A0A3Q0KBM9_SCHMA Loading...

Putative splicing factor 3a

AlphaFold DB , UniProt , Accession A0A3Q0KBM9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 518 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
1M60.7Low87.5Confident93 Ų9361.4 Ų61.446%0.45828%0.28SS..  0130.50-80.7-171.1-72.400107.2T3 R87 Q90 I91M1-T3 VanDerWaalsContact C-N 3.32Å; M1-T3 HydrophobicContact CB-CG2 4.31Å; M1-T3 PolarHBondContact O-N 3.24Å; M1-R87 HydrophobicContact CE-CB 3.26Å; M1-R87 HydrophobicContact CE-CG 3.43Å; M1-R87 VanDerWaalsContact CE-CG 3.43Å; M1-R87 HydrophobicContact SD-CB 4.11Å; M1-R87 HydrophobicContact SD-CG 3.81Å; M1-Q90 PolarHBondContact SD-OE1 3.17Å; M1-I91 HydrophobicContact CE-CD1 4.06Å; M1-I91 HydrophobicContact CE-CG1 4.23Å
2E72.9Confident88.2Confident150 Ų15062.1 Ų62.170%0.70128%0.283SS*.  trans-93.962.6-178.9-63.6-172.7148.100109.9
3T86.9Confident88.8Confident29 Ų2961.2 Ų61.218%0.17828%0.28CS..  trans-75.4152.717276.80000109.5M1 L5 E6 Q7 D71M1-T3 VanDerWaalsContact C-N 3.32Å; M1-T3 HydrophobicContact CB-CG2 4.31Å; M1-T3 PolarHBondContact O-N 3.24Å; T3-L5 PolarHBondContact O-N 2.91Å; T3-E6 PolarHBondContact O-N 2.94Å; T3-E6 VanDerWaalsContact O-N 3.1Å; T3-E6 PolarHBondContact OG1-N 3.1Å; T3-Q7 WeakPolarHBondContact O-CG 3.34Å; T3-Q7 PolarHBondContact O-N 2.72Å; T3-D71 WeakPolarHBondContact CB-OD2 3.05Å; T3-D71 PolarHBondContact OG1-OD2 2.85Å
4V91.4Very high89.2Confident18 Ų1857.7 Ų57.711%0.10926%0.264CS..Hα-helixtrans-59-39.3-178.7177.90000110.8Q7 Q8 L60 L67 R68V4-Q7 PolarHBondContact O-N 3.34Å; V4-Q8 HydrophobicContact CG1-CG 4.48Å; V4-Q8 WeakPolarHBondContact O-CB 3.33Å; V4-Q8 VanDerWaalsContact O-CG 3.3Å; V4-Q8 WeakPolarHBondContact O-CG 3.17Å; V4-Q8 PolarHBondContact O-N 3.46Å; V4-L60 HydrophobicContact CG1-CD2 4.36Å; V4-L67 HydrophobicContact CG2-CB 3.84Å; V4-R68 HydrophobicContact CG1-CB 3.87Å; V4-R68 HydrophobicContact CG1-CG 4.09Å
5L91Very high89.7Confident47 Ų4757.3 Ų57.325%0.24626%0.259CS..Hα-helixtrans-67-37.1177.5-65.4174.3000113T3 Q8 R9 R68 D71 I72 L75T3-L5 PolarHBondContact O-N 2.91Å; L5-Q8 PolarHBondContact O-N 3.3Å; L5-R9 WeakPolarHBondContact O-CB 2.88Å; L5-R9 PolarHBondContact O-N 3.12Å; L5-R68 HydrophobicContact CD2-CG 4.44Å; L5-D71 HydrophobicContact CD1-CB 4.4Å; L5-D71 HydrophobicContact CG-CB 4.46Å; L5-D71 WeakPolarHBondContact CG-OD2 3.37Å; L5-D71 PolarHBondContact N-OD2 2.96Å; L5-I72 HydrophobicContact CD1-CG1 3.95Å; L5-I72 HydrophobicContact CD2-CD1 4.39Å; L5-I72 HydrophobicContact CD2-CG1 4.01Å; L5-I72 HydrophobicContact CG-CG1 4.42Å; L5-L75 HydrophobicContact CD1-CD1 3.5Å; L5-L75 VanDerWaalsContact CD1-CD1 3.5Å
6E89.7Confident90.1Very high74 Ų7461.6 Ų61.635%0.34628%0.28SS..Hα-helixtrans-71.4-37.3175.8179.354.9-158.900111.5T3 R9 R10T3-E6 PolarHBondContact O-N 2.94Å; T3-E6 VanDerWaalsContact O-N 3.1Å; T3-E6 PolarHBondContact OG1-N 3.1Å; E6-R9 PolarHBondContact O-N 2.88Å; E6-R9 IonicContact OE1-CZ 3.72Å; E6-R9 IonicContact OE1-NE 3.45Å; E6-R9 PolarHBondContact OE1-NE 2.82Å; E6-R9 VanDerWaalsContact OE1-NE 3.13Å; E6-R9 IonicContact OE1-NH2 2.8Å; E6-R9 PolarHBondContact OE1-NH2 3.21Å; E6-R9 IonicContact OE2-CZ 3.7Å; E6-R9 IonicContact OE2-NE 2.72Å; E6-R9 PolarHBondContact OE2-NE 3.4Å; E6-R10 WeakPolarHBondContact O-CB 3.2Å; E6-R10 PolarHBondContact O-N 3.36Å
7Q92.4Very high90.4Very high39 Ų3962.8 Ų62.818%0.18228%0.282CS..Hα-helixtrans-60.6-47.5171.3-70.4175.9-3.600110.8T3 V4 R9 R10 I11 L60T3-Q7 WeakPolarHBondContact O-CG 3.34Å; T3-Q7 PolarHBondContact O-N 2.72Å; V4-Q7 PolarHBondContact O-N 3.34Å; Q7-R9 PolarHBondContact O-N 3.38Å; Q7-R10 PolarHBondContact O-N 3.33Å; Q7-I11 WeakPolarHBondContact O-CB 3.3Å; Q7-I11 WeakPolarHBondContact O-CD1 3.25Å; Q7-I11 VanDerWaalsContact O-CG1 3.25Å; Q7-I11 WeakPolarHBondContact O-CG1 3.16Å; Q7-I11 PolarHBondContact O-N 2.95Å; Q7-L60 HydrophobicContact CB-CD1 4.18Å
8Q94.6Very high90.7Very high8 Ų859.4 Ų59.44%0.03727%0.267CS..Hα-helixtrans-58.3-45.3175.4-74.2-176-15.700111.9V4 L5 I11 H12 L57 L60 R68V4-Q8 HydrophobicContact CG1-CG 4.48Å; V4-Q8 WeakPolarHBondContact O-CB 3.33Å; V4-Q8 VanDerWaalsContact O-CG 3.3Å; V4-Q8 WeakPolarHBondContact O-CG 3.17Å; V4-Q8 PolarHBondContact O-N 3.46Å; L5-Q8 PolarHBondContact O-N 3.3Å; Q8-I11 PolarHBondContact O-N 3.44Å; Q8-H12 PolarHBondContact O-CD2 3.42Å; Q8-H12 PolarHBondContact O-N 3.4Å; Q8-L57 HydrophobicContact CB-CD1 4.28Å; Q8-L57 HydrophobicContact CG-CD1 4.13Å; Q8-L60 HydrophobicContact CG-CB 4.13Å; Q8-L60 HydrophobicContact CG-CD1 4.17Å; Q8-L60 PolarHBondContact NE2-O 2.74Å; Q8-R68 VanDerWaalsContact NE2-CD 3.34Å
9R94Very high91Very high121 Ų12160.2 Ų60.246%0.45727%0.273SS..Hα-helixtrans-60-49176.8-171-156.569.671.72111.4L5 E6 Q7 I11 H12 E13L5-R9 WeakPolarHBondContact O-CB 2.88Å; L5-R9 PolarHBondContact O-N 3.12Å; E6-R9 PolarHBondContact O-N 2.88Å; E6-R9 IonicContact OE1-CZ 3.72Å; E6-R9 IonicContact OE1-NE 3.45Å; E6-R9 PolarHBondContact OE1-NE 2.82Å; E6-R9 VanDerWaalsContact OE1-NE 3.13Å; E6-R9 IonicContact OE1-NH2 2.8Å; E6-R9 PolarHBondContact OE1-NH2 3.21Å; E6-R9 IonicContact OE2-CZ 3.7Å; E6-R9 IonicContact OE2-NE 2.72Å; E6-R9 PolarHBondContact OE2-NE 3.4Å; Q7-R9 PolarHBondContact O-N 3.38Å; R9-I11 PolarHBondContact O-N 3.06Å; R9-H12 PolarHBondContact O-N 3.24Å; R9-E13 IonicContact CZ-OE2 3.35Å; R9-E13 IonicContact NH1-OE2 2.76Å; R9-E13 PolarHBondContact NH1-OE2 2.96Å; R9-E13 IonicContact NH2-OE2 3.05Å; R9-E13 PolarHBondContact O-N 3.03Å
10R93.2Very high91.2Very high95 Ų9561.2 Ų61.236%0.35828%0.28SS..Hα-helixtrans-59.2-46.2179-176.9-177.369.8-1581.4111.3E6 Q7 E13 E14E6-R10 WeakPolarHBondContact O-CB 3.2Å; E6-R10 PolarHBondContact O-N 3.36Å; Q7-R10 PolarHBondContact O-N 3.33Å; R10-E13 PolarHBondContact O-N 2.73Å; R10-E14 PolarHBondContact O-N 2.71Å
11I95.4Very high91.4Very high1 Ų158.9 Ų58.91%0.00527%0.27CS..Hα-helixtrans-64.1-42.8178.7-74165.1000111.7Q7 Q8 R9 E13 E14 R15 V53 E56 L57 L60Q7-I11 WeakPolarHBondContact O-CB 3.3Å; Q7-I11 WeakPolarHBondContact O-CD1 3.25Å; Q7-I11 VanDerWaalsContact O-CG1 3.25Å; Q7-I11 WeakPolarHBondContact O-CG1 3.16Å; Q7-I11 PolarHBondContact O-N 2.95Å; Q8-I11 PolarHBondContact O-N 3.44Å; R9-I11 PolarHBondContact O-N 3.06Å; I11-E13 VanDerWaalsContact C-N 3.35Å; I11-E13 PolarHBondContact O-N 3.39Å; I11-E14 PolarHBondContact O-N 3.33Å; I11-R15 WeakPolarHBondContact O-CG 3.44Å; I11-R15 PolarHBondContact O-N 3.16Å; I11-V53 HydrophobicContact CB-CG1 4.25Å; I11-V53 HydrophobicContact CG1-CG1 4.44Å; I11-V53 HydrophobicContact CG2-CG1 3.45Å; I11-V53 VanDerWaalsContact CG2-CG1 3.45Å; I11-V53 WeakPolarHBondContact CG2-O 3.37Å; I11-E56 HydrophobicContact CD1-CG 3.9Å; I11-L57 HydrophobicContact CB-CD1 4.31Å; I11-L57 HydrophobicContact CG2-CB 3.57Å; I11-L57 HydrophobicContact CG2-CD1 3.78Å; I11-L57 HydrophobicContact CG2-CD2 4.06Å; I11-L57 HydrophobicContact CG2-CG 3.98Å; I11-L60 HydrophobicContact CD1-CD1 3.52Å
12H96.8Very high93Very high70 Ų7055.7 Ų55.732%0.32425%0.254SS..Hα-helixtrans-61-43.8174.1-85-68.3000112.2Q8 R9 E14 R15 E16 L57 Y61Q8-H12 PolarHBondContact O-CD2 3.42Å; Q8-H12 PolarHBondContact O-N 3.4Å; R9-H12 PolarHBondContact O-N 3.24Å; H12-E14 VanDerWaalsContact C-N 3.31Å; H12-E14 PolarHBondContact O-N 2.81Å; H12-R15 PolarHBondContact O-N 3.01Å; H12-E16 PolarHBondContact O-N 3.04Å; H12-L57 VanDerWaalsContact CE1-CD2 3.46Å; H12-L57 WeakPolarHBondContact CE1-CD2 3.36Å; H12-Y61 AromaticContact NE2-CE2 3.63Å; H12-Y61 AromaticContact NE2-CZ 3.72Å; H12-Y61 PolarHBondContact NE2-OH 2.93Å
13E95Very high94.1Very high50 Ų5051.8 Ų51.823%0.23424%0.241CC..Hα-helixtrans-62-40.2176-172.8-165.4161.800111R9 R10 I11 E16 R17 M106R9-E13 IonicContact CZ-OE2 3.35Å; R9-E13 IonicContact NH1-OE2 2.76Å; R9-E13 PolarHBondContact NH1-OE2 2.96Å; R9-E13 IonicContact NH2-OE2 3.05Å; R9-E13 PolarHBondContact O-N 3.03Å; R10-E13 PolarHBondContact O-N 2.73Å; I11-E13 VanDerWaalsContact C-N 3.35Å; I11-E13 PolarHBondContact O-N 3.39Å; E13-E16 PolarHBondContact O-N 3.34Å; E13-R17 WeakPolarHBondContact O-CG 3.38Å; E13-R17 PolarHBondContact O-N 3.42Å; E13-R17 IonicContact OE1-CZ 2.78Å; E13-R17 IonicContact OE1-NE 2.8Å; E13-R17 PolarHBondContact OE1-NE 3.34Å; E13-R17 IonicContact OE1-NH2 3.05Å; E13-R17 PolarHBondContact OE1-NH2 3.04Å; E13-M106 HydrophobicContact CB-CE 3.52Å; E13-M106 HydrophobicContact CG-CE 3.25Å
14E95.5Very high94.5Very high13 Ų1355.2 Ų55.26%0.06125%0.254CS..Hα-helixtrans-63.4-44.8177.3-167.2176.8170.700111.7R10 I11 H12 E16 R17 L18 R49 V53 M106 F110R10-E14 PolarHBondContact O-N 2.71Å; I11-E14 PolarHBondContact O-N 3.33Å; H12-E14 VanDerWaalsContact C-N 3.31Å; H12-E14 PolarHBondContact O-N 2.81Å; E14-E16 VanDerWaalsContact C-N 3.32Å; E14-E16 PolarHBondContact O-N 3.45Å; E14-R17 PolarHBondContact O-N 3.44Å; E14-L18 HydrophobicContact CG-CD1 4.1Å; E14-L18 WeakPolarHBondContact O-CB 3.21Å; E14-L18 WeakPolarHBondContact O-CG 3.42Å; E14-L18 PolarHBondContact O-N 3.33Å; E14-R49 VanDerWaalsContact CD-NH2 3.3Å; E14-R49 IonicContact OE1-CZ 3.17Å; E14-R49 IonicContact OE1-NE 3.89Å; E14-R49 PolarHBondContact OE1-NE 3.1Å; E14-R49 IonicContact OE1-NH2 3.87Å; E14-R49 PolarHBondContact OE1-NH2 3.26Å; E14-R49 IonicContact OE2-NH2 3.9Å; E14-R49 PolarHBondContact OE2-NH2 2.97Å; E14-R49 VanDerWaalsContact OE2-NH2 3.08Å; E14-V53 HydrophobicContact CB-CG1 4.39Å; E14-M106 HydrophobicContact CB-CE 4.03Å; E14-M106 HydrophobicContact CB-SD 3.59Å; E14-M106 VanDerWaalsContact CB-SD 3.59Å; E14-M106 HydrophobicContact CG-SD 3.87Å; E14-F110 HydrophobicContact CG-CZ 4.11Å
15R96.7Very high94.6Very high52 Ų5254.4 Ų54.420%0.19625%0.249CC..Hα-helixtrans-58-43.9175.4-72.3174.771.1-131.2-4.2111.9I11 H12 L18 I19 Y50 V53 T54I11-R15 WeakPolarHBondContact O-CG 3.44Å; I11-R15 PolarHBondContact O-N 3.16Å; H12-R15 PolarHBondContact O-N 3.01Å; R15-L18 PolarHBondContact O-N 3.46Å; R15-I19 VanDerWaalsContact O-CG1 3.3Å; R15-I19 WeakPolarHBondContact O-CG1 3.46Å; R15-I19 PolarHBondContact O-N 3.4Å; R15-Y50 HydrophobicContact CB-CD2 4.24Å; R15-Y50 HydrophobicContact CB-CE2 3.83Å; R15-Y50 HydrophobicContact CG-CD2 4.33Å; R15-Y50 HydrophobicContact CG-CE2 4.11Å; R15-Y50 PolarHBondContact NH2-OH 3.42Å; R15-V53 HydrophobicContact CG-CG1 3.74Å; R15-T54 PolarHBondContact NE-OG1 2.91Å
16E96.1Very high94.7Very high126 Ų12659.1 Ų59.159%0.58927%0.271SS*.Hα-helixtrans-66.4-41.2178.9-169.1174.6168.600111.7H12 E13 E14 I19 N20H12-E16 PolarHBondContact O-N 3.04Å; E13-E16 PolarHBondContact O-N 3.34Å; E14-E16 VanDerWaalsContact C-N 3.32Å; E14-E16 PolarHBondContact O-N 3.45Å; E16-I19 PolarHBondContact O-N 2.6Å; E16-N20 VanDerWaalsContact O-CG 3.3Å; E16-N20 PolarHBondContact O-N 3.13Å; E16-N20 PolarHBondContact O-ND2 3.36Å
17R95.1Very high95Very high81 Ų8162.3 Ų62.331%0.30629%0.29SS..Hα-helixtrans-65.7-40.1175.4-70-173.9-172.4-80-1.7112.7E13 E14 N20 E21 M106 F110E13-R17 WeakPolarHBondContact O-CG 3.38Å; E13-R17 PolarHBondContact O-N 3.42Å; E13-R17 IonicContact OE1-CZ 2.78Å; E13-R17 IonicContact OE1-NE 2.8Å; E13-R17 PolarHBondContact OE1-NE 3.34Å; E13-R17 IonicContact OE1-NH2 3.05Å; E13-R17 PolarHBondContact OE1-NH2 3.04Å; E14-R17 PolarHBondContact O-N 3.44Å; R17-N20 PolarHBondContact O-N 3.37Å; R17-E21 PolarHBondContact O-N 2.78Å; R17-M106 HydrophobicContact CG-CE 4.44Å; R17-F110 VanDerWaalsContact C-CE1 3.48Å; R17-F110 HydrophobicContact CB-CD1 3.85Å; R17-F110 HydrophobicContact CB-CD2 3.66Å; R17-F110 HydrophobicContact CB-CE1 3.58Å; R17-F110 HydrophobicContact CB-CE2 3.4Å; R17-F110 VanDerWaalsContact CB-CE2 3.4Å; R17-F110 HydrophobicContact CB-CG 3.89Å; R17-F110 HydrophobicContact CB-CZ 3.35Å; R17-F110 VanDerWaalsContact CD-CD2 3.43Å; R17-F110 VanDerWaalsContact CD-CE2 3.49Å; R17-F110 HydrophobicContact CG-CD2 4.15Å; R17-F110 HydrophobicContact CG-CE2 4.09Å; R17-F110 HydrophobicContact CG-CZ 4.47Å
18L95.7Very high94.9Very high2 Ų264 Ų641%0.0130%0.295CS..Hα-helixtrans-60.7-45.9173.7-74.9162.5000111.4E14 R15 N20 E21 L22 M46 R49 Y50 F110E14-L18 HydrophobicContact CG-CD1 4.1Å; E14-L18 WeakPolarHBondContact O-CB 3.21Å; E14-L18 WeakPolarHBondContact O-CG 3.42Å; E14-L18 PolarHBondContact O-N 3.33Å; R15-L18 PolarHBondContact O-N 3.46Å; L18-N20 VanDerWaalsContact C-N 3.29Å; L18-N20 PolarHBondContact O-N 3.34Å; L18-E21 PolarHBondContact O-N 3.46Å; L18-L22 VanDerWaalsContact O-CB 3.25Å; L18-L22 WeakPolarHBondContact O-CB 3.43Å; L18-L22 WeakPolarHBondContact O-CD1 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.39Å; L18-L22 PolarHBondContact O-N 3.18Å; L18-M46 HydrophobicContact CD2-CB 4.21Å; L18-M46 HydrophobicContact CD2-CG 4.33Å; L18-R49 HydrophobicContact CD1-CB 4.35Å; L18-R49 HydrophobicContact CD1-CG 3.86Å; L18-R49 HydrophobicContact CD2-CB 4.22Å; L18-R49 HydrophobicContact CD2-CG 4.1Å; L18-Y50 HydrophobicContact CB-CD2 4.1Å; L18-Y50 HydrophobicContact CD1-CD2 4.44Å; L18-F110 HydrophobicContact CB-CE1 4.35Å; L18-F110 HydrophobicContact CD2-CE1 3.76Å; L18-F110 HydrophobicContact CD2-CZ 4.25Å; L18-F110 HydrophobicContact CG-CE1 3.73Å; L18-F110 HydrophobicContact CG-CZ 3.93Å
19I95.9Very high94.7Very high75 Ų7570 Ų7039%0.38533%0.328SS..Hα-helixtrans-59-42.7175.4-70165.6000110.9R15 E16 T23 Y50R15-I19 VanDerWaalsContact O-CG1 3.3Å; R15-I19 WeakPolarHBondContact O-CG1 3.46Å; R15-I19 PolarHBondContact O-N 3.4Å; E16-I19 PolarHBondContact O-N 2.6Å; I19-T23 WeakPolarHBondContact O-CB 3.37Å; I19-T23 PolarHBondContact O-N 3.26Å; I19-T23 PolarHBondContact O-OG1 3.14Å; I19-Y50 HydrophobicContact CD1-CE2 3.62Å; I19-Y50 HydrophobicContact CG1-CD2 4.13Å; I19-Y50 HydrophobicContact CG1-CE2 3.6Å
20N95.2Very high94.4Very high79 Ų7965.7 Ų65.742%0.42232%0.315SS..Hα-helixtrans-64.6-46.6179.3-74.3-32.6000112.3E16 R17 L18 T23 K24E16-N20 VanDerWaalsContact O-CG 3.3Å; E16-N20 PolarHBondContact O-N 3.13Å; E16-N20 PolarHBondContact O-ND2 3.36Å; R17-N20 PolarHBondContact O-N 3.37Å; L18-N20 VanDerWaalsContact C-N 3.29Å; L18-N20 PolarHBondContact O-N 3.34Å; N20-T23 PolarHBondContact O-N 3.43Å; N20-K24 WeakPolarHBondContact O-CG 3.1Å; N20-K24 PolarHBondContact O-N 3.29Å
21E94.4Very high94.2Very high13 Ų1366.8 Ų66.86%0.06133%0.332CS..Hα-helixtrans-70.5-37.1177.6-71.3-49.1128.900112.7R17 L18 T23 K24 E25 M46 F110 R117R17-E21 PolarHBondContact O-N 2.78Å; L18-E21 PolarHBondContact O-N 3.46Å; E21-T23 VanDerWaalsContact C-N 3.29Å; E21-T23 PolarHBondContact O-N 2.82Å; E21-K24 PolarHBondContact O-N 3.33Å; E21-K24 WeakPolarHBondContact OE1-CD 3.35Å; E21-K24 IonicContact OE1-NZ 3.53Å; E21-K24 PolarHBondContact OE1-NZ 3.31Å; E21-E25 VanDerWaalsContact O-CB 3.31Å; E21-E25 WeakPolarHBondContact O-CB 3.43Å; E21-E25 PolarHBondContact O-N 2.79Å; E21-M46 HydrophobicContact CB-SD 3.7Å; E21-F110 HydrophobicContact CB-CD1 4.28Å; E21-F110 HydrophobicContact CG-CB 3.91Å; E21-F110 HydrophobicContact CG-CD1 3.62Å; E21-F110 HydrophobicContact CG-CG 4.21Å; E21-R117 IonicContact OE2-CZ 2.71Å; E21-R117 IonicContact OE2-NH1 3.89Å; E21-R117 IonicContact OE2-NH2 3.96Å; E21-R117 PolarHBondContact OE2-NH2 3.06Å
22L95Very high93.9Very high26 Ų2668.4 Ų68.414%0.13634%0.342CS..Hα-helixtrans-55-46.8169.6-79.6166.2000110.8L18 K24 E25 M26 L43 M46L18-L22 VanDerWaalsContact O-CB 3.25Å; L18-L22 WeakPolarHBondContact O-CB 3.43Å; L18-L22 WeakPolarHBondContact O-CD1 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.39Å; L18-L22 PolarHBondContact O-N 3.18Å; L22-K24 PolarHBondContact O-N 2.83Å; L22-E25 PolarHBondContact O-N 3.12Å; L22-M26 VanDerWaalsContact O-CG 3.29Å; L22-M26 WeakPolarHBondContact O-CG 3.22Å; L22-M26 PolarHBondContact O-N 2.6Å; L22-L43 HydrophobicContact CD2-CD2 3.8Å; L22-M46 HydrophobicContact CD1-CB 4.45Å; L22-M46 HydrophobicContact CD2-CB 3.57Å; L22-M46 HydrophobicContact CD2-CE 4.12Å; L22-M46 HydrophobicContact CD2-SD 4.43Å; L22-M46 HydrophobicContact CG-CB 3.81Å; L22-M46 HydrophobicContact CG-SD 4.32Å
23T96Very high93.5Very high68 Ų6868.2 Ų68.242%0.41734%0.341SS..Hα-helixtrans-62.3-45178.8-56.60000111.2I19 N20 E21 E25 M26 L27I19-T23 WeakPolarHBondContact O-CB 3.37Å; I19-T23 PolarHBondContact O-N 3.26Å; I19-T23 PolarHBondContact O-OG1 3.14Å; N20-T23 PolarHBondContact O-N 3.43Å; E21-T23 VanDerWaalsContact C-N 3.29Å; E21-T23 PolarHBondContact O-N 2.82Å; T23-E25 VanDerWaalsContact C-N 3.33Å; T23-E25 PolarHBondContact O-N 2.97Å; T23-M26 PolarHBondContact O-N 2.89Å; T23-L27 HydrophobicContact CG2-CD1 4.03Å; T23-L27 WeakPolarHBondContact O-CB 3.49Å; T23-L27 VanDerWaalsContact O-CG 3.24Å; T23-L27 WeakPolarHBondContact O-CG 3.49Å; T23-L27 PolarHBondContact O-N 2.81Å
24K95.3Very high93.2Very high102 Ų10270.6 Ų70.644%0.44335%0.348SS..Hα-helixtrans-63.4-39.8177.3-71171.6-172.5171.50112.2N20 E21 L22 L27 Y28N20-K24 WeakPolarHBondContact O-CG 3.1Å; N20-K24 PolarHBondContact O-N 3.29Å; E21-K24 PolarHBondContact O-N 3.33Å; E21-K24 WeakPolarHBondContact OE1-CD 3.35Å; E21-K24 IonicContact OE1-NZ 3.53Å; E21-K24 PolarHBondContact OE1-NZ 3.31Å; L22-K24 PolarHBondContact O-N 2.83Å; K24-L27 PolarHBondContact O-N 3.31Å; K24-Y28 PolarHBondContact O-N 2.87Å
25E93.9Very high92.9Very high1 Ų172 Ų721%0.00536%0.355CS..Hα-helixtrans-67.4-39.8177.9-167.965.5-147.800111.6E21 L22 T23 L27 Y28 S39 R42 L43 M46 R117E21-E25 VanDerWaalsContact O-CB 3.31Å; E21-E25 WeakPolarHBondContact O-CB 3.43Å; E21-E25 PolarHBondContact O-N 2.79Å; L22-E25 PolarHBondContact O-N 3.12Å; T23-E25 VanDerWaalsContact C-N 3.33Å; T23-E25 PolarHBondContact O-N 2.97Å; E25-L27 VanDerWaalsContact C-N 3.32Å; E25-L27 PolarHBondContact O-N 2.84Å; E25-Y28 WeakPolarHBondContact O-CB 3.2Å; E25-Y28 PolarHBondContact O-N 2.92Å; E25-S39 WeakPolarHBondContact OE1-CA 3.31Å; E25-S39 VanDerWaalsContact OE1-CB 3.28Å; E25-S39 WeakPolarHBondContact OE1-CB 3.31Å; E25-S39 PolarHBondContact OE1-OG 3.4Å; E25-R42 IonicContact OE1-CZ 2.94Å; E25-R42 VanDerWaalsContact OE1-CZ 3.24Å; E25-R42 IonicContact OE1-NE 2.77Å; E25-R42 PolarHBondContact OE1-NE 2.97Å; E25-R42 IonicContact OE1-NH2 3.58Å; E25-R42 PolarHBondContact OE1-NH2 3.33Å; E25-R42 IonicContact OE2-NE 2.95Å; E25-R42 PolarHBondContact OE2-NE 3.17Å; E25-R42 IonicContact OE2-NH2 3.13Å; E25-L43 HydrophobicContact CB-CD2 3.68Å; E25-L43 HydrophobicContact CB-CG 4.38Å; E25-L43 HydrophobicContact CG-CD2 3.63Å; E25-L43 HydrophobicContact CG-CG 3.76Å; E25-M46 HydrophobicContact CB-CE 3.8Å; E25-M46 HydrophobicContact CG-CE 3.88Å; E25-R117 WeakPolarHBondContact OE2-CD 3.36Å; E25-R117 IonicContact OE2-CZ 2.89Å; E25-R117 IonicContact OE2-NE 3.36Å; E25-R117 IonicContact OE2-NH1 3.75Å; E25-R117 PolarHBondContact OE2-NH1 3.29Å
26M93.7Very high92.6Very high145 Ų14575 Ų7571%0.71437%0.369SS*.Hα-helixtrans-68.7-28174.4-70.2-178.273.400113.6L22 T23 L43L22-M26 VanDerWaalsContact O-CG 3.29Å; L22-M26 WeakPolarHBondContact O-CG 3.22Å; L22-M26 PolarHBondContact O-N 2.6Å; T23-M26 PolarHBondContact O-N 2.89Å; M26-L43 HydrophobicContact CG-CD1 4.33Å; M26-L43 HydrophobicContact CG-CD2 3.75Å
27L94.3Very high92.5Very high142 Ų14269.3 Ų69.374%0.74334%0.343SS*.Hα-helixtrans-81.8-17.7175.4-71.1172.6000112.7T23 K24 E25T23-L27 HydrophobicContact CG2-CD1 4.03Å; T23-L27 WeakPolarHBondContact O-CB 3.49Å; T23-L27 VanDerWaalsContact O-CG 3.24Å; T23-L27 WeakPolarHBondContact O-CG 3.49Å; T23-L27 PolarHBondContact O-N 2.81Å; K24-L27 PolarHBondContact O-N 3.31Å; E25-L27 VanDerWaalsContact C-N 3.32Å; E25-L27 PolarHBondContact O-N 2.84Å
28Y91.1Very high92.3Very high73 Ų7365.9 Ų65.929%0.28633%0.331SS..  trans-71.5135.1176.3178.9-102.5000110K24 E25 P30 R117K24-Y28 PolarHBondContact O-N 2.87Å; E25-Y28 WeakPolarHBondContact O-CB 3.2Å; E25-Y28 PolarHBondContact O-N 2.92Å; Y28-P30 HydrophobicContact CD1-CB 4.46Å; Y28-P30 HydrophobicContact CE1-CB 4.1Å; Y28-P30 WeakPolarHBondContact O-CD 3.45Å; Y28-R117 HydrophobicContact CD1-CG 4.01Å; Y28-R117 HydrophobicContact CD2-CG 3.74Å; Y28-R117 HydrophobicContact CE1-CG 4.21Å; Y28-R117 HydrophobicContact CE2-CG 3.95Å; Y28-R117 HydrophobicContact CG-CG 3.76Å
29N90.2Very high92.1Very high136 Ų13666.1 Ų66.173%0.72733%0.333SS*.  trans-105.194.3-179-168.732.6000109.9
30P88.4Confident92Very high30 Ų3064.8 Ų64.820%0.19533%0.325CS..  trans-65.4136.6178.426.9-33.7000110.6Y28 E35 K36Y28-P30 HydrophobicContact CD1-CB 4.46Å; Y28-P30 HydrophobicContact CE1-CB 4.1Å; Y28-P30 WeakPolarHBondContact O-CD 3.45Å; P30-E35 HydrophobicContact CB-CB 3.71Å; P30-K36 HydrophobicContact CB-CB 4.03Å; P30-K36 HydrophobicContact CG-CB 3.84Å; P30-K36 HydrophobicContact CG-CG 4.06Å
31T88.9Confident91.8Very high117 Ų11762.3 Ų62.372%0.71831%0.311SS*.  trans-92.7-38-175.762.90000112E35T31-E35 PolarHBondContact N-OE2 3.08Å; T31-E35 PolarHBondContact OG1-OE2 3.27Å
32T88.4Confident91.6Very high35 Ų3562.6 Ų62.622%0.21531%0.312CS..SBendtrans-100.9156.8-177.871.10000112R34 E35 K36 A378T32-R34 PolarHBondContact O-N 3.39Å; T32-E35 PolarHBondContact N-OE2 3.33Å; T32-E35 VanDerWaalsContact N-OE2 3.17Å; T32-E35 PolarHBondContact O-N 2.94Å; T32-E35 WeakPolarHBondContact OG1-CB 3.32Å; T32-E35 VanDerWaalsContact OG1-CG 3.24Å; T32-E35 WeakPolarHBondContact OG1-CG 3.39Å; T32-E35 PolarHBondContact OG1-N 3.11Å; T32-E35 VanDerWaalsContact OG1-N 3.07Å; T32-K36 PolarHBondContact O-N 3.29Å; T32-A378 WeakPolarHBondContact CG2-O 3.45Å
33H89Confident91.6Very high66 Ų6662.8 Ų62.831%0.30631%0.313SS..Hα-helixtrans-53.5-42.5172180-89.3000111.9K36 L37 Y136H33-K36 PolarHBondContact O-N 3.43Å; H33-L37 WeakPolarHBondContact O-CB 3.27Å; H33-L37 PolarHBondContact O-N 2.94Å; H33-Y136 PolarHBondContact CE1-O 3.14Å
34R88.6Confident91.5Very high101 Ų10162.7 Ų62.738%0.38131%0.305SS..Hα-helixtrans-63.7-46179.6-170.3176.371.3137.5-0.4111.5T32 K36 L37 N38 Y136T32-R34 PolarHBondContact O-N 3.39Å; R34-K36 VanDerWaalsContact C-N 3.35Å; R34-L37 PolarHBondContact O-N 3.34Å; R34-N38 WeakPolarHBondContact O-CB 3.47Å; R34-N38 PolarHBondContact O-N 3.45Å; R34-N38 PolarHBondContact O-ND2 2.99Å; R34-Y136 HydrophobicContact CB-CD1 4.12Å; R34-Y136 HydrophobicContact CB-CE1 4.26Å; R34-Y136 HydrophobicContact CG-CD1 3.71Å; R34-Y136 HydrophobicContact CG-CD2 4.29Å; R34-Y136 HydrophobicContact CG-CE1 3.49Å; R34-Y136 VanDerWaalsContact CG-CE1 3.49Å; R34-Y136 HydrophobicContact CG-CE2 4.09Å; R34-Y136 HydrophobicContact CG-CG 4.1Å
35E88.4Confident91.3Very high43 Ų4361.1 Ų61.120%0.20130%0.301CS..Hα-helixtrans-62.1-42.6175.7-77.5168.7-175.900112.1P30 T31 T32 N38 S39P30-E35 HydrophobicContact CB-CB 3.71Å; T31-E35 PolarHBondContact N-OE2 3.08Å; T31-E35 PolarHBondContact OG1-OE2 3.27Å; T32-E35 PolarHBondContact N-OE2 3.33Å; T32-E35 VanDerWaalsContact N-OE2 3.17Å; T32-E35 PolarHBondContact O-N 2.94Å; T32-E35 WeakPolarHBondContact OG1-CB 3.32Å; T32-E35 VanDerWaalsContact OG1-CG 3.24Å; T32-E35 WeakPolarHBondContact OG1-CG 3.39Å; T32-E35 PolarHBondContact OG1-N 3.11Å; T32-E35 VanDerWaalsContact OG1-N 3.07Å; E35-N38 PolarHBondContact O-N 3.24Å; E35-S39 WeakPolarHBondContact O-CB 3.24Å; E35-S39 PolarHBondContact O-N 3.01Å
36K91.7Very high91.3Very high114 Ų11461.1 Ų61.150%0.49630%0.301SS..Hα-helixtrans-60.7-50.6178.8-175.3-177.8175.7-173.10110.7P30 T32 H33 R34 N38 S39 E40P30-K36 HydrophobicContact CB-CB 4.03Å; P30-K36 HydrophobicContact CG-CB 3.84Å; P30-K36 HydrophobicContact CG-CG 4.06Å; T32-K36 PolarHBondContact O-N 3.29Å; H33-K36 PolarHBondContact O-N 3.43Å; R34-K36 VanDerWaalsContact C-N 3.35Å; K36-N38 VanDerWaalsContact C-N 3.33Å; K36-N38 PolarHBondContact O-N 2.93Å; K36-S39 WeakPolarHBondContact O-CB 3.08Å; K36-S39 PolarHBondContact O-N 3.4Å; K36-S39 VanDerWaalsContact O-N 3.16Å; K36-E40 WeakPolarHBondContact CE-OE1 3.41Å; K36-E40 WeakPolarHBondContact O-CG 3.36Å; K36-E40 PolarHBondContact O-N 3.49Å
37L92.4Very high91.3Very high7 Ų760.4 Ų60.44%0.03729%0.291CS..Hα-helixtrans-63.5-39.9-179.6-174.459.9000112.3H33 R34 S39 E40 L41 I128 F130 Y136 A200 P202H33-L37 WeakPolarHBondContact O-CB 3.27Å; H33-L37 PolarHBondContact O-N 2.94Å; R34-L37 PolarHBondContact O-N 3.34Å; L37-S39 VanDerWaalsContact C-N 3.34Å; L37-S39 PolarHBondContact O-N 3.49Å; L37-E40 PolarHBondContact O-N 3.18Å; L37-L41 PolarHBondContact O-N 3.38Å; L37-I128 HydrophobicContact CD1-CD1 4.11Å; L37-I128 HydrophobicContact CD2-CD1 4.04Å; L37-I128 HydrophobicContact CG-CD1 3.62Å; L37-F130 HydrophobicContact CD2-CD2 4.48Å; L37-F130 HydrophobicContact CD2-CE2 3.43Å; L37-F130 VanDerWaalsContact CD2-CE2 3.43Å; L37-F130 HydrophobicContact CD2-CZ 3.75Å; L37-Y136 HydrophobicContact CB-CD1 4.45Å; L37-Y136 HydrophobicContact CB-CE1 4.29Å; L37-Y136 HydrophobicContact CD2-CD1 3.73Å; L37-Y136 HydrophobicContact CD2-CE1 3.9Å; L37-Y136 WeakPolarHBondContact CD2-O 3.42Å; L37-Y136 HydrophobicContact CG-CE1 4.38Å; L37-A200 WeakPolarHBondContact CD1-O 3.4Å; L37-P202 HydrophobicContact CD1-CG 4.46Å
38N91.1Very high91.3Very high9 Ų956 Ų565%0.04827%0.268CS..Hα-helixtrans-65.3-36.7174.7-73.4-15.3000112.7R34 E35 K36 L41 R42 Y136R34-N38 WeakPolarHBondContact O-CB 3.47Å; R34-N38 PolarHBondContact O-N 3.45Å; R34-N38 PolarHBondContact O-ND2 2.99Å; E35-N38 PolarHBondContact O-N 3.24Å; K36-N38 VanDerWaalsContact C-N 3.33Å; K36-N38 PolarHBondContact O-N 2.93Å; N38-L41 PolarHBondContact O-N 3.38Å; N38-R42 WeakPolarHBondContact O-CG 3.09Å; N38-R42 PolarHBondContact O-N 2.84Å; N38-Y136 VanDerWaalsContact CG-OH 3.29Å; N38-Y136 PolarHBondContact ND2-OH 3.41Å; N38-Y136 PolarHBondContact OD1-OH 2.9Å
39S91.9Very high91.5Very high7 Ų757.2 Ų57.25%0.04927%0.272CS..Hα-helixtrans-62.7-46.2173.4-173.60000111E25 E35 K36 L37 L41 R42 L43E25-S39 WeakPolarHBondContact OE1-CA 3.31Å; E25-S39 VanDerWaalsContact OE1-CB 3.28Å; E25-S39 WeakPolarHBondContact OE1-CB 3.31Å; E25-S39 PolarHBondContact OE1-OG 3.4Å; E35-S39 WeakPolarHBondContact O-CB 3.24Å; E35-S39 PolarHBondContact O-N 3.01Å; K36-S39 WeakPolarHBondContact O-CB 3.08Å; K36-S39 PolarHBondContact O-N 3.4Å; K36-S39 VanDerWaalsContact O-N 3.16Å; L37-S39 VanDerWaalsContact C-N 3.34Å; L37-S39 PolarHBondContact O-N 3.49Å; S39-L41 VanDerWaalsContact C-N 3.32Å; S39-L41 PolarHBondContact O-N 2.92Å; S39-R42 PolarHBondContact O-N 3.22Å; S39-R42 VanDerWaalsContact O-N 3.16Å; S39-L43 WeakPolarHBondContact O-CG 3.39Å; S39-L43 PolarHBondContact O-N 3.07Å
40E93.2Very high91.8Very high46 Ų4653.3 Ų53.322%0.21525%0.248CC..Hα-helixtrans-59.7-40175.6-66.7-176.9-170.400112.4K36 L37 L43 R44 P202 I203K36-E40 WeakPolarHBondContact CE-OE1 3.41Å; K36-E40 WeakPolarHBondContact O-CG 3.36Å; K36-E40 PolarHBondContact O-N 3.49Å; L37-E40 PolarHBondContact O-N 3.18Å; E40-L43 WeakPolarHBondContact O-CB 3.35Å; E40-L43 PolarHBondContact O-N 3.4Å; E40-R44 PolarHBondContact O-N 2.75Å; E40-P202 HydrophobicContact CB-CG 3.8Å; E40-I203 HydrophobicContact CB-CD1 3.8Å; E40-I203 HydrophobicContact CB-CG1 4.1Å; E40-I203 HydrophobicContact CG-CD1 3.65Å; E40-I203 HydrophobicContact CG-CG1 4.46Å
41L91.7Very high92.2Very high27 Ų2756.9 Ų56.914%0.14126%0.26CS..Hα-helixtrans-63.6-46.5173.7-179.671.3000111.8L37 N38 S39 L43 R44 L45 V126 I128 P202L37-L41 PolarHBondContact O-N 3.38Å; N38-L41 PolarHBondContact O-N 3.38Å; S39-L41 VanDerWaalsContact C-N 3.32Å; S39-L41 PolarHBondContact O-N 2.92Å; L41-L43 VanDerWaalsContact C-N 3.29Å; L41-L43 PolarHBondContact O-N 2.94Å; L41-R44 WeakPolarHBondContact O-CB 3.44Å; L41-R44 PolarHBondContact O-N 3.46Å; L41-R44 VanDerWaalsContact O-N 3.14Å; L41-L45 HydrophobicContact CD2-CD1 4.49Å; L41-L45 HydrophobicContact CG-CD1 4.14Å; L41-L45 HydrophobicContact CG-CG 4.41Å; L41-L45 WeakPolarHBondContact O-CG 3.44Å; L41-L45 PolarHBondContact O-N 3Å; L41-V126 HydrophobicContact CD2-CG1 3.97Å; L41-I128 HydrophobicContact CB-CD1 3.82Å; L41-I128 HydrophobicContact CB-CG1 4.17Å; L41-I128 HydrophobicContact CD1-CD1 4.35Å; L41-I128 HydrophobicContact CD1-CG1 4.41Å; L41-I128 HydrophobicContact CD2-CD1 4.07Å; L41-I128 HydrophobicContact CD2-CG1 3.46Å; L41-I128 VanDerWaalsContact CD2-CG1 3.46Å; L41-I128 HydrophobicContact CG-CD1 4.27Å; L41-I128 HydrophobicContact CG-CG1 4.19Å; L41-P202 HydrophobicContact CB-CG 4.21Å; L41-P202 HydrophobicContact CD1-CB 4.13Å
42R91.6Very high92.6Very high19 Ų1955.3 Ų55.37%0.07225%0.248CC..Hα-helixtrans-59.4-42.8177.5-74.3-170.8-62.2-95.33.3111.2E25 N38 S39 R44 L45 M46 M116E25-R42 IonicContact OE1-CZ 2.94Å; E25-R42 VanDerWaalsContact OE1-CZ 3.24Å; E25-R42 IonicContact OE1-NE 2.77Å; E25-R42 PolarHBondContact OE1-NE 2.97Å; E25-R42 IonicContact OE1-NH2 3.58Å; E25-R42 PolarHBondContact OE1-NH2 3.33Å; E25-R42 IonicContact OE2-NE 2.95Å; E25-R42 PolarHBondContact OE2-NE 3.17Å; E25-R42 IonicContact OE2-NH2 3.13Å; N38-R42 WeakPolarHBondContact O-CG 3.09Å; N38-R42 PolarHBondContact O-N 2.84Å; S39-R42 PolarHBondContact O-N 3.22Å; S39-R42 VanDerWaalsContact O-N 3.16Å; R42-R44 VanDerWaalsContact C-N 3.35Å; R42-L45 PolarHBondContact O-N 2.92Å; R42-M46 HydrophobicContact CB-CE 4.19Å; R42-M46 WeakPolarHBondContact O-CB 3.37Å; R42-M46 WeakPolarHBondContact O-CE 3.42Å; R42-M46 WeakPolarHBondContact O-CG 3.44Å; R42-M46 PolarHBondContact O-N 2.89Å; R42-M116 PolarHBondContact NH1-O 2.82Å
43L93.9Very high92.9Very high30 Ų3053.7 Ų53.716%0.15724%0.238CC..Hα-helixtrans-57.5-47.6173.8-71.6172.9000111.3L22 E25 M26 S39 E40 L41 M46 Y47L22-L43 HydrophobicContact CD2-CD2 3.8Å; E25-L43 HydrophobicContact CB-CD2 3.68Å; E25-L43 HydrophobicContact CB-CG 4.38Å; E25-L43 HydrophobicContact CG-CD2 3.63Å; E25-L43 HydrophobicContact CG-CG 3.76Å; M26-L43 HydrophobicContact CG-CD1 4.33Å; M26-L43 HydrophobicContact CG-CD2 3.75Å; S39-L43 WeakPolarHBondContact O-CG 3.39Å; S39-L43 PolarHBondContact O-N 3.07Å; E40-L43 WeakPolarHBondContact O-CB 3.35Å; E40-L43 PolarHBondContact O-N 3.4Å; L41-L43 VanDerWaalsContact C-N 3.29Å; L41-L43 PolarHBondContact O-N 2.94Å; L43-M46 HydrophobicContact CD2-CE 4.24Å; L43-M46 PolarHBondContact O-N 2.89Å; L43-Y47 WeakPolarHBondContact O-CB 3.22Å; L43-Y47 PolarHBondContact O-N 3.18Å
