrophobicContact CE1-CE2 3.83Å; F238-Y455 AromaticContact CE1-CG 3.59Å; F238-Y455 HydrophobicContact CE1-CG 3.59Å; F238-Y455 AromaticContact CZ-CD1 3.73Å; F238-Y455 HydrophobicContact CZ-CD1 3.73Å; F238-Y455 AromaticContact CZ-CD2 3.97Å; F238-Y455 HydrophobicContact CZ-CD2 3.97Å; F238-Y455 HydrophobicContact CZ-CE1 4.2Å; F238-Y455 HydrophobicContact CZ-CE2 4.43Å; F238-Y455 AromaticContact CZ-CG 3.61Å; F238-Y455 HydrophobicContact CZ-CG 3.61Å; L315-Y455 HydrophobicContact CD2-CE2 3.92Å; Y455-P457 HydrophobicContact CD1-CG 4.3Å; Y455-P457 HydrophobicContact CE1-CB 4.2Å; Y455-P457 HydrophobicContact CE1-CG 4.02Å; Y455-P457 WeakPolarHBondContact O-CD 3.47Å
456T94.1Very high86.7Confident111 Ų11177.6 Ų77.668%0.68139%0.394SS*.  trans-96.1110.9170.1-60.10000108.3Y458T456-Y458 PolarHBondContact O-N 3.08Å
457P92.4Very high86Confident76 Ų7681.2 Ų81.249%0.49441%0.41SS..  trans-56.9135.8179.8-26.235.6000112.3Y455 M459Y455-P457 HydrophobicContact CD1-CG 4.3Å; Y455-P457 HydrophobicContact CE1-CB 4.2Å; Y455-P457 HydrophobicContact CE1-CG 4.02Å; Y455-P457 WeakPolarHBondContact O-CD 3.47Å; P457-M459 PolarHBondContact O-N 3.47Å
458Y89.9Confident85.2Confident60 Ų6086.3 Ų86.324%0.23544%0.436CS..  trans-64.2124170.5-178.2-103.2000109.7V185 A186 F189 F311 T456 Q460V185-Y458 HydrophobicContact CG1-CD2 3.74Å; V185-Y458 HydrophobicContact CG1-CE1 4.43Å; V185-Y458 HydrophobicContact CG1-CE2 3.37Å; V185-Y458 HydrophobicContact CG1-CG 4.44Å; A186-Y458 WeakPolarHBondContact CA-OH 3.23Å; A186-Y458 VanDerWaalsContact CB-OH 3.3Å; A186-Y458 WeakPolarHBondContact CB-OH 3.39Å; F189-Y458 HydrophobicContact CB-CD1 3.81Å; F189-Y458 HydrophobicContact CB-CE1 3.94Å; F189-Y458 HydrophobicContact CD1-CD1 4.08Å; F189-Y458 HydrophobicContact CD1-CE1 4.35Å; F189-Y458 AromaticContact CD2-CD1 3.61Å; F189-Y458 HydrophobicContact CD2-CD1 3.61Å; F189-Y458 HydrophobicContact CD2-CG 4.25Å; F189-Y458 HydrophobicContact CE2-CD1 4.17Å; F189-Y458 AromaticContact CG-CD1 3.55Å; F189-Y458 HydrophobicContact CG-CD1 3.55Å; F189-Y458 HydrophobicContact CG-CE1 4.02Å; F311-Y458 HydrophobicContact CE2-CG 4.42Å; T456-Y458 PolarHBondContact O-N 3.08Å; Y458-Q460 HydrophobicContact CD1-CG 4.25Å; Y458-Q460 HydrophobicContact CE1-CB 4.46Å; Y458-Q460 HydrophobicContact CE1-CG 3.62Å
459M80.4Confident84.3Confident154 Ų15491.5 Ų91.576%0.75946%0.462SS*.  trans-101.8112.5175-63.3-71.5-81.200107.4P457 D461P457-M459 PolarHBondContact O-N 3.47Å; M459-D461 PolarHBondContact O-N 2.98Å
460Q69.7Low83.2Confident91 Ų9191.6 Ų91.643%0.42547%0.465SS..  trans-64.3124.5165.4-83.8-179-36.900108A186 F189 Y458 K462A186-Q460 PolarHBondContact O-NE2 2.94Å; F189-Q460 HydrophobicContact CD1-CG 3.89Å; F189-Q460 HydrophobicContact CE1-CG 4.15Å; Y458-Q460 HydrophobicContact CD1-CG 4.25Å; Y458-Q460 HydrophobicContact CE1-CB 4.46Å; Y458-Q460 HydrophobicContact CE1-CG 3.62Å; Q460-K462 PolarHBondContact O-N 3.42Å
461D65.2Low82Confident143 Ų14398.5 Ų98.577%0.76550%0.5SS*.  trans-55.5117.5164.9-78-27.9000107.2M459 Q463M459-D461 PolarHBondContact O-N 2.98Å; D461-Q463 PolarHBondContact O-N 2.88Å
462K49.3Very low80.6Confident213 Ų213106.8 Ų106.893%0.92654%0.541SS*.  trans-67.989.6166.1-70.1-173.8179.4-177.20106.4Q460Q460-K462 PolarHBondContact O-N 3.42Å
463Q36.8Very low79Confident252 Ų252112.8 Ų112.8100%1.17857%0.571SS**  trans-70.60164.4-73.8-172.6-6.100110.3D461D461-Q463 PolarHBondContact O-N 2.88Å

Retrieved 463 of 463 residues in 419.8 ms (Link to these results)

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