44R93.2Very high93.3Very high67 Ų6752.5 Ų52.525%0.25324%0.235SC..Hα-helixtrans-59-49.9177.2176.261.4-169.6-157.314.9111.9E40 L41 R42 M46 Y47 D48 P202E40-R44 PolarHBondContact O-N 2.75Å; L41-R44 WeakPolarHBondContact O-CB 3.44Å; L41-R44 PolarHBondContact O-N 3.46Å; L41-R44 VanDerWaalsContact O-N 3.14Å; R42-R44 VanDerWaalsContact C-N 3.35Å; R44-M46 VanDerWaalsContact C-N 3.34Å; R44-M46 PolarHBondContact O-N 2.86Å; R44-Y47 PolarHBondContact O-N 3.22Å; R44-Y47 VanDerWaalsContact O-N 3.15Å; R44-D48 IonicContact CZ-OD1 3.99Å; R44-D48 IonicContact CZ-OD2 2.62Å; R44-D48 VanDerWaalsContact NE-CG 3.25Å; R44-D48 IonicContact NE-OD1 2.69Å; R44-D48 PolarHBondContact NE-OD1 3.28Å; R44-D48 IonicContact NE-OD2 3.95Å; R44-D48 PolarHBondContact NE-OD2 2.85Å; R44-D48 IonicContact NH2-OD1 3.79Å; R44-D48 PolarHBondContact NH2-OD1 3.46Å; R44-D48 IonicContact NH2-OD2 3.35Å; R44-D48 PolarHBondContact O-N 2.92Å; R44-P202 HydrophobicContact CB-CB 4.12Å; R44-P202 WeakPolarHBondContact CD-O 3.48Å; R44-P202 HydrophobicContact CG-CB 4.41Å; R44-P202 VanDerWaalsContact CG-O 3.25Å; R44-P202 WeakPolarHBondContact CG-O 3.48Å
45L91.9Very high93.7Very high69 Ų6951.1 Ų51.136%0.36123%0.233SC..Hα-helixtrans-59.8-43.2179.8-69173.1000112.3L41 R42 R49 V126L41-L45 HydrophobicContact CD2-CD1 4.49Å; L41-L45 HydrophobicContact CG-CD1 4.14Å; L41-L45 HydrophobicContact CG-CG 4.41Å; L41-L45 WeakPolarHBondContact O-CG 3.44Å; L41-L45 PolarHBondContact O-N 3Å; R42-L45 PolarHBondContact O-N 2.92Å; L45-R49 WeakPolarHBondContact O-CB 3.24Å; L45-R49 PolarHBondContact O-N 3.47Å; L45-V126 HydrophobicContact CD1-CG1 4.48Å
46M93.9Very high94.1Very high0 Ų052.9 Ų52.90%024%0.241CC..Hα-helixtrans-66.8-38176.4-73.1-175.2-77.100112L18 E21 L22 E25 R42 L43 R44 Y50 Y113L18-M46 HydrophobicContact CD2-CB 4.21Å; L18-M46 HydrophobicContact CD2-CG 4.33Å; E21-M46 HydrophobicContact CB-SD 3.7Å; L22-M46 HydrophobicContact CD1-CB 4.45Å; L22-M46 HydrophobicContact CD2-CB 3.57Å; L22-M46 HydrophobicContact CD2-CE 4.12Å; L22-M46 HydrophobicContact CD2-SD 4.43Å; L22-M46 HydrophobicContact CG-CB 3.81Å; L22-M46 HydrophobicContact CG-SD 4.32Å; E25-M46 HydrophobicContact CB-CE 3.8Å; E25-M46 HydrophobicContact CG-CE 3.88Å; R42-M46 HydrophobicContact CB-CE 4.19Å; R42-M46 WeakPolarHBondContact O-CB 3.37Å; R42-M46 WeakPolarHBondContact O-CE 3.42Å; R42-M46 WeakPolarHBondContact O-CG 3.44Å; R42-M46 PolarHBondContact O-N 2.89Å; L43-M46 HydrophobicContact CD2-CE 4.24Å; L43-M46 PolarHBondContact O-N 2.89Å; R44-M46 VanDerWaalsContact C-N 3.34Å; R44-M46 PolarHBondContact O-N 2.86Å; M46-Y50 WeakPolarHBondContact O-CB 3.44Å; M46-Y50 PolarHBondContact O-N 2.88Å; M46-Y113 HydrophobicContact CG-CD1 4.27Å; M46-Y113 HydrophobicContact CG-CD2 4.44Å; M46-Y113 HydrophobicContact CG-CE1 3.79Å; M46-Y113 HydrophobicContact CG-CE2 4.01Å; M46-Y113 HydrophobicContact SD-CD1 4.23Å; M46-Y113 HydrophobicContact SD-CD2 4.31Å; M46-Y113 HydrophobicContact SD-CE1 4.36Å; M46-Y113 HydrophobicContact SD-CE2 4.45Å; M46-Y113 HydrophobicContact SD-CG 4.21Å
47Y94.3Very high94.3Very high130 Ų13047.8 Ų47.851%0.5122%0.22SC..Hα-helixtrans-66.1-46.2176.8-177.1-91.7000112.1L43 R44 R49 Y50 F51L43-Y47 WeakPolarHBondContact O-CB 3.22Å; L43-Y47 PolarHBondContact O-N 3.18Å; R44-Y47 PolarHBondContact O-N 3.22Å; R44-Y47 VanDerWaalsContact O-N 3.15Å; Y47-R49 VanDerWaalsContact C-N 3.34Å; Y47-R49 PolarHBondContact O-N 3.08Å; Y47-Y50 WeakPolarHBondContact O-CB 3.28Å; Y47-Y50 PolarHBondContact O-N 3.5Å; Y47-Y50 VanDerWaalsContact O-N 3.17Å; Y47-F51 PolarHBondContact O-N 3.42Å
48D93.7Very high94.5Very high50 Ų5053.6 Ų53.627%0.26724%0.241SC..Hα-helixtrans-59-47.1175.8-72.9-26.8000110.5R44 Y50 F51 D52R44-D48 IonicContact CZ-OD1 3.99Å; R44-D48 IonicContact CZ-OD2 2.62Å; R44-D48 VanDerWaalsContact NE-CG 3.25Å; R44-D48 IonicContact NE-OD1 2.69Å; R44-D48 PolarHBondContact NE-OD1 3.28Å; R44-D48 IonicContact NE-OD2 3.95Å; R44-D48 PolarHBondContact NE-OD2 2.85Å; R44-D48 IonicContact NH2-OD1 3.79Å; R44-D48 PolarHBondContact NH2-OD1 3.46Å; R44-D48 IonicContact NH2-OD2 3.35Å; R44-D48 PolarHBondContact O-N 2.92Å; D48-Y50 VanDerWaalsContact C-N 3.31Å; D48-Y50 PolarHBondContact O-N 3.27Å; D48-F51 WeakPolarHBondContact O-CB 3.32Å; D48-F51 PolarHBondContact O-N 2.85Å; D48-F51 VanDerWaalsContact O-N 3.14Å; D48-D52 PolarHBondContact O-N 3.36Å
49R94.9Very high94.7Very high99 Ų9956.7 Ų56.737%0.37426%0.258SS..Hα-helixtrans-60-42.2175.7-177.160.9-177.9160.77.7112E14 L18 L45 Y47 F51 D52 V53E14-R49 VanDerWaalsContact CD-NH2 3.3Å; E14-R49 IonicContact OE1-CZ 3.17Å; E14-R49 IonicContact OE1-NE 3.89Å; E14-R49 PolarHBondContact OE1-NE 3.1Å; E14-R49 IonicContact OE1-NH2 3.87Å; E14-R49 PolarHBondContact OE1-NH2 3.26Å; E14-R49 IonicContact OE2-NH2 3.9Å; E14-R49 PolarHBondContact OE2-NH2 2.97Å; E14-R49 VanDerWaalsContact OE2-NH2 3.08Å; L18-R49 HydrophobicContact CD1-CB 4.35Å; L18-R49 HydrophobicContact CD1-CG 3.86Å; L18-R49 HydrophobicContact CD2-CB 4.22Å; L18-R49 HydrophobicContact CD2-CG 4.1Å; L45-R49 WeakPolarHBondContact O-CB 3.24Å; L45-R49 PolarHBondContact O-N 3.47Å; Y47-R49 VanDerWaalsContact C-N 3.34Å; Y47-R49 PolarHBondContact O-N 3.08Å; R49-F51 VanDerWaalsContact C-N 3.3Å; R49-F51 PolarHBondContact O-N 3.5Å; R49-D52 PolarHBondContact O-N 2.82Å; R49-V53 HydrophobicContact CG-CG2 4.29Å; R49-V53 VanDerWaalsContact O-CB 3.31Å; R49-V53 WeakPolarHBondContact O-CB 3.42Å; R49-V53 WeakPolarHBondContact O-CG2 3.48Å; R49-V53 PolarHBondContact O-N 2.8Å
50Y96.9Very high94.8Very high54 Ų5458 Ų5821%0.21226%0.264CS..Hα-helixtrans-61.3-41.3177.1178.5-88.3000111.7R15 L18 I19 M46 Y47 D48 T54R15-Y50 HydrophobicContact CB-CD2 4.24Å; R15-Y50 HydrophobicContact CB-CE2 3.83Å; R15-Y50 HydrophobicContact CG-CD2 4.33Å; R15-Y50 HydrophobicContact CG-CE2 4.11Å; R15-Y50 PolarHBondContact NH2-OH 3.42Å; L18-Y50 HydrophobicContact CB-CD2 4.1Å; L18-Y50 HydrophobicContact CD1-CD2 4.44Å; I19-Y50 HydrophobicContact CD1-CE2 3.62Å; I19-Y50 HydrophobicContact CG1-CD2 4.13Å; I19-Y50 HydrophobicContact CG1-CE2 3.6Å; M46-Y50 WeakPolarHBondContact O-CB 3.44Å; M46-Y50 PolarHBondContact O-N 2.88Å; Y47-Y50 WeakPolarHBondContact O-CB 3.28Å; Y47-Y50 PolarHBondContact O-N 3.5Å; Y47-Y50 VanDerWaalsContact O-N 3.17Å; D48-Y50 VanDerWaalsContact C-N 3.31Å; D48-Y50 PolarHBondContact O-N 3.27Å; Y50-T54 VanDerWaalsContact O-CB 3.23Å; Y50-T54 WeakPolarHBondContact O-CB 3.21Å; Y50-T54 PolarHBondContact O-N 2.77Å; Y50-T54 PolarHBondContact O-OG1 3.2Å
51F95.9Very high94.9Very high104 Ų10461 Ų6146%0.45627%0.274SS..Hα-helixtrans-64.8-50.8177.8-176.5-102.6000111.5Y47 D48 R49 V53 T54 Q55Y47-F51 PolarHBondContact O-N 3.42Å; D48-F51 WeakPolarHBondContact O-CB 3.32Å; D48-F51 PolarHBondContact O-N 2.85Å; D48-F51 VanDerWaalsContact O-N 3.14Å; R49-F51 VanDerWaalsContact C-N 3.3Å; R49-F51 PolarHBondContact O-N 3.5Å; F51-V53 PolarHBondContact O-N 3.32Å; F51-T54 WeakPolarHBondContact O-CB 3.26Å; F51-T54 PolarHBondContact O-N 2.85Å; F51-T54 VanDerWaalsContact O-N 3.11Å; F51-Q55 HydrophobicContact CD1-CG 4.38Å; F51-Q55 HydrophobicContact CE1-CG 4.18Å; F51-Q55 HydrophobicContact CZ-CG 4.37Å; F51-Q55 WeakPolarHBondContact O-CG 3.21Å; F51-Q55 PolarHBondContact O-N 3.25Å
52D96.9Very high95Very high85 Ų8564.2 Ų64.246%0.45529%0.288SS..Hα-helixtrans-56.4-49.5178.9-70.2-16.4000111.8D48 R49 T54 Q55 E56D48-D52 PolarHBondContact O-N 3.36Å; R49-D52 PolarHBondContact O-N 2.82Å; D52-T54 VanDerWaalsContact C-N 3.27Å; D52-T54 PolarHBondContact O-N 3.18Å; D52-Q55 WeakPolarHBondContact O-CB 3.28Å; D52-Q55 PolarHBondContact O-N 3.2Å; D52-Q55 VanDerWaalsContact O-N 3.13Å; D52-E56 PolarHBondContact O-N 3.21Å
53V96.6Very high95.1Very high0 Ų063.9 Ų63.90%029%0.288CS..Hα-helixtrans-64.9-33.7179.6171.70000111.2I11 E14 R15 R49 F51 L57I11-V53 HydrophobicContact CB-CG1 4.25Å; I11-V53 HydrophobicContact CG1-CG1 4.44Å; I11-V53 HydrophobicContact CG2-CG1 3.45Å; I11-V53 VanDerWaalsContact CG2-CG1 3.45Å; I11-V53 WeakPolarHBondContact CG2-O 3.37Å; E14-V53 HydrophobicContact CB-CG1 4.39Å; R15-V53 HydrophobicContact CG-CG1 3.74Å; R49-V53 HydrophobicContact CG-CG2 4.29Å; R49-V53 VanDerWaalsContact O-CB 3.31Å; R49-V53 WeakPolarHBondContact O-CB 3.42Å; R49-V53 WeakPolarHBondContact O-CG2 3.48Å; R49-V53 PolarHBondContact O-N 2.8Å; F51-V53 PolarHBondContact O-N 3.32Å; V53-L57 WeakPolarHBondContact O-CB 3.35Å; V53-L57 PolarHBondContact O-N 3.22Å
54T97.5Very high95Very high42 Ų4270.4 Ų70.426%0.25832%0.315SS..Hα-helixtrans-70.7-35.8174.8-610000111.9R15 Y50 F51 D52 R58R15-T54 PolarHBondContact NE-OG1 2.91Å; Y50-T54 VanDerWaalsContact O-CB 3.23Å; Y50-T54 WeakPolarHBondContact O-CB 3.21Å; Y50-T54 PolarHBondContact O-N 2.77Å; Y50-T54 PolarHBondContact O-OG1 3.2Å; F51-T54 WeakPolarHBondContact O-CB 3.26Å; F51-T54 PolarHBondContact O-N 2.85Å; F51-T54 VanDerWaalsContact O-N 3.11Å; D52-T54 VanDerWaalsContact C-N 3.27Å; D52-T54 PolarHBondContact O-N 3.18Å; T54-R58 PolarHBondContact O-N 2.92Å
55Q96.8Very high94.9Very high72 Ų7272.5 Ų72.534%0.33633%0.331SS..Hα-helixtrans-65.5-47.5173.1-69.1-168.9-14.300111.5F51 D52 L57 R58 D59F51-Q55 HydrophobicContact CD1-CG 4.38Å; F51-Q55 HydrophobicContact CE1-CG 4.18Å; F51-Q55 HydrophobicContact CZ-CG 4.37Å; F51-Q55 WeakPolarHBondContact O-CG 3.21Å; F51-Q55 PolarHBondContact O-N 3.25Å; D52-Q55 WeakPolarHBondContact O-CB 3.28Å; D52-Q55 PolarHBondContact O-N 3.2Å; D52-Q55 VanDerWaalsContact O-N 3.13Å; Q55-L57 VanDerWaalsContact C-N 3.29Å; Q55-L57 PolarHBondContact O-N 3.41Å; Q55-R58 WeakPolarHBondContact O-CB 3.42Å; Q55-R58 PolarHBondContact O-N 3.11Å; Q55-R58 VanDerWaalsContact O-N 3.17Å; Q55-D59 PolarHBondContact O-N 3.07Å
56E95.7Very high94.9Very high80 Ų8070.5 Ų70.537%0.37433%0.328SS..Hα-helixtrans-55.9-45.8175.4-173.9-177.3167.900111I11 D52 R58 D59 L60I11-E56 HydrophobicContact CD1-CG 3.9Å; D52-E56 PolarHBondContact O-N 3.21Å; E56-R58 PolarHBondContact O-N 3.3Å; E56-D59 PolarHBondContact O-N 3.12Å; E56-L60 WeakPolarHBondContact O-CG 3.25Å; E56-L60 PolarHBondContact O-N 3.18Å
57L96.5Very high94.8Very high7 Ų775 Ų754%0.03735%0.351CS..Hα-helixtrans-58.6-46.3177.1-172.155000112.7Q8 I11 H12 V53 Q55 D59 L60 Y61Q8-L57 HydrophobicContact CB-CD1 4.28Å; Q8-L57 HydrophobicContact CG-CD1 4.13Å; I11-L57 HydrophobicContact CB-CD1 4.31Å; I11-L57 HydrophobicContact CG2-CB 3.57Å; I11-L57 HydrophobicContact CG2-CD1 3.78Å; I11-L57 HydrophobicContact CG2-CD2 4.06Å; I11-L57 HydrophobicContact CG2-CG 3.98Å; H12-L57 VanDerWaalsContact CE1-CD2 3.46Å; H12-L57 WeakPolarHBondContact CE1-CD2 3.36Å; V53-L57 WeakPolarHBondContact O-CB 3.35Å; V53-L57 PolarHBondContact O-N 3.22Å; Q55-L57 VanDerWaalsContact C-N 3.29Å; Q55-L57 PolarHBondContact O-N 3.41Å; L57-D59 VanDerWaalsContact C-N 3.31Å; L57-D59 PolarHBondContact O-N 2.84Å; L57-L60 PolarHBondContact O-N 2.51Å; L57-Y61 HydrophobicContact CD1-CD2 3.87Å; L57-Y61 HydrophobicContact CD1-CE2 3.47Å; L57-Y61 VanDerWaalsContact CD1-CE2 3.47Å; L57-Y61 HydrophobicContact CD2-CE2 4.23Å; L57-Y61 HydrophobicContact CG-CD2 3.86Å; L57-Y61 HydrophobicContact CG-CE2 3.7Å; L57-Y61 VanDerWaalsContact O-CD2 3.23Å; L57-Y61 WeakPolarHBondContact O-CD2 3.39Å; L57-Y61 PolarHBondContact O-N 3Å
58R96.3Very high94.7Very high129 Ų12971.9 Ų71.949%0.48734%0.339SS..Hα-helixtrans-58.9-46.8179.2-178.8-167.565.1-154.7-7.9110T54 Q55 E56 L60 Y61 E62T54-R58 PolarHBondContact O-N 2.92Å; Q55-R58 WeakPolarHBondContact O-CB 3.42Å; Q55-R58 PolarHBondContact O-N 3.11Å; Q55-R58 VanDerWaalsContact O-N 3.17Å; E56-R58 PolarHBondContact O-N 3.3Å; R58-L60 VanDerWaalsContact C-N 3.31Å; R58-L60 PolarHBondContact O-N 2.99Å; R58-Y61 WeakPolarHBondContact O-CA 3.44Å; R58-Y61 WeakPolarHBondContact O-CB 3.34Å; R58-Y61 PolarHBondContact O-N 3.44Å; R58-E62 PolarHBondContact O-N 3.24Å
59D94.7Very high94.6Very high74 Ų7475.4 Ų75.440%0.39635%0.351SS..Hα-helixtrans-64.7-36-178.1-66.81.7000111.4Q55 E56 L57 Y61 E62Q55-D59 PolarHBondContact O-N 3.07Å; E56-D59 PolarHBondContact O-N 3.12Å; L57-D59 VanDerWaalsContact C-N 3.31Å; L57-D59 PolarHBondContact O-N 2.84Å; D59-Y61 VanDerWaalsContact C-N 3.34Å; D59-Y61 PolarHBondContact O-N 3.09Å; D59-E62 PolarHBondContact O-N 3.03Å
60L94.1Very high94.4Very high35 Ų3572.8 Ų72.818%0.18335%0.351CS..Hα-helixtrans-66.4-30.9171.3-68175.3000113.3V4 Q7 Q8 I11 E56 L57 R58V4-L60 HydrophobicContact CG1-CD2 4.36Å; Q7-L60 HydrophobicContact CB-CD1 4.18Å; Q8-L60 HydrophobicContact CG-CB 4.13Å; Q8-L60 HydrophobicContact CG-CD1 4.17Å; Q8-L60 PolarHBondContact NE2-O 2.74Å; I11-L60 HydrophobicContact CD1-CD1 3.52Å; E56-L60 WeakPolarHBondContact O-CG 3.25Å; E56-L60 PolarHBondContact O-N 3.18Å; L57-L60 PolarHBondContact O-N 2.51Å; R58-L60 VanDerWaalsContact C-N 3.31Å; R58-L60 PolarHBondContact O-N 2.99Å
61Y94.8Very high94Very high107 Ų10770.9 Ų70.942%0.4234%0.344SS..Hα-helixtrans-78-29.1174.7-85.8-68.9000113.4H12 L57 R58 D59 D63H12-Y61 AromaticContact NE2-CE2 3.63Å; H12-Y61 AromaticContact NE2-CZ 3.72Å; H12-Y61 PolarHBondContact NE2-OH 2.93Å; L57-Y61 HydrophobicContact CD1-CD2 3.87Å; L57-Y61 HydrophobicContact CD1-CE2 3.47Å; L57-Y61 VanDerWaalsContact CD1-CE2 3.47Å; L57-Y61 HydrophobicContact CD2-CE2 4.23Å; L57-Y61 HydrophobicContact CG-CD2 3.86Å; L57-Y61 HydrophobicContact CG-CE2 3.7Å; L57-Y61 VanDerWaalsContact O-CD2 3.23Å; L57-Y61 WeakPolarHBondContact O-CD2 3.39Å; L57-Y61 PolarHBondContact O-N 3Å; R58-Y61 WeakPolarHBondContact O-CA 3.44Å; R58-Y61 WeakPolarHBondContact O-CB 3.34Å; R58-Y61 PolarHBondContact O-N 3.44Å; D59-Y61 VanDerWaalsContact C-N 3.34Å; D59-Y61 PolarHBondContact O-N 3.09Å; Y61-D63 PolarHBondContact O-N 3.21Å
62E94.8Very high93.6Very high95 Ų9568.7 Ų68.744%0.44434%0.337SS..Hα-helixtrans-61.5-25.1172.7-72-177.9177.500111.9R58 D59 K64R58-E62 PolarHBondContact O-N 3.24Å; D59-E62 PolarHBondContact O-N 3.03Å; E62-K64 VanDerWaalsContact C-N 3.28Å; E62-K64 HydrophobicContact CB-CG 4.36Å; E62-K64 PolarHBondContact O-N 3.28Å; E62-K64 WeakPolarHBondContact OE2-CE 3.09Å; E62-K64 IonicContact OE2-NZ 2.62Å; E62-K64 PolarHBondContact OE2-NZ 2.97Å
63D93Very high93.2Very high13 Ų1371.4 Ų71.47%0.0735%0.346CS..THydrogen-bonded Turntrans52.844.7170.5-175.946.9000112.3Y61 D65 G66 L67 R68 K69Y61-D63 PolarHBondContact O-N 3.21Å; D63-D65 PolarHBondContact O-N 2.84Å; D63-G66 PolarHBondContact O-N 3.28Å; D63-G66 VanDerWaalsContact O-N 3.13Å; D63-G66 WeakPolarHBondContact OD1-CA 3.47Å; D63-G66 PolarHBondContact OD1-N 2.71Å; D63-L67 PolarHBondContact OD1-N 3.18Å; D63-R68 HydrophobicContact CB-CB 4.12Å; D63-R68 WeakPolarHBondContact OD1-CB 3.47Å; D63-R68 PolarHBondContact OD1-N 3.22Å; D63-K69 WeakPolarHBondContact OD2-CD 3.19Å; D63-K69 WeakPolarHBondContact OD2-CE 3.4Å; D63-K69 WeakPolarHBondContact OD2-CG 3.46Å; D63-K69 IonicContact OD2-NZ 2.89Å; D63-K69 PolarHBondContact OD2-NZ 3.11Å
64K92.2Very high92.7Very high167 Ų16774.2 Ų74.273%0.72636%0.364SS*.THydrogen-bonded Turntrans-60.3-29.5-176.5-72.1176.4178.71410113.1E62E62-K64 VanDerWaalsContact C-N 3.28Å; E62-K64 HydrophobicContact CB-CG 4.36Å; E62-K64 PolarHBondContact O-N 3.28Å; E62-K64 WeakPolarHBondContact OE2-CE 3.09Å; E62-K64 IonicContact OE2-NZ 2.62Å; E62-K64 PolarHBondContact OE2-NZ 2.97Å
65D91.9Very high92.1Very high110 Ų11075.6 Ų75.659%0.58837%0.369SS*.THydrogen-bonded Turntrans-93.7-9.3179.658.114.1000113.7D63 L67D63-D65 PolarHBondContact O-N 2.84Å; D65-L67 HydrophobicContact CB-CD1 4.49Å; D65-L67 HydrophobicContact CB-CG 4.12Å; D65-L67 VanDerWaalsContact CG-CG 3.47Å; D65-L67 PolarHBondContact O-N 3.48Å; D65-L67 WeakPolarHBondContact OD1-CB 3Å; D65-L67 PolarHBondContact OD1-N 3.27Å; D65-L67 VanDerWaalsContact OD2-CD1 3.24Å; D65-L67 WeakPolarHBondContact OD2-CD1 3.44Å
66G91.9Very high91.6Very high28 Ų2876.3 Ų76.329%0.28938%0.382SS..SBendtrans72.24.8-176.500000114.6D63 R68 K69 A70D63-G66 PolarHBondContact O-N 3.28Å; D63-G66 VanDerWaalsContact O-N 3.13Å; D63-G66 WeakPolarHBondContact OD1-CA 3.47Å; D63-G66 PolarHBondContact OD1-N 2.71Å; G66-R68 VanDerWaalsContact C-N 3.27Å; G66-R68 PolarHBondContact O-N 3.33Å; G66-K69 PolarHBondContact O-N 2.83Å; G66-A70 PolarHBondContact O-N 3.42Å
67L91.5Very high90.8Very high95 Ų9573.5 Ų73.550%0.49737%0.374SS..Hα-helixtrans-66-32.2-177.1-69.5-177000111.7V4 D63 D65 A70 D71V4-L67 HydrophobicContact CG2-CB 3.84Å; D63-L67 PolarHBondContact OD1-N 3.18Å; D65-L67 HydrophobicContact CB-CD1 4.49Å; D65-L67 HydrophobicContact CB-CG 4.12Å; D65-L67 VanDerWaalsContact CG-CG 3.47Å; D65-L67 PolarHBondContact O-N 3.48Å; D65-L67 WeakPolarHBondContact OD1-CB 3Å; D65-L67 PolarHBondContact OD1-N 3.27Å; D65-L67 VanDerWaalsContact OD2-CD1 3.24Å; D65-L67 WeakPolarHBondContact OD2-CD1 3.44Å; L67-A70 PolarHBondContact O-N 2.98Å; L67-D71 WeakPolarHBondContact O-CB 3.42Å; L67-D71 PolarHBondContact O-N 3.44Å
68R91.7Very high90.2Very high64 Ų6479.7 Ų79.724%0.24242%0.415CS..Hα-helixtrans-65-46.4176.6-171.8-176169.2-92.4-8.2110.8V4 L5 Q8 D63 G66 A70 D71 I72V4-R68 HydrophobicContact CG1-CB 3.87Å; V4-R68 HydrophobicContact CG1-CG 4.09Å; L5-R68 HydrophobicContact CD2-CG 4.44Å; Q8-R68 VanDerWaalsContact NE2-CD 3.34Å; D63-R68 HydrophobicContact CB-CB 4.12Å; D63-R68 WeakPolarHBondContact OD1-CB 3.47Å; D63-R68 PolarHBondContact OD1-N 3.22Å; G66-R68 VanDerWaalsContact C-N 3.27Å; G66-R68 PolarHBondContact O-N 3.33Å; R68-A70 VanDerWaalsContact C-N 3.32Å; R68-A70 PolarHBondContact O-N 2.94Å; R68-D71 PolarHBondContact O-N 3.04Å; R68-I72 HydrophobicContact CG-CD1 4.18Å; R68-I72 VanDerWaalsContact O-CG1 3.27Å; R68-I72 WeakPolarHBondContact O-CG1 3.3Å; R68-I72 PolarHBondContact O-N 2.85Å
69K92Very high89.6Confident124 Ų12478.9 Ų78.954%0.53942%0.42SS..Hα-helixtrans-60.7-42.2175.4-78.5165.3-167.11520111.4D63 G66 I72 Q73D63-K69 WeakPolarHBondContact OD2-CD 3.19Å; D63-K69 WeakPolarHBondContact OD2-CE 3.4Å; D63-K69 WeakPolarHBondContact OD2-CG 3.46Å; D63-K69 IonicContact OD2-NZ 2.89Å; D63-K69 PolarHBondContact OD2-NZ 3.11Å; G66-K69 PolarHBondContact O-N 2.83Å; K69-I72 PolarHBondContact O-N 3.11Å; K69-Q73 WeakPolarHBondContact O-CB 3.42Å; K69-Q73 VanDerWaalsContact O-CG 3.3Å; K69-Q73 WeakPolarHBondContact O-CG 3.47Å; K69-Q73 PolarHBondContact O-N 2.68Å
70A90.2Very high89.1Confident43 Ų4380.1 Ų80.136%0.35542%0.424SS..Hα-helixtrans-63.5-43.8178.100000112.3G66 L67 R68 Q73 T74G66-A70 PolarHBondContact O-N 3.42Å; L67-A70 PolarHBondContact O-N 2.98Å; R68-A70 VanDerWaalsContact C-N 3.32Å; R68-A70 PolarHBondContact O-N 2.94Å; A70-Q73 PolarHBondContact O-N 3.35Å; A70-T74 WeakPolarHBondContact O-CB 3.31Å; A70-T74 PolarHBondContact O-N 2.88Å; A70-T74 PolarHBondContact O-OG1 3.07Å
71D88.2Confident88.8Confident14 Ų1486 Ų868%0.07545%0.448CS..Hα-helixtrans-63.6-43177.2-167.521.8000111.2T3 L5 L67 R68 Q73 T74 L75 R87T3-D71 WeakPolarHBondContact CB-OD2 3.05Å; T3-D71 PolarHBondContact OG1-OD2 2.85Å; L5-D71 HydrophobicContact CD1-CB 4.4Å; L5-D71 HydrophobicContact CG-CB 4.46Å; L5-D71 WeakPolarHBondContact CG-OD2 3.37Å; L5-D71 PolarHBondContact N-OD2 2.96Å; L67-D71 WeakPolarHBondContact O-CB 3.42Å; L67-D71 PolarHBondContact O-N 3.44Å; R68-D71 PolarHBondContact O-N 3.04Å; D71-Q73 PolarHBondContact O-N 3.42Å; D71-T74 PolarHBondContact O-N 3.09Å; D71-L75 WeakPolarHBondContact O-CG 3.1Å; D71-L75 PolarHBondContact O-N 3.4Å; D71-L75 VanDerWaalsContact O-N 3.09Å; D71-R87 IonicContact OD1-CZ 2.73Å; D71-R87 IonicContact OD1-NH1 3.84Å; D71-R87 PolarHBondContact OD1-NH1 3.05Å; D71-R87 IonicContact OD1-NH2 3.23Å; D71-R87 PolarHBondContact OD1-NH2 3.36Å
72I89.4Confident88.5Confident59 Ų5985.6 Ų85.630%0.30345%0.454SS..Hα-helixtrans-60-47.2174.4-67.6167000111.3L5 R68 K69 T74 L75 S76L5-I72 HydrophobicContact CD1-CG1 3.95Å; L5-I72 HydrophobicContact CD2-CD1 4.39Å; L5-I72 HydrophobicContact CD2-CG1 4.01Å; L5-I72 HydrophobicContact CG-CG1 4.42Å; R68-I72 HydrophobicContact CG-CD1 4.18Å; R68-I72 VanDerWaalsContact O-CG1 3.27Å; R68-I72 WeakPolarHBondContact O-CG1 3.3Å; R68-I72 PolarHBondContact O-N 2.85Å; K69-I72 PolarHBondContact O-N 3.11Å; I72-T74 VanDerWaalsContact C-N 3.29Å; I72-T74 PolarHBondContact O-N 3Å; I72-L75 PolarHBondContact O-N 2.68Å; I72-S76 PolarHBondContact O-N 3.38Å
73Q88.5Confident88.1Confident141 Ų14183.6 Ų83.666%0.65944%0.444SS*.Hα-helixtrans-64.1-35.9179.4-75.3176.46.100112.5K69 A70 D71 L75 S76 G77K69-Q73 WeakPolarHBondContact O-CB 3.42Å; K69-Q73 VanDerWaalsContact O-CG 3.3Å; K69-Q73 WeakPolarHBondContact O-CG 3.47Å; K69-Q73 PolarHBondContact O-N 2.68Å; A70-Q73 PolarHBondContact O-N 3.35Å; D71-Q73 PolarHBondContact O-N 3.42Å; Q73-L75 VanDerWaalsContact C-N 3.31Å; Q73-S76 PolarHBondContact O-N 3.31Å; Q73-G77 PolarHBondContact O-N 3.3Å
74T86.2Confident87.8Confident59 Ų5988.9 Ų88.936%0.36247%0.467SS..Hα-helixtrans-65.8-37.3178-570000111A70 D71 I72 E83A70-T74 WeakPolarHBondContact O-CB 3.31Å; A70-T74 PolarHBondContact O-N 2.88Å; A70-T74 PolarHBondContact O-OG1 3.07Å; D71-T74 PolarHBondContact O-N 3.09Å; I72-T74 VanDerWaalsContact C-N 3.29Å; I72-T74 PolarHBondContact O-N 3Å; T74-E83 HydrophobicContact CG2-CG 3.75Å; T74-E83 VanDerWaalsContact CG2-OE1 3.27Å; T74-E83 WeakPolarHBondContact CG2-OE1 3.23Å
75L84.7Confident87.7Confident71 Ų7187.7 Ų87.737%0.37246%0.459SS..Hα-helixtrans-76-30.3176.6-72.9174.7000114.4L5 D71 I72 Q73 E80L5-L75 HydrophobicContact CD1-CD1 3.5Å; L5-L75 VanDerWaalsContact CD1-CD1 3.5Å; D71-L75 WeakPolarHBondContact O-CG 3.1Å; D71-L75 PolarHBondContact O-N 3.4Å; D71-L75 VanDerWaalsContact O-N 3.09Å; I72-L75 PolarHBondContact O-N 2.68Å; Q73-L75 VanDerWaalsContact C-N 3.31Å; L75-E80 WeakPolarHBondContact O-CG 3.44Å
76S85Confident87.5Confident88 Ų8886.6 Ų86.662%0.61545%0.453SS*.THydrogen-bonded Turntrans-104.616.9-178.5-58.40000114.1I72 Q73I72-S76 PolarHBondContact O-N 3.38Å; Q73-S76 PolarHBondContact O-N 3.31Å
77G79.8Confident87.3Confident20 Ų2086.9 Ų86.921%0.20645%0.445CS..SBendtrans-87.2174.6-178.900000113.3Q73 N79 E80Q73-G77 PolarHBondContact O-N 3.3Å; G77-N79 PolarHBondContact O-N 3.26Å; G77-E80 WeakPolarHBondContact O-CG 3.47Å; G77-E80 PolarHBondContact O-N 3.22Å
78P83.4Confident87.2Confident137 Ų13784.9 Ų84.989%0.8944%0.435SS*.THydrogen-bonded Turntrans-62.5-16.4-178.5-22.332.8000115.7
79N83.7Confident87.3Confident112 Ų11287.7 Ų87.760%0.59945%0.449SS*.THydrogen-bonded Turntrans-109.127.7-172.2-70.7-22.2000113.3G77 F81 N82 E83G77-N79 PolarHBondContact O-N 3.26Å; N79-F81 VanDerWaalsContact C-N 3.25Å; N79-F81 PolarHBondContact O-N 3.37Å; N79-F81 VanDerWaalsContact O-N 3.13Å; N79-N82 PolarHBondContact O-N 3.46Å; N79-E83 PolarHBondContact O-N 3.47Å; N79-E83 VanDerWaalsContact O-N 3.16Å
80E85.1Confident87.1Confident101 Ų10186.9 Ų86.947%0.47245%0.447SS..Hα-helixtrans-49.4-43.2-173.8-45.7-176.5160.100113.2L75 G77 E83 F84L75-E80 WeakPolarHBondContact O-CG 3.44Å; G77-E80 WeakPolarHBondContact O-CG 3.47Å; G77-E80 PolarHBondContact O-N 3.22Å; E80-E83 PolarHBondContact O-N 3.13Å; E80-F84 WeakPolarHBondContact O-CB 3.09Å; E80-F84 PolarHBondContact O-N 2.98Å
81F86.1Confident87Confident157 Ų15788.2 Ų88.269%0.68945%0.447SS*.Hα-helixtrans-64.4-42.4-180-69.9-69.4000112.7N79 F84 Y85N79-F81 VanDerWaalsContact C-N 3.25Å; N79-F81 PolarHBondContact O-N 3.37Å; N79-F81 VanDerWaalsContact O-N 3.13Å; F81-F84 PolarHBondContact O-N 3.38Å; F81-Y85 WeakPolarHBondContact O-CD2 3.34Å; F81-Y85 PolarHBondContact O-N 3.28Å
82N89Confident87.1Confident100 Ų10094 Ų9454%0.53547%0.472SS..Hα-helixtrans-65.5-45179.9-71.6-21.5000110.4N79 F84 Y85 D86N79-N82 PolarHBondContact O-N 3.46Å; N82-F84 VanDerWaalsContact C-N 3.33Å; N82-F84 PolarHBondContact O-N 3.38Å; N82-Y85 PolarHBondContact O-N 3.24Å; N82-D86 WeakPolarHBondContact O-CB 3.46Å; N82-D86 PolarHBondContact O-N 3.47Å
83E87Confident87.2Confident52 Ų5294.6 Ų94.624%0.24347%0.473CS..Hα-helixtrans-58.4-45175.7179.667.4-174.200111.5T74 N79 E80 Y85 D86 R87T74-E83 HydrophobicContact CG2-CG 3.75Å; T74-E83 VanDerWaalsContact CG2-OE1 3.27Å; T74-E83 WeakPolarHBondContact CG2-OE1 3.23Å; N79-E83 PolarHBondContact O-N 3.47Å; N79-E83 VanDerWaalsContact O-N 3.16Å; E80-E83 PolarHBondContact O-N 3.13Å; E83-Y85 PolarHBondContact O-N 3.12Å; E83-D86 PolarHBondContact O-N 2.97Å; E83-R87 VanDerWaalsContact O-CB 3.32Å; E83-R87 WeakPolarHBondContact O-CB 3.48Å; E83-R87 VanDerWaalsContact O-CG 3.27Å; E83-R87 WeakPolarHBondContact O-CG 3.47Å; E83-R87 PolarHBondContact O-N 3.38Å; E83-R87 IonicContact OE1-CZ 3.94Å; E83-R87 VanDerWaalsContact OE1-CZ 3.28Å; E83-R87 IonicContact OE1-NE 2.76Å; E83-R87 PolarHBondContact OE1-NE 3.08Å; E83-R87 IonicContact OE1-NH2 3.37Å; E83-R87 PolarHBondContact OE1-NH2 3.09Å
84F85.5Confident87.2Confident125 Ų12592.4 Ų92.455%0.54846%0.462SS..Hα-helixtrans-58.9-45.8175.8177.8-92.7000112.2E80 F81 N82 R87 L88E80-F84 WeakPolarHBondContact O-CB 3.09Å; E80-F84 PolarHBondContact O-N 2.98Å; F81-F84 PolarHBondContact O-N 3.38Å; N82-F84 VanDerWaalsContact C-N 3.33Å; N82-F84 PolarHBondContact O-N 3.38Å; F84-R87 PolarHBondContact O-N 2.86Å; F84-L88 HydrophobicContact CE1-CD2 4.25Å; F84-L88 WeakPolarHBondContact O-CB 3.12Å; F84-L88 PolarHBondContact O-N 2.89Å
85Y90.7Very high87.2Confident142 Ų14294.8 Ų94.856%0.55747%0.469SS*.Hα-helixtrans-67.8-36.3179.3-77-62.6000112.7F81 N82 E83 L88 K89F81-Y85 WeakPolarHBondContact O-CD2 3.34Å; F81-Y85 PolarHBondContact O-N 3.28Å; N82-Y85 PolarHBondContact O-N 3.24Å; E83-Y85 PolarHBondContact O-N 3.12Å; Y85-L88 PolarHBondContact O-N 3.11Å; Y85-K89 WeakPolarHBondContact O-CB 3.47Å; Y85-K89 PolarHBondContact O-N 3.48Å
86D88.1Confident87.5Confident87 Ų87100.3 Ų100.347%0.46548%0.484SS..Hα-helixtrans-65.3-45.7175.2-75.3-25.5000111.1N82 E83 L88 K89 Q90N82-D86 WeakPolarHBondContact O-CB 3.46Å; N82-D86 PolarHBondContact O-N 3.47Å; E83-D86 PolarHBondContact O-N 2.97Å; D86-L88 PolarHBondContact O-N 2.75Å; D86-K89 WeakPolarHBondContact O-CB 3.42Å; D86-K89 PolarHBondContact O-N 2.97Å; D86-Q90 WeakPolarHBondContact O-CG 3.36Å; D86-Q90 PolarHBondContact O-N 3.39Å
87R87Confident87.8Confident34 Ų34103 Ų10313%0.12849%0.485CS..Hα-helixtrans-57.7-47.3172.3-77.5-174-170.4-155.33.3112M1 D71 E83 F84 K89 Q90 I91M1-R87 HydrophobicContact CE-CB 3.26Å; M1-R87 HydrophobicContact CE-CG 3.43Å; M1-R87 VanDerWaalsContact CE-CG 3.43Å; M1-R87 HydrophobicContact SD-CB 4.11Å; M1-R87 HydrophobicContact SD-CG 3.81Å; D71-R87 IonicContact OD1-CZ 2.73Å; D71-R87 IonicContact OD1-NH1 3.84Å; D71-R87 PolarHBondContact OD1-NH1 3.05Å; D71-R87 IonicContact OD1-NH2 3.23Å; D71-R87 PolarHBondContact OD1-NH2 3.36Å; E83-R87 VanDerWaalsContact O-CB 3.32Å; E83-R87 WeakPolarHBondContact O-CB 3.48Å; E83-R87 VanDerWaalsContact O-CG 3.27Å; E83-R87 WeakPolarHBondContact O-CG 3.47Å; E83-R87 PolarHBondContact O-N 3.38Å; E83-R87 IonicContact OE1-CZ 3.94Å; E83-R87 VanDerWaalsContact OE1-CZ 3.28Å; E83-R87 IonicContact OE1-NE 2.76Å; E83-R87 PolarHBondContact OE1-NE 3.08Å; E83-R87 IonicContact OE1-NH2 3.37Å; E83-R87 PolarHBondContact OE1-NH2 3.09Å; F84-R87 PolarHBondContact O-N 2.86Å; R87-K89 VanDerWaalsContact C-N 3.33Å; R87-K89 PolarHBondContact O-N 3.37Å; R87-Q90 PolarHBondContact O-N 3.3Å; R87-I91 WeakPolarHBondContact O-CG1 3.39Å; R87-I91 PolarHBondContact O-N 3.04Å; R87-I91 VanDerWaalsContact O-N 3.14Å
88L90.2Very high88.2Confident53 Ų53105.9 Ų105.928%0.27749%0.493SS..Hα-helixtrans-63.4-38.6177.7179.862.3000112.1F84 Y85 D86 I91 K92F84-L88 HydrophobicContact CE1-CD2 4.25Å; F84-L88 WeakPolarHBondContact O-CB 3.12Å; F84-L88 PolarHBondContact O-N 2.89Å; Y85-L88 PolarHBondContact O-N 3.11Å; D86-L88 PolarHBondContact O-N 2.75Å; L88-I91 PolarHBondContact O-N 2.81Å; L88-K92 HydrophobicContact CG-CD 4.41Å; L88-K92 WeakPolarHBondContact O-CG 3.37Å; L88-K92 PolarHBondContact O-N 2.77Å
89K92.9Very high88.4Confident123 Ų123105 Ų10554%0.53549%0.487SS..Hα-helixtrans-62.7-43.7176.6-176-177.5174.7-171.70111.1Y85 D86 R87 I91 K92 E93Y85-K89 WeakPolarHBondContact O-CB 3.47Å; Y85-K89 PolarHBondContact O-N 3.48Å; D86-K89 WeakPolarHBondContact O-CB 3.42Å; D86-K89 PolarHBondContact O-N 2.97Å; R87-K89 VanDerWaalsContact C-N 3.33Å; R87-K89 PolarHBondContact O-N 3.37Å; K89-I91 PolarHBondContact O-N 2.96Å; K89-K92 PolarHBondContact O-N 2.82Å; K89-E93 VanDerWaalsContact CE-OE1 3.25Å; K89-E93 WeakPolarHBondContact CE-OE1 3.3Å; K89-E93 WeakPolarHBondContact O-CG 3.25Å; K89-E93 PolarHBondContact O-N 3.13Å
90Q89.1Confident88.4Confident106 Ų106102.9 Ų102.950%0.49549%0.492SS..Hα-helixtrans-59.8-44175.6-67.7174.329.100112M1 D86 R87 K92 E93 F94M1-Q90 PolarHBondContact SD-OE1 3.17Å; D86-Q90 WeakPolarHBondContact O-CG 3.36Å; D86-Q90 PolarHBondContact O-N 3.39Å; R87-Q90 PolarHBondContact O-N 3.3Å; Q90-K92 PolarHBondContact O-N 2.78Å; Q90-E93 PolarHBondContact O-N 3.27Å; Q90-F94 WeakPolarHBondContact O-CB 3.47Å; Q90-F94 PolarHBondContact O-N 3.18Å
91I87.1Confident88.3Confident72 Ų72103.6 Ų103.637%0.36950%0.495SS..Hα-helixtrans-60.4-46.9176.2-66.1167.8000110.7M1 R87 L88 K89 E93 F94 H95M1-I91 HydrophobicContact CE-CD1 4.06Å; M1-I91 HydrophobicContact CE-CG1 4.23Å; R87-I91 WeakPolarHBondContact O-CG1 3.39Å; R87-I91 PolarHBondContact O-N 3.04Å; R87-I91 VanDerWaalsContact O-N 3.14Å; L88-I91 PolarHBondContact O-N 2.81Å; K89-I91 PolarHBondContact O-N 2.96Å; I91-E93 VanDerWaalsContact C-N 3.35Å; I91-E93 PolarHBondContact O-N 3.07Å; I91-F94 WeakPolarHBondContact O-CB 3.19Å; I91-F94 PolarHBondContact O-N 3.03Å; I91-H95 PolarHBondContact O-CD2 3.34Å; I91-H95 VanDerWaalsContact O-CD2 3.29Å; I91-H95 PolarHBondContact O-N 3.13Å
92K90.5Very high88Confident134 Ų134103 Ų10358%0.58350%0.498SS*.Hα-helixtrans-62.1-41.1177.4-73.2177.1178.4178.40112.3L88 K89 Q90 F94 R96L88-K92 HydrophobicContact CG-CD 4.41Å; L88-K92 WeakPolarHBondContact O-CG 3.37Å; L88-K92 PolarHBondContact O-N 2.77Å; K89-K92 PolarHBondContact O-N 2.82Å; Q90-K92 PolarHBondContact O-N 2.78Å; K92-F94 VanDerWaalsContact C-N 3.34Å; K92-R96 WeakPolarHBondContact O-CB 3.36Å; K92-R96 PolarHBondContact O-N 3.27Å
93E91.9Very high87.3Confident72 Ų72103.3 Ų103.334%0.33651%0.507SS..Hα-helixtrans-65.4-37.8176.5-76.1-177.4-171.900112.3K89 Q90 I91 R96 K97K89-E93 VanDerWaalsContact CE-OE1 3.25Å; K89-E93 WeakPolarHBondContact CE-OE1 3.3Å; K89-E93 WeakPolarHBondContact O-CG 3.25Å; K89-E93 PolarHBondContact O-N 3.13Å; Q90-E93 PolarHBondContact O-N 3.27Å; I91-E93 VanDerWaalsContact C-N 3.35Å; I91-E93 PolarHBondContact O-N 3.07Å; E93-R96 PolarHBondContact O-N 3.08Å; E93-K97 WeakPolarHBondContact O-CG 3.41Å; E93-K97 PolarHBondContact O-N 3.06Å
94F87.9Confident86.9Confident95 Ų95105.6 Ų105.642%0.41752%0.524SS..Hα-helixtrans-61.2-53.8174.4-178-89.6000111.3Q90 I91 K92 R96 K97 H98 E101Q90-F94 WeakPolarHBondContact O-CB 3.47Å; Q90-F94 PolarHBondContact O-N 3.18Å; I91-F94 WeakPolarHBondContact O-CB 3.19Å; I91-F94 PolarHBondContact O-N 3.03Å; K92-F94 VanDerWaalsContact C-N 3.34Å; F94-R96 VanDerWaalsContact C-N 3.25Å; F94-R96 PolarHBondContact O-N 3.1Å; F94-K97 PolarHBondContact O-N 3.33Å; F94-H98 AromaticContact CD1-ND1 3.96Å; F94-H98 AromaticContact CD2-CE1 3.71Å; F94-H98 AromaticContact CD2-ND1 3.51Å; F94-H98 AromaticContact CE1-ND1 3.76Å; F94-H98 AromaticContact CE2-CE1 3.44Å; F94-H98 VanDerWaalsContact CE2-CE1 3.44Å; F94-H98 WeakPolarHBondContact CE2-CE1 3.49Å; F94-H98 AromaticContact CE2-ND1 3.32Å; F94-H98 VanDerWaalsContact CE2-ND1 3.32Å; F94-H98 WeakPolarHBondContact CE2-ND1 3.28Å; F94-H98 AromaticContact CG-ND1 3.83Å; F94-H98 AromaticContact CZ-CE1 3.95Å; F94-H98 AromaticContact CZ-ND1 3.44Å; F94-H98 WeakPolarHBondContact CZ-ND1 3.42Å; F94-H98 PolarHBondContact O-N 2.63Å; F94-H98 PolarHBondContact O-ND1 2.7Å; F94-E101 WeakPolarHBondContact CE1-OE2 3.46Å; F94-E101 VanDerWaalsContact CZ-OE2 3.27Å; F94-E101 WeakPolarHBondContact CZ-OE2 3.42Å
95H86.3Confident86.9Confident110 Ų110103.2 Ų103.251%0.50952%0.521SS..Hα-helixtrans-62.6-31.5178.5-77.7-71.8000113.1I91 H98I91-H95 PolarHBondContact O-CD2 3.34Å; I91-H95 VanDerWaalsContact O-CD2 3.29Å; I91-H95 PolarHBondContact O-N 3.13Å; H95-H98 CarbonylContact O-C 3.44Å
96R90.8Very high86.6Confident186 Ų18698.1 Ų98.170%0.70250%0.503SS*.Hα-helixtrans-67.1-36.4173.6-173.1-177.466170.6-2.7112.3K92 E93 F94K92-R96 WeakPolarHBondContact O-CB 3.36Å; K92-R96 PolarHBondContact O-N 3.27Å; E93-R96 PolarHBondContact O-N 3.08Å; F94-R96 VanDerWaalsContact C-N 3.25Å; F94-R96 PolarHBondContact O-N 3.1Å
97K92.2Very high86.5Confident145 Ų14595.5 Ų95.563%0.6349%0.491SS*.Hα-helixtrans-76.2-29.9177.7-74.9178.6179.8177.80112.5E93 F94 P99E93-K97 WeakPolarHBondContact O-CG 3.41Å; E93-K97 PolarHBondContact O-N 3.06Å; F94-K97 PolarHBondContact O-N 3.33Å; K97-P99 VanDerWaalsContact O-CD 3.26Å; K97-P99 WeakPolarHBondContact O-CD 3.45Å
98H88.8Confident86.5Confident80 Ų8095.2 Ų95.237%0.3750%0.496SS..  trans-119.964.6-176.9-49.5110.4000112.1F94 H95 G100 E101F94-H98 AromaticContact CD1-ND1 3.96Å; F94-H98 AromaticContact CD2-CE1 3.71Å; F94-H98 AromaticContact CD2-ND1 3.51Å; F94-H98 AromaticContact CE1-ND1 3.76Å; F94-H98 AromaticContact CE2-CE1 3.44Å; F94-H98 VanDerWaalsContact CE2-CE1 3.44Å; F94-H98 WeakPolarHBondContact CE2-CE1 3.49Å; F94-H98 AromaticContact CE2-ND1 3.32Å; F94-H98 VanDerWaalsContact CE2-ND1 3.32Å; F94-H98 WeakPolarHBondContact CE2-ND1 3.28Å; F94-H98 AromaticContact CG-ND1 3.83Å; F94-H98 AromaticContact CZ-CE1 3.95Å; F94-H98 AromaticContact CZ-ND1 3.44Å; F94-H98 WeakPolarHBondContact CZ-ND1 3.42Å; F94-H98 PolarHBondContact O-N 2.63Å; F94-H98 PolarHBondContact O-ND1 2.7Å; H95-H98 CarbonylContact O-C 3.44Å; H98-G100 PolarHBondContact O-N 2.92Å; H98-E101 HydrophobicContact CB-CB 3.86Å; H98-E101 VanDerWaalsContact CB-OE2 3.25Å; H98-E101 WeakPolarHBondContact CB-OE2 3.46Å; H98-E101 IonicContact CG-OE2 3.45Å; H98-E101 IonicContact ND1-OE2 3.84Å; H98-E101 PolarHBondContact O-N 3.42Å
99P86.1Confident86.2Confident119 Ų11997.7 Ų97.777%0.77351%0.506SS*.THydrogen-bonded Turntrans-68.9-19.5-17528.2-35.9000114.2K97K97-P99 VanDerWaalsContact O-CD 3.26Å; K97-P99 WeakPolarHBondContact O-CD 3.45Å
100G85.1Confident86Confident68 Ų6892.4 Ų92.470%0.70148%0.483SS*.THydrogen-bonded Turntrans-100.3-1179.200000114.5H98 I102H98-G100 PolarHBondContact O-N 2.92Å; G100-I102 PolarHBondContact O-N 3.01Å
101E83.3Confident85.9Confident116 Ų11692.6 Ų92.654%0.54248%0.484SS..  trans-78.2112.2179.8-171.3172.2-170.300109.4F94 H98 C103F94-E101 WeakPolarHBondContact CE1-OE2 3.46Å; F94-E101 VanDerWaalsContact CZ-OE2 3.27Å; F94-E101 WeakPolarHBondContact CZ-OE2 3.42Å; H98-E101 HydrophobicContact CB-CB 3.86Å; H98-E101 VanDerWaalsContact CB-OE2 3.25Å; H98-E101 WeakPolarHBondContact CB-OE2 3.46Å; H98-E101 IonicContact CG-OE2 3.45Å; H98-E101 IonicContact ND1-OE2 3.84Å; H98-E101 PolarHBondContact O-N 3.42Å; E101-C103 PolarHBondContact O-N 2.91Å
102I77.9Confident85.9Confident144 Ų14494.9 Ų94.974%0.73849%0.491SS*.  trans-80119.6176.7-58.8174.3000107.3G100 V104G100-I102 PolarHBondContact O-N 3.01Å; I102-V104 PolarHBondContact O-N 3.39Å; I102-V104 VanDerWaalsContact O-N 3.1Å
103C75.1Confident85.8Confident107 Ų10790.8 Ų90.872%0.72347%0.473SS*.  trans-67.3108.6169.6-175.30000108.3E101 P105E101-C103 PolarHBondContact O-N 2.91Å; C103-P105 WeakPolarHBondContact O-CD 3.47Å
104V79.6Confident85.6Confident99 Ų9992.1 Ų92.160%0.648%0.477SS*.  trans-84113.7173.2-179.30000107.4I102 A108I102-V104 PolarHBondContact O-N 3.39Å; I102-V104 VanDerWaalsContact O-N 3.1Å; V104-A108 HydrophobicContact CG1-CB 3.62Å
105P84.4Confident85.6Confident76 Ų7692.7 Ų92.749%0.49448%0.481SS..  trans-63.8147176-18.432.5000109.8C103 S107 A108C103-P105 WeakPolarHBondContact O-CD 3.47Å; P105-S107 PolarHBondContact O-N 3.37Å; P105-A108 VanDerWaalsContact O-CB 3.3Å; P105-A108 WeakPolarHBondContact O-CB 3.49Å; P105-A108 PolarHBondContact O-N 3.16Å
106M84.5Confident85.6Confident35 Ų3589.1 Ų89.117%0.17247%0.465CS..THydrogen-bonded Turntrans-55.6-28.6176-179.4165.571.800112.4E13 E14 R17 A108 E109 F110E13-M106 HydrophobicContact CB-CE 3.52Å; E13-M106 HydrophobicContact CG-CE 3.25Å; E14-M106 HydrophobicContact CB-CE 4.03Å; E14-M106 HydrophobicContact CB-SD 3.59Å; E14-M106 VanDerWaalsContact CB-SD 3.59Å; E14-M106 HydrophobicContact CG-SD 3.87Å; R17-M106 HydrophobicContact CG-CE 4.44Å; M106-A108 PolarHBondContact O-N 2.94Å; M106-E109 PolarHBondContact O-N 2.83Å; M106-F110 HydrophobicContact CG-CD2 4.24Å; M106-F110 HydrophobicContact CG-CE2 3.68Å; M106-F110 VanDerWaalsContact O-CD2 3.25Å; M106-F110 WeakPolarHBondContact O-CD2 3.32Å; M106-F110 HydrophobicContact SD-CE2 4.33Å
107S87Confident85.5Confident32 Ų3280.9 Ų80.922%0.22443%0.434CS..Hα-helixtrans-56.7-29.4174.559.90000114P105 E109 F110 E111P105-S107 PolarHBondContact O-N 3.37Å; S107-E109 VanDerWaalsContact C-N 3.26Å; S107-E109 PolarHBondContact O-N 3.19Å; S107-F110 PolarHBondContact O-N 3.16Å; S107-F110 VanDerWaalsContact O-N 3.1Å; S107-E111 WeakPolarHBondContact O-CG 3.24Å; S107-E111 PolarHBondContact O-N 3.4Å
108A86.2Confident85.1Confident27 Ų2779.3 Ų79.322%0.22343%0.429CS..Hα-helixtrans-64.7-30-179.700000112.5V104 P105 M106 K112V104-A108 HydrophobicContact CG1-CB 3.62Å; P105-A108 VanDerWaalsContact O-CB 3.3Å; P105-A108 WeakPolarHBondContact O-CB 3.49Å; P105-A108 PolarHBondContact O-N 3.16Å; M106-A108 PolarHBondContact O-N 2.94Å; A108-K112 PolarHBondContact O-N 3.25Å
109E83.7Confident84.9Confident106 Ų10682.3 Ų82.350%0.49544%0.437SS..Hα-helixtrans-70.1-35.8174.2-63.4-175.2163.500111.4M106 S107 K112M106-E109 PolarHBondContact O-N 2.83Å; S107-E109 VanDerWaalsContact C-N 3.26Å; S107-E109 PolarHBondContact O-N 3.19Å; E109-K112 WeakPolarHBondContact O-CB 3.01Å; E109-K112 PolarHBondContact O-N 2.92Å
110F88.2Confident84.5Confident12 Ų1278.7 Ų78.75%0.05341%0.413CS..Hα-helixtrans-77.2-27.7177.4-64.4-81.5000112.9E14 R17 L18 E21 M106 S107 K112 Y113 K114E14-F110 HydrophobicContact CG-CZ 4.11Å; R17-F110 VanDerWaalsContact C-CE1 3.48Å; R17-F110 HydrophobicContact CB-CD1 3.85Å; R17-F110 HydrophobicContact CB-CD2 3.66Å; R17-F110 HydrophobicContact CB-CE1 3.58Å; R17-F110 HydrophobicContact CB-CE2 3.4Å; R17-F110 VanDerWaalsContact CB-CE2 3.4Å; R17-F110 HydrophobicContact CB-CG 3.89Å; R17-F110 HydrophobicContact CB-CZ 3.35Å; R17-F110 VanDerWaalsContact CD-CD2 3.43Å; R17-F110 VanDerWaalsContact CD-CE2 3.49Å; R17-F110 HydrophobicContact CG-CD2 4.15Å; R17-F110 HydrophobicContact CG-CE2 4.09Å; R17-F110 HydrophobicContact CG-CZ 4.47Å; L18-F110 HydrophobicContact CB-CE1 4.35Å; L18-F110 HydrophobicContact CD2-CE1 3.76Å; L18-F110 HydrophobicContact CD2-CZ 4.25Å; L18-F110 HydrophobicContact CG-CE1 3.73Å; L18-F110 HydrophobicContact CG-CZ 3.93Å; E21-F110 HydrophobicContact CB-CD1 4.28Å; E21-F110 HydrophobicContact CG-CB 3.91Å; E21-F110 HydrophobicContact CG-CD1 3.62Å; E21-F110 HydrophobicContact CG-CG 4.21Å; M106-F110 HydrophobicContact CG-CD2 4.24Å; M106-F110 HydrophobicContact CG-CE2 3.68Å; M106-F110 VanDerWaalsContact O-CD2 3.25Å; M106-F110 WeakPolarHBondContact O-CD2 3.32Å; M106-F110 HydrophobicContact SD-CE2 4.33Å; S107-F110 PolarHBondContact O-N 3.16Å; S107-F110 VanDerWaalsContact O-N 3.1Å; F110-K112 VanDerWaalsContact C-N 3.26Å; F110-K112 PolarHBondContact O-N 3.43Å; F110-Y113 HydrophobicContact CD1-CD2 4.26Å; F110-Y113 PolarHBondContact O-N 3.09Å; F110-K114 PolarHBondContact O-N 3.25Å
111E87.1Confident84Confident109 Ų10983.5 Ų83.551%0.50942%0.418SS..Hα-helixtrans-61.2-34.7169.2-75.7169-162.800111.7S107 Y113 K114 E115S107-E111 WeakPolarHBondContact O-CG 3.24Å; S107-E111 PolarHBondContact O-N 3.4Å; E111-Y113 VanDerWaalsContact C-N 3.34Å; E111-Y113 PolarHBondContact O-N 3.01Å; E111-K114 WeakPolarHBondContact O-CA 3.43Å; E111-K114 VanDerWaalsContact O-CB 3.3Å; E111-K114 WeakPolarHBondContact O-CB 3.38Å; E111-K114 PolarHBondContact O-N 3.09Å; E111-K114 VanDerWaalsContact O-N 3.11Å; E111-E115 WeakPolarHBondContact O-CG 3.11Å; E111-E115 PolarHBondContact O-N 3.36Å
112K86.5Confident83.3Confident120 Ų12084.7 Ų84.752%0.52242%0.423SS..Hα-helixtrans-62.7-38.1174.7-65.5176.2-177.5175.20112.8A108 E109 F110 K114 E115 M116A108-K112 PolarHBondContact O-N 3.25Å; E109-K112 WeakPolarHBondContact O-CB 3.01Å; E109-K112 PolarHBondContact O-N 2.92Å; F110-K112 VanDerWaalsContact C-N 3.26Å; F110-K112 PolarHBondContact O-N 3.43Å; K112-K114 VanDerWaalsContact C-N 3.28Å; K112-K114 PolarHBondContact O-N 3.46Å; K112-E115 PolarHBondContact O-N 3.35Å; K112-M116 WeakPolarHBondContact O-CB 3.45Å; K112-M116 VanDerWaalsContact O-CG 3.29Å; K112-M116 WeakPolarHBondContact O-CG 3.46Å; K112-M116 PolarHBondContact O-N 3.5Å
113Y88.3Confident82.5Confident49 Ų4978.7 Ų78.719%0.19240%0.395CS..Hα-helixtrans-63.3-38174.5-74.2-63.5000111.5M46 F110 E111 R117M46-Y113 HydrophobicContact CG-CD1 4.27Å; M46-Y113 HydrophobicContact CG-CD2 4.44Å; M46-Y113 HydrophobicContact CG-CE1 3.79Å; M46-Y113 HydrophobicContact CG-CE2 4.01Å; M46-Y113 HydrophobicContact SD-CD1 4.23Å; M46-Y113 HydrophobicContact SD-CD2 4.31Å; M46-Y113 HydrophobicContact SD-CE1 4.36Å; M46-Y113 HydrophobicContact SD-CE2 4.45Å; M46-Y113 HydrophobicContact SD-CG 4.21Å; F110-Y113 HydrophobicContact CD1-CD2 4.26Å; F110-Y113 PolarHBondContact O-N 3.09Å; E111-Y113 VanDerWaalsContact C-N 3.34Å; E111-Y113 PolarHBondContact O-N 3.01Å; Y113-R117 WeakPolarHBondContact O-CB 3.46Å; Y113-R117 PolarHBondContact O-N 3.08Å; Y113-R117 VanDerWaalsContact O-N 3.1Å
114K88.2Confident81.8Confident100 Ų10081.4 Ų81.444%0.43540%0.402SS..Hα-helixtrans-62.5-47.3173.1-175.4-171.8172.7-172.40111.5F110 E111 K112 R117 E118F110-K114 PolarHBondContact O-N 3.25Å; E111-K114 WeakPolarHBondContact O-CA 3.43Å; E111-K114 VanDerWaalsContact O-CB 3.3Å; E111-K114 WeakPolarHBondContact O-CB 3.38Å; E111-K114 PolarHBondContact O-N 3.09Å; E111-K114 VanDerWaalsContact O-N 3.11Å; K112-K114 VanDerWaalsContact C-N 3.28Å; K112-K114 PolarHBondContact O-N 3.46Å; K114-R117 PolarHBondContact O-N 3.17Å; K114-E118 WeakPolarHBondContact CE-OE1 3.45Å; K114-E118 WeakPolarHBondContact CE-OE2 3.38Å; K114-E118 HydrophobicContact CG-CG 4.38Å; K114-E118 WeakPolarHBondContact CG-OE1 3.13Å; K114-E118 IonicContact NZ-OE2 3.95Å; K114-E118 WeakPolarHBondContact O-CB 3.33Å; K114-E118 PolarHBondContact O-N 3.28Å
115E87.7Confident81.1Confident106 Ų10677.7 Ų77.750%0.49538%0.382SS..Hα-helixtrans-60.8-45176.7-69.6174.7174.200112.1E111 K112 R117 E118 R119 A123E111-E115 WeakPolarHBondContact O-CG 3.11Å; E111-E115 PolarHBondContact O-N 3.36Å; K112-E115 PolarHBondContact O-N 3.35Å; E115-R117 PolarHBondContact O-N 3.18Å; E115-E118 PolarHBondContact O-N 3.38Å; E115-R119 CarbonylContact O-C 3.6Å; E115-R119 VanDerWaalsContact O-C 3.25Å; E115-R119 VanDerWaalsContact O-CA 3.32Å; E115-R119 WeakPolarHBondContact O-CA 3.45Å; E115-R119 PolarHBondContact O-N 3.08Å; E115-A123 HydrophobicContact CB-CB 4.43Å
116M86.7Confident80Confident36 Ų3678 Ų7818%0.17738%0.382CS..Hα-helixtrans-62.5-29.7177.2-71.6-179.7-170.700113.4R42 K112 A123 V126R42-M116 PolarHBondContact NH1-O 2.82Å; K112-M116 WeakPolarHBondContact O-CB 3.45Å; K112-M116 VanDerWaalsContact O-CG 3.29Å; K112-M116 WeakPolarHBondContact O-CG 3.46Å; K112-M116 PolarHBondContact O-N 3.5Å; M116-A123 HydrophobicContact CG-CB 4.02Å; M116-V126 HydrophobicContact CE-CG2 4.24Å
117R88.3Confident79.4Confident13 Ų1380 Ų805%0.04939%0.393CS..Hα-helixtrans-81.4-46.6177.8175.5-179.849.3-112.64.3112E21 E25 Y28 Y113 K114 E115E21-R117 IonicContact OE2-CZ 2.71Å; E21-R117 IonicContact OE2-NH1 3.89Å; E21-R117 IonicContact OE2-NH2 3.96Å; E21-R117 PolarHBondContact OE2-NH2 3.06Å; E25-R117 WeakPolarHBondContact OE2-CD 3.36Å; E25-R117 IonicContact OE2-CZ 2.89Å; E25-R117 IonicContact OE2-NE 3.36Å; E25-R117 IonicContact OE2-NH1 3.75Å; E25-R117 PolarHBondContact OE2-NH1 3.29Å; Y28-R117 HydrophobicContact CD1-CG 4.01Å; Y28-R117 HydrophobicContact CD2-CG 3.74Å; Y28-R117 HydrophobicContact CE1-CG 4.21Å; Y28-R117 HydrophobicContact CE2-CG 3.95Å; Y28-R117 HydrophobicContact CG-CG 3.76Å; Y113-R117 WeakPolarHBondContact O-CB 3.46Å; Y113-R117 PolarHBondContact O-N 3.08Å; Y113-R117 VanDerWaalsContact O-N 3.1Å; K114-R117 PolarHBondContact O-N 3.17Å; E115-R117 PolarHBondContact O-N 3.18Å
118E85.3Confident79Confident111 Ų11179 Ų7952%0.51939%0.386SS..Hα-helixtrans-90.6-24.5-172-66.5175.3-167.500113.4K114 E115K114-E118 WeakPolarHBondContact CE-OE1 3.45Å; K114-E118 WeakPolarHBondContact CE-OE2 3.38Å; K114-E118 HydrophobicContact CG-CG 4.38Å; K114-E118 WeakPolarHBondContact CG-OE1 3.13Å; K114-E118 IonicContact NZ-OE2 3.95Å; K114-E118 WeakPolarHBondContact O-CB 3.33Å; K114-E118 PolarHBondContact O-N 3.28Å; E115-E118 PolarHBondContact O-N 3.38Å
119R83.6Confident79Confident144 Ų14484.3 Ų84.354%0.54341%0.41SS..  trans-139.563.3-176.5-55.9-168.4-171-177.1-0.6111.8E115 E121 E122 A123E115-R119 CarbonylContact O-C 3.6Å; E115-R119 VanDerWaalsContact O-C 3.25Å; E115-R119 VanDerWaalsContact O-CA 3.32Å; E115-R119 WeakPolarHBondContact O-CA 3.45Å; E115-R119 PolarHBondContact O-N 3.08Å; R119-E121 PolarHBondContact O-N 2.97Å; R119-E121 VanDerWaalsContact O-N 3.15Å; R119-E122 HydrophobicContact CB-CB 4.25Å; R119-E122 WeakPolarHBondContact CD-OE2 3.44Å; R119-E122 IonicContact CZ-OE2 3.91Å; R119-E122 IonicContact NE-OE2 2.72Å; R119-E122 IonicContact NH1-OE2 3.04Å; R119-E122 PolarHBondContact NH1-OE2 2.9Å; R119-E122 PolarHBondContact O-N 3.15Å; R119-A123 WeakPolarHBondContact O-CB 3.32Å; R119-A123 PolarHBondContact O-N 3.49Å
120P78.1Confident79.3Confident42 Ų4280.7 Ų80.727%0.27339%0.393SS..THydrogen-bonded Turntrans-63.5-21.6-175.226.5-35.6000114.1A123P120-A123 VanDerWaalsContact O-O 3.1Å
121E74.4Confident79.5Confident169 Ų16982.3 Ų82.379%0.7941%0.405SS*.THydrogen-bonded Turntrans-79.6-31.3177.7-60.1-175.1176.200113.2R119R119-E121 PolarHBondContact O-N 2.97Å; R119-E121 VanDerWaalsContact O-N 3.15Å
122E67.5Low79.5Confident142 Ų14284.6 Ų84.666%0.66442%0.421SS*.THydrogen-bonded Turntrans-89.1-37.7-179.8-64.7-177.8175.300111.5R119 N124R119-E122 HydrophobicContact CB-CB 4.25Å; R119-E122 WeakPolarHBondContact CD-OE2 3.44Å; R119-E122 IonicContact CZ-OE2 3.91Å; R119-E122 IonicContact NE-OE2 2.72Å; R119-E122 IonicContact NH1-OE2 3.04Å; R119-E122 PolarHBondContact NH1-OE2 2.9Å; R119-E122 PolarHBondContact O-N 3.15Å; E122-N124 PolarHBondContact O-N 2.89Å
123A61.2Low79.7Confident17 Ų1783.2 Ų83.214%0.1442%0.416CS..THydrogen-bonded Turntrans-68.4132.1171.300000108.1E115 M116 R119 P120 A125E115-A123 HydrophobicContact CB-CB 4.43Å; M116-A123 HydrophobicContact CG-CB 4.02Å; R119-A123 WeakPolarHBondContact O-CB 3.32Å; R119-A123 PolarHBondContact O-N 3.49Å; P120-A123 VanDerWaalsContact O-O 3.1Å; A123-A125 PolarHBondContact O-N 3.3Å
124N60.7Low80Confident165 Ų16581.2 Ų81.288%0.88241%0.409SS*.THydrogen-bonded Turntrans-64.571.4161.8-80.8-31.6000108.1E122 V126E122-N124 PolarHBondContact O-N 2.89Å; N124-V126 PolarHBondContact O-N 3.23Å
125A64.7Low80.1Confident21 Ų2177.6 Ų77.617%0.17440%0.4CS..  trans-59.1139.6-171.800000108.4A123 L127A123-A125 PolarHBondContact O-N 3.3Å; A125-L127 HydrophobicContact CB-CD2 4.09Å; A125-L127 HydrophobicContact CB-CG 4.26Å; A125-L127 PolarHBondContact O-N 3.27Å
126V62Low80.3Confident81 Ų8174.5 Ų74.549%0.49138%0.384SS..  trans-68.192.4166.2-177.10000106L41 L45 M116 N124L41-V126 HydrophobicContact CD2-CG1 3.97Å; L45-V126 HydrophobicContact CD1-CG1 4.48Å; M116-V126 HydrophobicContact CE-CG2 4.24Å; N124-V126 PolarHBondContact O-N 3.23Å
127L71.7Confident80.6Confident78 Ų7872.9 Ų72.941%0.40838%0.376SS..  trans-83.3142.4176.1-64.8174.9000108.4A125 D129A125-L127 HydrophobicContact CB-CD2 4.09Å; A125-L127 HydrophobicContact CB-CG 4.26Å; A125-L127 PolarHBondContact O-N 3.27Å; L127-D129 PolarHBondContact O-N 3.39Å
128I79.5Confident80.8Confident12 Ų1276.8 Ų76.86%0.06239%0.391CS..  trans-77.9119.9171.1-52.3-178.2000106.6L37 L41 F130 Y136 R199L37-I128 HydrophobicContact CD1-CD1 4.11Å; L37-I128 HydrophobicContact CD2-CD1 4.04Å; L37-I128 HydrophobicContact CG-CD1 3.62Å; L41-I128 HydrophobicContact CB-CD1 3.82Å; L41-I128 HydrophobicContact CB-CG1 4.17Å; L41-I128 HydrophobicContact CD1-CD1 4.35Å; L41-I128 HydrophobicContact CD1-CG1 4.41Å; L41-I128 HydrophobicContact CD2-CD1 4.07Å; L41-I128 HydrophobicContact CD2-CG1 3.46Å; L41-I128 VanDerWaalsContact CD2-CG1 3.46Å; L41-I128 HydrophobicContact CG-CD1 4.27Å; L41-I128 HydrophobicContact CG-CG1 4.19Å; I128-F130 HydrophobicContact CB-CD2 4.03Å; I128-F130 HydrophobicContact CB-CE2 3.66Å; I128-F130 HydrophobicContact CD1-CE2 4.46Å; I128-F130 HydrophobicContact CG2-CD2 3.76Å; I128-F130 HydrophobicContact CG2-CE2 3.23Å; I128-F130 HydrophobicContact CG2-CZ 3.87Å; I128-F130 WeakPolarHBondContact O-CD2 3.49Å; I128-F130 PolarHBondContact O-N 3.41Å; I128-Y136 PolarHBondContact N-OH 3.43Å; I128-Y136 VanDerWaalsContact O-CE2 3.31Å; I128-Y136 WeakPolarHBondContact O-CE2 3.47Å; I128-R199 WeakPolarHBondContact CD1-O 3.46Å; I128-R199 HydrophobicContact CG2-CB 3.54Å; I128-R199 HydrophobicContact CG2-CG 3.71Å
129D85.1Confident81.4Confident137 Ų13773.5 Ų73.573%0.73337%0.374SS*.  trans-70.5115.1177.6-64.6-32.8000109.1L127 R199L127-D129 PolarHBondContact O-N 3.39Å; D129-R199 WeakPolarHBondContact O-CD 3.24Å; D129-R199 PolarHBondContact O-NH1 3.48Å
130F91.2Very high82Confident31 Ų3166.8 Ų66.814%0.13635%0.349CS..  trans-119.2150.6169.3-75.9-86.5000110.2L37 I128 E134 Y136 G137 F196 R199 A200L37-F130 HydrophobicContact CD2-CD2 4.48Å; L37-F130 HydrophobicContact CD2-CE2 3.43Å; L37-F130 VanDerWaalsContact CD2-CE2 3.43Å; L37-F130 HydrophobicContact CD2-CZ 3.75Å; I128-F130 HydrophobicContact CB-CD2 4.03Å; I128-F130 HydrophobicContact CB-CE2 3.66Å; I128-F130 HydrophobicContact CD1-CE2 4.46Å; I128-F130 HydrophobicContact CG2-CD2 3.76Å; I128-F130 HydrophobicContact CG2-CE2 3.23Å; I128-F130 HydrophobicContact CG2-CZ 3.87Å; I128-F130 WeakPolarHBondContact O-CD2 3.49Å; I128-F130 PolarHBondContact O-N 3.41Å; F130-E134 WeakPolarHBondContact CA-OE2 3.31Å; F130-E134 HydrophobicContact CB-CB 4.18Å; F130-E134 HydrophobicContact CD1-CB 3.82Å; F130-E134 HydrophobicContact CD1-CG 4.44Å; F130-E134 VanDerWaalsContact CD1-OE2 3.29Å; F130-E134 WeakPolarHBondContact CD1-OE2 3.11Å; F130-E134 HydrophobicContact CG-CB 4.46Å; F130-Y136 HydrophobicContact CD2-CD1 4.28Å; F130-Y136 HydrophobicContact CD2-CD2 4.04Å; F130-Y136 HydrophobicContact CD2-CE2 4.36Å; F130-Y136 HydrophobicContact CD2-CG 4.01Å; F130-Y136 HydrophobicContact CE2-CD1 4.38Å; F130-G137 VanDerWaalsContact CD1-N 3.32Å; F130-F196 HydrophobicContact CD1-CE2 4.45Å; F130-F196 HydrophobicContact CE1-CD2 4.31Å; F130-F196 HydrophobicContact CE1-CE2 4.05Å; F130-R199 HydrophobicContact CE1-CB 3.93Å; F130-R199 HydrophobicContact CE2-CB 4.27Å; F130-R199 HydrophobicContact CZ-CB 3.6Å; F130-A200 HydrophobicContact CE1-CB 4.21Å; F130-A200 HydrophobicContact CZ-CB 4.06Å
131S90.9Very high82.8Confident46 Ų4666.9 Ų66.932%0.32235%0.347SS..  trans-69.1156.1165.678.80000110E133 E134 G135S131-E133 PolarHBondContact O-N 2.87Å; S131-E134 PolarHBondContact N-OE2 2.88Å; S131-E134 WeakPolarHBondContact O-CB 3.45Å; S131-E134 PolarHBondContact O-N 3.15Å; S131-E134 VanDerWaalsContact OG-CG 3.29Å; S131-E134 WeakPolarHBondContact OG-CG 3.46Å; S131-E134 PolarHBondContact OG-N 3Å; S131-G135 PolarHBondContact O-N 3.08Å
132D87.5Confident83.8Confident157 Ų15758.8 Ų58.884%0.8431%0.31SS*.G310 helixtrans-58.7-36.1177.2-57.7-28.3000111.2E134 G135D132-E134 VanDerWaalsContact C-N 3.32Å; D132-E134 PolarHBondContact O-N 3.12Å; D132-G135 PolarHBondContact O-N 3.22Å; D132-G135 VanDerWaalsContact O-N 3.15Å
133E90.7Very high85Confident90 Ų9056 Ų5642%0.42130%0.296SS..G310 helixtrans-69-27.2177.3-64-64.8171.400113.2S131 G135 D141 R359S131-E133 PolarHBondContact O-N 2.87Å; E133-G135 VanDerWaalsContact C-N 3.26Å; E133-G135 PolarHBondContact O-N 3.25Å; E133-D141 HydrophobicContact CB-CB 4Å; E133-R359 IonicContact OE2-CZ 3.43Å; E133-R359 IonicContact OE2-NH1 2.98Å; E133-R359 PolarHBondContact OE2-NH1 2.91Å; E133-R359 IonicContact OE2-NH2 3.24Å
134E94.4Very high86.6Confident7 Ų759.6 Ų59.63%0.03331%0.313CS..G310 helixtrans-75.1-16.7174.1-71.5172.4149.400112.3F130 S131 D132 Y136 G137 R138 Y139 D141 Y192 F196 R199F130-E134 WeakPolarHBondContact CA-OE2 3.31Å; F130-E134 HydrophobicContact CB-CB 4.18Å; F130-E134 HydrophobicContact CD1-CB 3.82Å; F130-E134 HydrophobicContact CD1-CG 4.44Å; F130-E134 VanDerWaalsContact CD1-OE2 3.29Å; F130-E134 WeakPolarHBondContact CD1-OE2 3.11Å; F130-E134 HydrophobicContact CG-CB 4.46Å; S131-E134 PolarHBondContact N-OE2 2.88Å; S131-E134 WeakPolarHBondContact O-CB 3.45Å; S131-E134 PolarHBondContact O-N 3.15Å; S131-E134 VanDerWaalsContact OG-CG 3.29Å; S131-E134 WeakPolarHBondContact OG-CG 3.46Å; S131-E134 PolarHBondContact OG-N 3Å; D132-E134 VanDerWaalsContact C-N 3.32Å; D132-E134 PolarHBondContact O-N 3.12Å; E134-Y136 VanDerWaalsContact C-N 3.34Å; E134-Y136 PolarHBondContact O-N 3.34Å; E134-G137 CarbonylContact O-C 3.57Å; E134-G137 PolarHBondContact O-N 3.31Å; E134-G137 VanDerWaalsContact O-N 3.12Å; E134-R138 PolarHBondContact O-N 3.38Å; E134-Y139 WeakPolarHBondContact CA-O 3.22Å; E134-Y139 PolarHBondContact O-N 3.45Å; E134-D141 HydrophobicContact CG-CB 4.01Å; E134-Y192 WeakPolarHBondContact OE1-CE2 3.46Å; E134-Y192 PolarHBondContact OE1-OH 3.37Å; E134-F196 HydrophobicContact CB-CE2 4.35Å; E134-F196 HydrophobicContact CG-CD2 4.32Å; E134-F196 HydrophobicContact CG-CE2 4.14Å; E134-F196 WeakPolarHBondContact OE1-CD2 3.41Å; E134-R199 IonicContact OE1-CZ 3.01Å; E134-R199 IonicContact OE1-NH1 2.65Å; E134-R199 IonicContact OE1-NH2 3.3Å; E134-R199 PolarHBondContact OE1-NH2 3.35Å; E134-R199 IonicContact OE2-CZ 3.87Å; E134-R199 IonicContact OE2-NH1 2.84Å; E134-R199 PolarHBondContact OE2-NH1 2.89Å; E134-R199 IonicContact OE2-NH2 3.39Å; E134-R199 PolarHBondContact OE2-NH2 3.13Å; E134-R199 VanDerWaalsContact OE2-NH2 3.17Å
135G90.7Very high88.3Confident24 Ų2452 Ų5225%0.24727%0.273CS..THydrogen-bonded Turntrans56.545.3176.300000113S131 D132 E133 G137 R138S131-G135 PolarHBondContact O-N 3.08Å; D132-G135 PolarHBondContact O-N 3.22Å; D132-G135 VanDerWaalsContact O-N 3.15Å; E133-G135 VanDerWaalsContact C-N 3.26Å; E133-G135 PolarHBondContact O-N 3.25Å; G135-G137 VanDerWaalsContact C-N 3.32Å; G135-G137 PolarHBondContact O-N 2.84Å; G135-R138 WeakPolarHBondContact O-CB 3.46Å; G135-R138 VanDerWaalsContact O-CG 3.3Å; G135-R138 WeakPolarHBondContact O-CG 3.39Å; G135-R138 PolarHBondContact O-N 3.12Å
136Y91.9Very high89.7Confident42 Ų4252.5 Ų52.517%0.16527%0.27CS..THydrogen-bonded Turntrans56.740.2-175.6-145.8-93.6000113.9H33 R34 L37 N38 I128 F130 E134H33-Y136 PolarHBondContact CE1-O 3.14Å; R34-Y136 HydrophobicContact CB-CD1 4.12Å; R34-Y136 HydrophobicContact CB-CE1 4.26Å; R34-Y136 HydrophobicContact CG-CD1 3.71Å; R34-Y136 HydrophobicContact CG-CD2 4.29Å; R34-Y136 HydrophobicContact CG-CE1 3.49Å; R34-Y136 VanDerWaalsContact CG-CE1 3.49Å; R34-Y136 HydrophobicContact CG-CE2 4.09Å; R34-Y136 HydrophobicContact CG-CG 4.1Å; L37-Y136 HydrophobicContact CB-CD1 4.45Å; L37-Y136 HydrophobicContact CB-CE1 4.29Å; L37-Y136 HydrophobicContact CD2-CD1 3.73Å; L37-Y136 HydrophobicContact CD2-CE1 3.9Å; L37-Y136 WeakPolarHBondContact CD2-O 3.42Å; L37-Y136 HydrophobicContact CG-CE1 4.38Å; N38-Y136 VanDerWaalsContact CG-OH 3.29Å; N38-Y136 PolarHBondContact ND2-OH 3.41Å; N38-Y136 PolarHBondContact OD1-OH 2.9Å; I128-Y136 PolarHBondContact N-OH 3.43Å; I128-Y136 VanDerWaalsContact O-CE2 3.31Å; I128-Y136 WeakPolarHBondContact O-CE2 3.47Å; F130-Y136 HydrophobicContact CD2-CD1 4.28Å; F130-Y136 HydrophobicContact CD2-CD2 4.04Å; F130-Y136 HydrophobicContact CD2-CE2 4.36Å; F130-Y136 HydrophobicContact CD2-CG 4.01Å; F130-Y136 HydrophobicContact CE2-CD1 4.38Å; E134-Y136 VanDerWaalsContact C-N 3.34Å; E134-Y136 PolarHBondContact O-N 3.34Å
137G93.5Very high91.2Very high1 Ų153.3 Ų53.31%0.0127%0.267CS..THydrogen-bonded Turntrans90.15.6178.400000114.9F130 E134 G135 H348F130-G137 VanDerWaalsContact CD1-N 3.32Å; E134-G137 CarbonylContact O-C 3.57Å; E134-G137 PolarHBondContact O-N 3.31Å; E134-G137 VanDerWaalsContact O-N 3.12Å; G135-G137 VanDerWaalsContact C-N 3.32Å; G135-G137 PolarHBondContact O-N 2.84Å; G137-H348 PolarHBondContact O-CE1 2.83Å; G137-H348 PolarHBondContact O-ND1 2.99Å
138R93.3Very high92.2Very high95 Ų9553.2 Ų53.236%0.35826%0.263SS..THydrogen-bonded Turntrans-73.9-36.2175-71.7-175.7-179.3-159.17112.6E134 G135E134-R138 PolarHBondContact O-N 3.38Å; G135-R138 WeakPolarHBondContact O-CB 3.46Å; G135-R138 VanDerWaalsContact O-CG 3.3Å; G135-R138 WeakPolarHBondContact O-CG 3.39Å; G135-R138 PolarHBondContact O-N 3.12Å
139Y96.1Very high92.9Very high42 Ų4253.7 Ų53.717%0.16527%0.265CS..SBendtrans-127.8158.6-171.9-48.2-55.5000111.4E134 F196 A351 T352 N355E134-Y139 WeakPolarHBondContact CA-O 3.22Å; E134-Y139 PolarHBondContact O-N 3.45Å; Y139-F196 WeakPolarHBondContact O-CE2 3.41Å; Y139-F196 WeakPolarHBondContact O-CZ 3.47Å; Y139-A351 HydrophobicContact CD1-CB 4.12Å; Y139-A351 HydrophobicContact CE1-CB 4.15Å; Y139-T352 WeakPolarHBondContact CA-OG1 3.45Å; Y139-N355 HydrophobicContact CD1-CB 3.92Å; Y139-N355 HydrophobicContact CE1-CB 3.6Å; Y139-N355 HydrophobicContact CE2-CB 4.43Å; Y139-N355 HydrophobicContact CG-CB 4.46Å
140L96.4Very high93.2Very high3 Ų350 Ų502%0.01625%0.245CC..  trans-98.5124174.1-60.1168.8000109.3L142 Y192 F196 V345 H348 R349 T352L140-L142 HydrophobicContact CB-CD1 4.34Å; L140-L142 HydrophobicContact CB-CG 4.01Å; L140-L142 HydrophobicContact CD1-CD1 4.41Å; L140-L142 PolarHBondContact O-N 2.84Å; L140-Y192 HydrophobicContact CD2-CE1 4.24Å; L140-F196 HydrophobicContact CD2-CD1 3.4Å; L140-F196 HydrophobicContact CD2-CD2 4Å; L140-F196 HydrophobicContact CD2-CE1 3.34Å; L140-F196 HydrophobicContact CD2-CE2 3.94Å; L140-F196 HydrophobicContact CD2-CG 3.74Å; L140-F196 HydrophobicContact CD2-CZ 3.62Å; L140-F196 HydrophobicContact CG-CE1 4.46Å; L140-F196 HydrophobicContact CG-CZ 4.48Å; L140-V345 HydrophobicContact CD1-CB 4.35Å; L140-V345 HydrophobicContact CD1-CG2 4.13Å; L140-V345 HydrophobicContact CD2-CB 4.42Å; L140-V345 HydrophobicContact CD2-CG1 4.49Å; L140-H348 HydrophobicContact CD1-CB 4.47Å; L140-H348 HydrophobicContact CD2-CB 4.35Å; L140-H348 HydrophobicContact CG-CB 4.13Å; L140-R349 HydrophobicContact CD1-CB 4.06Å; L140-T352 HydrophobicContact CB-CG2 4.47Å; L140-T352 PolarHBondContact N-OG1 3.48Å; L140-T352 WeakPolarHBondContact O-CG2 3.4Å
141D95.2Very high93.1Very high44 Ų4454.4 Ų54.424%0.23527%0.27CS..  trans-91.185168.4-175.16.9000110.4E133 E134 H143 Y192E133-D141 HydrophobicContact CB-CB 4Å; E134-D141 HydrophobicContact CG-CB 4.01Å; D141-H143 VanDerWaalsContact C-N 3.34Å; D141-H143 WeakPolarHBondContact OD1-CB 3.48Å; D141-H143 PolarHBondContact OD1-N 2.94Å; D141-Y192 PolarHBondContact N-OH 3.22Å; D141-Y192 WeakPolarHBondContact O-CE2 3.15Å; D141-Y192 VanDerWaalsContact O-CZ 3.31Å
142L95.9Very high93Very high0 Ų052.6 Ų52.60%026%0.257CS..  trans-93.313.3178.3-61.7177.2000112.9L140 D144 V145 Y146 Y160 Y163 I164 F167 L189 Y192L140-L142 HydrophobicContact CB-CD1 4.34Å; L140-L142 HydrophobicContact CB-CG 4.01Å; L140-L142 HydrophobicContact CD1-CD1 4.41Å; L140-L142 PolarHBondContact O-N 2.84Å; L142-D144 PolarHBondContact O-N 3.38Å; L142-V145 HydrophobicContact CD2-CG2 4.41Å; L142-V145 PolarHBondContact O-N 3.31Å; L142-Y146 VanDerWaalsContact O-CB 3.28Å; L142-Y146 WeakPolarHBondContact O-CB 3.39Å; L142-Y146 PolarHBondContact O-N 3.15Å; L142-Y160 HydrophobicContact CB-CE2 4.23Å; L142-Y160 PolarHBondContact N-OH 3.42Å; L142-Y160 VanDerWaalsContact N-OH 3.07Å; L142-Y163 HydrophobicContact CB-CE1 4.09Å; L142-Y163 HydrophobicContact CD1-CE1 4.36Å; L142-I164 HydrophobicContact CD1-CG1 4.41Å; L142-F167 HydrophobicContact CD1-CD1 3.83Å; L142-F167 HydrophobicContact CD1-CE1 3.86Å; L142-F167 HydrophobicContact CD1-CG 4.48Å; L142-L189 HydrophobicContact CD2-CD1 4.15Å; L142-Y192 HydrophobicContact CD2-CD1 3.35Å; L142-Y192 HydrophobicContact CD2-CE1 3.36Å; L142-Y192 HydrophobicContact CD2-CG 4.33Å; L142-Y192 HydrophobicContact CG-CE1 4.29Å
143H93.5Very high92.9Very high82 Ų8253.9 Ų53.938%0.3826%0.255SS..Hα-helixtrans-65.6-40.6-170.7-168.170.7000112.5D141 Y146 K147 Y160D141-H143 VanDerWaalsContact C-N 3.34Å; D141-H143 WeakPolarHBondContact OD1-CB 3.48Å; D141-H143 PolarHBondContact OD1-N 2.94Å; H143-Y146 WeakPolarHBondContact O-CB 3.44Å; H143-Y146 PolarHBondContact O-N 2.93Å; H143-K147 WeakPolarHBondContact CD2-CE 3.45Å; H143-K147 VanDerWaalsContact NE2-CE 3.31Å; H143-K147 WeakPolarHBondContact NE2-CE 3.32Å; H143-K147 WeakPolarHBondContact O-CG 3.49Å; H143-K147 PolarHBondContact O-N 3.24Å; H143-K147 VanDerWaalsContact O-N 3.09Å; H143-Y160 HydrophobicContact CB-CE2 4.28Å; H143-Y160 PolarHBondContact N-OH 2.93Å
144D94Very high92.3Very high94 Ų9452.3 Ų52.350%0.50326%0.263SS..Hα-helixtrans-71.2-37.2177.1-77-19.1000112.7L142 Y146 K147 K148L142-D144 PolarHBondContact O-N 3.38Å; D144-Y146 VanDerWaalsContact C-N 3.32Å; D144-Y146 PolarHBondContact O-N 3.48Å; D144-K147 WeakPolarHBondContact O-CB 3.47Å; D144-K147 PolarHBondContact O-N 2.94Å; D144-K147 IonicContact OD1-NZ 2.7Å; D144-K147 PolarHBondContact OD1-NZ 2.89Å; D144-K148 PolarHBondContact O-N 3.32Å
145V95.8Very high91.8Very high5 Ų552.9 Ų52.93%0.0327%0.267CS..Hα-helixtrans-64.3-40.5173.6-172.60000110.7L142 K147 K148 Y149 Y163 Y185 E188 L189 Y192L142-V145 HydrophobicContact CD2-CG2 4.41Å; L142-V145 PolarHBondContact O-N 3.31Å; V145-K147 PolarHBondContact O-N 3.01Å; V145-K148 WeakPolarHBondContact O-CB 3.49Å; V145-K148 PolarHBondContact O-N 3.49Å; V145-K148 VanDerWaalsContact O-N 3.09Å; V145-Y149 PolarHBondContact O-N 3.43Å; V145-Y163 WeakPolarHBondContact CG1-OH 3.45Å; V145-Y185 HydrophobicContact CG1-CD2 4.1Å; V145-Y185 HydrophobicContact CG1-CE2 3.77Å; V145-E188 HydrophobicContact CG2-CG 4.16Å; V145-L189 HydrophobicContact CG1-CB 3.67Å; V145-L189 HydrophobicContact CG1-CD1 3.91Å; V145-L189 HydrophobicContact CG1-CG 4.32Å; V145-Y192 HydrophobicContact CG2-CG 4.33Å
146Y95.3Very high91.4Very high31 Ų3155.8 Ų55.812%0.12228%0.281CS..Hα-helixtrans-60.9-40.4174.8167.9-113.8000112.4L142 H143 D144 K148 Y149 L150 I158 Y160 Y163L142-Y146 VanDerWaalsContact O-CB 3.28Å; L142-Y146 WeakPolarHBondContact O-CB 3.39Å; L142-Y146 PolarHBondContact O-N 3.15Å; H143-Y146 WeakPolarHBondContact O-CB 3.44Å; H143-Y146 PolarHBondContact O-N 2.93Å; D144-Y146 VanDerWaalsContact C-N 3.32Å; D144-Y146 PolarHBondContact O-N 3.48Å; Y146-K148 VanDerWaalsContact C-N 3.27Å; Y146-K148 PolarHBondContact O-N 3.41Å; Y146-Y149 HydrophobicContact CD2-CD1 4.42Å; Y146-Y149 WeakPolarHBondContact O-CB 3.42Å; Y146-Y149 PolarHBondContact O-N 2.87Å; Y146-Y149 VanDerWaalsContact O-N 3.16Å; Y146-L150 HydrophobicContact CD1-CD1 4.38Å; Y146-L150 HydrophobicContact CD2-CG 4.35Å; Y146-L150 HydrophobicContact CE1-CD1 3.79Å; Y146-L150 HydrophobicContact CE1-CG 4.41Å; Y146-L150 HydrophobicContact CE2-CD1 4.17Å; Y146-L150 HydrophobicContact CE2-CD2 3.88Å; Y146-L150 HydrophobicContact CE2-CG 3.93Å; Y146-L150 WeakPolarHBondContact O-CG 3.47Å; Y146-L150 PolarHBondContact O-N 3.44Å; Y146-I158 WeakPolarHBondContact CE2-O 3.41Å; Y146-I158 PolarHBondContact OH-O 3.02Å; Y146-Y160 AromaticContact CD1-CD2 3.64Å; Y146-Y160 HydrophobicContact CD1-CD2 3.64Å; Y146-Y160 HydrophobicContact CD1-CE2 4.47Å; Y146-Y160 HydrophobicContact CD1-CG 4.42Å; Y146-Y160 HydrophobicContact CD2-CD2 4.26Å; Y146-Y160 HydrophobicContact CE1-CD2 4.26Å; Y146-Y160 AromaticContact CG-CD2 3.63Å; Y146-Y160 HydrophobicContact CG-CD2 3.63Å; Y146-Y160 HydrophobicContact CG-CE2 4.3Å; Y146-Y163 AromaticContact CD2-CD1 3.88Å; Y146-Y163 HydrophobicContact CD2-CD1 3.88Å; Y146-Y163 HydrophobicContact CD2-CD2 4.03Å; Y146-Y163 AromaticContact CD2-CG 3.55Å; Y146-Y163 HydrophobicContact CD2-CG 3.55Å; Y146-Y163 HydrophobicContact CE2-CG 4.33Å; Y146-Y163 HydrophobicContact CG-CD1 4.24Å; Y146-Y163 HydrophobicContact CG-CG 4.36Å
147K93.5Very high91.2Very high98 Ų9864.5 Ų64.543%0.42631%0.314SS..Hα-helixtrans-58.8-39.4172.6-67.8169.7-168.3156.20111.6H143 D144 V145 L150 N151H143-K147 WeakPolarHBondContact CD2-CE 3.45Å; H143-K147 VanDerWaalsContact NE2-CE 3.31Å; H143-K147 WeakPolarHBondContact NE2-CE 3.32Å; H143-K147 WeakPolarHBondContact O-CG 3.49Å; H143-K147 PolarHBondContact O-N 3.24Å; H143-K147 VanDerWaalsContact O-N 3.09Å; D144-K147 WeakPolarHBondContact O-CB 3.47Å; D144-K147 PolarHBondContact O-N 2.94Å; D144-K147 IonicContact OD1-NZ 2.7Å; D144-K147 PolarHBondContact OD1-NZ 2.89Å; V145-K147 PolarHBondContact O-N 3.01Å; K147-L150 PolarHBondContact O-N 3.43Å; K147-N151 PolarHBondContact O-ND2 2.65Å
148K92.7Very high91.1Very high76 Ų7666.4 Ų66.433%0.3332%0.323SS..Hα-helixtrans-68.2-39.4175-63.5-164.9-167.9-173.30112.2D144 V145 Y146 L150 N151 Y185 E188D144-K148 PolarHBondContact O-N 3.32Å; V145-K148 WeakPolarHBondContact O-CB 3.49Å; V145-K148 PolarHBondContact O-N 3.49Å; V145-K148 VanDerWaalsContact O-N 3.09Å; Y146-K148 VanDerWaalsContact C-N 3.27Å; Y146-K148 PolarHBondContact O-N 3.41Å; K148-L150 VanDerWaalsContact C-N 3.33Å; K148-L150 PolarHBondContact O-N 2.83Å; K148-N151 WeakPolarHBondContact O-CB 3.28Å; K148-N151 PolarHBondContact O-N 3.49Å; K148-N151 VanDerWaalsContact O-N 3.09Å; K148-Y185 HydrophobicContact CB-CD2 4.45Å; K148-E188 HydrophobicContact CD-CB 3.8Å; K148-E188 HydrophobicContact CD-CG 3.81Å; K148-E188 VanDerWaalsContact CE-OE1 3.3Å; K148-E188 WeakPolarHBondContact CE-OE1 3.44Å; K148-E188 IonicContact NZ-OE1 3.59Å; K148-E188 PolarHBondContact NZ-OE1 2.84Å; K148-E188 IonicContact NZ-OE2 2.95Å; K148-E188 PolarHBondContact NZ-OE2 2.89Å
149Y92.9Very high91.1Very high22 Ų2265.7 Ų65.79%0.08633%0.327CS..Hα-helixtrans-57-44.9174172.1-94.2000112.1V145 Y146 N151 V152 V155 I158 Y163 Y185V145-Y149 PolarHBondContact O-N 3.43Å; Y146-Y149 HydrophobicContact CD2-CD1 4.42Å; Y146-Y149 WeakPolarHBondContact O-CB 3.42Å; Y146-Y149 PolarHBondContact O-N 2.87Å; Y146-Y149 VanDerWaalsContact O-N 3.16Å; Y149-N151 PolarHBondContact O-N 3.39Å; Y149-N151 VanDerWaalsContact O-N 3.13Å; Y149-V152 WeakPolarHBondContact O-CB 3.46Å; Y149-V152 WeakPolarHBondContact O-CG2 3.38Å; Y149-V152 PolarHBondContact O-N 2.9Å; Y149-V155 HydrophobicContact CE1-CG1 4.07Å; Y149-V155 HydrophobicContact CE2-CG1 3.66Å; Y149-V155 WeakPolarHBondContact OH-CG1 3.47Å; Y149-I158 HydrophobicContact CE1-CD1 3.87Å; Y149-I158 HydrophobicContact CE1-CG1 3.77Å; Y149-Y163 AromaticContact CD1-CD2 3.78Å; Y149-Y163 HydrophobicContact CD1-CD2 3.78Å; Y149-Y163 HydrophobicContact CD1-CE2 4.13Å; Y149-Y163 HydrophobicContact CD2-CD2 4.06Å; Y149-Y163 AromaticContact CD2-CE2 3.75Å; Y149-Y163 HydrophobicContact CD2-CE2 3.75Å; Y149-Y163 HydrophobicContact CE1-CD2 4.13Å; Y149-Y163 HydrophobicContact CE2-CD2 4.35Å; Y149-Y163 HydrophobicContact CE2-CE2 4.37Å; Y149-Y163 AromaticContact CG-CD2 3.74Å; Y149-Y163 HydrophobicContact CG-CD2 3.74Å; Y149-Y163 AromaticContact CG-CE2 3.59Å; Y149-Y163 HydrophobicContact CG-CE2 3.59Å; Y149-Y185 HydrophobicContact CD2-CE1 4.22Å; Y149-Y185 HydrophobicContact CD2-CE2 4.12Å; Y149-Y185 AromaticContact CD2-CZ 3.87Å; Y149-Y185 HydrophobicContact CG-CE2 4.36Å
150L92.1Very high90.9Very high60 Ų6065.6 Ų65.631%0.31433%0.326SS..Hα-helixtrans-61.4-22.3177.9-68.3178.8000113.6Y146 K147 K148 V152Y146-L150 HydrophobicContact CD1-CD1 4.38Å; Y146-L150 HydrophobicContact CD2-CG 4.35Å; Y146-L150 HydrophobicContact CE1-CD1 3.79Å; Y146-L150 HydrophobicContact CE1-CG 4.41Å; Y146-L150 HydrophobicContact CE2-CD1 4.17Å; Y146-L150 HydrophobicContact CE2-CD2 3.88Å; Y146-L150 HydrophobicContact CE2-CG 3.93Å; Y146-L150 WeakPolarHBondContact O-CG 3.47Å; Y146-L150 PolarHBondContact O-N 3.44Å; K147-L150 PolarHBondContact O-N 3.43Å; K148-L150 VanDerWaalsContact C-N 3.33Å; K148-L150 PolarHBondContact O-N 2.83Å; L150-V152 VanDerWaalsContact C-N 3.34Å
151N89.2Confident90.8Very high124 Ų12466.7 Ų66.766%0.66333%0.332SS*.THydrogen-bonded Turntrans-82.7-8.7176.5-68.1-34.8000113.4K147 K148 Y149 K153K147-N151 PolarHBondContact O-ND2 2.65Å; K148-N151 WeakPolarHBondContact O-CB 3.28Å; K148-N151 PolarHBondContact O-N 3.49Å; K148-N151 VanDerWaalsContact O-N 3.09Å; Y149-N151 PolarHBondContact O-N 3.39Å; Y149-N151 VanDerWaalsContact O-N 3.13Å; N151-K153 PolarHBondContact O-N 3.36Å
152V89.3Confident90.6Very high8 Ų866.7 Ų66.75%0.04833%0.333CS..SBendtrans-73.1117.4177.1-175.10000109.9Y149 L150 G154 V155 Y182 Y185Y149-V152 WeakPolarHBondContact O-CB 3.46Å; Y149-V152 WeakPolarHBondContact O-CG2 3.38Å; Y149-V152 PolarHBondContact O-N 2.9Å; L150-V152 VanDerWaalsContact C-N 3.34Å; V152-G154 PolarHBondContact O-N 2.76Å; V152-V155 HydrophobicContact CB-CG2 4.05Å; V152-V155 HydrophobicContact CG1-CG2 3.61Å; V152-Y182 HydrophobicContact CG1-CD2 4.12Å; V152-Y182 HydrophobicContact CG2-CD2 4.47Å; V152-Y185 HydrophobicContact CG2-CG 4.34Å
153K85.3Confident90.6Very high183 Ų18366.7 Ų66.780%0.79633%0.334SS*.THydrogen-bonded Turntrans-64.8131.2-175.2-66.6-174.3179.5-178.70112.1N151 V155N151-K153 PolarHBondContact O-N 3.36Å; K153-V155 VanDerWaalsContact C-N 3.32Å; K153-V155 PolarHBondContact O-N 2.81Å
154G77.7Confident90.6Very high57 Ų5762.8 Ų62.859%0.58832%0.316SS*.THydrogen-bonded Turntrans84.9-3.3172.200000115V152 K177V152-G154 PolarHBondContact O-N 2.76Å; G154-K177 WeakPolarHBondContact O-CD 3.19Å; G154-K177 WeakPolarHBondContact O-CE 3.31Å; G154-K177 PolarHBondContact O-NZ 3.46Å
155V83.4Confident90.5Very high19 Ų1959.8 Ų59.812%0.11530%0.302CS..SBendtrans-81.1139.7173.4-179.40000109Y149 V152 K153 R157 I173 K177Y149-V155 HydrophobicContact CE1-CG1 4.07Å; Y149-V155 HydrophobicContact CE2-CG1 3.66Å; Y149-V155 WeakPolarHBondContact OH-CG1 3.47Å; V152-V155 HydrophobicContact CB-CG2 4.05Å; V152-V155 HydrophobicContact CG1-CG2 3.61Å; K153-V155 VanDerWaalsContact C-N 3.32Å; K153-V155 PolarHBondContact O-N 2.81Å; V155-R157 PolarHBondContact O-N 3.02Å; V155-I173 HydrophobicContact CG2-CG2 4.42Å; V155-K177 HydrophobicContact CG2-CD 4.17Å
156P83.3Confident90.3Very high85 Ų8563.7 Ų63.755%0.55232%0.318SS*.  trans-59.4137177.824.4-34.6000111I158P156-I158 HydrophobicContact CB-CG2 4.47Å; P156-I158 PolarHBondContact O-N 3.44Å
157R87Confident90.1Very high226 Ų22662.4 Ų62.485%0.85331%0.314SS*.  trans-74.4110.5171-68.3-174.5174.9-171.9-2.4108.1V155V155-R157 PolarHBondContact O-N 3.02Å
158I91.3Very high90Very high41 Ų4159.4 Ų59.421%0.2130%0.302CS..  trans-112.8156.3176.459.1178.7000108.4Y146 Y149 P156 T162Y146-I158 WeakPolarHBondContact CE2-O 3.41Å; Y146-I158 PolarHBondContact OH-O 3.02Å; Y149-I158 HydrophobicContact CE1-CD1 3.87Å; Y149-I158 HydrophobicContact CE1-CG1 3.77Å; P156-I158 HydrophobicContact CB-CG2 4.47Å; P156-I158 PolarHBondContact O-N 3.44Å; I158-T162 HydrophobicContact CB-CG2 3.86Å; I158-T162 HydrophobicContact CD1-CG2 4.06Å; I158-T162 HydrophobicContact CG1-CG2 4.45Å; I158-T162 HydrophobicContact CG2-CG2 4.09Å
159D92.5Very high89.9Confident80 Ų8060.7 Ų60.743%0.42831%0.305SS..  trans-71.7168.2173.165.4-81.5000111.8L161 T162 Y163D159-L161 VanDerWaalsContact C-N 3.34Å; D159-L161 PolarHBondContact O-N 2.97Å; D159-L161 WeakPolarHBondContact OD2-CA 3.31Å; D159-L161 VanDerWaalsContact OD2-CB 3.32Å; D159-L161 WeakPolarHBondContact OD2-CB 3.33Å; D159-L161 PolarHBondContact OD2-N 3.41Å; D159-T162 VanDerWaalsContact CG-OG1 3.31Å; D159-T162 PolarHBondContact O-N 3.32Å; D159-T162 VanDerWaalsContact OD1-CB 3.32Å; D159-T162 WeakPolarHBondContact OD1-CB 3.42Å; D159-T162 PolarHBondContact OD1-OG1 3.3Å; D159-T162 PolarHBondContact OD2-N 2.95Å; D159-T162 PolarHBondContact OD2-OG1 3.38Å; D159-Y163 PolarHBondContact O-N 3.05Å
160Y93.6Very high89.8Confident39 Ų3959.7 Ų59.715%0.15330%0.301CS..Hα-helixtrans-62-38.3-176.2-177.1-116.8000113.3L142 H143 Y146 Y163 I164 V356L142-Y160 HydrophobicContact CB-CE2 4.23Å; L142-Y160 PolarHBondContact N-OH 3.42Å; L142-Y160 VanDerWaalsContact N-OH 3.07Å; H143-Y160 HydrophobicContact CB-CE2 4.28Å; H143-Y160 PolarHBondContact N-OH 2.93Å; Y146-Y160 AromaticContact CD1-CD2 3.64Å; Y146-Y160 HydrophobicContact CD1-CD2 3.64Å; Y146-Y160 HydrophobicContact CD1-CE2 4.47Å; Y146-Y160 HydrophobicContact CD1-CG 4.42Å; Y146-Y160 HydrophobicContact CD2-CD2 4.26Å; Y146-Y160 HydrophobicContact CE1-CD2 4.26Å; Y146-Y160 AromaticContact CG-CD2 3.63Å; Y146-Y160 HydrophobicContact CG-CD2 3.63Å; Y146-Y160 HydrophobicContact CG-CE2 4.3Å; Y160-Y163 HydrophobicContact CD2-CD1 4.46Å; Y160-Y163 WeakPolarHBondContact O-CB 3.46Å; Y160-Y163 PolarHBondContact O-N 3.04Å; Y160-I164 HydrophobicContact CD1-CD1 3.74Å; Y160-I164 HydrophobicContact CD1-CG1 4.49Å; Y160-I164 HydrophobicContact CE1-CD1 3.21Å; Y160-I164 HydrophobicContact CE1-CG1 4.13Å; Y160-I164 HydrophobicContact CE2-CD1 4.08Å; Y160-I164 HydrophobicContact CE2-CG1 4.12Å; Y160-I164 HydrophobicContact CG-CD1 4.38Å; Y160-I164 VanDerWaalsContact CZ-CD1 3.41Å; Y160-I164 WeakPolarHBondContact O-CG1 3.3Å; Y160-I164 PolarHBondContact O-N 2.95Å; Y160-V356 HydrophobicContact CD1-CG1 4.44Å; Y160-V356 HydrophobicContact CE1-CG2 4.16Å
161L92.8Very high89.5Confident26 Ų2661.8 Ų61.814%0.13631%0.306CS..Hα-helixtrans-68.9-42.1-178.9-178.267.2000110.7D159 Y163 I164 S165 I353 V356 Q357D159-L161 VanDerWaalsContact C-N 3.34Å; D159-L161 PolarHBondContact O-N 2.97Å; D159-L161 WeakPolarHBondContact OD2-CA 3.31Å; D159-L161 VanDerWaalsContact OD2-CB 3.32Å; D159-L161 WeakPolarHBondContact OD2-CB 3.33Å; D159-L161 PolarHBondContact OD2-N 3.41Å; L161-Y163 VanDerWaalsContact C-N 3.3Å; L161-Y163 PolarHBondContact O-N 2.97Å; L161-I164 PolarHBondContact O-N 2.97Å; L161-S165 PolarHBondContact O-N 3.36Å; L161-S165 VanDerWaalsContact O-N 3.12Å; L161-S165 PolarHBondContact O-OG 3.23Å; L161-I353 HydrophobicContact CD1-CB 4.41Å; L161-I353 HydrophobicContact CD1-CG2 3.97Å; L161-V356 HydrophobicContact CB-CG1 4.44Å; L161-V356 HydrophobicContact CD1-CB 4.14Å; L161-V356 HydrophobicContact CD1-CG1 3.94Å; L161-Q357 HydrophobicContact CD1-CG 3.87Å; L161-Q357 HydrophobicContact CD2-CG 3.62Å; L161-Q357 HydrophobicContact CG-CG 4.39Å
162T92.7Very high89.3Confident44 Ų4461.1 Ų61.127%0.2730%0.302SS..Hα-helixtrans-62.1-39.1171.9-59.90000111.3I158 D159 S165 F166I158-T162 HydrophobicContact CB-CG2 3.86Å; I158-T162 HydrophobicContact CD1-CG2 4.06Å; I158-T162 HydrophobicContact CG1-CG2 4.45Å; I158-T162 HydrophobicContact CG2-CG2 4.09Å; D159-T162 VanDerWaalsContact CG-OG1 3.31Å; D159-T162 PolarHBondContact O-N 3.32Å; D159-T162 VanDerWaalsContact OD1-CB 3.32Å; D159-T162 WeakPolarHBondContact OD1-CB 3.42Å; D159-T162 PolarHBondContact OD1-OG1 3.3Å; D159-T162 PolarHBondContact OD2-N 2.95Å; D159-T162 PolarHBondContact OD2-OG1 3.38Å; T162-S165 PolarHBondContact O-N 2.97Å; T162-F166 HydrophobicContact CG2-CD2 3.82Å; T162-F166 HydrophobicContact CG2-CE2 3.96Å; T162-F166 VanDerWaalsContact O-CD2 3.22Å; T162-F166 WeakPolarHBondContact O-CD2 3.24Å; T162-F166 PolarHBondContact O-N 3.41Å
163Y94.5Very high89.1Confident1 Ų161.8 Ų61.80%0.00431%0.305CS..Hα-helixtrans-62.8-50.5175.7171.1-96000112.4L142 V145 Y146 Y149 D159 Y160 L161 S165 F166 F167 Y185L142-Y163 HydrophobicContact CB-CE1 4.09Å; L142-Y163 HydrophobicContact CD1-CE1 4.36Å; V145-Y163 WeakPolarHBondContact CG1-OH 3.45Å; Y146-Y163 AromaticContact CD2-CD1 3.88Å; Y146-Y163 HydrophobicContact CD2-CD1 3.88Å; Y146-Y163 HydrophobicContact CD2-CD2 4.03Å; Y146-Y163 AromaticContact CD2-CG 3.55Å; Y146-Y163 HydrophobicContact CD2-CG 3.55Å; Y146-Y163 HydrophobicContact CE2-CG 4.33Å; Y146-Y163 HydrophobicContact CG-CD1 4.24Å; Y146-Y163 HydrophobicContact CG-CG 4.36Å; Y149-Y163 AromaticContact CD1-CD2 3.78Å; Y149-Y163 HydrophobicContact CD1-CD2 3.78Å; Y149-Y163 HydrophobicContact CD1-CE2 4.13Å; Y149-Y163 HydrophobicContact CD2-CD2 4.06Å; Y149-Y163 AromaticContact CD2-CE2 3.75Å; Y149-Y163 HydrophobicContact CD2-CE2 3.75Å; Y149-Y163 HydrophobicContact CE1-CD2 4.13Å; Y149-Y163 HydrophobicContact CE2-CD2 4.35Å; Y149-Y163 HydrophobicContact CE2-CE2 4.37Å; Y149-Y163 AromaticContact CG-CD2 3.74Å; Y149-Y163 HydrophobicContact CG-CD2 3.74Å; Y149-Y163 AromaticContact CG-CE2 3.59Å; Y149-Y163 HydrophobicContact CG-CE2 3.59Å; D159-Y163 PolarHBondContact O-N 3.05Å; Y160-Y163 HydrophobicContact CD2-CD1 4.46Å; Y160-Y163 WeakPolarHBondContact O-CB 3.46Å; Y160-Y163 PolarHBondContact O-N 3.04Å; L161-Y163 VanDerWaalsContact C-N 3.3Å; L161-Y163 PolarHBondContact O-N 2.97Å; Y163-S165 PolarHBondContact O-N 3.36Å; Y163-F166 CarbonylContact O-C 3.25Å; Y163-F166 PolarHBondContact O-N 3.41Å; Y163-F166 VanDerWaalsContact O-N 3.08Å; Y163-F167 HydrophobicContact CE1-CB 4.22Å; Y163-F167 HydrophobicContact CE2-CB 4.03Å; Y163-F167 PolarHBondContact O-N 3.43Å; Y163-Y185 HydrophobicContact CE2-CE2 4.1Å; Y163-Y185 WeakPolarHBondContact CE2-OH 3.43Å; Y163-Y185 WeakPolarHBondContact OH-CE2 3.49Å; Y163-Y185 PolarHBondContact OH-OH 2.98Å
164I93.9Very high89Confident0 Ų055.3 Ų55.30%028%0.283CS..Hα-helixtrans-57.2-37.9177.7-67.1170000110.7L142 Y160 L161 F166 F167 R349 T352 I353 V356L142-I164 HydrophobicContact CD1-CG1 4.41Å; Y160-I164 HydrophobicContact CD1-CD1 3.74Å; Y160-I164 HydrophobicContact CD1-CG1 4.49Å; Y160-I164 HydrophobicContact CE1-CD1 3.21Å; Y160-I164 HydrophobicContact CE1-CG1 4.13Å; Y160-I164 HydrophobicContact CE2-CD1 4.08Å; Y160-I164 HydrophobicContact CE2-CG1 4.12Å; Y160-I164 HydrophobicContact CG-CD1 4.38Å; Y160-I164 VanDerWaalsContact CZ-CD1 3.41Å; Y160-I164 WeakPolarHBondContact O-CG1 3.3Å; Y160-I164 PolarHBondContact O-N 2.95Å; L161-I164 PolarHBondContact O-N 2.97Å; I164-F166 VanDerWaalsContact C-N 3.25Å; I164-F166 PolarHBondContact O-N 3.17Å; I164-F167 WeakPolarHBondContact O-CD1 3.44Å; I164-R349 HydrophobicContact CG2-CG 3.9Å; I164-R349 WeakPolarHBondContact O-CD 3.22Å; I164-T352 HydrophobicContact CD1-CG2 3.83Å; I164-I353 HydrophobicContact CB-CG1 4.36Å; I164-I353 HydrophobicContact CG2-CD1 4.19Å; I164-I353 HydrophobicContact CG2-CG1 3.6Å; I164-V356 HydrophobicContact CD1-CG2 4.19Å
165S92.4Very high89.2Confident31 Ų3156.3 Ų56.322%0.21727%0.269CS..Hα-helixtrans-66.9-25.1-178.4-58.40000113.6L161 T162 Y163L161-S165 PolarHBondContact O-N 3.36Å; L161-S165 VanDerWaalsContact O-N 3.12Å; L161-S165 PolarHBondContact O-OG 3.23Å; T162-S165 PolarHBondContact O-N 2.97Å; Y163-S165 PolarHBondContact O-N 3.36Å
166F90.3Very high89.1Confident86 Ų8661 Ų6138%0.37729%0.294SS..Hα-helixtrans-134.412.4-168.4-55.2-50.3000114.9T162 Y163 I164 D168 R169T162-F166 HydrophobicContact CG2-CD2 3.82Å; T162-F166 HydrophobicContact CG2-CE2 3.96Å; T162-F166 VanDerWaalsContact O-CD2 3.22Å; T162-F166 WeakPolarHBondContact O-CD2 3.24Å; T162-F166 PolarHBondContact O-N 3.41Å; Y163-F166 CarbonylContact O-C 3.25Å; Y163-F166 PolarHBondContact O-N 3.41Å; Y163-F166 VanDerWaalsContact O-N 3.08Å; I164-F166 VanDerWaalsContact C-N 3.25Å; I164-F166 PolarHBondContact O-N 3.17Å; F166-D168 PolarHBondContact O-N 3.42Å; F166-D168 VanDerWaalsContact O-N 3.12Å; F166-R169 HydrophobicContact CB-CB 4.42Å; F166-R169 HydrophobicContact CB-CG 4.18Å; F166-R169 HydrophobicContact CD1-CG 4.3Å; F166-R169 VanDerWaalsContact CE1-NH1 3.26Å; F166-R169 VanDerWaalsContact CE1-NH2 3.3Å; F166-R169 WeakPolarHBondContact O-CB 3.49Å; F166-R169 PolarHBondContact O-N 3.35Å
167F92.5Very high89Confident5 Ų560 Ų602%0.02228%0.28CS..THydrogen-bonded Turntrans-60.8-24.3-179.474.7-101.9000112.8L142 Y163 I164 R169 L170 L189 L193 S342 V345 R349L142-F167 HydrophobicContact CD1-CD1 3.83Å; L142-F167 HydrophobicContact CD1-CE1 3.86Å; L142-F167 HydrophobicContact CD1-CG 4.48Å; Y163-F167 HydrophobicContact CE1-CB 4.22Å; Y163-F167 HydrophobicContact CE2-CB 4.03Å; Y163-F167 PolarHBondContact O-N 3.43Å; I164-F167 WeakPolarHBondContact O-CD1 3.44Å; F167-R169 VanDerWaalsContact C-N 3.34Å; F167-L170 VanDerWaalsContact O-CD2 3.24Å; F167-L170 WeakPolarHBondContact O-CD2 3.27Å; F167-L189 HydrophobicContact CD2-CD1 4.2Å; F167-L189 HydrophobicContact CD2-CD2 4.04Å; F167-L193 HydrophobicContact CE2-CD1 4.04Å; F167-S342 WeakPolarHBondContact CE2-OG 3.1Å; F167-V345 HydrophobicContact CZ-CG2 4.26Å; F167-R349 HydrophobicContact CE1-CG 4.06Å
168D91.3Very high89Confident35 Ų3549.7 Ų49.719%0.18724%0.242CC..THydrogen-bonded Turntrans-82.5-7.317667.4-27.9000113.1F166 L170 Y339 S342 R349F166-D168 PolarHBondContact O-N 3.42Å; F166-D168 VanDerWaalsContact O-N 3.12Å; D168-L170 PolarHBondContact O-N 2.73Å; D168-Y339 WeakPolarHBondContact O-CD1 3.19Å; D168-Y339 WeakPolarHBondContact O-CE1 3.2Å; D168-S342 WeakPolarHBondContact CB-OG 3.33Å; D168-R349 IonicContact OD1-NH1 3.1Å; D168-R349 PolarHBondContact OD1-NH1 3.18Å; D168-R349 VanDerWaalsContact OD1-NH1 3.15Å; D168-R349 IonicContact OD2-CZ 3.98Å; D168-R349 IonicContact OD2-NH1 2.65Å; D168-R349 PolarHBondContact OD2-NH1 2.92Å; D168-R349 IonicContact OD2-NH2 3.15Å
169R90Very high88.8Confident102 Ų10249.5 Ų49.539%0.38525%0.25SC..  trans-86.848.4178.1-56.2-164.7179.2174.51.4112.7F166 F167 Y171 D172F166-R169 HydrophobicContact CB-CB 4.42Å; F166-R169 HydrophobicContact CB-CG 4.18Å; F166-R169 HydrophobicContact CD1-CG 4.3Å; F166-R169 VanDerWaalsContact CE1-NH1 3.26Å; F166-R169 VanDerWaalsContact CE1-NH2 3.3Å; F166-R169 WeakPolarHBondContact O-CB 3.49Å; F166-R169 PolarHBondContact O-N 3.35Å; F167-R169 VanDerWaalsContact C-N 3.34Å; R169-Y171 HydrophobicContact CB-CE1 4.22Å; R169-Y171 HydrophobicContact CB-CE2 4.21Å; R169-Y171 HydrophobicContact CG-CE1 4.35Å; R169-Y171 WeakPolarHBondContact CG-OH 3.47Å; R169-Y171 PolarHBondContact O-N 3.39Å; R169-Y171 VanDerWaalsContact O-N 3.08Å; R169-D172 PolarHBondContact O-N 2.58Å; R169-D172 VanDerWaalsContact O-N 3.07Å
170L90.5Very high88.7Confident2 Ų253.2 Ų53.21%0.0127%0.268CS..G310 helixtrans-64.5-16.2-178.6-55.4175.4000112.9F167 D168 D172 I173 K178 Y185 L186 E335 I338 Y339F167-L170 VanDerWaalsContact O-CD2 3.24Å; F167-L170 WeakPolarHBondContact O-CD2 3.27Å; D168-L170 PolarHBondContact O-N 2.73Å; L170-D172 VanDerWaalsContact C-N 3.31Å; L170-I173 HydrophobicContact CD2-CD1 4.35Å; L170-I173 PolarHBondContact O-N 2.64Å; L170-K178 PolarHBondContact O-NZ 2.94Å; L170-Y185 HydrophobicContact CD2-CE1 4.29Å; L170-L186 HydrophobicContact CD1-CD2 3.76Å; L170-L186 HydrophobicContact CD2-CD2 3.93Å; L170-L186 HydrophobicContact CG-CD2 4.48Å; L170-E335 HydrophobicContact CB-CG 4.21Å; L170-E335 HydrophobicContact CD1-CB 4.13Å; L170-E335 HydrophobicContact CD1-CG 3.84Å; L170-I338 HydrophobicContact CD1-CB 4.11Å; L170-I338 HydrophobicContact CD1-CD1 4.07Å; L170-I338 HydrophobicContact CD1-CG2 3.87Å; L170-Y339 HydrophobicContact CB-CE1 3.85Å; L170-Y339 HydrophobicContact CD1-CE1 4.1Å; L170-Y339 HydrophobicContact CG-CE1 4.09Å
171Y86.9Confident88.6Confident104 Ų10453.8 Ų53.841%0.40828%0.281SS..G310 helixtrans-71.9-20.6175.252.1-101.3000113.6R169 I173 P227 Y339R169-Y171 HydrophobicContact CB-CE1 4.22Å; R169-Y171 HydrophobicContact CB-CE2 4.21Å; R169-Y171 HydrophobicContact CG-CE1 4.35Å; R169-Y171 WeakPolarHBondContact CG-OH 3.47Å; R169-Y171 PolarHBondContact O-N 3.39Å; R169-Y171 VanDerWaalsContact O-N 3.08Å; Y171-I173 VanDerWaalsContact C-N 3.29Å; Y171-P227 HydrophobicContact CD1-CB 4.48Å; Y171-Y339 HydrophobicContact CD1-CE1 4.48Å; Y171-Y339 PolarHBondContact N-OH 3.25Å
172D84.9Confident88.6Confident110 Ų11052.6 Ų52.659%0.58828%0.275SS*.G310 helixtrans-77.9-16.4176.4-68.5-25.2000112.2R169 L170 S174R169-D172 PolarHBondContact O-N 2.58Å; R169-D172 VanDerWaalsContact O-N 3.07Å; L170-D172 VanDerWaalsContact C-N 3.31Å; D172-S174 PolarHBondContact O-N 2.81Å
173I85.2Confident88.6Confident22 Ų2253.2 Ų53.211%0.11327%0.274CS..SBendtrans-81.8112.2179.6-59175.2000109.2V155 L170 Y171 K177 K178 Y182V155-I173 HydrophobicContact CG2-CG2 4.42Å; L170-I173 HydrophobicContact CD2-CD1 4.35Å; L170-I173 PolarHBondContact O-N 2.64Å; Y171-I173 VanDerWaalsContact C-N 3.29Å; I173-K177 HydrophobicContact CG2-CB 4.05Å; I173-K178 HydrophobicContact CG2-CG 4.34Å; I173-K178 WeakPolarHBondContact O-CE 3.33Å; I173-Y182 HydrophobicContact CD1-CD2 4.43Å; I173-Y182 HydrophobicContact CD1-CE2 3.51Å; I173-Y182 HydrophobicContact CG2-CE2 4.26Å
174S82.3Confident88.6Confident46 Ų4655.3 Ų55.332%0.32229%0.291SS..  trans-57.6144.7178.4-175.20000112.9D172 D176 K177D172-S174 PolarHBondContact O-N 2.81Å; S174-D176 VanDerWaalsContact C-N 3.25Å; S174-D176 WeakPolarHBondContact CB-OD1 3.37Å; S174-D176 PolarHBondContact O-N 3.32Å; S174-D176 PolarHBondContact OG-OD1 2.89Å; S174-K177 WeakPolarHBondContact O-CB 3.34Å; S174-K177 PolarHBondContact O-N 3.15Å
175R81.9Confident88.7Confident78 Ų7855.4 Ų55.429%0.29429%0.292SS..G310 helixtrans-60.5-29.5-172.6-62.5-168.7-166.2176.715.7114.4K177 K178 G228 W229 G230R175-K177 PolarHBondContact O-N 3.22Å; R175-K178 PolarHBondContact O-N 3.32Å; R175-G228 PolarHBondContact NE-O 2.94Å; R175-W229 HydrophobicContact CG-CZ3 4.48Å; R175-W229 PolarHBondContact NH2-O 3.24Å; R175-G230 PolarHBondContact NH2-O 3.28Å
176D80.4Confident88.9Confident119 Ų11954 Ų5464%0.63628%0.281SS*.G310 helixtrans-64-23.1176.961.9-64.9000112.8S174S174-D176 VanDerWaalsContact C-N 3.25Å; S174-D176 WeakPolarHBondContact CB-OD1 3.37Å; S174-D176 PolarHBondContact O-N 3.32Å; S174-D176 PolarHBondContact OG-OD1 2.89Å
177K82.8Confident89.2Confident63 Ų6354.5 Ų54.527%0.27429%0.285SS..G310 helixtrans-89.5-13.5178.8-55.2179.4-173.11790113G154 V155 I173 S174 R175 G179G154-K177 WeakPolarHBondContact O-CD 3.19Å; G154-K177 WeakPolarHBondContact O-CE 3.31Å; G154-K177 PolarHBondContact O-NZ 3.46Å; V155-K177 HydrophobicContact CG2-CD 4.17Å; I173-K177 HydrophobicContact CG2-CB 4.05Å; S174-K177 WeakPolarHBondContact O-CB 3.34Å; S174-K177 PolarHBondContact O-N 3.15Å; R175-K177 PolarHBondContact O-N 3.22Å; K177-G179 PolarHBondContact O-N 3.38Å
178K87.1Confident89.4Confident10 Ų1057.9 Ų57.94%0.04330%0.301CS..  trans-77.858.4-179-58.8-166.9176.1-170.30112.2L170 I173 R175 Y182 W229 I331 E335L170-K178 PolarHBondContact O-NZ 2.94Å; I173-K178 HydrophobicContact CG2-CG 4.34Å; I173-K178 WeakPolarHBondContact O-CE 3.33Å; R175-K178 PolarHBondContact O-N 3.32Å; K178-Y182 HydrophobicContact CB-CD1 3.67Å; K178-Y182 HydrophobicContact CB-CE1 3.95Å; K178-Y182 HydrophobicContact CB-CG 4.48Å; K178-Y182 HydrophobicContact CD-CD1 4.38Å; K178-Y182 HydrophobicContact CD-CE1 3.76Å; K178-Y182 HydrophobicContact CG-CD1 3.74Å; K178-Y182 HydrophobicContact CG-CE1 3.54Å; K178-W229 HydrophobicContact CD-CH2 3.93Å; K178-W229 HydrophobicContact CD-CZ2 3.42Å; K178-W229 VanDerWaalsContact CD-CZ2 3.42Å; K178-I331 HydrophobicContact CD-CG2 4.4Å; K178-I331 WeakPolarHBondContact O-CD1 3.46Å; K178-E335 WeakPolarHBondContact CD-OE1 3.43Å; K178-E335 VanDerWaalsContact CE-OE1 3.23Å; K178-E335 WeakPolarHBondContact CE-OE1 3.5Å; K178-E335 IonicContact NZ-OE1 2.85Å; K178-E335 PolarHBondContact NZ-OE1 2.97Å; K178-E335 IonicContact NZ-OE2 3Å; K178-E335 PolarHBondContact NZ-OE2 3.25Å
179G86.6Confident89.7Confident37 Ų3756.2 Ų56.238%0.38129%0.292SS..SBendtrans-93.3-162.1179.200000114K177 A181 Y182 K183K177-G179 PolarHBondContact O-N 3.38Å; G179-A181 PolarHBondContact O-N 3.22Å; G179-Y182 WeakPolarHBondContact O-CB 3.26Å; G179-Y182 PolarHBondContact O-N 3.34Å; G179-K183 PolarHBondContact O-N 2.89Å
180I89.9Confident90Very high157 Ų15751.7 Ų51.781%0.80528%0.275SS*.Hα-helixtrans-61-45.4-177.7-60.7169.3000112Y182 K183 A184I180-Y182 VanDerWaalsContact C-N 3.27Å; I180-Y182 PolarHBondContact O-N 3.07Å; I180-K183 PolarHBondContact O-N 3.38Å; I180-A184 PolarHBondContact O-N 3.01Å
181A91.6Very high90.3Very high52 Ų5253.4 Ų53.443%0.4329%0.293SS..Hα-helixtrans-63.4-34.417900000112.3G179 Y185G179-A181 PolarHBondContact O-N 3.22Å; A181-Y185 PolarHBondContact O-N 3.32Å; A181-Y185 VanDerWaalsContact O-N 3.08Å
182Y93.2Very high90.8Very high1 Ų150.2 Ų50.20%0.00428%0.281CS..Hα-helixtrans-69.5-44.5175.4-180-109.3000111.5V152 I173 K178 G179 I180 A184 Y185 L186 I331 E335V152-Y182 HydrophobicContact CG1-CD2 4.12Å; V152-Y182 HydrophobicContact CG2-CD2 4.47Å; I173-Y182 HydrophobicContact CD1-CD2 4.43Å; I173-Y182 HydrophobicContact CD1-CE2 3.51Å; I173-Y182 HydrophobicContact CG2-CE2 4.26Å; K178-Y182 HydrophobicContact CB-CD1 3.67Å; K178-Y182 HydrophobicContact CB-CE1 3.95Å; K178-Y182 HydrophobicContact CB-CG 4.48Å; K178-Y182 HydrophobicContact CD-CD1 4.38Å; K178-Y182 HydrophobicContact CD-CE1 3.76Å; K178-Y182 HydrophobicContact CG-CD1 3.74Å; K178-Y182 HydrophobicContact CG-CE1 3.54Å; G179-Y182 WeakPolarHBondContact O-CB 3.26Å; G179-Y182 PolarHBondContact O-N 3.34Å; I180-Y182 VanDerWaalsContact C-N 3.27Å; I180-Y182 PolarHBondContact O-N 3.07Å; Y182-A184 VanDerWaalsContact C-N 3.33Å; Y182-A184 PolarHBondContact O-N 3.34Å; Y182-Y185 AromaticContact CD2-CD1 3.87Å; Y182-Y185 HydrophobicContact CD2-CD1 3.87Å; Y182-Y185 HydrophobicContact CD2-CE1 4.4Å; Y182-Y185 AromaticContact CE2-CD1 3.94Å; Y182-Y185 HydrophobicContact CE2-CD1 3.94Å; Y182-Y185 HydrophobicContact CE2-CE1 4.03Å; Y182-Y185 WeakPolarHBondContact O-CB 3.43Å; Y182-Y185 PolarHBondContact O-N 3.41Å; Y182-Y185 VanDerWaalsContact O-N 3.16Å; Y182-L186 HydrophobicContact CD1-CD1 4.01Å; Y182-L186 HydrophobicContact CD1-CG 4.28Å; Y182-L186 HydrophobicContact CE1-CD1 3.48Å; Y182-L186 VanDerWaalsContact CE1-CD1 3.48Å; Y182-L186 HydrophobicContact CE1-CD2 4.33Å; Y182-L186 HydrophobicContact CE1-CG 3.95Å; Y182-L186 HydrophobicContact CE2-CD2 4.12Å; Y182-L186 HydrophobicContact CE2-CG 4.31Å; Y182-L186 WeakPolarHBondContact O-CG 3.35Å; Y182-L186 PolarHBondContact O-N 3.45Å; Y182-I331 HydrophobicContact CD1-CG2 4.11Å; Y182-I331 HydrophobicContact CE1-CG2 3.88Å; Y182-E335 WeakPolarHBondContact CE1-OE1 3.4Å; Y182-E335 PolarHBondContact OH-OE1 3.31Å
183K93.1Very high91.4Very high57 Ų5745 Ų4525%0.24825%0.253CS..Hα-helixtrans-57-46.6174.6-175.5176.9175.4-179.50111.5G179 I180 Y185 L186 E187 E330 I331 L334G179-K183 PolarHBondContact O-N 2.89Å; I180-K183 PolarHBondContact O-N 3.38Å; K183-Y185 VanDerWaalsContact C-N 3.31Å; K183-Y185 PolarHBondContact O-N 3.48Å; K183-L186 PolarHBondContact O-N 3.46Å; K183-L186 VanDerWaalsContact O-N 3.13Å; K183-E187 WeakPolarHBondContact CE-OE1 3.23Å; K183-E187 IonicContact NZ-OE1 2.77Å; K183-E187 WeakPolarHBondContact O-CG 3.36Å; K183-E187 PolarHBondContact O-N 3.47Å; K183-E330 IonicContact NZ-OE2 3.2Å; K183-E330 PolarHBondContact NZ-OE2 3.4Å; K183-I331 HydrophobicContact CB-CG1 4.33Å; K183-I331 HydrophobicContact CD-CG1 4.36Å; K183-I331 HydrophobicContact CG-CG1 4.37Å; K183-L334 HydrophobicContact CG-CD1 4.06Å
184A94.2Very high92Very high45 Ų4546.2 Ų46.237%0.37226%0.258SS..Hα-helixtrans-62.9-35.3177.400000113.1I180 Y182 E188I180-A184 PolarHBondContact O-N 3.01Å; Y182-A184 VanDerWaalsContact C-N 3.33Å; Y182-A184 PolarHBondContact O-N 3.34Å; A184-E188 PolarHBondContact O-N 3.36Å
185Y95.3Very high92.6Very high2 Ų247.8 Ų47.81%0.00826%0.263CS..Hα-helixtrans-63.5-46.2171153-103.3000111.8V145 K148 Y149 V152 Y163 L170 A181 Y182 K183 E188 L189V145-Y185 HydrophobicContact CG1-CD2 4.1Å; V145-Y185 HydrophobicContact CG1-CE2 3.77Å; K148-Y185 HydrophobicContact CB-CD2 4.45Å; Y149-Y185 HydrophobicContact CD2-CE1 4.22Å; Y149-Y185 HydrophobicContact CD2-CE2 4.12Å; Y149-Y185 AromaticContact CD2-CZ 3.87Å; Y149-Y185 HydrophobicContact CG-CE2 4.36Å; V152-Y185 HydrophobicContact CG2-CG 4.34Å; Y163-Y185 HydrophobicContact CE2-CE2 4.1Å; Y163-Y185 WeakPolarHBondContact CE2-OH 3.43Å; Y163-Y185 WeakPolarHBondContact OH-CE2 3.49Å; Y163-Y185 PolarHBondContact OH-OH 2.98Å; L170-Y185 HydrophobicContact CD2-CE1 4.29Å; A181-Y185 PolarHBondContact O-N 3.32Å; A181-Y185 VanDerWaalsContact O-N 3.08Å; Y182-Y185 AromaticContact CD2-CD1 3.87Å; Y182-Y185 HydrophobicContact CD2-CD1 3.87Å; Y182-Y185 HydrophobicContact CD2-CE1 4.4Å; Y182-Y185 AromaticContact CE2-CD1 3.94Å; Y182-Y185 HydrophobicContact CE2-CD1 3.94Å; Y182-Y185 HydrophobicContact CE2-CE1 4.03Å; Y182-Y185 WeakPolarHBondContact O-CB 3.43Å; Y182-Y185 PolarHBondContact O-N 3.41Å; Y182-Y185 VanDerWaalsContact O-N 3.16Å; K183-Y185 VanDerWaalsContact C-N 3.31Å; K183-Y185 PolarHBondContact O-N 3.48Å; Y185-E188 PolarHBondContact O-N 2.93Å; Y185-L189 HydrophobicContact CE2-CB 4.45Å; Y185-L189 HydrophobicContact CE2-CD2 4.41Å; Y185-L189 WeakPolarHBondContact O-CB 3.27Å; Y185-L189 PolarHBondContact O-N 2.62Å; Y185-L189 WeakPolarHBondContact OH-CD2 3.42Å
186L96.1Very high93.3Very high0 Ų044.1 Ų44.10%025%0.249CC..Hα-helixtrans-63.7-40.8178.4-67.6-174.8000112.1L170 Y182 K183 E188 L189 L190 I331 L334 E335 I338L170-L186 HydrophobicContact CD1-CD2 3.76Å; L170-L186 HydrophobicContact CD2-CD2 3.93Å; L170-L186 HydrophobicContact CG-CD2 4.48Å; Y182-L186 HydrophobicContact CD1-CD1 4.01Å; Y182-L186 HydrophobicContact CD1-CG 4.28Å; Y182-L186 HydrophobicContact CE1-CD1 3.48Å; Y182-L186 VanDerWaalsContact CE1-CD1 3.48Å; Y182-L186 HydrophobicContact CE1-CD2 4.33Å; Y182-L186 HydrophobicContact CE1-CG 3.95Å; Y182-L186 HydrophobicContact CE2-CD2 4.12Å; Y182-L186 HydrophobicContact CE2-CG 4.31Å; Y182-L186 WeakPolarHBondContact O-CG 3.35Å; Y182-L186 PolarHBondContact O-N 3.45Å; K183-L186 PolarHBondContact O-N 3.46Å; K183-L186 VanDerWaalsContact O-N 3.13Å; L186-E188 VanDerWaalsContact C-N 3.32Å; L186-E188 PolarHBondContact O-N 3.21Å; L186-L189 PolarHBondContact O-N 3.09Å; L186-L190 WeakPolarHBondContact O-CB 3.47Å; L186-L190 PolarHBondContact O-N 3.31Å; L186-I331 HydrophobicContact CD1-CG2 3.93Å; L186-L334 HydrophobicContact CB-CB 4.37Å; L186-L334 HydrophobicContact CB-CD1 4.28Å; L186-L334 HydrophobicContact CD1-CB 4.22Å; L186-E335 HydrophobicContact CD1-CG 3.78Å; L186-I338 HydrophobicContact CB-CD1 4Å; L186-I338 HydrophobicContact CD2-CD1 3.62Å; L186-I338 HydrophobicContact CG-CD1 4.31Å
187E96.7Very high94.1Very high97 Ų9738.5 Ų38.545%0.45322%0.219SC..Hα-helixtrans-61.3-41.2176.5-73170.3164.800111.4K183 G191 L334K183-E187 WeakPolarHBondContact CE-OE1 3.23Å; K183-E187 IonicContact NZ-OE1 2.77Å; K183-E187 WeakPolarHBondContact O-CG 3.36Å; K183-E187 PolarHBondContact O-N 3.47Å; E187-G191 PolarHBondContact O-N 3.21Å; E187-L334 HydrophobicContact CG-CD1 3.92Å
188E96.8Very high94.6Very high76 Ų7638.1 Ų38.136%0.35523%0.225SC..Hα-helixtrans-66.3-47.8175.1-167.277.4152.700112.3V145 K148 A184 Y185 L186 L190 G191 Y192V145-E188 HydrophobicContact CG2-CG 4.16Å; K148-E188 HydrophobicContact CD-CB 3.8Å; K148-E188 HydrophobicContact CD-CG 3.81Å; K148-E188 VanDerWaalsContact CE-OE1 3.3Å; K148-E188 WeakPolarHBondContact CE-OE1 3.44Å; K148-E188 IonicContact NZ-OE1 3.59Å; K148-E188 PolarHBondContact NZ-OE1 2.84Å; K148-E188 IonicContact NZ-OE2 2.95Å; K148-E188 PolarHBondContact NZ-OE2 2.89Å; A184-E188 PolarHBondContact O-N 3.36Å; Y185-E188 PolarHBondContact O-N 2.93Å; L186-E188 VanDerWaalsContact C-N 3.32Å; L186-E188 PolarHBondContact O-N 3.21Å; E188-L190 VanDerWaalsContact C-N 3.29Å; E188-L190 PolarHBondContact O-N 3.37Å; E188-G191 PolarHBondContact O-N 2.99Å; E188-Y192 WeakPolarHBondContact O-CB 3.36Å; E188-Y192 PolarHBondContact O-N 2.9Å
189L97.4Very high94.9Very high0 Ų039.3 Ų39.30%023%0.229CC..Hα-helixtrans-59.5-45.2179.517559.1000110.5L142 V145 F167 Y185 L186 Y192 L193 I338L142-L189 HydrophobicContact CD2-CD1 4.15Å; V145-L189 HydrophobicContact CG1-CB 3.67Å; V145-L189 HydrophobicContact CG1-CD1 3.91Å; V145-L189 HydrophobicContact CG1-CG 4.32Å; F167-L189 HydrophobicContact CD2-CD1 4.2Å; F167-L189 HydrophobicContact CD2-CD2 4.04Å; Y185-L189 HydrophobicContact CE2-CB 4.45Å; Y185-L189 HydrophobicContact CE2-CD2 4.41Å; Y185-L189 WeakPolarHBondContact O-CB 3.27Å; Y185-L189 PolarHBondContact O-N 2.62Å; Y185-L189 WeakPolarHBondContact OH-CD2 3.42Å; L186-L189 PolarHBondContact O-N 3.09Å; L189-Y192 PolarHBondContact O-N 2.9Å; L189-L193 HydrophobicContact CD1-CD1 3.83Å; L189-L193 HydrophobicContact CD1-CG 3.96Å; L189-L193 HydrophobicContact CG-CD1 4.01Å; L189-L193 HydrophobicContact CG-CG 4.48Å; L189-L193 WeakPolarHBondContact O-CB 3.22Å; L189-L193 VanDerWaalsContact O-CG 3.26Å; L189-L193 WeakPolarHBondContact O-CG 3.41Å; L189-L193 PolarHBondContact O-N 3.18Å; L189-I338 HydrophobicContact CD2-CD1 4.14Å; L189-I338 HydrophobicContact CD2-CG2 3.97Å; L189-I338 HydrophobicContact CG-CD1 4.38Å; L189-I338 HydrophobicContact CG-CG2 4.48Å
190L97.2Very high95.3Very high7 Ų738 Ų384%0.03721%0.214CC..Hα-helixtrans-62.3-49.6177.7-17959.7000111.1L186 E188 Y192 L193 E194 L334 R337 I338 L341L186-L190 WeakPolarHBondContact O-CB 3.47Å; L186-L190 PolarHBondContact O-N 3.31Å; E188-L190 VanDerWaalsContact C-N 3.29Å; E188-L190 PolarHBondContact O-N 3.37Å; L190-Y192 VanDerWaalsContact C-N 3.31Å; L190-Y192 PolarHBondContact O-N 2.97Å; L190-L193 PolarHBondContact O-N 3.05Å; L190-E194 HydrophobicContact CD1-CG 4.05Å; L190-E194 HydrophobicContact CG-CG 4.47Å; L190-E194 WeakPolarHBondContact O-CB 3.48Å; L190-E194 WeakPolarHBondContact O-CG 3.48Å; L190-E194 PolarHBondContact O-N 2.62Å; L190-L334 HydrophobicContact CD2-CD2 3.47Å; L190-L334 VanDerWaalsContact CD2-CD2 3.47Å; L190-R337 HydrophobicContact CD1-CB 3.74Å; L190-R337 HydrophobicContact CD2-CB 4.34Å; L190-I338 HydrophobicContact CB-CD1 4.32Å; L190-I338 HydrophobicContact CB-CG1 4.04Å; L190-I338 HydrophobicContact CD1-CG1 4.07Å; L190-L341 HydrophobicContact CD1-CD1 3.42Å; L190-L341 VanDerWaalsContact CD1-CD1 3.42Å
191G97.3Very high95.5Very high38 Ų3834.8 Ų34.839%0.39219%0.192SC..Hα-helixtrans-59.6-40.8178.600000112.9E187 E188 N195E187-G191 PolarHBondContact O-N 3.21Å; E188-G191 PolarHBondContact O-N 2.99Å; G191-N195 WeakPolarHBondContact O-CB 3.13Å; G191-N195 PolarHBondContact O-N 2.9Å; G191-N195 VanDerWaalsContact O-N 3.13Å
192Y97.6Very high95.6Very high37 Ų3732.7 Ų32.715%0.14517%0.174CC..Hα-helixtrans-62.4-51.6173.9177-94.2000111.5E134 L140 D141 L142 V145 E188 L189 L190 E194 N195 F196E134-Y192 WeakPolarHBondContact OE1-CE2 3.46Å; E134-Y192 PolarHBondContact OE1-OH 3.37Å; L140-Y192 HydrophobicContact CD2-CE1 4.24Å; D141-Y192 PolarHBondContact N-OH 3.22Å; D141-Y192 WeakPolarHBondContact O-CE2 3.15Å; D141-Y192 VanDerWaalsContact O-CZ 3.31Å; L142-Y192 HydrophobicContact CD2-CD1 3.35Å; L142-Y192 HydrophobicContact CD2-CE1 3.36Å; L142-Y192 HydrophobicContact CD2-CG 4.33Å; L142-Y192 HydrophobicContact CG-CE1 4.29Å; V145-Y192 HydrophobicContact CG2-CG 4.33Å; E188-Y192 WeakPolarHBondContact O-CB 3.36Å; E188-Y192 PolarHBondContact O-N 2.9Å; L189-Y192 PolarHBondContact O-N 2.9Å; L190-Y192 VanDerWaalsContact C-N 3.31Å; L190-Y192 PolarHBondContact O-N 2.97Å; Y192-E194 PolarHBondContact O-N 3.41Å; Y192-N195 PolarHBondContact O-N 3.33Å; Y192-F196 HydrophobicContact CE1-CB 4.23Å; Y192-F196 VanDerWaalsContact O-CB 3.31Å; Y192-F196 WeakPolarHBondContact O-CB 3.48Å; Y192-F196 PolarHBondContact O-N 3.05Å
193L97.4Very high95.5Very high0 Ų037.2 Ų37.20%020%0.197CC..Hα-helixtrans-63.3-39.6-177.6-71176.7000112.4F167 L189 L190 F196 V197 I338 L341 V345F167-L193 HydrophobicContact CE2-CD1 4.04Å; L189-L193 HydrophobicContact CD1-CD1 3.83Å; L189-L193 HydrophobicContact CD1-CG 3.96Å; L189-L193 HydrophobicContact CG-CD1 4.01Å; L189-L193 HydrophobicContact CG-CG 4.48Å; L189-L193 WeakPolarHBondContact O-CB 3.22Å; L189-L193 VanDerWaalsContact O-CG 3.26Å; L189-L193 WeakPolarHBondContact O-CG 3.41Å; L189-L193 PolarHBondContact O-N 3.18Å; L190-L193 PolarHBondContact O-N 3.05Å; L193-F196 PolarHBondContact O-N 3.47Å; L193-V197 WeakPolarHBondContact O-CB 3.49Å; L193-V197 VanDerWaalsContact O-CG2 3.24Å; L193-V197 WeakPolarHBondContact O-CG2 3.27Å; L193-V197 PolarHBondContact O-N 2.96Å; L193-I338 HydrophobicContact CD1-CG2 4.26Å; L193-L341 HydrophobicContact CB-CB 4.15Å; L193-L341 HydrophobicContact CB-CD1 3.81Å; L193-L341 HydrophobicContact CD1-CB 4.19Å; L193-V345 HydrophobicContact CD2-CG1 4.43Å; L193-V345 HydrophobicContact CD2-CG2 4.02Å
194E96.5Very high95.5Very high48 Ų4835.8 Ų35.822%0.22419%0.193CC..Hα-helixtrans-64.4-46.6177.1-71.4-177154.200111.6L190 Y192 V197 S198 R337 L341L190-E194 HydrophobicContact CD1-CG 4.05Å; L190-E194 HydrophobicContact CG-CG 4.47Å; L190-E194 WeakPolarHBondContact O-CB 3.48Å; L190-E194 WeakPolarHBondContact O-CG 3.48Å; L190-E194 PolarHBondContact O-N 2.62Å; Y192-E194 PolarHBondContact O-N 3.41Å; E194-V197 PolarHBondContact O-N 3.48Å; E194-S198 WeakPolarHBondContact O-CB 3.45Å; E194-S198 PolarHBondContact O-N 3.38Å; E194-S198 PolarHBondContact O-OG 3.27Å; E194-R337 IonicContact OE1-CZ 2.87Å; E194-R337 VanDerWaalsContact OE1-CZ 3.3Å; E194-R337 IonicContact OE1-NE 3.53Å; E194-R337 PolarHBondContact OE1-NE 3.42Å; E194-R337 IonicContact OE1-NH2 3.1Å; E194-R337 PolarHBondContact OE1-NH2 2.73Å; E194-R337 IonicContact OE2-NH2 3.39Å; E194-R337 PolarHBondContact OE2-NH2 3.37Å; E194-R337 VanDerWaalsContact OE2-NH2 3.15Å; E194-L341 HydrophobicContact CG-CD1 3.47Å; E194-L341 VanDerWaalsContact CG-CD1 3.47Å; E194-L341 HydrophobicContact CG-CD2 4.41Å
195N95.7Very high95.5Very high80 Ų8036.5 Ų36.543%0.42819%0.191SC..Hα-helixtrans-62.5-45.7175.9177.1-91.2000111.4G191 Y192 S198 R199G191-N195 WeakPolarHBondContact O-CB 3.13Å; G191-N195 PolarHBondContact O-N 2.9Å; G191-N195 VanDerWaalsContact O-N 3.13Å; Y192-N195 PolarHBondContact O-N 3.33Å; N195-S198 PolarHBondContact O-N 3.04Å; N195-S198 PolarHBondContact O-OG 2.94Å; N195-R199 PolarHBondContact O-N 3.23Å; N195-R199 VanDerWaalsContact OD1-CZ 3.26Å; N195-R199 PolarHBondContact OD1-NE 2.86Å; N195-R199 PolarHBondContact OD1-NH2 3.38Å
196F96.9Very high95.4Very high0 Ų038.1 Ų38.10%020%0.199CC..Hα-helixtrans-60.4-49178.4-177.7-90.3000111.4F130 E134 Y139 L140 Y192 L193 S198 R199 A200 V345 H348F130-F196 HydrophobicContact CD1-CE2 4.45Å; F130-F196 HydrophobicContact CE1-CD2 4.31Å; F130-F196 HydrophobicContact CE1-CE2 4.05Å; E134-F196 HydrophobicContact CB-CE2 4.35Å; E134-F196 HydrophobicContact CG-CD2 4.32Å; E134-F196 HydrophobicContact CG-CE2 4.14Å; E134-F196 WeakPolarHBondContact OE1-CD2 3.41Å; Y139-F196 WeakPolarHBondContact O-CE2 3.41Å; Y139-F196 WeakPolarHBondContact O-CZ 3.47Å; L140-F196 HydrophobicContact CD2-CD1 3.4Å; L140-F196 HydrophobicContact CD2-CD2 4Å; L140-F196 HydrophobicContact CD2-CE1 3.34Å; L140-F196 HydrophobicContact CD2-CE2 3.94Å; L140-F196 HydrophobicContact CD2-CG 3.74Å; L140-F196 HydrophobicContact CD2-CZ 3.62Å; L140-F196 HydrophobicContact CG-CE1 4.46Å; L140-F196 HydrophobicContact CG-CZ 4.48Å; Y192-F196 HydrophobicContact CE1-CB 4.23Å; Y192-F196 VanDerWaalsContact O-CB 3.31Å; Y192-F196 WeakPolarHBondContact O-CB 3.48Å; Y192-F196 PolarHBondContact O-N 3.05Å; L193-F196 PolarHBondContact O-N 3.47Å; F196-S198 PolarHBondContact O-N 3.23Å; F196-R199 PolarHBondContact O-N 3.48Å; F196-R199 VanDerWaalsContact O-N 3.15Å; F196-A200 HydrophobicContact CD1-CB 4.03Å; F196-A200 HydrophobicContact CE1-CB 3.58Å; F196-A200 HydrophobicContact CE2-CB 4.45Å; F196-A200 HydrophobicContact CZ-CB 3.83Å; F196-A200 VanDerWaalsContact O-CB 3.29Å; F196-A200 WeakPolarHBondContact O-CB 3.46Å; F196-A200 PolarHBondContact O-N 3.19Å; F196-V345 HydrophobicContact CD1-CG1 4.15Å; F196-V345 HydrophobicContact CE1-CG1 4.48Å; F196-H348 HydrophobicContact CE1-CB 4.19Å; F196-H348 AromaticContact CE1-CG 3.9Å; F196-H348 HydrophobicContact CZ-CB 4.41Å
197V95.9Very high95.3Very high1 Ų144.3 Ų44.31%0.00623%0.228CC..Hα-helixtrans-63.9-40.1-179.9176.10000111.5L193 E194 R199 A200 R201 L206 L341 L344 V345L193-V197 WeakPolarHBondContact O-CB 3.49Å; L193-V197 VanDerWaalsContact O-CG2 3.24Å; L193-V197 WeakPolarHBondContact O-CG2 3.27Å; L193-V197 PolarHBondContact O-N 2.96Å; E194-V197 PolarHBondContact O-N 3.48Å; V197-R199 PolarHBondContact O-N 3.48Å; V197-A200 PolarHBondContact O-N 3.25Å; V197-R201 HydrophobicContact CG1-CB 4.33Å; V197-R201 CarbonylContact O-C 3.48Å; V197-R201 WeakPolarHBondContact O-CA 3.44Å; V197-R201 PolarHBondContact O-N 3.38Å; V197-L206 HydrophobicContact CB-CD2 4.13Å; V197-L206 HydrophobicContact CG1-CD2 3.59Å; V197-L206 HydrophobicContact CG1-CG 4.33Å; V197-L341 HydrophobicContact CG2-CD2 4.31Å; V197-L344 HydrophobicContact CG1-CD1 4.32Å; V197-V345 HydrophobicContact CG2-CG1 3.32Å
198S94.1Very high95.2Very high55 Ų5544.9 Ų44.939%0.38523%0.231SC..Hα-helixtrans-59.6-29.9176.870.80000113.3E194 N195 F196E194-S198 WeakPolarHBondContact O-CB 3.45Å; E194-S198 PolarHBondContact O-N 3.38Å; E194-S198 PolarHBondContact O-OG 3.27Å; N195-S198 PolarHBondContact O-N 3.04Å; N195-S198 PolarHBondContact O-OG 2.94Å; F196-S198 PolarHBondContact O-N 3.23Å
199R94.4Very high95.2Very high36 Ų3642.8 Ų42.814%0.13622%0.221CC..Hα-helixtrans-89.4-45.6179.8-74.1-170.8-68126.62.8112.2I128 D129 F130 E134 N195 F196 V197I128-R199 WeakPolarHBondContact CD1-O 3.46Å; I128-R199 HydrophobicContact CG2-CB 3.54Å; I128-R199 HydrophobicContact CG2-CG 3.71Å; D129-R199 WeakPolarHBondContact O-CD 3.24Å; D129-R199 PolarHBondContact O-NH1 3.48Å; F130-R199 HydrophobicContact CE1-CB 3.93Å; F130-R199 HydrophobicContact CE2-CB 4.27Å; F130-R199 HydrophobicContact CZ-CB 3.6Å; E134-R199 IonicContact OE1-CZ 3.01Å; E134-R199 IonicContact OE1-NH1 2.65Å; E134-R199 IonicContact OE1-NH2 3.3Å; E134-R199 PolarHBondContact OE1-NH2 3.35Å; E134-R199 IonicContact OE2-CZ 3.87Å; E134-R199 IonicContact OE2-NH1 2.84Å; E134-R199 PolarHBondContact OE2-NH1 2.89Å; E134-R199 IonicContact OE2-NH2 3.39Å; E134-R199 PolarHBondContact OE2-NH2 3.13Å; E134-R199 VanDerWaalsContact OE2-NH2 3.17Å; N195-R199 PolarHBondContact O-N 3.23Å; N195-R199 VanDerWaalsContact OD1-CZ 3.26Å; N195-R199 PolarHBondContact OD1-NE 2.86Å; N195-R199 PolarHBondContact OD1-NH2 3.38Å; F196-R199 PolarHBondContact O-N 3.48Å; F196-R199 VanDerWaalsContact O-N 3.15Å; V197-R199 PolarHBondContact O-N 3.48Å
200A94.7Very high95.1Very high8 Ų844.3 Ų44.37%0.06623%0.231CC..Hα-helixtrans-81.8-20-174.600000113.4L37 F130 F196 V197L37-A200 WeakPolarHBondContact CD1-O 3.4Å; F130-A200 HydrophobicContact CE1-CB 4.21Å; F130-A200 HydrophobicContact CZ-CB 4.06Å; F196-A200 HydrophobicContact CD1-CB 4.03Å; F196-A200 HydrophobicContact CE1-CB 3.58Å; F196-A200 HydrophobicContact CE2-CB 4.45Å; F196-A200 HydrophobicContact CZ-CB 3.83Å; F196-A200 VanDerWaalsContact O-CB 3.29Å; F196-A200 WeakPolarHBondContact O-CB 3.46Å; F196-A200 PolarHBondContact O-N 3.19Å; V197-A200 PolarHBondContact O-N 3.25Å
201R94.1Very high95.1Very high91 Ų9150.1 Ų50.134%0.34326%0.255SS..  trans-141.163.3179.6-60.5-169.464.8-170.3-4.9110.8V197 I203 V204 L344V197-R201 HydrophobicContact CG1-CB 4.33Å; V197-R201 CarbonylContact O-C 3.48Å; V197-R201 WeakPolarHBondContact O-CA 3.44Å; V197-R201 PolarHBondContact O-N 3.38Å; R201-I203 PolarHBondContact O-N 3.44Å; R201-V204 HydrophobicContact CB-CB 4.43Å; R201-V204 HydrophobicContact CB-CG2 3.85Å; R201-V204 WeakPolarHBondContact O-CB 3.45Å; R201-V204 PolarHBondContact O-N 3.43Å; R201-L344 PolarHBondContact NH1-O 2.98Å
202P92.9Very high95Very high8 Ų853.4 Ų53.45%0.05226%0.26CS..THydrogen-bonded Turntrans-62.5-19.7-171.426-35000114L37 E40 L41 R44 V204L37-P202 HydrophobicContact CD1-CG 4.46Å; E40-P202 HydrophobicContact CB-CG 3.8Å; L41-P202 HydrophobicContact CB-CG 4.21Å; L41-P202 HydrophobicContact CD1-CB 4.13Å; R44-P202 HydrophobicContact CB-CB 4.12Å; R44-P202 WeakPolarHBondContact CD-O 3.48Å; R44-P202 HydrophobicContact CG-CB 4.41Å; R44-P202 VanDerWaalsContact CG-O 3.25Å; R44-P202 WeakPolarHBondContact CG-O 3.48Å; P202-V204 VanDerWaalsContact C-N 3.32Å
203I92Very high95Very high96 Ų9652.1 Ų52.149%0.49226%0.258SS..THydrogen-bonded Turntrans-72.6-25.1176.6-66172.4000112.2E40 R201 D205E40-I203 HydrophobicContact CB-CD1 3.8Å; E40-I203 HydrophobicContact CB-CG1 4.1Å; E40-I203 HydrophobicContact CG-CD1 3.65Å; E40-I203 HydrophobicContact CG-CG1 4.46Å; R201-I203 PolarHBondContact O-N 3.44Å; I203-D205 PolarHBondContact O-N 3.45Å
204V93.3Very high94.9Very high26 Ų2654.9 Ų54.916%0.15827%0.272CS..SBendtrans-72125.9-177176.90000110.3R201 P202 L206 E209 L344R201-V204 HydrophobicContact CB-CB 4.43Å; R201-V204 HydrophobicContact CB-CG2 3.85Å; R201-V204 WeakPolarHBondContact O-CB 3.45Å; R201-V204 PolarHBondContact O-N 3.43Å; P202-V204 VanDerWaalsContact C-N 3.32Å; V204-L206 PolarHBondContact O-N 2.87Å; V204-L206 VanDerWaalsContact O-N 3.09Å; V204-E209 HydrophobicContact CG1-CG 3.78Å; V204-L344 HydrophobicContact CG1-CD1 4.21Å
205D93.6Very high94.9Very high61 Ų6155.4 Ų55.433%0.32629%0.285SS..  trans-77.493.5172.6-170.7-27.2000110.4I203 E207 E208 E209I203-D205 PolarHBondContact O-N 3.45Å; D205-E207 PolarHBondContact O-N 2.62Å; D205-E207 WeakPolarHBondContact OD1-CA 3.43Å; D205-E207 WeakPolarHBondContact OD1-CB 3.31Å; D205-E207 PolarHBondContact OD1-N 2.85Å; D205-E208 HydrophobicContact CB-CB 3.99Å; D205-E208 PolarHBondContact O-N 3.31Å; D205-E208 PolarHBondContact OD1-N 2.92Å; D205-E209 WeakPolarHBondContact O-CB 3.37Å; D205-E209 VanDerWaalsContact O-CG 3.23Å; D205-E209 WeakPolarHBondContact O-CG 3.38Å; D205-E209 PolarHBondContact O-N 3.43Å
206L93.2Very high94.9Very high36 Ų3657.2 Ų57.219%0.18829%0.289CS..Hα-helixtrans-60.8-26.3178.5-76.1178000113.7V197 V204 T210 L341 L344V197-L206 HydrophobicContact CB-CD2 4.13Å; V197-L206 HydrophobicContact CG1-CD2 3.59Å; V197-L206 HydrophobicContact CG1-CG 4.33Å; V204-L206 PolarHBondContact O-N 2.87Å; V204-L206 VanDerWaalsContact O-N 3.09Å; L206-T210 VanDerWaalsContact O-CB 3.27Å; L206-T210 WeakPolarHBondContact O-CB 3.36Å; L206-T210 PolarHBondContact O-N 3.36Å; L206-T210 PolarHBondContact O-OG1 2.82Å; L206-L341 HydrophobicContact CD2-CD2 3.92Å; L206-L344 HydrophobicContact CD2-CD1 4.5Å
207E94.2Very high94.9Very high130 Ų13057.3 Ų57.361%0.60729%0.289SS*.Hα-helixtrans-73-44.6177.1-64.1-167.8-178.600111.4D205 E209 T210 K211D205-E207 PolarHBondContact O-N 2.62Å; D205-E207 WeakPolarHBondContact OD1-CA 3.43Å; D205-E207 WeakPolarHBondContact OD1-CB 3.31Å; D205-E207 PolarHBondContact OD1-N 2.85Å; E207-E209 VanDerWaalsContact C-N 3.33Å; E207-T210 PolarHBondContact O-N 2.87Å; E207-K211 WeakPolarHBondContact O-CB 3.24Å; E207-K211 WeakPolarHBondContact O-CD 3.5Å; E207-K211 WeakPolarHBondContact O-CG 3.33Å; E207-K211 PolarHBondContact O-N 2.85Å; E207-K211 IonicContact OE2-NZ 3.15Å; E207-K211 PolarHBondContact OE2-NZ 3.17Å
208E95Very high94.8Very high108 Ų10860.8 Ų60.851%0.50531%0.306SS..Hα-helixtrans-60.7-47174.7-173.7167.2-153.700110.1D205 T210 K211 E212D205-E208 HydrophobicContact CB-CB 3.99Å; D205-E208 PolarHBondContact O-N 3.31Å; D205-E208 PolarHBondContact OD1-N 2.92Å; E208-T210 VanDerWaalsContact C-N 3.3Å; E208-T210 PolarHBondContact O-N 3.49Å; E208-K211 WeakPolarHBondContact O-CB 3.31Å; E208-K211 PolarHBondContact O-N 2.93Å; E208-K211 VanDerWaalsContact O-N 3.09Å; E208-E212 WeakPolarHBondContact O-CG 3.45Å; E208-E212 PolarHBondContact O-N 2.84Å
209E95.9Very high94.8Very high33 Ų3361.7 Ų61.715%0.15431%0.309CS..Hα-helixtrans-58.4-41.2177.1-70.6-67.7-166.400113V204 D205 E207 A213 R340 L344V204-E209 HydrophobicContact CG1-CG 3.78Å; D205-E209 WeakPolarHBondContact O-CB 3.37Å; D205-E209 VanDerWaalsContact O-CG 3.23Å; D205-E209 WeakPolarHBondContact O-CG 3.38Å; D205-E209 PolarHBondContact O-N 3.43Å; E207-E209 VanDerWaalsContact C-N 3.33Å; E209-A213 WeakPolarHBondContact O-CB 3.32Å; E209-A213 PolarHBondContact O-N 3.04Å; E209-R340 IonicContact OE1-CZ 2.81Å; E209-R340 IonicContact OE1-NE 2.73Å; E209-R340 IonicContact OE1-NH2 3.72Å; E209-R340 PolarHBondContact OE1-NH2 3.19Å; E209-R340 IonicContact OE2-CZ 2.76Å; E209-R340 IonicContact OE2-NE 2.76Å; E209-R340 PolarHBondContact OE2-NE 2.85Å; E209-R340 IonicContact OE2-NH2 3.82Å; E209-R340 PolarHBondContact OE2-NH2 3.02Å; E209-L344 HydrophobicContact CG-CD1 4.21Å
210T95.7Very high94.6Very high32 Ų3262.5 Ų62.520%0.19631%0.314CS..Hα-helixtrans-67.5-43.1175.5-61.80000111.4L206 E207 E208 A213 L214 R337L206-T210 VanDerWaalsContact O-CB 3.27Å; L206-T210 WeakPolarHBondContact O-CB 3.36Å; L206-T210 PolarHBondContact O-N 3.36Å; L206-T210 PolarHBondContact O-OG1 2.82Å; E207-T210 PolarHBondContact O-N 2.87Å; E208-T210 VanDerWaalsContact C-N 3.3Å; E208-T210 PolarHBondContact O-N 3.49Å; T210-A213 PolarHBondContact O-N 3.23Å; T210-L214 HydrophobicContact CG2-CD1 3.96Å; T210-L214 HydrophobicContact CG2-CG 4.31Å; T210-L214 WeakPolarHBondContact O-CB 3.29Å; T210-L214 VanDerWaalsContact O-CG 3.24Å; T210-L214 WeakPolarHBondContact O-CG 3.41Å; T210-L214 PolarHBondContact O-N 3.44Å; T210-R337 HydrophobicContact CG2-CG 4.42Å
211K96.9Very high94.4Very high128 Ų12865.2 Ų65.256%0.55732%0.323SS*.Hα-helixtrans-61.1-45.7178.3-74.4162.7-169.7153.70111.1E207 E208 L214 A215E207-K211 WeakPolarHBondContact O-CB 3.24Å; E207-K211 WeakPolarHBondContact O-CD 3.5Å; E207-K211 WeakPolarHBondContact O-CG 3.33Å; E207-K211 PolarHBondContact O-N 2.85Å; E207-K211 IonicContact OE2-NZ 3.15Å; E207-K211 PolarHBondContact OE2-NZ 3.17Å; E208-K211 WeakPolarHBondContact O-CB 3.31Å; E208-K211 PolarHBondContact O-N 2.93Å; E208-K211 VanDerWaalsContact O-N 3.09Å; K211-L214 PolarHBondContact O-N 2.89Å; K211-A215 WeakPolarHBondContact O-CB 3.4Å; K211-A215 PolarHBondContact O-N 3.5Å
212E96.1Very high94.1Very high107 Ų10766 Ų6650%0.534%0.338SS..Hα-helixtrans-62.2-45.8176.5-70.7-167.8164.400112.1E208 L214 A215 K216E208-E212 WeakPolarHBondContact O-CG 3.45Å; E208-E212 PolarHBondContact O-N 2.84Å; E212-L214 VanDerWaalsContact C-N 3.33Å; E212-L214 PolarHBondContact O-N 2.88Å; E212-A215 PolarHBondContact O-N 2.9Å; E212-K216 WeakPolarHBondContact O-CB 3.4Å; E212-K216 PolarHBondContact O-N 3.47Å
213A95.7Very high93.9Very high11 Ų1172.1 Ų72.19%0.09137%0.366CS..Hα-helixtrans-59.7-42.9177.500000112E209 T210 F217 R340E209-A213 WeakPolarHBondContact O-CB 3.32Å; E209-A213 PolarHBondContact O-N 3.04Å; T210-A213 PolarHBondContact O-N 3.23Å; A213-F217 VanDerWaalsContact O-CB 3.32Å; A213-F217 WeakPolarHBondContact O-CB 3.44Å; A213-F217 PolarHBondContact O-N 2.99Å; A213-R340 HydrophobicContact CB-CB 3.76Å; A213-R340 HydrophobicContact CB-CG 4.04Å
214L96.8Very high93.5Very high58 Ų5869.2 Ų69.230%0.30436%0.359SS..Hα-helixtrans-68.6-39.2178-69177.8000112.4T210 K211 E212 F217 E218 T333 R337T210-L214 HydrophobicContact CG2-CD1 3.96Å; T210-L214 HydrophobicContact CG2-CG 4.31Å; T210-L214 WeakPolarHBondContact O-CB 3.29Å; T210-L214 VanDerWaalsContact O-CG 3.24Å; T210-L214 WeakPolarHBondContact O-CG 3.41Å; T210-L214 PolarHBondContact O-N 3.44Å; K211-L214 PolarHBondContact O-N 2.89Å; E212-L214 VanDerWaalsContact C-N 3.33Å; E212-L214 PolarHBondContact O-N 2.88Å; L214-F217 WeakPolarHBondContact O-CB 3.46Å; L214-F217 PolarHBondContact O-N 3.27Å; L214-E218 WeakPolarHBondContact O-CG 3.44Å; L214-E218 PolarHBondContact O-N 2.71Å; L214-T333 HydrophobicContact CD2-CG2 3.45Å; L214-T333 VanDerWaalsContact CD2-CG2 3.45Å; L214-R337 HydrophobicContact CD2-CG 4.37Å
215A96.8Very high93.2Very high59 Ų5970.8 Ų70.849%0.48838%0.375SS..Hα-helixtrans-63.9-42.8175.500000112K211 E212 E218 T219K211-A215 WeakPolarHBondContact O-CB 3.4Å; K211-A215 PolarHBondContact O-N 3.5Å; E212-A215 PolarHBondContact O-N 2.9Å; A215-E218 PolarHBondContact O-N 2.73Å; A215-T219 PolarHBondContact O-N 3.29Å; A215-T219 PolarHBondContact O-OG1 2.7Å
216K95.7Very high93Very high117 Ų11768.1 Ų68.151%0.50936%0.361SS..Hα-helixtrans-62.6-43.2173.3-175.2178.8178-176.70111.1E212 T219 Q220E212-K216 WeakPolarHBondContact O-CB 3.4Å; E212-K216 PolarHBondContact O-N 3.47Å; K216-T219 PolarHBondContact O-N 3.47Å; K216-Q220 WeakPolarHBondContact O-CG 3.26Å; K216-Q220 PolarHBondContact O-N 2.99Å
217F95.4Very high92.6Very high2 Ų269 Ų691%0.00937%0.369CS..Hα-helixtrans-58.7-51.4175.7168.1-105.1000112.2A213 L214 T219 Q220 W221 F226 K329 A332 T333 A336A213-F217 VanDerWaalsContact O-CB 3.32Å; A213-F217 WeakPolarHBondContact O-CB 3.44Å; A213-F217 PolarHBondContact O-N 2.99Å; L214-F217 WeakPolarHBondContact O-CB 3.46Å; L214-F217 PolarHBondContact O-N 3.27Å; F217-T219 VanDerWaalsContact C-N 3.25Å; F217-T219 PolarHBondContact O-N 3.14Å; F217-Q220 PolarHBondContact O-N 2.93Å; F217-Q220 VanDerWaalsContact O-N 3.15Å; F217-W221 HydrophobicContact CE1-CB 4.5Å; F217-W221 HydrophobicContact CE2-CB 4.25Å; F217-W221 HydrophobicContact CE2-CD2 4.2Å; F217-W221 AromaticContact CE2-CE3 3.69Å; F217-W221 HydrophobicContact CE2-CE3 3.69Å; F217-W221 HydrophobicContact CE2-CG 4.45Å; F217-W221 HydrophobicContact CE2-CZ3 4.41Å; F217-W221 HydrophobicContact CZ-CB 4.21Å; F217-W221 AromaticContact CZ-CD2 3.93Å; F217-W221 HydrophobicContact CZ-CD2 3.93Å; F217-W221 AromaticContact CZ-CE3 3.82Å; F217-W221 HydrophobicContact CZ-CE3 3.82Å; F217-W221 HydrophobicContact CZ-CG 4.12Å; F217-W221 HydrophobicContact CZ-CZ3 4.49Å; F217-W221 WeakPolarHBondContact O-CB 3.37Å; F217-W221 PolarHBondContact O-N 2.94Å; F217-F226 HydrophobicContact CD2-CD1 4.34Å; F217-F226 AromaticContact CD2-CD2 3.67Å; F217-F226 HydrophobicContact CD2-CD2 3.67Å; F217-F226 HydrophobicContact CD2-CE1 4.25Å; F217-F226 AromaticContact CD2-CE2 3.55Å; F217-F226 HydrophobicContact CD2-CE2 3.55Å; F217-F226 HydrophobicContact CD2-CG 4.1Å; F217-F226 AromaticContact CD2-CZ 3.86Å; F217-F226 HydrophobicContact CD2-CZ 3.86Å; F217-F226 HydrophobicContact CE2-CD1 4Å; F217-F226 HydrophobicContact CE2-CD2 4.14Å; F217-F226 HydrophobicContact CE2-CE1 4.01Å; F217-F226 HydrophobicContact CE2-CE2 4.14Å; F217-F226 HydrophobicContact CE2-CG 4.1Å; F217-F226 HydrophobicContact CE2-CZ 4.07Å; F217-K329 HydrophobicContact CE1-CG 4.3Å; F217-K329 HydrophobicContact CZ-CG 4.13Å; F217-A332 HydrophobicContact CE2-CB 3.74Å; F217-A332 HydrophobicContact CZ-CB 3.92Å; F217-T333 VanDerWaalsContact CE1-OG1 3.28Å; F217-T333 WeakPolarHBondContact CE1-OG1 3.42Å; F217-A336 HydrophobicContact CB-CB 3.79Å; F217-A336 HydrophobicContact CD2-CB 3.73Å; F217-A336 HydrophobicContact CG-CB 3.9Å
218E94.3Very high92Very high75 Ų7563.9 Ų63.935%0.3535%0.35SS..Hα-helixtrans-60-37.9-179.6-72-62.8154.600111.8L214 A215 T222 K329L214-E218 WeakPolarHBondContact O-CG 3.44Å; L214-E218 PolarHBondContact O-N 2.71Å; A215-E218 PolarHBondContact O-N 2.73Å; E218-T222 WeakPolarHBondContact O-CB 3.36Å; E218-T222 VanDerWaalsContact O-CG2 3.3Å; E218-T222 WeakPolarHBondContact O-CG2 3.43Å; E218-T222 PolarHBondContact O-N 3.46Å; E218-T222 PolarHBondContact O-OG1 3.05Å; E218-K329 WeakPolarHBondContact OE1-CE 3.39Å; E218-K329 IonicContact OE1-NZ 2.81Å; E218-K329 PolarHBondContact OE1-NZ 3.05Å; E218-K329 IonicContact OE2-NZ 2.68Å; E218-K329 PolarHBondContact OE2-NZ 2.87Å
219T93.4Very high91.5Very high74 Ų7459.6 Ų59.645%0.45433%0.329SS..Hα-helixtrans-63.9-48.1174.6-55.80000111.7A215 K216 F217 T222 Q223A215-T219 PolarHBondContact O-N 3.29Å; A215-T219 PolarHBondContact O-OG1 2.7Å; K216-T219 PolarHBondContact O-N 3.47Å; F217-T219 VanDerWaalsContact C-N 3.25Å; F217-T219 PolarHBondContact O-N 3.14Å; T219-T222 PolarHBondContact O-OG1 3.13Å; T219-Q223 VanDerWaalsContact O-CG 3.25Å; T219-Q223 WeakPolarHBondContact O-CG 3.23Å; T219-Q223 PolarHBondContact O-N 3.27Å
220Q91.9Very high90.2Very high53 Ų5358.7 Ų58.725%0.24833%0.329CS..Hα-helixtrans-69.3-34.8179.2-70.3179-10.800112.8K216 F217 Q223 G224 A225 F226K216-Q220 WeakPolarHBondContact O-CG 3.26Å; K216-Q220 PolarHBondContact O-N 2.99Å; F217-Q220 PolarHBondContact O-N 2.93Å; F217-Q220 VanDerWaalsContact O-N 3.15Å; Q220-Q223 PolarHBondContact O-N 3.44Å; Q220-G224 PolarHBondContact O-N 3.04Å; Q220-G224 VanDerWaalsContact O-N 3.11Å; Q220-A225 PolarHBondContact O-N 3.48Å; Q220-F226 HydrophobicContact CB-CB 4.26Å; Q220-F226 HydrophobicContact CB-CD2 4.28Å; Q220-F226 PolarHBondContact O-N 3.08Å
221W90.4Very high88.3Confident64 Ų6465.2 Ų65.224%0.24235%0.35CS..Hα-helixtrans-67.9-46.4-180-174.1-98.5000111.3F217 Q223 G224 F226 W229 K329 A332F217-W221 HydrophobicContact CE1-CB 4.5Å; F217-W221 HydrophobicContact CE2-CB 4.25Å; F217-W221 HydrophobicContact CE2-CD2 4.2Å; F217-W221 AromaticContact CE2-CE3 3.69Å; F217-W221 HydrophobicContact CE2-CE3 3.69Å; F217-W221 HydrophobicContact CE2-CG 4.45Å; F217-W221 HydrophobicContact CE2-CZ3 4.41Å; F217-W221 HydrophobicContact CZ-CB 4.21Å; F217-W221 AromaticContact CZ-CD2 3.93Å; F217-W221 HydrophobicContact CZ-CD2 3.93Å; F217-W221 AromaticContact CZ-CE3 3.82Å; F217-W221 HydrophobicContact CZ-CE3 3.82Å; F217-W221 HydrophobicContact CZ-CG 4.12Å; F217-W221 HydrophobicContact CZ-CZ3 4.49Å; F217-W221 WeakPolarHBondContact O-CB 3.37Å; F217-W221 PolarHBondContact O-N 2.94Å; W221-Q223 VanDerWaalsContact C-N 3.27Å; W221-Q223 PolarHBondContact O-N 2.97Å; W221-G224 PolarHBondContact O-N 3.36Å; W221-F226 HydrophobicContact CE3-CB 4.17Å; W221-F226 HydrophobicContact CE3-CD1 4.2Å; W221-F226 HydrophobicContact CE3-CG 4.39Å; W221-F226 HydrophobicContact CZ3-CD1 4.32Å; W221-W229 HydrophobicContact CH2-CD2 4.36Å; W221-W229 HydrophobicContact CH2-CE3 4.15Å; W221-W229 HydrophobicContact CZ3-CB 3.79Å; W221-W229 HydrophobicContact CZ3-CD2 4.09Å; W221-W229 HydrophobicContact CZ3-CE3 4.32Å; W221-W229 AromaticContact CZ3-CG 3.89Å; W221-W229 HydrophobicContact CZ3-CG 3.89Å; W221-K329 HydrophobicContact CZ2-CB 4.02Å; W221-K329 HydrophobicContact CZ2-CG 4.14Å; W221-A332 HydrophobicContact CE3-CB 4.03Å; W221-A332 HydrophobicContact CH2-CB 3.96Å; W221-A332 HydrophobicContact CZ3-CB 3.39Å
222T87.5Confident86Confident108 Ų10867.5 Ų67.566%0.66336%0.363SS*.Hα-helixtrans-63.6-32.7176.4510000112.7E218 T219 G224E218-T222 WeakPolarHBondContact O-CB 3.36Å; E218-T222 VanDerWaalsContact O-CG2 3.3Å; E218-T222 WeakPolarHBondContact O-CG2 3.43Å; E218-T222 PolarHBondContact O-N 3.46Å; E218-T222 PolarHBondContact O-OG1 3.05Å; T219-T222 PolarHBondContact O-OG1 3.13Å; T222-G224 VanDerWaalsContact C-N 3.31Å
223Q87.6Confident83.8Confident137 Ų13764.9 Ų64.964%0.6436%0.36SS*.THydrogen-bonded Turntrans-79.4-9.7174.5-66.9172.18.100113.6T219 Q220 W221 A225T219-Q223 VanDerWaalsContact O-CG 3.25Å; T219-Q223 WeakPolarHBondContact O-CG 3.23Å; T219-Q223 PolarHBondContact O-N 3.27Å; Q220-Q223 PolarHBondContact O-N 3.44Å; W221-Q223 VanDerWaalsContact C-N 3.27Å; W221-Q223 PolarHBondContact O-N 2.97Å; Q223-A225 HydrophobicContact CB-CB 4.26Å; Q223-A225 PolarHBondContact O-N 3.45Å
224G84.1Confident81.2Confident35 Ų3566.4 Ų66.436%0.36137%0.372SS..THydrogen-bonded Turntrans65.624.7-17400000113.6Q220 W221 T222 G230Q220-G224 PolarHBondContact O-N 3.04Å; Q220-G224 VanDerWaalsContact O-N 3.11Å; W221-G224 PolarHBondContact O-N 3.36Å; T222-G224 VanDerWaalsContact C-N 3.31Å; G224-G230 WeakPolarHBondContact O-CA 3.35Å
225A87.3Confident78.4Confident59 Ų5967.6 Ų67.649%0.48839%0.385SS..  trans-104.42.9-177.300000113.1Q220 Q223Q220-A225 PolarHBondContact O-N 3.48Å; Q223-A225 HydrophobicContact CB-CB 4.26Å; Q223-A225 PolarHBondContact O-N 3.45Å
226F88.8Confident75.7Confident5 Ų569 Ų692%0.02240%0.397CS..SBendtrans-65.9126.3180-169.9-111.3000111.1F217 Q220 W221 G228 W229 G230 A332 E335 A336 Y339F217-F226 HydrophobicContact CD2-CD1 4.34Å; F217-F226 AromaticContact CD2-CD2 3.67Å; F217-F226 HydrophobicContact CD2-CD2 3.67Å; F217-F226 HydrophobicContact CD2-CE1 4.25Å; F217-F226 AromaticContact CD2-CE2 3.55Å; F217-F226 HydrophobicContact CD2-CE2 3.55Å; F217-F226 HydrophobicContact CD2-CG 4.1Å; F217-F226 AromaticContact CD2-CZ 3.86Å; F217-F226 HydrophobicContact CD2-CZ 3.86Å; F217-F226 HydrophobicContact CE2-CD1 4Å; F217-F226 HydrophobicContact CE2-CD2 4.14Å; F217-F226 HydrophobicContact CE2-CE1 4.01Å; F217-F226 HydrophobicContact CE2-CE2 4.14Å; F217-F226 HydrophobicContact CE2-CG 4.1Å; F217-F226 HydrophobicContact CE2-CZ 4.07Å; Q220-F226 HydrophobicContact CB-CB 4.26Å; Q220-F226 HydrophobicContact CB-CD2 4.28Å; Q220-F226 PolarHBondContact O-N 3.08Å; W221-F226 HydrophobicContact CE3-CB 4.17Å; W221-F226 HydrophobicContact CE3-CD1 4.2Å; W221-F226 HydrophobicContact CE3-CG 4.39Å; W221-F226 HydrophobicContact CZ3-CD1 4.32Å; F226-G228 PolarHBondContact O-N 3.23Å; F226-W229 HydrophobicContact CB-CB 4.41Å; F226-W229 HydrophobicContact CD1-CB 3.99Å; F226-W229 AromaticContact CD1-CD1 3.31Å; F226-W229 AromaticContact CD1-CG 3.88Å; F226-W229 HydrophobicContact CD1-CG 3.88Å; F226-W229 AromaticContact CE1-CD1 3.52Å; F226-W229 HydrophobicContact CE1-CG 4.44Å; F226-W229 AromaticContact CE1-NE1 3.95Å; F226-W229 CarbonylContact O-C 3.54Å; F226-W229 WeakPolarHBondContact O-CA 3.29Å; F226-W229 PolarHBondContact O-N 3.02Å; F226-G230 PolarHBondContact O-N 3.24Å; F226-G230 VanDerWaalsContact O-N 3.11Å; F226-A332 HydrophobicContact CD1-CB 4.16Å; F226-A332 HydrophobicContact CE1-CB 3.9Å; F226-A332 WeakPolarHBondContact CZ-O 3.46Å; F226-E335 HydrophobicContact CE1-CB 4.42Å; F226-E335 HydrophobicContact CZ-CB 4.35Å; F226-A336 HydrophobicContact CE2-CB 3.89Å; F226-A336 HydrophobicContact CZ-CB 3.83Å; F226-Y339 HydrophobicContact CE1-CE2 4.42Å; F226-Y339 HydrophobicContact CE2-CD2 4.36Å; F226-Y339 HydrophobicContact CE2-CE2 4.23Å; F226-Y339 HydrophobicContact CZ-CD2 4.12Å; F226-Y339 AromaticContact CZ-CE2 3.72Å; F226-Y339 HydrophobicContact CZ-CE2 3.72Å
227P85.8Confident73.2Confident55 Ų5570.1 Ų70.136%0.35741%0.408SS..THydrogen-bonded Turntrans-53.2135.5-175-28.235.4000113.3Y171 W229Y171-P227 HydrophobicContact CD1-CB 4.48Å; P227-W229 VanDerWaalsContact O-CD1 3.26Å; P227-W229 PolarHBondContact O-N 3.27Å; P227-W229 VanDerWaalsContact O-N 3.11Å
228G82Confident70.7Confident21 Ų2172.7 Ų72.722%0.21643%0.429CS..THydrogen-bonded Turntrans74.2-12.3-17600000115.4R175 F226R175-G228 PolarHBondContact NE-O 2.94Å; F226-G228 PolarHBondContact O-N 3.23Å
229W84Confident68.3Low18 Ų1875.6 Ų75.67%0.06844%0.443CS..THydrogen-bonded Turntrans-118.8-4.4-176.2-63.691.4000114.8R175 K178 W221 F226 P227 L328 I331 A332 E335R175-W229 HydrophobicContact CG-CZ3 4.48Å; R175-W229 PolarHBondContact NH2-O 3.24Å; K178-W229 HydrophobicContact CD-CH2 3.93Å; K178-W229 HydrophobicContact CD-CZ2 3.42Å; K178-W229 VanDerWaalsContact CD-CZ2 3.42Å; W221-W229 HydrophobicContact CH2-CD2 4.36Å; W221-W229 HydrophobicContact CH2-CE3 4.15Å; W221-W229 HydrophobicContact CZ3-CB 3.79Å; W221-W229 HydrophobicContact CZ3-CD2 4.09Å; W221-W229 HydrophobicContact CZ3-CE3 4.32Å; W221-W229 AromaticContact CZ3-CG 3.89Å; W221-W229 HydrophobicContact CZ3-CG 3.89Å; F226-W229 HydrophobicContact CB-CB 4.41Å; F226-W229 HydrophobicContact CD1-CB 3.99Å; F226-W229 AromaticContact CD1-CD1 3.31Å; F226-W229 AromaticContact CD1-CG 3.88Å; F226-W229 HydrophobicContact CD1-CG 3.88Å; F226-W229 AromaticContact CE1-CD1 3.52Å; F226-W229 HydrophobicContact CE1-CG 4.44Å; F226-W229 AromaticContact CE1-NE1 3.95Å; F226-W229 CarbonylContact O-C 3.54Å; F226-W229 WeakPolarHBondContact O-CA 3.29Å; F226-W229 PolarHBondContact O-N 3.02Å; P227-W229 VanDerWaalsContact O-CD1 3.26Å; P227-W229 PolarHBondContact O-N 3.27Å; P227-W229 VanDerWaalsContact O-N 3.11Å; W229-L328 HydrophobicContact CH2-CB 4.06Å; W229-L328 HydrophobicContact CH2-CD2 3.73Å; W229-L328 HydrophobicContact CH2-CG 4.43Å; W229-L328 HydrophobicContact CZ3-CB 3.78Å; W229-L328 HydrophobicContact CZ3-CD1 4.39Å; W229-L328 HydrophobicContact CZ3-CD2 3.77Å; W229-L328 HydrophobicContact CZ3-CG 4.15Å; W229-I331 HydrophobicContact CH2-CG2 4.5Å; W229-I331 HydrophobicContact CZ2-CB 4.35Å; W229-I331 HydrophobicContact CZ2-CG2 3.96Å; W229-A332 HydrophobicContact CD2-CB 4.22Å; W229-A332 HydrophobicContact CG-CB 4.38Å; W229-A332 HydrophobicContact CZ2-CB 4.2Å; W229-E335 PolarHBondContact NE1-OE2 2.97Å
230G67.9Low65.9Low14 Ų1475.8 Ų75.814%0.14446%0.459CS..SBendtrans-69168.6175.800000115.5R175 G224 F226 E232 A233R175-G230 PolarHBondContact NH2-O 3.28Å; G224-G230 WeakPolarHBondContact O-CA 3.35Å; F226-G230 PolarHBondContact O-N 3.24Å; F226-G230 VanDerWaalsContact O-N 3.11Å; G230-E232 PolarHBondContact O-N 2.92Å; G230-A233 PolarHBondContact O-N 3.09Å; G230-A233 VanDerWaalsContact O-N 3.11Å
231R55.8Low64Low169 Ų16973.9 Ų73.964%0.63845%0.453SS*.THydrogen-bonded Turntrans-57.7-32-177.4-75.4-174.5174.4-172.53.5113.4A233 A234 W317R231-A233 VanDerWaalsContact C-N 3.31Å; R231-A233 PolarHBondContact O-N 3.42Å; R231-A234 PolarHBondContact O-N 2.72Å; R231-W317 HydrophobicContact CG-CH2 4.4Å; R231-W317 HydrophobicContact CG-CZ2 3.77Å
232E49Very low62.7Low176 Ų17674.3 Ų74.382%0.82247%0.471SS*.Hα-helixtrans-63.4-35.4178.4-65.5-178.5166.600112.4G230 A234 S235G230-E232 PolarHBondContact O-N 2.92Å; E232-A234 PolarHBondContact O-N 3.2Å; E232-S235 PolarHBondContact O-N 3.15Å
233A49Very low61.8Low53 Ų5376.2 Ų76.244%0.43847%0.472SS..Hα-helixtrans-69-16.9-179.900000113.6G230 R231G230-A233 PolarHBondContact O-N 3.09Å; G230-A233 VanDerWaalsContact O-N 3.11Å; R231-A233 VanDerWaalsContact C-N 3.31Å; R231-A233 PolarHBondContact O-N 3.42Å
234A43.1Very low61.3Low43 Ų4370.7 Ų70.736%0.35545%0.447SS..Hα-helixtrans-88.6-23.1175.600000113.4R231 E232R231-A234 PolarHBondContact O-N 2.72Å; E232-A234 PolarHBondContact O-N 3.2Å
235S37.6Very low61.2Low83 Ų8373.3 Ų73.358%0.5845%0.452SS*.Hα-helixtrans-82-23.1-170.4-158.40000113.8E232E232-S235 PolarHBondContact O-N 3.15Å
236A39Very low61Low88 Ų8871.3 Ų71.373%0.72743%0.433SS*.THydrogen-bonded Turntrans-79-18.7-173.100000115.2
237L43.3Very low60.6Low141 Ų14176.1 Ų76.174%0.73846%0.463SS*.THydrogen-bonded Turntrans-116.8-8.9-173.3-110.385.1000116
238A44Very low60.4Low56 Ų5677.2 Ų77.246%0.46348%0.477SS..SBendtrans-88-12.7-172.700000114.8
239H43.1Very low60.6Low136 Ų13677.8 Ų77.863%0.6347%0.474SS*.  trans-118.470-173.9-55.879.1000110.4G241H239-G241 PolarHBondContact O-N 3.24Å
240G42.5Very low60.6Low78 Ų7882.2 Ų82.280%0.80450%0.503SS*.  trans-67.312.6174.700000115
241G51.6Low61.6Low12 Ų1283 Ų8312%0.12451%0.508CS..SBendtrans-120.1130.4175.100000110.1H239 S265H239-G241 PolarHBondContact O-N 3.24Å; G241-S265 VanDerWaalsContact CA-O 3.22Å; G241-S265 WeakPolarHBondContact CA-O 3.4Å
242A63.7Low63.2Low73 Ų7377.3 Ų77.360%0.60349%0.486SS*.  trans-74.6126.1169.300000109.2L244A242-L244 PolarHBondContact O-N 3.44Å
243H69.4Low65.2Low149 Ų14973.9 Ų73.969%0.6947%0.47SS*.  trans-60130.5171.6-170.5-79000109.3
244L77.4Confident67.1Low21 Ų2174.8 Ų74.811%0.1147%0.465CS..  trans-108.9117.6178.1-173.773.8000108.5A242 L246 L255 L258 R262 A266 L285A242-L244 PolarHBondContact O-N 3.44Å; L244-L246 HydrophobicContact CD2-CD2 4.02Å; L244-L246 HydrophobicContact CG-CD2 4.32Å; L244-L246 PolarHBondContact O-N 3.38Å; L244-L255 HydrophobicContact CD2-CD2 3.99Å; L244-L258 HydrophobicContact CD1-CD1 4.1Å; L244-L258 HydrophobicContact CD2-CD1 3.63Å; L244-L258 HydrophobicContact CG-CD1 4.45Å; L244-R262 HydrophobicContact CD1-CG 4.46Å; L244-A266 HydrophobicContact CB-CB 3.63Å; L244-A266 HydrophobicContact CD2-CB 4.08Å; L244-L285 HydrophobicContact CD2-CD2 3.53Å
245D80.7Confident69.2Low90 Ų9072.7 Ų72.748%0.48145%0.448SS..  trans-71.5118.6174.2-175.13.1000110.2T247 F249D245-T247 WeakPolarHBondContact OD1-CB 3.43Å; D245-T247 VanDerWaalsContact OD1-CG2 3.24Å; D245-T247 WeakPolarHBondContact OD1-CG2 3.22Å; D245-T247 PolarHBondContact OD1-N 2.78Å; D245-T247 PolarHBondContact OD1-OG1 2.85Å; D245-T247 PolarHBondContact OD2-OG1 2.9Å; D245-F249 WeakPolarHBondContact O-CE2 3.44Å
246L82.6Confident71.6Confident16 Ų1669.6 Ų69.68%0.08443%0.428CS..  trans-87.9-7.6-178.3-55.2-179.4000112.7L244 A248 F249 L255 L285 K289L244-L246 HydrophobicContact CD2-CD2 4.02Å; L244-L246 HydrophobicContact CG-CD2 4.32Å; L244-L246 PolarHBondContact O-N 3.38Å; L246-A248 PolarHBondContact O-N 2.85Å; L246-F249 PolarHBondContact O-N 3.46Å; L246-L255 HydrophobicContact CD2-CD1 4.08Å; L246-L255 HydrophobicContact CD2-CD2 3.86Å; L246-L285 HydrophobicContact CD1-CG 4.24Å; L246-L285 WeakPolarHBondContact CD1-O 3.13Å; L246-L285 HydrophobicContact CD2-CD2 3.9Å; L246-L285 HydrophobicContact CD2-CG 3.85Å; L246-K289 HydrophobicContact CB-CB 4.21Å; L246-K289 HydrophobicContact CB-CD 4.18Å; L246-K289 HydrophobicContact CB-CG 3.97Å; L246-K289 HydrophobicContact CD1-CB 4.01Å; L246-K289 WeakPolarHBondContact O-CE 3.48Å; L246-K289 PolarHBondContact O-NZ 3.44Å; L246-K289 VanDerWaalsContact O-NZ 3.13Å
247T82.4Confident73.8Confident106 Ų10670.2 Ų70.265%0.6543%0.427SS*.THydrogen-bonded Turntrans-62.6-33.3-178.662.20000112.3D245 F249D245-T247 WeakPolarHBondContact OD1-CB 3.43Å; D245-T247 VanDerWaalsContact OD1-CG2 3.24Å; D245-T247 WeakPolarHBondContact OD1-CG2 3.22Å; D245-T247 PolarHBondContact OD1-N 2.78Å; D245-T247 PolarHBondContact OD1-OG1 2.85Å; D245-T247 PolarHBondContact OD2-OG1 2.9Å; T247-F249 VanDerWaalsContact C-N 3.3Å; T247-F249 PolarHBondContact O-N 3.21Å
248A80Confident75.8Confident79 Ų7965.4 Ų65.465%0.65340%0.401SS*.THydrogen-bonded Turntrans-73.3-14.1-177.800000115.2L246L246-A248 PolarHBondContact O-N 2.85Å
249F85.7Confident77.7Confident32 Ų3263.9 Ų63.914%0.1439%0.392CS..  trans-102.7138.3-174.4-62.1-83.9000110.4D245 L246 T247 E254 L255 L258 W286 K289D245-F249 WeakPolarHBondContact O-CE2 3.44Å; L246-F249 PolarHBondContact O-N 3.46Å; T247-F249 VanDerWaalsContact C-N 3.3Å; T247-F249 PolarHBondContact O-N 3.21Å; F249-E254 WeakPolarHBondContact CA-OE2 3.46Å; F249-E254 HydrophobicContact CD1-CB 3.77Å; F249-L255 HydrophobicContact CB-CD2 4.16Å; F249-L255 HydrophobicContact CB-CG 4.38Å; F249-L255 HydrophobicContact CD1-CD2 3.85Å; F249-L255 HydrophobicContact CD1-CG 4.45Å; F249-L255 HydrophobicContact CD2-CD2 3.55Å; F249-L255 HydrophobicContact CE1-CD2 4.12Å; F249-L255 HydrophobicContact CE2-CD2 3.84Å; F249-L255 HydrophobicContact CG-CD2 3.56Å; F249-L255 HydrophobicContact CG-CG 4.23Å; F249-L255 HydrophobicContact CZ-CD2 4.13Å; F249-L258 HydrophobicContact CE1-CD1 3.95Å; F249-L258 HydrophobicContact CE1-CD2 4.06Å; F249-L258 HydrophobicContact CE1-CG 4.14Å; F249-L258 HydrophobicContact CE2-CD1 4.33Å; F249-L258 HydrophobicContact CZ-CD1 3.62Å; F249-L258 HydrophobicContact CZ-CD2 3.98Å; F249-L258 HydrophobicContact CZ-CG 4.18Å; F249-W286 HydrophobicContact CB-CZ3 3.74Å; F249-W286 WeakPolarHBondContact O-CH2 3.47Å; F249-W286 WeakPolarHBondContact O-CZ3 3.29Å; F249-K289 PolarHBondContact O-NZ 3.41Å
250T85.4Confident79.6Confident111 Ų11161 Ų6168%0.68138%0.38SS*.SBendtrans-100-21.2-178.570.80000114.2E254 W286T250-E254 PolarHBondContact N-OE2 3.39Å; T250-E254 PolarHBondContact OG1-OE1 3.12Å; T250-W286 VanDerWaalsContact O-CH2 3.3Å; T250-W286 WeakPolarHBondContact O-CH2 3.02Å; T250-W286 WeakPolarHBondContact O-CZ2 3.45Å
251A88.1Confident81.5Confident30 Ų3062.9 Ų62.925%0.24837%0.372CS..SBendtrans-145160177.700000111.3E253 E254A251-E253 WeakPolarHBondContact CB-OE2 3.48Å; A251-E253 PolarHBondContact O-N 3.31Å; A251-E254 PolarHBondContact O-N 2.7Å
252W90Very high83.1Confident51 Ų5169.2 Ų69.219%0.19339%0.392CS..Hα-helixtrans-68.8-23.5-179.669.3-86.7000112E254 L255 A256 E279 A282 R283 W286W252-E254 PolarHBondContact O-N 2.78Å; W252-L255 WeakPolarHBondContact O-CB 3.45Å; W252-L255 PolarHBondContact O-N 3.35Å; W252-L255 VanDerWaalsContact O-N 3.1Å; W252-A256 PolarHBondContact O-N 3.15Å; W252-E279 HydrophobicContact CH2-CB 4.15Å; W252-E279 HydrophobicContact CH2-CG 4.14Å; W252-E279 HydrophobicContact CZ3-CB 3.72Å; W252-E279 HydrophobicContact CZ3-CG 3.88Å; W252-A282 HydrophobicContact CE3-CB 4.06Å; W252-R283 HydrophobicContact CB-CG 4.41Å; W252-R283 HydrophobicContact CD2-CG 3.63Å; W252-R283 HydrophobicContact CE3-CG 3.81Å; W252-R283 HydrophobicContact CG-CG 3.89Å; W252-R283 VanDerWaalsContact CZ2-NH2 3.32Å; W252-R283 HydrophobicContact CZ3-CG 4.44Å; W252-W286 HydrophobicContact CB-CB 3.75Å; W252-W286 HydrophobicContact CB-CD2 4.18Å; W252-W286 HydrophobicContact CB-CG 3.74Å
253E91.3Very high84.1Confident104 Ų10465.8 Ų65.849%0.48636%0.364SS..Hα-helixtrans-60.4-33.8174.1-65.983.2172.300111.4A251 A256 S257A251-E253 WeakPolarHBondContact CB-OE2 3.48Å; A251-E253 PolarHBondContact O-N 3.31Å; E253-A256 WeakPolarHBondContact O-CB 3.41Å; E253-A256 PolarHBondContact O-N 2.72Å; E253-S257 PolarHBondContact O-N 3Å
254E88.5Confident84.9Confident71 Ų7163 Ų6333%0.33235%0.349SS..Hα-helixtrans-71.3-34.2175.1-60.8176.2-176.800111.4F249 T250 A251 W252 A256 S257F249-E254 WeakPolarHBondContact CA-OE2 3.46Å; F249-E254 HydrophobicContact CD1-CB 3.77Å; T250-E254 PolarHBondContact N-OE2 3.39Å; T250-E254 PolarHBondContact OG1-OE1 3.12Å; A251-E254 PolarHBondContact O-N 2.7Å; W252-E254 PolarHBondContact O-N 2.78Å; E254-A256 VanDerWaalsContact C-N 3.33Å; E254-S257 WeakPolarHBondContact O-CB 3.48Å; E254-S257 PolarHBondContact O-N 2.68Å; E254-S257 PolarHBondContact O-OG 2.97Å
255L87Confident85.1Confident0 Ų064 Ų640%036%0.358CS..Hα-helixtrans-67.1-35173.3-69.2-179.1000112L244 L246 F249 W252 S257 L258 L263 A282 L285 W286L244-L255 HydrophobicContact CD2-CD2 3.99Å; L246-L255 HydrophobicContact CD2-CD1 4.08Å; L246-L255 HydrophobicContact CD2-CD2 3.86Å; F249-L255 HydrophobicContact CB-CD2 4.16Å; F249-L255 HydrophobicContact CB-CG 4.38Å; F249-L255 HydrophobicContact CD1-CD2 3.85Å; F249-L255 HydrophobicContact CD1-CG 4.45Å; F249-L255 HydrophobicContact CD2-CD2 3.55Å; F249-L255 HydrophobicContact CE1-CD2 4.12Å; F249-L255 HydrophobicContact CE2-CD2 3.84Å; F249-L255 HydrophobicContact CG-CD2 3.56Å; F249-L255 HydrophobicContact CG-CG 4.23Å; F249-L255 HydrophobicContact CZ-CD2 4.13Å; W252-L255 WeakPolarHBondContact O-CB 3.45Å; W252-L255 PolarHBondContact O-N 3.35Å; W252-L255 VanDerWaalsContact O-N 3.1Å; L255-S257 PolarHBondContact O-N 2.95Å; L255-L258 HydrophobicContact CD2-CD1 3.91Å; L255-L258 VanDerWaalsContact O-CB 3.32Å; L255-L258 WeakPolarHBondContact O-CB 3.36Å; L255-L258 PolarHBondContact O-N 3.41Å; L255-L258 VanDerWaalsContact O-N 3.14Å; L255-L263 HydrophobicContact CB-CD2 4.11Å; L255-A282 HydrophobicContact CB-CB 4.06Å; L255-L285 HydrophobicContact CD1-CB 4.4Å; L255-L285 HydrophobicContact CD1-CD2 4.34Å; L255-L285 HydrophobicContact CD1-CG 4.43Å; L255-W286 HydrophobicContact CD1-CB 3.97Å; L255-W286 HydrophobicContact CD1-CD2 4.49Å; L255-W286 HydrophobicContact CD1-CE3 3.71Å; L255-W286 HydrophobicContact CG-CE3 4.22Å
256A87.7Confident85.3Confident18 Ų1859.8 Ų59.815%0.14934%0.336CS..Hα-helixtrans-58.5-36.1174.400000111.5W252 E253 E254 L258 G259 L278 A282W252-A256 PolarHBondContact O-N 3.15Å; E253-A256 WeakPolarHBondContact O-CB 3.41Å; E253-A256 PolarHBondContact O-N 2.72Å; E254-A256 VanDerWaalsContact C-N 3.33Å; A256-L258 PolarHBondContact O-N 3.18Å; A256-L258 VanDerWaalsContact O-N 3.16Å; A256-G259 PolarHBondContact O-N 3.2Å; A256-L278 HydrophobicContact CB-CD2 3.38Å; A256-L278 WeakPolarHBondContact O-CD2 3.46Å; A256-A282 HydrophobicContact CB-CB 4.08Å
257S86.3Confident85.5Confident100 Ų10059 Ų5970%0.69933%0.332SS*.THydrogen-bonded Turntrans-64.3-18.4178.179.10000114.5E253 E254 L255 G259E253-S257 PolarHBondContact O-N 3Å; E254-S257 WeakPolarHBondContact O-CB 3.48Å; E254-S257 PolarHBondContact O-N 2.68Å; E254-S257 PolarHBondContact O-OG 2.97Å; L255-S257 PolarHBondContact O-N 2.95Å; S257-G259 PolarHBondContact O-N 2.69Å
258L84.4Confident85.5Confident40 Ų4058.2 Ų58.221%0.20932%0.323CS..THydrogen-bonded Turntrans-72.7-12.4178.7-62.5177.3000113.9L244 F249 L255 A256 R262L244-L258 HydrophobicContact CD1-CD1 4.1Å; L244-L258 HydrophobicContact CD2-CD1 3.63Å; L244-L258 HydrophobicContact CG-CD1 4.45Å; F249-L258 HydrophobicContact CE1-CD1 3.95Å; F249-L258 HydrophobicContact CE1-CD2 4.06Å; F249-L258 HydrophobicContact CE1-CG 4.14Å; F249-L258 HydrophobicContact CE2-CD1 4.33Å; F249-L258 HydrophobicContact CZ-CD1 3.62Å; F249-L258 HydrophobicContact CZ-CD2 3.98Å; F249-L258 HydrophobicContact CZ-CG 4.18Å; L255-L258 HydrophobicContact CD2-CD1 3.91Å; L255-L258 VanDerWaalsContact O-CB 3.32Å; L255-L258 WeakPolarHBondContact O-CB 3.36Å; L255-L258 PolarHBondContact O-N 3.41Å; L255-L258 VanDerWaalsContact O-N 3.14Å; A256-L258 PolarHBondContact O-N 3.18Å; A256-L258 VanDerWaalsContact O-N 3.16Å; L258-R262 HydrophobicContact CB-CB 4.18Å; L258-R262 HydrophobicContact CB-CG 4.34Å; L258-R262 WeakPolarHBondContact O-CB 3.42Å
259G83Confident85.5Confident25 Ų2556 Ų5626%0.25831%0.306SS..  trans84165.5179.600000114.1A256 S257 D261 L263A256-G259 PolarHBondContact O-N 3.2Å; S257-G259 PolarHBondContact O-N 2.69Å; G259-D261 PolarHBondContact O-N 3.36Å; G259-L263 WeakPolarHBondContact O-CG 3.45Å; G259-L263 PolarHBondContact O-N 3.41Å
260L84.5Confident85.3Confident74 Ų7456.5 Ų56.539%0.38731%0.309SS..Hα-helixtrans-66.7-36.1-168.4-163.9121.8000113.2K264 L278 R281L260-K264 VanDerWaalsContact O-CB 3.31Å; L260-K264 WeakPolarHBondContact O-CB 3.26Å; L260-K264 PolarHBondContact O-N 3.06Å; L260-L278 HydrophobicContact CB-CD1 4.41Å; L260-L278 HydrophobicContact CD1-CB 4.3Å; L260-R281 VanDerWaalsContact CD2-NH1 3.3Å
261D82.5Confident85.1Confident119 Ų11953.1 Ų53.164%0.63630%0.296SS*.Hα-helixtrans-71.6-42.6-178-67.5-53.2000112.2G259 L263 K264 S265G259-D261 PolarHBondContact O-N 3.36Å; D261-L263 PolarHBondContact O-N 3.41Å; D261-K264 WeakPolarHBondContact O-CB 3.44Å; D261-K264 PolarHBondContact O-N 3.19Å; D261-S265 PolarHBondContact O-N 3.45Å; D261-S265 PolarHBondContact O-OG 3.02Å
262R84.4Confident84.9Confident145 Ų14551.7 Ų51.755%0.54728%0.284SS..Hα-helixtrans-66.5-41.2179.8-165159.4-178-178.51.2111.5L244 L258 S265 A266L244-R262 HydrophobicContact CD1-CG 4.46Å; L258-R262 HydrophobicContact CB-CB 4.18Å; L258-R262 HydrophobicContact CB-CG 4.34Å; L258-R262 WeakPolarHBondContact O-CB 3.42Å; R262-S265 PolarHBondContact O-N 3.02Å; R262-A266 WeakPolarHBondContact O-CB 3.49Å; R262-A266 PolarHBondContact O-N 3.47Å
263L85.3Confident84.7Confident0 Ų052.6 Ų52.60%029%0.29CS..Hα-helixtrans-63.9-40.3172.8-68.1174.9000112.2L255 G259 D261 A266 L267 L278 R281 A282 L285L255-L263 HydrophobicContact CB-CD2 4.11Å; G259-L263 WeakPolarHBondContact O-CG 3.45Å; G259-L263 PolarHBondContact O-N 3.41Å; D261-L263 PolarHBondContact O-N 3.41Å; L263-A266 PolarHBondContact O-N 3.17Å; L263-L267 WeakPolarHBondContact O-CB 3.42Å; L263-L267 VanDerWaalsContact O-CG 3.27Å; L263-L267 WeakPolarHBondContact O-CG 3.21Å; L263-L267 PolarHBondContact O-N 3.4Å; L263-L278 HydrophobicContact CD1-CG 4.28Å; L263-R281 HydrophobicContact CB-CB 4.23Å; L263-R281 HydrophobicContact CD1-CB 4.23Å; L263-A282 HydrophobicContact CD1-CB 3.96Å; L263-A282 HydrophobicContact CD2-CB 4.46Å; L263-L285 HydrophobicContact CD2-CD2 3.74Å
264K85.3Confident84.4Confident90 Ų9049.5 Ų49.539%0.39128%0.279SS..Hα-helixtrans-61.2-48.3175.8-174.8-174.9175-1720110.9L260 D261 A266 L267 L268 C274L260-K264 VanDerWaalsContact O-CB 3.31Å; L260-K264 WeakPolarHBondContact O-CB 3.26Å; L260-K264 PolarHBondContact O-N 3.06Å; D261-K264 WeakPolarHBondContact O-CB 3.44Å; D261-K264 PolarHBondContact O-N 3.19Å; K264-A266 PolarHBondContact O-N 3.27Å; K264-L267 PolarHBondContact O-N 2.84Å; K264-L268 HydrophobicContact CG-CD1 3.98Å; K264-L268 HydrophobicContact CG-CG 4.48Å; K264-L268 WeakPolarHBondContact O-CB 3.43Å; K264-L268 VanDerWaalsContact O-CG 3.24Å; K264-L268 WeakPolarHBondContact O-CG 3.17Å; K264-L268 PolarHBondContact O-N 3.07Å; K264-C274 HydrophobicContact CG-CB 4.28Å
265S82.7Confident84.2Confident42 Ų4248.1 Ų48.129%0.29428%0.284SS..Hα-helixtrans-61.2-43178.4-65.30000112.1G241 D261 R262 L268 A269G241-S265 VanDerWaalsContact CA-O 3.22Å; G241-S265 WeakPolarHBondContact CA-O 3.4Å; D261-S265 PolarHBondContact O-N 3.45Å; D261-S265 PolarHBondContact O-OG 3.02Å; R262-S265 PolarHBondContact O-N 3.02Å; S265-L268 PolarHBondContact O-N 3.25Å; S265-A269 WeakPolarHBondContact O-CB 3.25Å; S265-A269 PolarHBondContact O-N 2.73Å
266A84.3Confident84.1Confident3 Ų350.1 Ų50.13%0.02531%0.305CS..Hα-helixtrans-66.1-42.8177.500000112.8L244 R262 L263 K264 A269 L270 L285L244-A266 HydrophobicContact CB-CB 3.63Å; L244-A266 HydrophobicContact CD2-CB 4.08Å; R262-A266 WeakPolarHBondContact O-CB 3.49Å; R262-A266 PolarHBondContact O-N 3.47Å; L263-A266 PolarHBondContact O-N 3.17Å; K264-A266 PolarHBondContact O-N 3.27Å; A266-A269 WeakPolarHBondContact O-CB 2.95Å; A266-A269 PolarHBondContact O-N 3.22Å; A266-L270 PolarHBondContact O-N 3.02Å; A266-L285 HydrophobicContact CB-CD1 3.93Å; A266-L285 HydrophobicContact CB-CD2 3.64Å; A266-L285 HydrophobicContact CB-CG 4.47Å
267L87.1Confident84.2Confident0 Ų052.8 Ų52.80%032%0.319CS..Hα-helixtrans-65-39.9175.9-73170.3000111.9L263 K264 L270 G271 L272 R281 R284 L285L263-L267 WeakPolarHBondContact O-CB 3.42Å; L263-L267 VanDerWaalsContact O-CG 3.27Å; L263-L267 WeakPolarHBondContact O-CG 3.21Å; L263-L267 PolarHBondContact O-N 3.4Å; K264-L267 PolarHBondContact O-N 2.84Å; L267-L270 CarbonylContact O-C 3.52Å; L267-L270 PolarHBondContact O-N 3Å; L267-G271 PolarHBondContact O-N 3.44Å; L267-G271 VanDerWaalsContact O-N 3.11Å; L267-L272 HydrophobicContact CB-CB 4.35Å; L267-L272 HydrophobicContact CD2-CB 3.82Å; L267-L272 HydrophobicContact CD2-CD1 3.73Å; L267-L272 HydrophobicContact CD2-CG 4.44Å; L267-L272 PolarHBondContact O-N 3.19Å; L267-R281 HydrophobicContact CD1-CB 3.8Å; L267-R281 HydrophobicContact CD1-CG 4.01Å; L267-R284 HydrophobicContact CD2-CB 4.16Å; L267-R284 HydrophobicContact CD2-CG 4.08Å; L267-L285 HydrophobicContact CD2-CB 3.93Å; L267-L285 HydrophobicContact CD2-CD1 4.09Å; L267-L285 HydrophobicContact CG-CB 4.38Å; L267-L285 HydrophobicContact CG-CD1 4.43Å
268L82.4Confident84.3Confident88 Ų8850.8 Ų50.846%0.46130%0.3SS..Hα-helixtrans-66.5-37.3175.7-73.5174.2000112K264 S265 L270 G271K264-L268 HydrophobicContact CG-CD1 3.98Å; K264-L268 HydrophobicContact CG-CG 4.48Å; K264-L268 WeakPolarHBondContact O-CB 3.43Å; K264-L268 VanDerWaalsContact O-CG 3.24Å; K264-L268 WeakPolarHBondContact O-CG 3.17Å; K264-L268 PolarHBondContact O-N 3.07Å; S265-L268 PolarHBondContact O-N 3.25Å; L268-L270 PolarHBondContact O-N 3.28Å; L268-G271 PolarHBondContact O-N 3.16Å; L268-G271 VanDerWaalsContact O-N 3.14Å
269A80.3Confident84.6Confident34 Ų3453.8 Ų53.828%0.28131%0.313SS..Hα-helixtrans-59.6-31.2173.900000112.3S265 A266S265-A269 WeakPolarHBondContact O-CB 3.25Å; S265-A269 PolarHBondContact O-N 2.73Å; A266-A269 WeakPolarHBondContact O-CB 2.95Å; A266-A269 PolarHBondContact O-N 3.22Å
270L81.3Confident85Confident42 Ų4257.1 Ų57.122%0.2232%0.322CS..THydrogen-bonded Turntrans-95-0.3178.2-64174000114A266 L267 L268 L272 L285A266-L270 PolarHBondContact O-N 3.02Å; L267-L270 CarbonylContact O-C 3.52Å; L267-L270 PolarHBondContact O-N 3Å; L268-L270 PolarHBondContact O-N 3.28Å; L270-L272 VanDerWaalsContact C-N 3.28Å; L270-L272 HydrophobicContact CB-CD1 3.59Å; L270-L272 HydrophobicContact CB-CG 3.96Å; L270-L272 HydrophobicContact CD1-CD1 3.81Å; L270-L272 HydrophobicContact CG-CD1 4.37Å; L270-L272 PolarHBondContact O-N 3.33Å; L270-L285 HydrophobicContact CD1-CD1 3.68Å
271G80.9Confident85.3Confident39 Ų3955.1 Ų55.140%0.40231%0.309SS..THydrogen-bonded Turntrans7116.9-177.600000115.4L267 L268L267-G271 PolarHBondContact O-N 3.44Å; L267-G271 VanDerWaalsContact O-N 3.11Å; L268-G271 PolarHBondContact O-N 3.16Å; L268-G271 VanDerWaalsContact O-N 3.14Å
272L84.8Confident85.7Confident0 Ų049.5 Ų49.50%028%0.279CS..BIsolated β-bridgetrans-86154.6-177.4-62.9158.8000111.5L267 L270 C274 T288 L296 L300 F301L267-L272 HydrophobicContact CB-CB 4.35Å; L267-L272 HydrophobicContact CD2-CB 3.82Å; L267-L272 HydrophobicContact CD2-CD1 3.73Å; L267-L272 HydrophobicContact CD2-CG 4.44Å; L267-L272 PolarHBondContact O-N 3.19Å; L270-L272 VanDerWaalsContact C-N 3.28Å; L270-L272 HydrophobicContact CB-CD1 3.59Å; L270-L272 HydrophobicContact CB-CG 3.96Å; L270-L272 HydrophobicContact CD1-CD1 3.81Å; L270-L272 HydrophobicContact CG-CD1 4.37Å; L270-L272 PolarHBondContact O-N 3.33Å; L272-C274 PolarHBondContact O-N 3.48Å; L272-T288 HydrophobicContact CD1-CG2 3.53Å; L272-T288 HydrophobicContact CD2-CG2 4.42Å; L272-L296 HydrophobicContact CD2-CD1 4.29Å; L272-L300 HydrophobicContact CD2-CB 3.77Å; L272-F301 HydrophobicContact CD2-CD1 4.21Å; L272-F301 HydrophobicContact CD2-CE1 4.01Å; L272-F301 HydrophobicContact CD2-CZ 4.24Å
273K85.6Confident86Confident71 Ų7148.6 Ų48.631%0.30928%0.276SS..  trans-57129.8172.4-75.1172.9174.8156.60110R284 D299 L300 F301 V302K273-R284 WeakPolarHBondContact O-CD 3.24Å; K273-R284 PolarHBondContact O-NE 3.45Å; K273-R284 PolarHBondContact O-NH1 3.18Å; K273-D299 WeakPolarHBondContact CD-O 3.47Å; K273-D299 WeakPolarHBondContact CE-O 3.47Å; K273-D299 PolarHBondContact NZ-O 2.62Å; K273-L300 PolarHBondContact N-O 3.25Å; K273-F301 WeakPolarHBondContact CE-O 3.45Å; K273-V302 HydrophobicContact CG-CG2 4.12Å
274C84.4Confident86.3Confident39 Ų3950.7 Ų50.726%0.26428%0.284SS..  trans-102.88.2-179.766.60000114.2K264 L272 R281K264-C274 HydrophobicContact CG-CB 4.28Å; L272-C274 PolarHBondContact O-N 3.48Å; C274-R281 PolarHBondContact O-NE 3.01Å; C274-R281 PolarHBondContact O-NH2 3.13Å
275G83.4Confident86.5Confident42 Ų4246.4 Ų46.443%0.43327%0.265SS..  trans-75.7163.5178.800000113.5R284G275-R284 PolarHBondContact O-NH1 3.4Å; G275-R284 PolarHBondContact O-NH2 3.19Å
276G86Confident86.9Confident42 Ų4247.6 Ų47.643%0.43326%0.263SS..SBendtrans107.2-179.7174.800000115.7E280 R281G276-E280 WeakPolarHBondContact CA-OE2 3.2Å; G276-R281 PolarHBondContact O-NE 3.43Å
277T88.7Confident87Confident74 Ų7449.3 Ų49.345%0.45428%0.277SS..  trans-65.5164.317468.40000111E279 E280 R281T277-E279 PolarHBondContact O-N 3.48Å; T277-E280 PolarHBondContact N-OE2 2.99Å; T277-E280 PolarHBondContact O-N 2.8Å; T277-E280 WeakPolarHBondContact OG1-CG 3.21Å; T277-E280 PolarHBondContact OG1-N 2.66Å; T277-R281 WeakPolarHBondContact O-CG 3.3Å; T277-R281 PolarHBondContact O-N 3.04Å
278L88.6Confident87Confident58 Ų5850 Ų5030%0.30428%0.282SS..Hα-helixtrans-57.8-39.6176.8-179.4150.7000111.4A256 L260 L263 R281 A282A256-L278 HydrophobicContact CB-CD2 3.38Å; A256-L278 WeakPolarHBondContact O-CD2 3.46Å; L260-L278 HydrophobicContact CB-CD1 4.41Å; L260-L278 HydrophobicContact CD1-CB 4.3Å; L263-L278 HydrophobicContact CD1-CG 4.28Å; L278-R281 PolarHBondContact O-N 2.81Å; L278-A282 WeakPolarHBondContact O-CB 3.5Å; L278-A282 PolarHBondContact O-N 2.83Å
279E90.9Very high87.2Confident103 Ų10349.4 Ų49.448%0.48128%0.275SS..Hα-helixtrans-63-43.6174.8-59179.2-170.900112.2W252 T277 R281 A282 R283W252-E279 HydrophobicContact CH2-CB 4.15Å; W252-E279 HydrophobicContact CH2-CG 4.14Å; W252-E279 HydrophobicContact CZ3-CB 3.72Å; W252-E279 HydrophobicContact CZ3-CG 3.88Å; T277-E279 PolarHBondContact O-N 3.48Å; E279-R281 PolarHBondContact O-N 2.76Å; E279-A282 PolarHBondContact O-N 3.47Å; E279-R283 WeakPolarHBondContact O-CB 3.33Å; E279-R283 WeakPolarHBondContact O-CG 3.41Å; E279-R283 PolarHBondContact O-N 3.32Å
280E91.1Very high87.2Confident94 Ų9451.8 Ų51.844%0.43930%0.304SS..Hα-helixtrans-63.8-39.6177.9-73.8169.5177.900112.1G276 T277 R284G276-E280 WeakPolarHBondContact CA-OE2 3.2Å; T277-E280 PolarHBondContact N-OE2 2.99Å; T277-E280 PolarHBondContact O-N 2.8Å; T277-E280 WeakPolarHBondContact OG1-CG 3.21Å; T277-E280 PolarHBondContact OG1-N 2.66Å; E280-R284 VanDerWaalsContact O-CB 3.28Å; E280-R284 WeakPolarHBondContact O-CB 3.49Å; E280-R284 PolarHBondContact O-N 3.26Å
281R90.6Very high87.3Confident33 Ų3355 Ų5513%0.12532%0.315CS..Hα-helixtrans-66.5-43.2175.6-67.3-179.4-166.7-158.5-1.8111.5L260 L263 L267 C274 G276 T277 L278 E279 R284 L285L260-R281 VanDerWaalsContact CD2-NH1 3.3Å; L263-R281 HydrophobicContact CB-CB 4.23Å; L263-R281 HydrophobicContact CD1-CB 4.23Å; L267-R281 HydrophobicContact CD1-CB 3.8Å; L267-R281 HydrophobicContact CD1-CG 4.01Å; C274-R281 PolarHBondContact O-NE 3.01Å; C274-R281 PolarHBondContact O-NH2 3.13Å; G276-R281 PolarHBondContact O-NE 3.43Å; T277-R281 WeakPolarHBondContact O-CG 3.3Å; T277-R281 PolarHBondContact O-N 3.04Å; L278-R281 PolarHBondContact O-N 2.81Å; E279-R281 PolarHBondContact O-N 2.76Å; R281-R284 PolarHBondContact O-N 3.03Å; R281-L285 PolarHBondContact O-N 3.21Å
282A91Very high87.2Confident0 Ų055.4 Ų55.40%031%0.313CS..Hα-helixtrans-62.5-46.3177.100000111.4W252 L255 A256 L263 L278 E279 R284 L285 W286W252-A282 HydrophobicContact CE3-CB 4.06Å; L255-A282 HydrophobicContact CB-CB 4.06Å; A256-A282 HydrophobicContact CB-CB 4.08Å; L263-A282 HydrophobicContact CD1-CB 3.96Å; L263-A282 HydrophobicContact CD2-CB 4.46Å; L278-A282 WeakPolarHBondContact O-CB 3.5Å; L278-A282 PolarHBondContact O-N 2.83Å; E279-A282 PolarHBondContact O-N 3.47Å; A282-R284 VanDerWaalsContact C-N 3.33Å; A282-R284 PolarHBondContact O-N 3.12Å; A282-L285 PolarHBondContact O-N 3.3Å; A282-W286 VanDerWaalsContact O-CB 3.25Å; A282-W286 WeakPolarHBondContact O-CB 3.46Å; A282-W286 PolarHBondContact O-N 3.44Å
283R91.4Very high86.8Confident126 Ų12659.9 Ų59.948%0.47534%0.336SS..Hα-helixtrans-61.8-38.6174.3-71.8179.6-172.4165.47.9112.5W252 E279 W286 A287W252-R283 HydrophobicContact CB-CG 4.41Å; W252-R283 HydrophobicContact CD2-CG 3.63Å; W252-R283 HydrophobicContact CE3-CG 3.81Å; W252-R283 HydrophobicContact CG-CG 3.89Å; W252-R283 VanDerWaalsContact CZ2-NH2 3.32Å; W252-R283 HydrophobicContact CZ3-CG 4.44Å; E279-R283 WeakPolarHBondContact O-CB 3.33Å; E279-R283 WeakPolarHBondContact O-CG 3.41Å; E279-R283 PolarHBondContact O-N 3.32Å; R283-W286 PolarHBondContact O-N 2.94Å; R283-A287 WeakPolarHBondContact O-CB 3.42Å; R283-A287 PolarHBondContact O-N 2.65Å
284R90.8Very high86.5Confident44 Ų4465.4 Ų65.417%0.16636%0.363CS..Hα-helixtrans-65.5-44.1178.3-164.9179.8-60.4115.510.5112.3L267 K273 G275 E280 R281 A282 A287 L300L267-R284 HydrophobicContact CD2-CB 4.16Å; L267-R284 HydrophobicContact CD2-CG 4.08Å; K273-R284 WeakPolarHBondContact O-CD 3.24Å; K273-R284 PolarHBondContact O-NE 3.45Å; K273-R284 PolarHBondContact O-NH1 3.18Å; G275-R284 PolarHBondContact O-NH1 3.4Å; G275-R284 PolarHBondContact O-NH2 3.19Å; E280-R284 VanDerWaalsContact O-CB 3.28Å; E280-R284 WeakPolarHBondContact O-CB 3.49Å; E280-R284 PolarHBondContact O-N 3.26Å; R281-R284 PolarHBondContact O-N 3.03Å; A282-R284 VanDerWaalsContact C-N 3.33Å; A282-R284 PolarHBondContact O-N 3.12Å; R284-A287 PolarHBondContact O-N 2.96Å; R284-L300 HydrophobicContact CG-CD2 3.69Å
285L90Very high86.3Confident1 Ų169.3 Ų69.31%0.00538%0.377CS..Hα-helixtrans-68.6-40.5175.2-171.666.8000110.8L244 L246 L255 L263 A266 L267 L270 R281 A282 A287 T288L244-L285 HydrophobicContact CD2-CD2 3.53Å; L246-L285 HydrophobicContact CD1-CG 4.24Å; L246-L285 WeakPolarHBondContact CD1-O 3.13Å; L246-L285 HydrophobicContact CD2-CD2 3.9Å; L246-L285 HydrophobicContact CD2-CG 3.85Å; L255-L285 HydrophobicContact CD1-CB 4.4Å; L255-L285 HydrophobicContact CD1-CD2 4.34Å; L255-L285 HydrophobicContact CD1-CG 4.43Å; L263-L285 HydrophobicContact CD2-CD2 3.74Å; A266-L285 HydrophobicContact CB-CD1 3.93Å; A266-L285 HydrophobicContact CB-CD2 3.64Å; A266-L285 HydrophobicContact CB-CG 4.47Å; L267-L285 HydrophobicContact CD2-CB 3.93Å; L267-L285 HydrophobicContact CD2-CD1 4.09Å; L267-L285 HydrophobicContact CG-CB 4.38Å; L267-L285 HydrophobicContact CG-CD1 4.43Å; L270-L285 HydrophobicContact CD1-CD1 3.68Å; R281-L285 PolarHBondContact O-N 3.21Å; A282-L285 PolarHBondContact O-N 3.3Å; L285-A287 VanDerWaalsContact C-N 3.28Å; L285-A287 PolarHBondContact O-N 3.07Å; L285-T288 PolarHBondContact O-N 3.14Å; L285-T288 VanDerWaalsContact O-N 3.12Å; L285-T288 PolarHBondContact O-OG1 3.26Å
286W90.6Very high86.1Confident67 Ų6767.9 Ų67.925%0.25436%0.36SS..Hα-helixtrans-60.6-36.3175.2-172.1-103.8000112.8F249 T250 W252 L255 A282 R283 T288 K289F249-W286 HydrophobicContact CB-CZ3 3.74Å; F249-W286 WeakPolarHBondContact O-CH2 3.47Å; F249-W286 WeakPolarHBondContact O-CZ3 3.29Å; T250-W286 VanDerWaalsContact O-CH2 3.3Å; T250-W286 WeakPolarHBondContact O-CH2 3.02Å; T250-W286 WeakPolarHBondContact O-CZ2 3.45Å; W252-W286 HydrophobicContact CB-CB 3.75Å; W252-W286 HydrophobicContact CB-CD2 4.18Å; W252-W286 HydrophobicContact CB-CG 3.74Å; L255-W286 HydrophobicContact CD1-CB 3.97Å; L255-W286 HydrophobicContact CD1-CD2 4.49Å; L255-W286 HydrophobicContact CD1-CE3 3.71Å; L255-W286 HydrophobicContact CG-CE3 4.22Å; A282-W286 VanDerWaalsContact O-CB 3.25Å; A282-W286 WeakPolarHBondContact O-CB 3.46Å; A282-W286 PolarHBondContact O-N 3.44Å; R283-W286 PolarHBondContact O-N 2.94Å; W286-T288 PolarHBondContact O-N 2.88Å; W286-T288 VanDerWaalsContact O-N 3.12Å; W286-K289 HydrophobicContact CD2-CD 4.48Å; W286-K289 HydrophobicContact CE3-CD 4.09Å; W286-K289 HydrophobicContact CH2-CD 3.63Å; W286-K289 HydrophobicContact CZ2-CD 4.04Å; W286-K289 HydrophobicContact CZ3-CD 3.65Å; W286-K289 WeakPolarHBondContact O-CB 3.31Å; W286-K289 PolarHBondContact O-N 2.87Å
287A88Confident85.9Confident39 Ų3969.2 Ų69.232%0.32236%0.361SS..THydrogen-bonded Turntrans-63-16.5177.600000113.8R283 R284 L285R283-A287 WeakPolarHBondContact O-CB 3.42Å; R283-A287 PolarHBondContact O-N 2.65Å; R284-A287 PolarHBondContact O-N 2.96Å; L285-A287 VanDerWaalsContact C-N 3.28Å; L285-A287 PolarHBondContact O-N 3.07Å
288T87.3Confident85.5Confident15 Ų1569.5 Ų69.59%0.09237%0.371CS..THydrogen-bonded Turntrans-91.3-4.8174.373.90000113.6L272 L285 W286 G290 K291 L296L272-T288 HydrophobicContact CD1-CG2 3.53Å; L272-T288 HydrophobicContact CD2-CG2 4.42Å; L285-T288 PolarHBondContact O-N 3.14Å; L285-T288 VanDerWaalsContact O-N 3.12Å; L285-T288 PolarHBondContact O-OG1 3.26Å; W286-T288 PolarHBondContact O-N 2.88Å; W286-T288 VanDerWaalsContact O-N 3.12Å; T288-G290 PolarHBondContact O-N 3.11Å; T288-K291 PolarHBondContact O-N 2.91Å; T288-L296 HydrophobicContact CG2-CD1 3.43Å; T288-L296 VanDerWaalsContact CG2-CD1 3.43Å; T288-L296 HydrophobicContact CG2-CD2 3.86Å; T288-L296 HydrophobicContact CG2-CG 4.31Å
289K85.8Confident85.2Confident74 Ų7471.7 Ų71.732%0.32238%0.383SS..THydrogen-bonded Turntrans-64.6118.7177.4-172176.2179.6177.70109.9L246 F249 W286 K291L246-K289 HydrophobicContact CB-CB 4.21Å; L246-K289 HydrophobicContact CB-CD 4.18Å; L246-K289 HydrophobicContact CB-CG 3.97Å; L246-K289 HydrophobicContact CD1-CB 4.01Å; L246-K289 WeakPolarHBondContact O-CE 3.48Å; L246-K289 PolarHBondContact O-NZ 3.44Å; L246-K289 VanDerWaalsContact O-NZ 3.13Å; F249-K289 PolarHBondContact O-NZ 3.41Å; W286-K289 HydrophobicContact CD2-CD 4.48Å; W286-K289 HydrophobicContact CE3-CD 4.09Å; W286-K289 HydrophobicContact CH2-CD 3.63Å; W286-K289 HydrophobicContact CZ2-CD 4.04Å; W286-K289 HydrophobicContact CZ3-CD 3.65Å; W286-K289 WeakPolarHBondContact O-CB 3.31Å; W286-K289 PolarHBondContact O-N 2.87Å; K289-K291 VanDerWaalsContact C-N 3.31Å; K289-K291 PolarHBondContact O-N 2.94Å
290G80.8Confident84.6Confident85 Ų8568 Ų6888%0.87637%0.366SS*.THydrogen-bonded Turntrans77.67.8176.800000115.6T288T288-G290 PolarHBondContact O-N 3.11Å
291K83.1Confident84.2Confident108 Ų10866 Ų6647%0.4736%0.356SS..  trans-111.9143.6175.9-65.2-175.2-176.3175.90110.7T288 K289 E295 L296T288-K291 PolarHBondContact O-N 2.91Å; K289-K291 VanDerWaalsContact C-N 3.31Å; K289-K291 PolarHBondContact O-N 2.94Å; K291-E295 WeakPolarHBondContact CA-OE2 3.19Å; K291-E295 HydrophobicContact CB-CB 4.28Å; K291-L296 HydrophobicContact CB-CD2 4.2Å; K291-L296 HydrophobicContact CD-CD2 4Å
292S78.3Confident83.5Confident49 Ų4969.3 Ų69.334%0.34338%0.379SS..  trans-70.4155.2167.767.20000110.4E294 E295S292-E294 PolarHBondContact O-N 3.31Å; S292-E294 VanDerWaalsContact O-N 3.08Å; S292-E295 PolarHBondContact N-OE2 3.38Å; S292-E295 PolarHBondContact O-N 3.03Å; S292-E295 VanDerWaalsContact OG-CG 3.31Å; S292-E295 WeakPolarHBondContact OG-CG 3.44Å; S292-E295 PolarHBondContact OG-OE1 2.98Å
293L77.1Confident81.9Confident94 Ų9473.5 Ų73.549%0.49241%0.405SS..THydrogen-bonded Turntrans-57.6-24.1178.5-82.8154.6000112.7L296 F301L293-L296 HydrophobicContact CD2-CD1 4.36Å; L293-F301 HydrophobicContact CD2-CE1 3.78Å; L293-F301 HydrophobicContact CD2-CZ 3.89Å; L293-F301 WeakPolarHBondContact O-CZ 3.46Å
294E78.5Confident80Confident186 Ų18677.5 Ų77.587%0.86943%0.426SS*.THydrogen-bonded Turntrans-79.8-24.1179.9-60.9178-175.600113.1S292 L296S292-E294 PolarHBondContact O-N 3.31Å; S292-E294 VanDerWaalsContact O-N 3.08Å; E294-L296 VanDerWaalsContact C-N 3.3Å
295E79.9Confident77.3Confident121 Ų12183.9 Ų83.957%0.56546%0.458SS*.SBendtrans-83.1-7.1177.9-72.7159.3-143.700113.3K291 S292K291-E295 WeakPolarHBondContact CA-OE2 3.19Å; K291-E295 HydrophobicContact CB-CB 4.28Å; S292-E295 PolarHBondContact N-OE2 3.38Å; S292-E295 PolarHBondContact O-N 3.03Å; S292-E295 VanDerWaalsContact OG-CG 3.31Å; S292-E295 WeakPolarHBondContact OG-CG 3.44Å; S292-E295 PolarHBondContact OG-OE1 2.98Å
296L79.8Confident74.7Confident13 Ų1395.4 Ų95.47%0.06850%0.501CS..SBendtrans-82.8132.8-178.1-67.2174.8000110.8L272 T288 K291 L293 E294 A298 L300 F301L272-L296 HydrophobicContact CD2-CD1 4.29Å; T288-L296 HydrophobicContact CG2-CD1 3.43Å; T288-L296 VanDerWaalsContact CG2-CD1 3.43Å; T288-L296 HydrophobicContact CG2-CD2 3.86Å; T288-L296 HydrophobicContact CG2-CG 4.31Å; K291-L296 HydrophobicContact CB-CD2 4.2Å; K291-L296 HydrophobicContact CD-CD2 4Å; L293-L296 HydrophobicContact CD2-CD1 4.36Å; E294-L296 VanDerWaalsContact C-N 3.3Å; L296-A298 PolarHBondContact O-N 3.32Å; L296-L300 HydrophobicContact CB-CD1 4.2Å; L296-L300 HydrophobicContact CD2-CD1 4.15Å; L296-F301 HydrophobicContact CB-CE2 3.71Å; L296-F301 HydrophobicContact CB-CZ 4.01Å; L296-F301 HydrophobicContact CD1-CZ 4.06Å
297P81Confident71.6Confident69 Ų6997.9 Ų97.945%0.44853%0.529SS..  trans-61.9138179.326.1-35000111D299 L300P297-D299 WeakPolarHBondContact CB-OD1 3.49Å; P297-D299 PolarHBondContact O-N 3.2Å; P297-L300 HydrophobicContact CG-CD1 3.65Å; P297-L300 HydrophobicContact CG-CG 4.11Å; P297-L300 WeakPolarHBondContact O-CB 3.3Å; P297-L300 PolarHBondContact O-N 3.08Å
298A80.3Confident69Low81 Ų81102.3 Ų102.367%0.66955%0.552SS**G310 helixtrans-61.1-20.1-168.700000114L296 L300 F301L296-A298 PolarHBondContact O-N 3.32Å; A298-L300 VanDerWaalsContact C-N 3.26Å; A298-L300 PolarHBondContact O-N 3.28Å; A298-F301 PolarHBondContact O-N 3.1Å
299D81.7Confident66.3Low103 Ų103112.2 Ų112.255%0.55159%0.594SS**G310 helixtrans-69.1-21.2176.968.8-44.5000113.2K273 P297 F301K273-D299 WeakPolarHBondContact CD-O 3.47Å; K273-D299 WeakPolarHBondContact CE-O 3.47Å; K273-D299 PolarHBondContact NZ-O 2.62Å; P297-D299 WeakPolarHBondContact CB-OD1 3.49Å; P297-D299 PolarHBondContact O-N 3.2Å; D299-F301 VanDerWaalsContact C-N 3.31Å
300L80.2Confident63.5Low26 Ų26111.9 Ų111.914%0.13661%0.611CS.*G310 helixtrans-72.5-25.9175.1-68169.3000112.8L272 K273 R284 L296 P297 A298L272-L300 HydrophobicContact CD2-CB 3.77Å; K273-L300 PolarHBondContact N-O 3.25Å; R284-L300 HydrophobicContact CG-CD2 3.69Å; L296-L300 HydrophobicContact CB-CD1 4.2Å; L296-L300 HydrophobicContact CD2-CD1 4.15Å; P297-L300 HydrophobicContact CG-CD1 3.65Å; P297-L300 HydrophobicContact CG-CG 4.11Å; P297-L300 WeakPolarHBondContact O-CB 3.3Å; P297-L300 PolarHBondContact O-N 3.08Å; A298-L300 VanDerWaalsContact C-N 3.26Å; A298-L300 PolarHBondContact O-N 3.28Å
301F82.3Confident61.1Low53 Ų53117.8 Ų117.823%0.23261%0.613CS.*BIsolated β-bridgetrans-84.4154179.6-64.7-83000111.4L272 K273 L293 L296 A298 D299 T303L272-F301 HydrophobicContact CD2-CD1 4.21Å; L272-F301 HydrophobicContact CD2-CE1 4.01Å; L272-F301 HydrophobicContact CD2-CZ 4.24Å; K273-F301 WeakPolarHBondContact CE-O 3.45Å; L293-F301 HydrophobicContact CD2-CE1 3.78Å; L293-F301 HydrophobicContact CD2-CZ 3.89Å; L293-F301 WeakPolarHBondContact O-CZ 3.46Å; L296-F301 HydrophobicContact CB-CE2 3.71Å; L296-F301 HydrophobicContact CB-CZ 4.01Å; L296-F301 HydrophobicContact CD1-CZ 4.06Å; A298-F301 PolarHBondContact O-N 3.1Å; D299-F301 VanDerWaalsContact C-N 3.31Å; F301-T303 PolarHBondContact O-N 3.01Å
302V74.9Confident58.6Low101 Ų101117.1 Ų117.161%0.61263%0.628SS**  trans-64.9105.5177.8-1780000109.3K273 K304K273-V302 HydrophobicContact CG-CG2 4.12Å; V302-K304 PolarHBondContact O-N 3.08Å
303T58.1Low56.6Low89 Ų89122.9 Ų122.955%0.54665%0.647SS.*  trans-68124.1176.946.80000110F301 Q305F301-T303 PolarHBondContact O-N 3.01Å; T303-Q305 PolarHBondContact O-N 2.87Å
304K50.5Low54.6Low210 Ų210123.7 Ų123.791%0.91366%0.656SS**SBendtrans-68.556.5178.7-67.6-179.9176.81740113.3V302V302-K304 PolarHBondContact O-N 3.08Å
305Q35.3Very low52.6Low177 Ų177118.1 Ų118.183%0.82764%0.642SS**  trans-151.388.8167.8-77.7-155.2-36.900111.4T303T303-Q305 PolarHBondContact O-N 2.87Å
306R33.8Very low50.5Low243 Ų243116.7 Ų116.792%0.91765%0.651SS**  trans-169.2125.6133.7-105.5169.3-176.4-168.20.8109T308R306-T308 PolarHBondContact O-N 3.31Å
307S27.5Very low48.3Very low119 Ų119124.7 Ų124.783%0.83268%0.68SS**  trans-58.7116.3-178.656.40000111.9
308T33.3Very low46.4Very low133 Ų133124.6 Ų124.682%0.81669%0.691SS**  trans-143.2126.7145.927.50000107.1R306 G310R306-T308 PolarHBondContact O-N 3.31Å; T308-G310 PolarHBondContact O-N 3.37Å
309K28.9Very low44.6Very low222 Ų222128.9 Ų128.997%0.96570%0.697SS**SBendtrans-51.8127-178.4-73.2170.1171.8175.10110.7
310G28.9Very low43.3Very low67 Ų67127.3 Ų127.369%0.69169%0.691SS**  trans117.9136.9171.300000111.9T308T308-G310 PolarHBondContact O-N 3.37Å
311F29.7Very low42.1Very low209 Ų209129.8 Ų129.892%0.91771%0.709SS**  trans81.780.3173.8-111.1-94.3000117.6
312A30.9Very low41.4Very low95 Ų95132.7 Ų132.779%0.78573%0.733SS**  trans-15781.4151.800000110.6
313K34.9Very low41.1Very low169 Ų169130.7 Ų130.774%0.73573%0.727SS**  trans-146.158.7155.2-78.3-161.8179.8176.10110.7L324K313-L324 HydrophobicContact CD-CD2 4.45Å
314T36.4Very low41.6Very low111 Ų111128.9 Ų128.968%0.68171%0.714SS**  trans-10969.9150.946.40000106.7A316T314-A316 PolarHBondContact O-N 3.3Å
315A35.5Very low42.8Very low69 Ų69121.7 Ų121.757%0.5769%0.69SS**  trans-74.5107.2164.600000106.4W317A315-W317 PolarHBondContact O-N 3.26Å
316A37Very low45.1Very low91 Ų91119.4 Ų119.475%0.75268%0.679SS**  trans-48.2138.8163.700000109.6T314 G318T314-A316 PolarHBondContact O-N 3.3Å; A316-G318 PolarHBondContact O-N 3.37Å; A316-G318 VanDerWaalsContact O-N 3.08Å
317W32.8Very low47.5Very low182 Ų182114 Ų11469%0.68966%0.662SS**THydrogen-bonded Turntrans-45.5107.3-176.1-131.278000111.4R231 A315R231-W317 HydrophobicContact CG-CH2 4.4Å; R231-W317 HydrophobicContact CG-CZ2 3.77Å; A315-W317 PolarHBondContact O-N 3.26Å
318G41Very low50.3Low66 Ų66110.5 Ų110.568%0.6863%0.634SS**THydrogen-bonded Turntrans153.6-22.2178.200000115.9A316A316-G318 PolarHBondContact O-N 3.37Å; A316-G318 VanDerWaalsContact O-N 3.08Å
319H42.6Very low53Low171 Ų171107 Ų10779%0.79261%0.607SS**  trans-138.353.5-178.1-95.6-74.3000113.2P321H319-P321 WeakPolarHBondContact O-CD 3.45Å
320V54.4Low56.1Low71 Ų71100.2 Ų100.243%0.4358%0.58SS.*  trans-75.7124163.2-177.80000107.1L324V320-L324 HydrophobicContact CG1-CB 3.84Å; V320-L324 HydrophobicContact CG1-CD2 3.99Å; V320-L324 HydrophobicContact CG1-CG 3.95Å
321P56.2Low59.1Low78 Ų7897.6 Ų97.651%0.50655%0.549SS..  trans-53.2138.4175.3-25.934.1000110.4H319 A323 L324 S325H319-P321 WeakPolarHBondContact O-CD 3.45Å; P321-A323 PolarHBondContact O-N 3.48Å; P321-A323 VanDerWaalsContact O-N 3.12Å; P321-L324 HydrophobicContact CB-CB 4.48Å; P321-L324 WeakPolarHBondContact O-CA 3.41Å; P321-L324 WeakPolarHBondContact O-CB 3.34Å; P321-L324 PolarHBondContact O-N 3.04Å; P321-S325 PolarHBondContact O-N 3.47Å; P321-S325 VanDerWaalsContact O-N 3.09Å
322P66.4Low62.1Low113 Ų11387.6 Ų87.673%0.73451%0.506SS*.Hα-helixtrans-50.5-43.9-175.2-27.432.7000113L324 S325 E326P322-L324 VanDerWaalsContact C-N 3.3Å; P322-L324 PolarHBondContact O-N 3.27Å; P322-S325 WeakPolarHBondContact O-CB 3.38Å; P322-S325 PolarHBondContact O-N 3.17Å; P322-S325 VanDerWaalsContact O-N 3.07Å; P322-E326 PolarHBondContact O-N 3.37Å
323A68Low65.2Low60 Ų6084.9 Ų84.950%0.49648%0.479SS..Hα-helixtrans-63.2-29.7177.800000114.2P321 K327P321-A323 PolarHBondContact O-N 3.48Å; P321-A323 VanDerWaalsContact O-N 3.12Å; A323-K327 VanDerWaalsContact O-CG 3.31Å; A323-K327 WeakPolarHBondContact O-CG 3.44Å; A323-K327 PolarHBondContact O-N 2.9Å
324L68.9Low68.1Low51 Ų5177.8 Ų77.827%0.26745%0.449SS..Hα-helixtrans-77.2-36.7174-175.462.5000110.4K313 V320 P321 P322 E326 L328K313-L324 HydrophobicContact CD-CD2 4.45Å; V320-L324 HydrophobicContact CG1-CB 3.84Å; V320-L324 HydrophobicContact CG1-CD2 3.99Å; V320-L324 HydrophobicContact CG1-CG 3.95Å; P321-L324 HydrophobicContact CB-CB 4.48Å; P321-L324 WeakPolarHBondContact O-CA 3.41Å; P321-L324 WeakPolarHBondContact O-CB 3.34Å; P321-L324 PolarHBondContact O-N 3.04Å; P322-L324 VanDerWaalsContact C-N 3.3Å; P322-L324 PolarHBondContact O-N 3.27Å; L324-E326 VanDerWaalsContact C-N 3.33Å; L324-L328 HydrophobicContact CD1-CG 4.48Å; L324-L328 HydrophobicContact CG-CD1 4.21Å; L324-L328 WeakPolarHBondContact O-CB 3.42Å; L324-L328 WeakPolarHBondContact O-CG 3.47Å; L324-L328 PolarHBondContact O-N 3.13Å
325S76.2Confident70.9Confident58 Ų5872.5 Ų72.541%0.40642%0.417SS..Hα-helixtrans-62.3-41.6174.4-169.50000111.7P321 P322 L328 K329P321-S325 PolarHBondContact O-N 3.47Å; P321-S325 VanDerWaalsContact O-N 3.09Å; P322-S325 WeakPolarHBondContact O-CB 3.38Å; P322-S325 PolarHBondContact O-N 3.17Å; P322-S325 VanDerWaalsContact O-N 3.07Å; S325-L328 PolarHBondContact O-N 3.11Å; S325-K329 WeakPolarHBondContact O-CB 3.37Å; S325-K329 PolarHBondContact O-N 3.17Å
326E83.8Confident73.8Confident129 Ų12969.7 Ų69.760%0.60339%0.393SS*.Hα-helixtrans-65.8-47.9178.2-169169.2-156.100111.6P322 L324 L328 K329 E330P322-E326 PolarHBondContact O-N 3.37Å; L324-E326 VanDerWaalsContact C-N 3.33Å; E326-L328 VanDerWaalsContact C-N 3.3Å; E326-L328 PolarHBondContact O-N 3.14Å; E326-K329 WeakPolarHBondContact O-CA 3.48Å; E326-K329 WeakPolarHBondContact O-CB 3.37Å; E326-K329 PolarHBondContact O-N 2.95Å; E326-E330 PolarHBondContact O-N 3.41Å
327K85.2Confident76.7Confident130 Ų13068.3 Ų68.357%0.56537%0.369SS*.Hα-helixtrans-58.8-38.1174.5-74.9-179.8-179.2-171.50113.6A323 I331A323-K327 VanDerWaalsContact O-CG 3.31Å; A323-K327 WeakPolarHBondContact O-CG 3.44Å; A323-K327 PolarHBondContact O-N 2.9Å; K327-I331 WeakPolarHBondContact O-CG1 3.5Å; K327-I331 PolarHBondContact O-N 3.45Å
328L85.7Confident79.7Confident45 Ų4559.7 Ų59.724%0.23634%0.336CS..Hα-helixtrans-70.7-37.2176.4-68.8173.6000111.2W229 L324 S325 E326 I331 A332W229-L328 HydrophobicContact CH2-CB 4.06Å; W229-L328 HydrophobicContact CH2-CD2 3.73Å; W229-L328 HydrophobicContact CH2-CG 4.43Å; W229-L328 HydrophobicContact CZ3-CB 3.78Å; W229-L328 HydrophobicContact CZ3-CD1 4.39Å; W229-L328 HydrophobicContact CZ3-CD2 3.77Å; W229-L328 HydrophobicContact CZ3-CG 4.15Å; L324-L328 HydrophobicContact CD1-CG 4.48Å; L324-L328 HydrophobicContact CG-CD1 4.21Å; L324-L328 WeakPolarHBondContact O-CB 3.42Å; L324-L328 WeakPolarHBondContact O-CG 3.47Å; L324-L328 PolarHBondContact O-N 3.13Å; S325-L328 PolarHBondContact O-N 3.11Å; E326-L328 VanDerWaalsContact C-N 3.3Å; E326-L328 PolarHBondContact O-N 3.14Å; L328-I331 PolarHBondContact O-N 2.9Å; L328-A332 PolarHBondContact O-N 3.47Å
329K90.2Very high82.3Confident59 Ų5958.4 Ų58.426%0.25731%0.311SS..Hα-helixtrans-62.7-44173.6-167.8179.9-178.4-174.50111F217 E218 W221 S325 E326 I331 A332 T333F217-K329 HydrophobicContact CE1-CG 4.3Å; F217-K329 HydrophobicContact CZ-CG 4.13Å; E218-K329 WeakPolarHBondContact OE1-CE 3.39Å; E218-K329 IonicContact OE1-NZ 2.81Å; E218-K329 PolarHBondContact OE1-NZ 3.05Å; E218-K329 IonicContact OE2-NZ 2.68Å; E218-K329 PolarHBondContact OE2-NZ 2.87Å; W221-K329 HydrophobicContact CZ2-CB 4.02Å; W221-K329 HydrophobicContact CZ2-CG 4.14Å; S325-K329 WeakPolarHBondContact O-CB 3.37Å; S325-K329 PolarHBondContact O-N 3.17Å; E326-K329 WeakPolarHBondContact O-CA 3.48Å; E326-K329 WeakPolarHBondContact O-CB 3.37Å; E326-K329 PolarHBondContact O-N 2.95Å; K329-I331 VanDerWaalsContact C-N 3.34Å; K329-I331 PolarHBondContact O-N 2.94Å; K329-A332 CarbonylContact O-C 3.58Å; K329-A332 PolarHBondContact O-N 3.46Å; K329-A332 VanDerWaalsContact O-N 3.13Å; K329-T333 PolarHBondContact O-N 3.36Å; K329-T333 PolarHBondContact O-OG1 3.38Å
330E92.7Very high84.9Confident81 Ų8153.5 Ų53.538%0.37929%0.286SS..Hα-helixtrans-54.6-46.8175.4-72173.5-16200112.4K183 E326 T333 L334K183-E330 IonicContact NZ-OE2 3.2Å; K183-E330 PolarHBondContact NZ-OE2 3.4Å; E326-E330 PolarHBondContact O-N 3.41Å; E330-T333 WeakPolarHBondContact O-CB 3.24Å; E330-T333 PolarHBondContact O-N 2.9Å; E330-L334 WeakPolarHBondContact O-CG 3.39Å; E330-L334 PolarHBondContact O-N 3.15Å; E330-L334 VanDerWaalsContact O-N 3.1Å
331I93Very high86.9Confident11 Ų1150.4 Ų50.46%0.05627%0.266CS..Hα-helixtrans-62.9-45.1177.6-65.4173.3000110.2K178 Y182 K183 L186 W229 K327 L328 K329 T333 L334 E335K178-I331 HydrophobicContact CD-CG2 4.4Å; K178-I331 WeakPolarHBondContact O-CD1 3.46Å; Y182-I331 HydrophobicContact CD1-CG2 4.11Å; Y182-I331 HydrophobicContact CE1-CG2 3.88Å; K183-I331 HydrophobicContact CB-CG1 4.33Å; K183-I331 HydrophobicContact CD-CG1 4.36Å; K183-I331 HydrophobicContact CG-CG1 4.37Å; L186-I331 HydrophobicContact CD1-CG2 3.93Å; W229-I331 HydrophobicContact CH2-CG2 4.5Å; W229-I331 HydrophobicContact CZ2-CB 4.35Å; W229-I331 HydrophobicContact CZ2-CG2 3.96Å; K327-I331 WeakPolarHBondContact O-CG1 3.5Å; K327-I331 PolarHBondContact O-N 3.45Å; L328-I331 PolarHBondContact O-N 2.9Å; K329-I331 VanDerWaalsContact C-N 3.34Å; K329-I331 PolarHBondContact O-N 2.94Å; I331-T333 VanDerWaalsContact C-N 3.29Å; I331-T333 PolarHBondContact O-N 3.4Å; I331-L334 WeakPolarHBondContact O-CB 3.37Å; I331-L334 PolarHBondContact O-N 2.91Å; I331-E335 WeakPolarHBondContact O-CG 3.42Å; I331-E335 PolarHBondContact O-N 3.38Å
332A93.2Very high88.8Confident0 Ų046.9 Ų46.90%024%0.244CC..Hα-helixtrans-63.5-34.2178.100000112.6F217 W221 F226 W229 L328 K329 E335 A336F217-A332 HydrophobicContact CE2-CB 3.74Å; F217-A332 HydrophobicContact CZ-CB 3.92Å; W221-A332 HydrophobicContact CE3-CB 4.03Å; W221-A332 HydrophobicContact CH2-CB 3.96Å; W221-A332 HydrophobicContact CZ3-CB 3.39Å; F226-A332 HydrophobicContact CD1-CB 4.16Å; F226-A332 HydrophobicContact CE1-CB 3.9Å; F226-A332 WeakPolarHBondContact CZ-O 3.46Å; W229-A332 HydrophobicContact CD2-CB 4.22Å; W229-A332 HydrophobicContact CG-CB 4.38Å; W229-A332 HydrophobicContact CZ2-CB 4.2Å; L328-A332 PolarHBondContact O-N 3.47Å; K329-A332 CarbonylContact O-C 3.58Å; K329-A332 PolarHBondContact O-N 3.46Å; K329-A332 VanDerWaalsContact O-N 3.13Å; A332-E335 PolarHBondContact O-N 3.14Å; A332-A336 PolarHBondContact O-N 2.97Å
333T95.2Very high90.1Very high37 Ų3746.4 Ų46.423%0.22723%0.232CC..Hα-helixtrans-63.8-41.3173.1-580000111.8L214 F217 K329 E330 I331 A336 R337L214-T333 HydrophobicContact CD2-CG2 3.45Å; L214-T333 VanDerWaalsContact CD2-CG2 3.45Å; F217-T333 VanDerWaalsContact CE1-OG1 3.28Å; F217-T333 WeakPolarHBondContact CE1-OG1 3.42Å; K329-T333 PolarHBondContact O-N 3.36Å; K329-T333 PolarHBondContact O-OG1 3.38Å; E330-T333 WeakPolarHBondContact O-CB 3.24Å; E330-T333 PolarHBondContact O-N 2.9Å; I331-T333 VanDerWaalsContact C-N 3.29Å; I331-T333 PolarHBondContact O-N 3.4Å; T333-A336 PolarHBondContact O-N 3.41Å; T333-R337 PolarHBondContact O-N 3.49Å
334L96Very high91.4Very high21 Ų2144.4 Ų44.411%0.1121%0.212CC..Hα-helixtrans-62.8-44.5173.9-65.8172.6000111.2K183 L186 E187 L190 E330 I331 A336 R337 I338K183-L334 HydrophobicContact CG-CD1 4.06Å; L186-L334 HydrophobicContact CB-CB 4.37Å; L186-L334 HydrophobicContact CB-CD1 4.28Å; L186-L334 HydrophobicContact CD1-CB 4.22Å; E187-L334 HydrophobicContact CG-CD1 3.92Å; L190-L334 HydrophobicContact CD2-CD2 3.47Å; L190-L334 VanDerWaalsContact CD2-CD2 3.47Å; E330-L334 WeakPolarHBondContact O-CG 3.39Å; E330-L334 PolarHBondContact O-N 3.15Å; E330-L334 VanDerWaalsContact O-N 3.1Å; I331-L334 WeakPolarHBondContact O-CB 3.37Å; I331-L334 PolarHBondContact O-N 2.91Å; L334-A336 VanDerWaalsContact C-N 3.31Å; L334-A336 PolarHBondContact O-N 3.49Å; L334-R337 PolarHBondContact O-N 2.99Å; L334-I338 WeakPolarHBondContact O-CG1 3.33Å; L334-I338 PolarHBondContact O-N 3.41Å
335E95.6Very high92.7Very high0 Ų042 Ų420%020%0.2CC..Hα-helixtrans-59.2-42.2176.6-68.3175.6-163.100111.8L170 K178 Y182 L186 F226 W229 I331 A332 R337 I338 Y339L170-E335 HydrophobicContact CB-CG 4.21Å; L170-E335 HydrophobicContact CD1-CB 4.13Å; L170-E335 HydrophobicContact CD1-CG 3.84Å; K178-E335 WeakPolarHBondContact CD-OE1 3.43Å; K178-E335 VanDerWaalsContact CE-OE1 3.23Å; K178-E335 WeakPolarHBondContact CE-OE1 3.5Å; K178-E335 IonicContact NZ-OE1 2.85Å; K178-E335 PolarHBondContact NZ-OE1 2.97Å; K178-E335 IonicContact NZ-OE2 3Å; K178-E335 PolarHBondContact NZ-OE2 3.25Å; Y182-E335 WeakPolarHBondContact CE1-OE1 3.4Å; Y182-E335 PolarHBondContact OH-OE1 3.31Å; L186-E335 HydrophobicContact CD1-CG 3.78Å; F226-E335 HydrophobicContact CE1-CB 4.42Å; F226-E335 HydrophobicContact CZ-CB 4.35Å; W229-E335 PolarHBondContact NE1-OE2 2.97Å; I331-E335 WeakPolarHBondContact O-CG 3.42Å; I331-E335 PolarHBondContact O-N 3.38Å; A332-E335 PolarHBondContact O-N 3.14Å; E335-R337 PolarHBondContact O-N 3.16Å; E335-I338 PolarHBondContact O-N 3Å; E335-Y339 HydrophobicContact CB-CE2 4.25Å; E335-Y339 VanDerWaalsContact O-CD2 3.31Å; E335-Y339 WeakPolarHBondContact O-CD2 3.36Å; E335-Y339 PolarHBondContact O-N 3.43Å
336A96Very high93.6Very high9 Ų944.2 Ų44.27%0.07420%0.202CC..Hα-helixtrans-60.7-42.217800000112.8F217 F226 A332 T333 L334 Y339 R340F217-A336 HydrophobicContact CB-CB 3.79Å; F217-A336 HydrophobicContact CD2-CB 3.73Å; F217-A336 HydrophobicContact CG-CB 3.9Å; F226-A336 HydrophobicContact CE2-CB 3.89Å; F226-A336 HydrophobicContact CZ-CB 3.83Å; A332-A336 PolarHBondContact O-N 2.97Å; T333-A336 PolarHBondContact O-N 3.41Å; L334-A336 VanDerWaalsContact C-N 3.31Å; L334-A336 PolarHBondContact O-N 3.49Å; A336-Y339 PolarHBondContact O-N 3.28Å; A336-R340 PolarHBondContact O-N 3Å
337R96.8Very high94.2Very high63 Ų6345.5 Ų45.524%0.23821%0.208CC..Hα-helixtrans-65.6-43.7175.4-71.2170.768.2-170.56111.3L190 E194 T210 L214 T333 L334 E335 Y339 R340 L341L190-R337 HydrophobicContact CD1-CB 3.74Å; L190-R337 HydrophobicContact CD2-CB 4.34Å; E194-R337 IonicContact OE1-CZ 2.87Å; E194-R337 VanDerWaalsContact OE1-CZ 3.3Å; E194-R337 IonicContact OE1-NE 3.53Å; E194-R337 PolarHBondContact OE1-NE 3.42Å; E194-R337 IonicContact OE1-NH2 3.1Å; E194-R337 PolarHBondContact OE1-NH2 2.73Å; E194-R337 IonicContact OE2-NH2 3.39Å; E194-R337 PolarHBondContact OE2-NH2 3.37Å; E194-R337 VanDerWaalsContact OE2-NH2 3.15Å; T210-R337 HydrophobicContact CG2-CG 4.42Å; L214-R337 HydrophobicContact CD2-CG 4.37Å; T333-R337 PolarHBondContact O-N 3.49Å; L334-R337 PolarHBondContact O-N 2.99Å; E335-R337 PolarHBondContact O-N 3.16Å; R337-Y339 VanDerWaalsContact C-N 3.32Å; R337-Y339 PolarHBondContact O-N 2.98Å; R337-R340 PolarHBondContact O-N 3.07Å; R337-R340 VanDerWaalsContact O-N 3.17Å; R337-L341 WeakPolarHBondContact O-CG 3.33Å; R337-L341 PolarHBondContact O-N 3.47Å
338I97.1Very high94.7Very high0 Ų040.7 Ų40.70%019%0.188CC..Hα-helixtrans-61.5-41.1176.8-67.9163.1000111L170 L186 L189 L190 L193 L334 E335 R340 L341 S342L170-I338 HydrophobicContact CD1-CB 4.11Å; L170-I338 HydrophobicContact CD1-CD1 4.07Å; L170-I338 HydrophobicContact CD1-CG2 3.87Å; L186-I338 HydrophobicContact CB-CD1 4Å; L186-I338 HydrophobicContact CD2-CD1 3.62Å; L186-I338 HydrophobicContact CG-CD1 4.31Å; L189-I338 HydrophobicContact CD2-CD1 4.14Å; L189-I338 HydrophobicContact CD2-CG2 3.97Å; L189-I338 HydrophobicContact CG-CD1 4.38Å; L189-I338 HydrophobicContact CG-CG2 4.48Å; L190-I338 HydrophobicContact CB-CD1 4.32Å; L190-I338 HydrophobicContact CB-CG1 4.04Å; L190-I338 HydrophobicContact CD1-CG1 4.07Å; L193-I338 HydrophobicContact CD1-CG2 4.26Å; L334-I338 WeakPolarHBondContact O-CG1 3.33Å; L334-I338 PolarHBondContact O-N 3.41Å; E335-I338 PolarHBondContact O-N 3Å; I338-R340 VanDerWaalsContact C-N 3.32Å; I338-R340 PolarHBondContact O-N 3.08Å; I338-L341 PolarHBondContact O-N 3.3Å; I338-S342 VanDerWaalsContact O-CB 3.27Å; I338-S342 WeakPolarHBondContact O-CB 3.16Å; I338-S342 PolarHBondContact O-N 2.93Å; I338-S342 PolarHBondContact O-OG 3.22Å
339Y96.1Very high95.1Very high39 Ų3940 Ų4015%0.15318%0.182CC..Hα-helixtrans-58.6-43.9175.4-63.2-31.5000111.8D168 L170 Y171 F226 E335 A336 R337 S342 E343D168-Y339 WeakPolarHBondContact O-CD1 3.19Å; D168-Y339 WeakPolarHBondContact O-CE1 3.2Å; L170-Y339 HydrophobicContact CB-CE1 3.85Å; L170-Y339 HydrophobicContact CD1-CE1 4.1Å; L170-Y339 HydrophobicContact CG-CE1 4.09Å; Y171-Y339 HydrophobicContact CD1-CE1 4.48Å; Y171-Y339 PolarHBondContact N-OH 3.25Å; F226-Y339 HydrophobicContact CE1-CE2 4.42Å; F226-Y339 HydrophobicContact CE2-CD2 4.36Å; F226-Y339 HydrophobicContact CE2-CE2 4.23Å; F226-Y339 HydrophobicContact CZ-CD2 4.12Å; F226-Y339 AromaticContact CZ-CE2 3.72Å; F226-Y339 HydrophobicContact CZ-CE2 3.72Å; E335-Y339 HydrophobicContact CB-CE2 4.25Å; E335-Y339 VanDerWaalsContact O-CD2 3.31Å; E335-Y339 WeakPolarHBondContact O-CD2 3.36Å; E335-Y339 PolarHBondContact O-N 3.43Å; A336-Y339 PolarHBondContact O-N 3.28Å; R337-Y339 VanDerWaalsContact C-N 3.32Å; R337-Y339 PolarHBondContact O-N 2.98Å; Y339-S342 WeakPolarHBondContact O-CB 3.19Å; Y339-S342 PolarHBondContact O-N 2.55Å; Y339-E343 PolarHBondContact O-N 3.36Å
340R96.3Very high95.3Very high69 Ų6942 Ų4226%0.2619%0.192SC..Hα-helixtrans-64.7-47177.7-177.455.6176.9163.60.3112.2E209 A213 A336 R337 I338 S342 E343 L344E209-R340 IonicContact OE1-CZ 2.81Å; E209-R340 IonicContact OE1-NE 2.73Å; E209-R340 IonicContact OE1-NH2 3.72Å; E209-R340 PolarHBondContact OE1-NH2 3.19Å; E209-R340 IonicContact OE2-CZ 2.76Å; E209-R340 IonicContact OE2-NE 2.76Å; E209-R340 PolarHBondContact OE2-NE 2.85Å; E209-R340 IonicContact OE2-NH2 3.82Å; E209-R340 PolarHBondContact OE2-NH2 3.02Å; A213-R340 HydrophobicContact CB-CB 3.76Å; A213-R340 HydrophobicContact CB-CG 4.04Å; A336-R340 PolarHBondContact O-N 3Å; R337-R340 PolarHBondContact O-N 3.07Å; R337-R340 VanDerWaalsContact O-N 3.17Å; I338-R340 VanDerWaalsContact C-N 3.32Å; I338-R340 PolarHBondContact O-N 3.08Å; R340-S342 VanDerWaalsContact C-N 3.27Å; R340-S342 PolarHBondContact O-N 3.12Å; R340-E343 IonicContact CZ-OE2 3.51Å; R340-E343 IonicContact NH1-OE2 2.81Å; R340-E343 PolarHBondContact NH1-OE2 3.18Å; R340-E343 WeakPolarHBondContact O-CB 3.17Å; R340-E343 PolarHBondContact O-N 2.84Å; R340-L344 PolarHBondContact O-N 3.48Å
341L96.7Very high95.5Very high5 Ų539.7 Ų39.73%0.02619%0.187CC..Hα-helixtrans-63.5-35.4177.3-66.1171.4000111.8L190 L193 E194 V197 L206 R337 I338 E343 L344 V345L190-L341 HydrophobicContact CD1-CD1 3.42Å; L190-L341 VanDerWaalsContact CD1-CD1 3.42Å; L193-L341 HydrophobicContact CB-CB 4.15Å; L193-L341 HydrophobicContact CB-CD1 3.81Å; L193-L341 HydrophobicContact CD1-CB 4.19Å; E194-L341 HydrophobicContact CG-CD1 3.47Å; E194-L341 VanDerWaalsContact CG-CD1 3.47Å; E194-L341 HydrophobicContact CG-CD2 4.41Å; V197-L341 HydrophobicContact CG2-CD2 4.31Å; L206-L341 HydrophobicContact CD2-CD2 3.92Å; R337-L341 WeakPolarHBondContact O-CG 3.33Å; R337-L341 PolarHBondContact O-N 3.47Å; I338-L341 PolarHBondContact O-N 3.3Å; L341-E343 VanDerWaalsContact C-N 3.28Å; L341-E343 PolarHBondContact O-N 2.95Å; L341-L344 HydrophobicContact CD2-CD1 4.29Å; L341-L344 WeakPolarHBondContact O-CB 3.49Å; L341-L344 PolarHBondContact O-N 2.97Å; L341-V345 WeakPolarHBondContact O-CG2 3.49Å; L341-V345 PolarHBondContact O-N 2.8Å
342S95.6Very high95.6Very high4 Ų439.3 Ų39.33%0.02819%0.185CC..Hα-helixtrans-62.3-34.4176.3-58.30000112.4F167 D168 I338 Y339 R340 K346F167-S342 WeakPolarHBondContact CE2-OG 3.1Å; D168-S342 WeakPolarHBondContact CB-OG 3.33Å; I338-S342 VanDerWaalsContact O-CB 3.27Å; I338-S342 WeakPolarHBondContact O-CB 3.16Å; I338-S342 PolarHBondContact O-N 2.93Å; I338-S342 PolarHBondContact O-OG 3.22Å; Y339-S342 WeakPolarHBondContact O-CB 3.19Å; Y339-S342 PolarHBondContact O-N 2.55Å; R340-S342 VanDerWaalsContact C-N 3.27Å; R340-S342 PolarHBondContact O-N 3.12Å; S342-K346 PolarHBondContact O-N 2.96Å
343E95.1Very high95.6Very high104 Ų10440.8 Ų40.849%0.48619%0.193SC..Hα-helixtrans-65.6-43.4170.8-66.5172.4173.500111Y339 R340 L341 V345 K346Y339-E343 PolarHBondContact O-N 3.36Å; R340-E343 IonicContact CZ-OE2 3.51Å; R340-E343 IonicContact NH1-OE2 2.81Å; R340-E343 PolarHBondContact NH1-OE2 3.18Å; R340-E343 WeakPolarHBondContact O-CB 3.17Å; R340-E343 PolarHBondContact O-N 2.84Å; L341-E343 VanDerWaalsContact C-N 3.28Å; L341-E343 PolarHBondContact O-N 2.95Å; E343-V345 VanDerWaalsContact C-N 3.34Å; E343-V345 PolarHBondContact O-N 3.18Å; E343-K346 WeakPolarHBondContact O-CB 3.15Å; E343-K346 PolarHBondContact O-N 3.34Å
344L95.2Very high95.5Very high17 Ų1744.2 Ų44.29%0.08921%0.206CC..Hα-helixtrans-67.1-32.3179.8-66.2177.8000113.3V197 R201 V204 L206 E209 R340 L341V197-L344 HydrophobicContact CG1-CD1 4.32Å; R201-L344 PolarHBondContact NH1-O 2.98Å; V204-L344 HydrophobicContact CG1-CD1 4.21Å; L206-L344 HydrophobicContact CD2-CD1 4.5Å; E209-L344 HydrophobicContact CG-CD1 4.21Å; R340-L344 PolarHBondContact O-N 3.48Å; L341-L344 HydrophobicContact CD2-CD1 4.29Å; L341-L344 WeakPolarHBondContact O-CB 3.49Å; L341-L344 PolarHBondContact O-N 2.97Å
345V96.1Very high95.2Very high0 Ų043.7 Ų43.70%020%0.204CC..THydrogen-bonded Turntrans-96.310.6179.6-560000114.4L140 F167 L193 F196 V197 L341 E343 E347 H348 R349L140-V345 HydrophobicContact CD1-CB 4.35Å; L140-V345 HydrophobicContact CD1-CG2 4.13Å; L140-V345 HydrophobicContact CD2-CB 4.42Å; L140-V345 HydrophobicContact CD2-CG1 4.49Å; F167-V345 HydrophobicContact CZ-CG2 4.26Å; L193-V345 HydrophobicContact CD2-CG1 4.43Å; L193-V345 HydrophobicContact CD2-CG2 4.02Å; F196-V345 HydrophobicContact CD1-CG1 4.15Å; F196-V345 HydrophobicContact CE1-CG1 4.48Å; V197-V345 HydrophobicContact CG2-CG1 3.32Å; L341-V345 WeakPolarHBondContact O-CG2 3.49Å; L341-V345 PolarHBondContact O-N 2.8Å; E343-V345 VanDerWaalsContact C-N 3.34Å; E343-V345 PolarHBondContact O-N 3.18Å; V345-E347 VanDerWaalsContact C-N 3.32Å; V345-E347 PolarHBondContact O-N 3.27Å; V345-H348 PolarHBondContact O-N 3.15Å; V345-R349 WeakPolarHBondContact O-CB 3.23Å; V345-R349 PolarHBondContact O-N 3.08Å
346K95.2Very high94.9Very high106 Ų10644.7 Ų44.746%0.46121%0.209SC..Hα-helixtrans-55.2-45.2-173.9-176.7-175.3171.2-165.80113S342 E343 R349 E350S342-K346 PolarHBondContact O-N 2.96Å; E343-K346 WeakPolarHBondContact O-CB 3.15Å; E343-K346 PolarHBondContact O-N 3.34Å; K346-R349 WeakPolarHBondContact O-CB 3.33Å; K346-R349 PolarHBondContact O-N 3.04Å; K346-E350 WeakPolarHBondContact CE-OE1 3.23Å; K346-E350 WeakPolarHBondContact O-CG 3.29Å; K346-E350 PolarHBondContact O-N 3.29Å
347E94.7Very high94.6Very high156 Ų15648.9 Ų48.973%0.72923%0.227SC*.Hα-helixtrans-65.8-44.7179.8-63.8-178.9173.600111.4V345 R349 E350 A351V345-E347 VanDerWaalsContact C-N 3.32Å; V345-E347 PolarHBondContact O-N 3.27Å; E347-R349 VanDerWaalsContact C-N 3.29Å; E347-R349 PolarHBondContact O-N 2.9Å; E347-E350 PolarHBondContact O-N 3.26Å; E347-A351 PolarHBondContact O-N 3.28Å
348H95.5Very high94.1Very high28 Ų2850.1 Ų50.113%0.1323%0.232CC..Hα-helixtrans-61.7-37.8175.4-55.6-77.1000111.7G137 L140 F196 V345 A351 T352G137-H348 PolarHBondContact O-CE1 2.83Å; G137-H348 PolarHBondContact O-ND1 2.99Å; L140-H348 HydrophobicContact CD1-CB 4.47Å; L140-H348 HydrophobicContact CD2-CB 4.35Å; L140-H348 HydrophobicContact CG-CB 4.13Å; F196-H348 HydrophobicContact CE1-CB 4.19Å; F196-H348 AromaticContact CE1-CG 3.9Å; F196-H348 HydrophobicContact CZ-CB 4.41Å; V345-H348 PolarHBondContact O-N 3.15Å; H348-A351 PolarHBondContact O-N 2.94Å; H348-T352 WeakPolarHBondContact O-CB 3.38Å; H348-T352 PolarHBondContact O-N 3.18Å; H348-T352 PolarHBondContact O-OG1 3.19Å
349R95Very high93.5Very high32 Ų3252.3 Ų52.312%0.12124%0.241CC..Hα-helixtrans-62.4-47.6175-179.7-178.867.7-177.8-2.8111.5L140 I164 F167 D168 V345 K346 E347 T352 I353L140-R349 HydrophobicContact CD1-CB 4.06Å; I164-R349 HydrophobicContact CG2-CG 3.9Å; I164-R349 WeakPolarHBondContact O-CD 3.22Å; F167-R349 HydrophobicContact CE1-CG 4.06Å; D168-R349 IonicContact OD1-NH1 3.1Å; D168-R349 PolarHBondContact OD1-NH1 3.18Å; D168-R349 VanDerWaalsContact OD1-NH1 3.15Å; D168-R349 IonicContact OD2-CZ 3.98Å; D168-R349 IonicContact OD2-NH1 2.65Å; D168-R349 PolarHBondContact OD2-NH1 2.92Å; D168-R349 IonicContact OD2-NH2 3.15Å; V345-R349 WeakPolarHBondContact O-CB 3.23Å; V345-R349 PolarHBondContact O-N 3.08Å; K346-R349 WeakPolarHBondContact O-CB 3.33Å; K346-R349 PolarHBondContact O-N 3.04Å; E347-R349 VanDerWaalsContact C-N 3.29Å; E347-R349 PolarHBondContact O-N 2.9Å; R349-T352 WeakPolarHBondContact O-CB 3.48Å; R349-T352 PolarHBondContact O-N 2.75Å; R349-I353 HydrophobicContact CG-CD1 4.1Å; R349-I353 VanDerWaalsContact O-CG1 3.31Å; R349-I353 WeakPolarHBondContact O-CG1 3.46Å; R349-I353 PolarHBondContact O-N 3.43Å
350E95.4Very high92.7Very high99 Ų9956.1 Ų56.146%0.46326%0.26SS..Hα-helixtrans-61.4-45.3178-71.8170.5-172.500111.1K346 E347 T352 I353 E354K346-E350 WeakPolarHBondContact CE-OE1 3.23Å; K346-E350 WeakPolarHBondContact O-CG 3.29Å; K346-E350 PolarHBondContact O-N 3.29Å; E347-E350 PolarHBondContact O-N 3.26Å; E350-T352 VanDerWaalsContact C-N 3.3Å; E350-T352 PolarHBondContact O-N 3.38Å; E350-I353 PolarHBondContact O-N 3.24Å; E350-E354 PolarHBondContact O-N 3.13Å
351A95.1Very high91.8Very high33 Ų3356.8 Ų56.827%0.27328%0.28SS..Hα-helixtrans-60.2-39.1174.400000112.6Y139 E347 H348 E354 N355Y139-A351 HydrophobicContact CD1-CB 4.12Å; Y139-A351 HydrophobicContact CE1-CB 4.15Å; E347-A351 PolarHBondContact O-N 3.28Å; H348-A351 PolarHBondContact O-N 2.94Å; A351-E354 PolarHBondContact O-N 3.02Å; A351-N355 VanDerWaalsContact O-CB 3.31Å; A351-N355 WeakPolarHBondContact O-CB 3.42Å; A351-N355 PolarHBondContact O-N 3.02Å
352T94.9Very high90.5Very high4 Ų460 Ų603%0.02529%0.292CS..Hα-helixtrans-66-44176.9-530000111.3Y139 L140 I164 H348 R349 E350 E354 N355 V356Y139-T352 WeakPolarHBondContact CA-OG1 3.45Å; L140-T352 HydrophobicContact CB-CG2 4.47Å; L140-T352 PolarHBondContact N-OG1 3.48Å; L140-T352 WeakPolarHBondContact O-CG2 3.4Å; I164-T352 HydrophobicContact CD1-CG2 3.83Å; H348-T352 WeakPolarHBondContact O-CB 3.38Å; H348-T352 PolarHBondContact O-N 3.18Å; H348-T352 PolarHBondContact O-OG1 3.19Å; R349-T352 WeakPolarHBondContact O-CB 3.48Å; R349-T352 PolarHBondContact O-N 2.75Å; E350-T352 VanDerWaalsContact C-N 3.3Å; E350-T352 PolarHBondContact O-N 3.38Å; T352-E354 VanDerWaalsContact C-N 3.34Å; T352-E354 PolarHBondContact O-N 3.4Å; T352-N355 PolarHBondContact O-N 3.05Å; T352-V356 HydrophobicContact CG2-CG2 4.27Å; T352-V356 WeakPolarHBondContact O-CB 3.18Å; T352-V356 VanDerWaalsContact O-CG2 3.24Å; T352-V356 WeakPolarHBondContact O-CG2 3.24Å; T352-V356 PolarHBondContact O-N 3.23Å
353I93.8Very high88.6Confident30 Ų3065.3 Ų65.315%0.15432%0.318CS..Hα-helixtrans-58.8-48.1177-70.5167.7000110L161 I164 R349 E350 V356 Q357L161-I353 HydrophobicContact CD1-CB 4.41Å; L161-I353 HydrophobicContact CD1-CG2 3.97Å; I164-I353 HydrophobicContact CB-CG1 4.36Å; I164-I353 HydrophobicContact CG2-CD1 4.19Å; I164-I353 HydrophobicContact CG2-CG1 3.6Å; R349-I353 HydrophobicContact CG-CD1 4.1Å; R349-I353 VanDerWaalsContact O-CG1 3.31Å; R349-I353 WeakPolarHBondContact O-CG1 3.46Å; R349-I353 PolarHBondContact O-N 3.43Å; E350-I353 PolarHBondContact O-N 3.24Å; I353-V356 PolarHBondContact O-N 3.36Å; I353-Q357 WeakPolarHBondContact O-CB 3.48Å; I353-Q357 VanDerWaalsContact O-CG 3.27Å; I353-Q357 WeakPolarHBondContact O-CG 3.4Å; I353-Q357 PolarHBondContact O-N 2.95Å
354E92.4Very high86.8Confident110 Ų11063 Ų6351%0.51432%0.322SS..Hα-helixtrans-61.8-45.3178.1-166.1-167.3150.500111.5E350 A351 T352 V356 Q357 R358E350-E354 PolarHBondContact O-N 3.13Å; A351-E354 PolarHBondContact O-N 3.02Å; T352-E354 VanDerWaalsContact C-N 3.34Å; T352-E354 PolarHBondContact O-N 3.4Å; E354-V356 PolarHBondContact O-N 3Å; E354-Q357 PolarHBondContact O-N 3.04Å; E354-R358 VanDerWaalsContact CD-NH2 3.3Å; E354-R358 WeakPolarHBondContact O-CB 3.31Å; E354-R358 PolarHBondContact O-N 3.31Å; E354-R358 IonicContact OE1-CZ 2.75Å; E354-R358 IonicContact OE1-NH2 3.08Å; E354-R358 PolarHBondContact OE1-NH2 3.42Å
355N90.9Very high84.6Confident10 Ų1070.6 Ų70.65%0.05336%0.355CS..Hα-helixtrans-62-44.5178.8-172.847.6000112.2Y139 A351 T352 R358 R359Y139-N355 HydrophobicContact CD1-CB 3.92Å; Y139-N355 HydrophobicContact CE1-CB 3.6Å; Y139-N355 HydrophobicContact CE2-CB 4.43Å; Y139-N355 HydrophobicContact CG-CB 4.46Å; A351-N355 VanDerWaalsContact O-CB 3.31Å; A351-N355 WeakPolarHBondContact O-CB 3.42Å; A351-N355 PolarHBondContact O-N 3.02Å; T352-N355 PolarHBondContact O-N 3.05Å; N355-R358 PolarHBondContact O-N 2.95Å; N355-R359 WeakPolarHBondContact O-CB 3.36Å; N355-R359 WeakPolarHBondContact O-CG 3.24Å; N355-R359 PolarHBondContact O-N 3.06Å
356V89.4Confident82.8Confident20 Ų2075.1 Ų75.112%0.12138%0.376CS..Hα-helixtrans-64.3-43177.2172.70000110.8Y160 L161 I164 T352 I353 E354 R359 Q360Y160-V356 HydrophobicContact CD1-CG1 4.44Å; Y160-V356 HydrophobicContact CE1-CG2 4.16Å; L161-V356 HydrophobicContact CB-CG1 4.44Å; L161-V356 HydrophobicContact CD1-CB 4.14Å; L161-V356 HydrophobicContact CD1-CG1 3.94Å; I164-V356 HydrophobicContact CD1-CG2 4.19Å; T352-V356 HydrophobicContact CG2-CG2 4.27Å; T352-V356 WeakPolarHBondContact O-CB 3.18Å; T352-V356 VanDerWaalsContact O-CG2 3.24Å; T352-V356 WeakPolarHBondContact O-CG2 3.24Å; T352-V356 PolarHBondContact O-N 3.23Å; I353-V356 PolarHBondContact O-N 3.36Å; E354-V356 PolarHBondContact O-N 3Å; V356-R359 PolarHBondContact O-N 2.68Å; V356-Q360 HydrophobicContact CG1-CG 4.36Å; V356-Q360 WeakPolarHBondContact O-CB 3.32Å; V356-Q360 VanDerWaalsContact O-CG 3.23Å; V356-Q360 WeakPolarHBondContact O-CG 3.37Å; V356-Q360 PolarHBondContact O-N 2.95Å
357Q89.5Confident80.9Confident97 Ų9776.9 Ų76.945%0.45338%0.38SS..Hα-helixtrans-62.7-43.7175.8-74.8173.3-4.900111.9L161 I353 E354 Q360 A361L161-Q357 HydrophobicContact CD1-CG 3.87Å; L161-Q357 HydrophobicContact CD2-CG 3.62Å; L161-Q357 HydrophobicContact CG-CG 4.39Å; I353-Q357 WeakPolarHBondContact O-CB 3.48Å; I353-Q357 VanDerWaalsContact O-CG 3.27Å; I353-Q357 WeakPolarHBondContact O-CG 3.4Å; I353-Q357 PolarHBondContact O-N 2.95Å; E354-Q357 PolarHBondContact O-N 3.04Å; Q357-Q360 PolarHBondContact O-N 3.39Å; Q357-A361 WeakPolarHBondContact O-CB 3.35Å; Q357-A361 PolarHBondContact O-N 3.33Å
358R86.5Confident79Confident89 Ų8974.5 Ų74.534%0.33637%0.372SS..Hα-helixtrans-60.7-46.5176.5-165.8-173-53.7126.8-1.1111.2E354 N355 Q360 A361 R362E354-R358 VanDerWaalsContact CD-NH2 3.3Å; E354-R358 WeakPolarHBondContact O-CB 3.31Å; E354-R358 PolarHBondContact O-N 3.31Å; E354-R358 IonicContact OE1-CZ 2.75Å; E354-R358 IonicContact OE1-NH2 3.08Å; E354-R358 PolarHBondContact OE1-NH2 3.42Å; N355-R358 PolarHBondContact O-N 2.95Å; R358-Q360 VanDerWaalsContact C-N 3.35Å; R358-Q360 PolarHBondContact O-N 3.03Å; R358-A361 PolarHBondContact O-N 2.91Å; R358-R362 WeakPolarHBondContact O-CG 3.28Å; R358-R362 PolarHBondContact O-N 2.99Å
359R83.8Confident77Confident47 Ų4777 Ų7718%0.17738%0.384CS..Hα-helixtrans-64.6-34.8175.8-77.2177.1159.7-173.8-6112.7E133 N355 V356 D371E133-R359 IonicContact OE2-CZ 3.43Å; E133-R359 IonicContact OE2-NH1 2.98Å; E133-R359 PolarHBondContact OE2-NH1 2.91Å; E133-R359 IonicContact OE2-NH2 3.24Å; N355-R359 WeakPolarHBondContact O-CB 3.36Å; N355-R359 WeakPolarHBondContact O-CG 3.24Å; N355-R359 PolarHBondContact O-N 3.06Å; V356-R359 PolarHBondContact O-N 2.68Å; R359-D371 IonicContact CZ-OD1 2.68Å; R359-D371 IonicContact NE-OD1 2.58Å; R359-D371 IonicContact NH2-OD1 3.12Å; R359-D371 PolarHBondContact NH2-OD1 3.07Å
360Q80.4Confident75.1Confident119 Ų11976.9 Ų76.956%0.55639%0.386SS*.Hα-helixtrans-73.1-31.4177-77.3176.91.500113.4V356 Q357 R358 R362V356-Q360 HydrophobicContact CG1-CG 4.36Å; V356-Q360 WeakPolarHBondContact O-CB 3.32Å; V356-Q360 VanDerWaalsContact O-CG 3.23Å; V356-Q360 WeakPolarHBondContact O-CG 3.37Å; V356-Q360 PolarHBondContact O-N 2.95Å; Q357-Q360 PolarHBondContact O-N 3.39Å; R358-Q360 VanDerWaalsContact C-N 3.35Å; R358-Q360 PolarHBondContact O-N 3.03Å; Q360-R362 VanDerWaalsContact C-N 3.28Å
361A76.9Confident73Confident83 Ų8375.7 Ų75.769%0.68638%0.383SS*.Hα-helixtrans-74.5-18.9178.600000113.3Q357 R358Q357-A361 WeakPolarHBondContact O-CB 3.35Å; Q357-A361 PolarHBondContact O-N 3.33Å; R358-A361 PolarHBondContact O-N 2.91Å
362R69.6Low70.8Confident72 Ų7277.6 Ų77.627%0.27239%0.391SS..SBendtrans-81.4134.7-177.7-75.6175.9-175.8-130.115.8111.9R358 Q360 G364 E366 D370R358-R362 WeakPolarHBondContact O-CG 3.28Å; R358-R362 PolarHBondContact O-N 2.99Å; Q360-R362 VanDerWaalsContact C-N 3.28Å; R362-G364 PolarHBondContact O-N 2.68Å; R362-E366 HydrophobicContact CB-CB 3.93Å; R362-E366 HydrophobicContact CG-CB 4.05Å; R362-E366 PolarHBondContact NH1-O 2.97Å; R362-D370 IonicContact CZ-OD1 3.76Å; R362-D370 IonicContact CZ-OD2 2.69Å; R362-D370 IonicContact NE-OD2 3.81Å; R362-D370 PolarHBondContact NE-OD2 2.65Å; R362-D370 IonicContact NH1-OD1 2.89Å; R362-D370 PolarHBondContact NH1-OD1 2.89Å; R362-D370 IonicContact NH1-OD2 3.56Å; R362-D370 PolarHBondContact NH1-OD2 3.5Å; R362-D370 IonicContact NH2-OD1 2.99Å; R362-D370 PolarHBondContact NH2-OD1 3.16Å; R362-D370 IonicContact NH2-OD2 2.86Å; R362-D370 PolarHBondContact NH2-OD2 3.38Å
363I54.1Low68.5Low115 Ų11580.3 Ų80.359%0.5941%0.406SS*.  trans-85.1113179.5-61171.8000108.5F365 E366 I461I363-F365 VanDerWaalsContact C-N 3.33Å; I363-F365 PolarHBondContact O-N 2.98Å; I363-E366 PolarHBondContact O-N 2.66Å; I363-E366 VanDerWaalsContact O-N 3.14Å; I363-I461 HydrophobicContact CD1-CD1 3.72Å; I363-I461 HydrophobicContact CG2-CD1 4.11Å
364G57.3Low66.4Low55 Ų5582 Ų8257%0.56742%0.424SS*.THydrogen-bonded Turntrans44.5-78.2162.700000117.1R362 R367R362-G364 PolarHBondContact O-N 2.68Å; G364-R367 WeakPolarHBondContact O-CB 3.39Å; G364-R367 PolarHBondContact O-N 2.86Å
365F50.7Low64.1Low177 Ų17783.3 Ų83.378%0.77643%0.434SS*.Hα-helixtrans-69-34-177.9-99.4-92.5000114.5I363 R367 D368I363-F365 VanDerWaalsContact C-N 3.33Å; I363-F365 PolarHBondContact O-N 2.98Å; F365-R367 PolarHBondContact O-N 3.39Å; F365-D368 PolarHBondContact O-N 3.17Å
366E57.6Low61.9Low95 Ų9587.6 Ų87.644%0.44445%0.452SS..Hα-helixtrans-72.5-13179.1-70.3176.6169.400112.9R362 I363R362-E366 HydrophobicContact CB-CB 3.93Å; R362-E366 HydrophobicContact CG-CB 4.05Å; R362-E366 PolarHBondContact NH1-O 2.97Å; I363-E366 PolarHBondContact O-N 2.66Å; I363-E366 VanDerWaalsContact O-N 3.14Å
367R55.6Low59.6Low143 Ų14392.5 Ų92.554%0.5448%0.478SS..Hα-helixtrans-77.3-37.8177.9-174.3175.8170.7169.1-2.4111.6G364 F365 E369G364-R367 WeakPolarHBondContact O-CB 3.39Å; G364-R367 PolarHBondContact O-N 2.86Å; F365-R367 PolarHBondContact O-N 3.39Å; R367-E369 VanDerWaalsContact C-N 3.34Å
368D53.8Low57.4Low107 Ų10789.4 Ų89.457%0.57247%0.469SS*.Hα-helixtrans-73.9-25.3-179.7-62.7-19.9000112.2F365F365-D368 PolarHBondContact O-N 3.17Å
369E54.3Low55.2Low79 Ų7991.1 Ų91.137%0.36949%0.49SS..Hα-helixtrans-72.6-41.4177.1-70.1-168.9144.900112.1R367 D371 T372 D373 Q441R367-E369 VanDerWaalsContact C-N 3.34Å; E369-D371 VanDerWaalsContact C-N 3.33Å; E369-D371 PolarHBondContact O-N 3.28Å; E369-T372 CarbonylContact O-C 3.59Å; E369-T372 WeakPolarHBondContact O-CA 3.42Å; E369-T372 PolarHBondContact O-N 2.85Å; E369-T372 PolarHBondContact O-OG1 2.75Å; E369-D373 PolarHBondContact O-N 3.08Å; E369-Q441 PolarHBondContact OE1-NE2 3.28Å
370D54.1Low52.6Low30 Ų3091.7 Ų91.716%0.1651%0.511CS..Hα-helixtrans-64.2-34.7178.2-92.312.5000112.7R362 T372 D373 A374R362-D370 IonicContact CZ-OD1 3.76Å; R362-D370 IonicContact CZ-OD2 2.69Å; R362-D370 IonicContact NE-OD2 3.81Å; R362-D370 PolarHBondContact NE-OD2 2.65Å; R362-D370 IonicContact NH1-OD1 2.89Å; R362-D370 PolarHBondContact NH1-OD1 2.89Å; R362-D370 IonicContact NH1-OD2 3.56Å; R362-D370 PolarHBondContact NH1-OD2 3.5Å; R362-D370 IonicContact NH2-OD1 2.99Å; R362-D370 PolarHBondContact NH2-OD1 3.16Å; R362-D370 IonicContact NH2-OD2 2.86Å; R362-D370 PolarHBondContact NH2-OD2 3.38Å; D370-T372 PolarHBondContact O-N 2.69Å; D370-D373 PolarHBondContact O-N 3.41Å; D370-A374 WeakPolarHBondContact O-CB 3.29Å; D370-A374 PolarHBondContact O-N 2.72Å
371D53.2Low50.3Low75 Ų7590.5 Ų90.540%0.40152%0.521SS..Hα-helixtrans-64.8-23.2175-69.6-16.9000111.5R359 E369R359-D371 IonicContact CZ-OD1 2.68Å; R359-D371 IonicContact NE-OD1 2.58Å; R359-D371 IonicContact NH2-OD1 3.12Å; R359-D371 PolarHBondContact NH2-OD1 3.07Å; E369-D371 VanDerWaalsContact C-N 3.33Å; E369-D371 PolarHBondContact O-N 3.28Å
372T47.8Very low48.2Very low72 Ų7295.7 Ų95.744%0.44253%0.531SS..Hα-helixtrans-94-12.6171.967.70000114.6E369 D370 K376E369-T372 CarbonylContact O-C 3.59Å; E369-T372 WeakPolarHBondContact O-CA 3.42Å; E369-T372 PolarHBondContact O-N 2.85Å; E369-T372 PolarHBondContact O-OG1 2.75Å; D370-T372 PolarHBondContact O-N 2.69Å; T372-K376 WeakPolarHBondContact O-CE 3.49Å; T372-K376 WeakPolarHBondContact O-CG 3.28Å; T372-K376 PolarHBondContact O-NZ 2.95Å
373D47.8Very low46.5Very low62 Ų62100.9 Ų100.933%0.33256%0.564SS.*Hα-helixtrans-103.8-18.1-179-74.7-19.7000113.1E369 D370 D375 K376 D377E369-D373 PolarHBondContact O-N 3.08Å; D370-D373 PolarHBondContact O-N 3.41Å; D373-D375 PolarHBondContact O-N 3.07Å; D373-K376 PolarHBondContact O-N 3.27Å; D373-K376 IonicContact OD1-NZ 3.28Å; D373-K376 PolarHBondContact OD1-NZ 3.11Å; D373-D377 PolarHBondContact O-N 3.18Å
374A48.1Very low45.4Very low66 Ų6698.4 Ų98.455%0.54557%0.567SS.*THydrogen-bonded Turntrans-56.7-31168.100000112.4D370D370-A374 WeakPolarHBondContact O-CB 3.29Å; D370-A374 PolarHBondContact O-N 2.72Å
375D45.4Very low44.2Very low136 Ų136104.4 Ų104.473%0.72758%0.58SS**THydrogen-bonded Turntrans-80.6-25170.9-97-15.6000113.6D373D373-D375 PolarHBondContact O-N 3.07Å
376K43.9Very low43.6Very low100 Ų100104.1 Ų104.144%0.43559%0.586SS.*THydrogen-bonded Turntrans-89.5-27.7-176.7-62.4-164.5-148.695.90113.6T372 D373 A378 T379T372-K376 WeakPolarHBondContact O-CE 3.49Å; T372-K376 WeakPolarHBondContact O-CG 3.28Å; T372-K376 PolarHBondContact O-NZ 2.95Å; D373-K376 PolarHBondContact O-N 3.27Å; D373-K376 IonicContact OD1-NZ 3.28Å; D373-K376 PolarHBondContact OD1-NZ 3.11Å; K376-A378 PolarHBondContact O-N 3.31Å; K376-A378 VanDerWaalsContact O-N 3.08Å; K376-T379 PolarHBondContact O-N 2.95Å; K376-T379 PolarHBondContact O-OG1 3.44Å
377D41.9Very low42.3Very low124 Ų124102.8 Ų102.866%0.66360%0.599SS**THydrogen-bonded Turntrans-67.5-2.3169.9-89.8-9.4000113.1D373D373-D377 PolarHBondContact O-N 3.18Å
378A42.9Very low41.3Very low32 Ų32105.1 Ų105.126%0.26462%0.616SS.*THydrogen-bonded Turntrans-85.2-4.816800000114.1T32 K376T32-A378 WeakPolarHBondContact CG2-O 3.45Å; K376-A378 PolarHBondContact O-N 3.31Å; K376-A378 VanDerWaalsContact O-N 3.08Å
379T39.2Very low40.6Very low124 Ų124109.4 Ų109.476%0.76163%0.632SS**SBendtrans-138.710.4-171.452.40000116.2K376K376-T379 PolarHBondContact O-N 2.95Å; K376-T379 PolarHBondContact O-OG1 3.44Å
380G30.3Very low39.7Very low60 Ų60113.2 Ų113.262%0.61966%0.655SS**  trans-150.566.8-16700000117.6
381A32Very low39Very low94 Ų94119.2 Ų119.278%0.77769%0.687SS**SBendtrans-161.9132.6152.400000108.9
382E33.6Very low38.8Very low191 Ų191122.7 Ų122.789%0.89371%0.706SS**  trans89.945.1175.2-46.5-169.6-178.400118.3
383N32.2Very low39.2Very low182 Ų182127.5 Ų127.597%0.97373%0.727SS**  trans-9879.7147.9-102.4-13.1000109.4
384G32.2Very low39.7Very low62 Ų62127.7 Ų127.764%0.63973%0.732SS**  trans-119.5103.3173.800000110.8
385Q32.3Very low40.6Very low182 Ų182134.3 Ų134.385%0.8574%0.744SS**  trans82.1117.9155.8-59171.73.500118.3
386N36.6Very low42.2Very low170 Ų170129.8 Ų129.891%0.90972%0.72SS**  trans126.1110.4156.6-64.2-22.7000108.6
387G32.1Very low43.5Very low68 Ų68129.3 Ų129.370%0.70173%0.727SS**  cis138.9115.720.400000105.7
388E33.6Very low44.7Very low192 Ų192129.7 Ų129.790%0.89772%0.723SS**  trans71.2110163.7-57.8176.4-178.900117.5
389E39.2Very low46.2Very low196 Ų196134.2 Ų134.292%0.91674%0.742SS**  -176.9126114.2-93.6169.3-167.500109.7
390D36Very low48.1Very low160 Ų160129.1 Ų129.186%0.85671%0.71SS**  trans-55.1127.9176.4-82.5-47.3000111.3
391D37.9Very low50.2Low155 Ų155128.3 Ų128.383%0.82969%0.694SS**  trans-166.3125.4144.3-91.1-30000111.5
392D49.7Very low52.5Low148 Ų148128.8 Ų128.879%0.79168%0.683SS**  trans66.694.7162.9-64.2-30.4000121.1P394D392-P394 WeakPolarHBondContact O-CD 3.4Å
393I56.1Low54.4Low173 Ų173120.8 Ų120.889%0.88765%0.652SS**  trans-61114.1160.6-58.9170.2000109.1Y395I393-Y395 PolarHBondContact O-N 2.91Å
394P59.6Low56.3Low67 Ų67123.7 Ų123.744%0.43565%0.65SS.*  trans-67.9132.4-176.2-21.234.7000112.5D392 N396D392-P394 WeakPolarHBondContact O-CD 3.4Å; P394-N396 PolarHBondContact O-N 3.16Å
395Y66.3Low58.5Low205 Ų205124.9 Ų124.980%0.80464%0.641SS**  trans-61104.9178.9-179.4-105.3000112.1I393 P397I393-Y395 PolarHBondContact O-N 2.91Å; Y395-P397 HydrophobicContact CD1-CG 4.05Å; Y395-P397 HydrophobicContact CE1-CB 4.19Å; Y395-P397 HydrophobicContact CE1-CG 3.49Å; Y395-P397 VanDerWaalsContact CE1-CG 3.49Å; Y395-P397 WeakPolarHBondContact O-CD 3.48Å
396N79.6Confident60.5Low40 Ų40117.8 Ų117.821%0.21462%0.617CS.*  trans-122.669.7-177.6-1703.6000113.6P394 K398 N399 L400 P408P394-N396 PolarHBondContact O-N 3.16Å; N396-K398 PolarHBondContact O-N 3.46Å; N396-N399 PolarHBondContact O-N 3.02Å; N396-N399 PolarHBondContact OD1-N 3.39Å; N396-L400 PolarHBondContact ND2-N 3.49Å; N396-L400 PolarHBondContact ND2-O 2.74Å; N396-L400 PolarHBondContact OD1-N 3.01Å; N396-P408 HydrophobicContact CB-CB 4.42Å; N396-P408 HydrophobicContact CB-CG 3.57Å; N396-P408 VanDerWaalsContact CG-CG 3.44Å
397P69.6Low62.6Low90 Ų90116 Ų11658%0.58460%0.601SS**THydrogen-bonded Turntrans-68.8-16.7-172.928.6-37.9000114.7Y395Y395-P397 HydrophobicContact CD1-CG 4.05Å; Y395-P397 HydrophobicContact CE1-CB 4.19Å; Y395-P397 HydrophobicContact CE1-CG 3.49Å; Y395-P397 VanDerWaalsContact CE1-CG 3.49Å; Y395-P397 WeakPolarHBondContact O-CD 3.48Å
398K68.8Low65Low132 Ų132114.6 Ų114.657%0.57458%0.58SS**THydrogen-bonded Turntrans-101.65.9178.7-72.1-176.1178.8177.80113.3N396 L400 Y411N396-K398 PolarHBondContact O-N 3.46Å; K398-L400 HydrophobicContact CB-CD1 3.87Å; K398-L400 HydrophobicContact CB-CD2 4.44Å; K398-L400 HydrophobicContact CB-CG 3.75Å; K398-L400 HydrophobicContact CD-CD1 4.38Å; K398-L400 PolarHBondContact O-N 3.23Å; K398-L400 VanDerWaalsContact O-N 3.14Å; K398-Y411 HydrophobicContact CD-CD2 3.95Å; K398-Y411 HydrophobicContact CD-CE2 4.35Å
399N72.8Confident67.3Low127 Ų127106.9 Ų106.968%0.67954%0.544SS*.  trans45.743.1-176.7-154.112.9000112.2N396N396-N399 PolarHBondContact O-N 3.02Å; N396-N399 PolarHBondContact OD1-N 3.39Å
400L79.9Confident69.4Low17 Ų17100.6 Ų100.69%0.08952%0.521CS..PPolyproline II helixtrans-74147.4180-67.1164.4000108.9N396 K398 L402 P408 I409 Y411 Y414N396-L400 PolarHBondContact ND2-N 3.49Å; N396-L400 PolarHBondContact ND2-O 2.74Å; N396-L400 PolarHBondContact OD1-N 3.01Å; K398-L400 HydrophobicContact CB-CD1 3.87Å; K398-L400 HydrophobicContact CB-CD2 4.44Å; K398-L400 HydrophobicContact CB-CG 3.75Å; K398-L400 HydrophobicContact CD-CD1 4.38Å; K398-L400 PolarHBondContact O-N 3.23Å; K398-L400 VanDerWaalsContact O-N 3.14Å; L400-L402 PolarHBondContact O-N 2.93Å; L400-P408 HydrophobicContact CB-CB 4.16Å; L400-I409 HydrophobicContact CB-CG1 4.39Å; L400-I409 WeakPolarHBondContact CD1-O 3.3Å; L400-Y411 HydrophobicContact CD1-CD2 4.45Å; L400-Y411 HydrophobicContact CD2-CD2 4.07Å; L400-Y414 HydrophobicContact CD2-CD1 3.62Å; L400-Y414 HydrophobicContact CD2-CD2 4.02Å; L400-Y414 HydrophobicContact CD2-CE1 4.09Å; L400-Y414 HydrophobicContact CD2-CE2 4.49Å; L400-Y414 HydrophobicContact CD2-CG 3.57Å
401P74.1Confident71.6Confident44 Ų4498.2 Ų98.229%0.28650%0.5SS..PPolyproline II helixtrans-51.5139171.6-24.133.5000110.6I409 Y414P401-I409 HydrophobicContact CB-CD1 4.04Å; P401-I409 HydrophobicContact CB-CG1 4.43Å; P401-I409 HydrophobicContact CG-CD1 4.07Å; P401-I409 WeakPolarHBondContact O-CG1 3.47Å; P401-I409 WeakPolarHBondContact O-CG2 3.46Å; P401-I409 PolarHBondContact O-N 3.37Å; P401-Y414 HydrophobicContact CG-CD2 4.28Å; P401-Y414 HydrophobicContact CG-CE2 4.39Å
402L79.4Confident73.9Confident103 Ų10398.7 Ų98.754%0.53949%0.491SS..BIsolated β-bridgetrans-79.1137.4175.9-59.1176.3000108.7L400 K407 P408L400-L402 PolarHBondContact O-N 2.93Å; L402-K407 CarbonylContact C-O 3.38Å; L402-K407 WeakPolarHBondContact CA-O 3.24Å; L402-P408 HydrophobicContact CD2-CB 4.42Å; L402-P408 HydrophobicContact CD2-CG 3.97Å
403G75.5Confident75.5Confident23 Ų2393.9 Ų93.924%0.23747%0.465CS..  trans-72.7-179.8171.400000111.6D405 G406 K407G403-D405 PolarHBondContact O-N 3.4Å; G403-G406 PolarHBondContact O-N 3.35Å; G403-G406 VanDerWaalsContact O-N 3.08Å; G403-K407 PolarHBondContact N-O 3.02Å
404W72Confident76.6Confident244 Ų24487.1 Ų87.192%0.92443%0.428SS*.THydrogen-bonded Turntrans-65.9-17.417561.6-89.1000112.9G406W404-G406 VanDerWaalsContact C-N 3.3Å
405D76.7Confident77.8Confident86 Ų8688.5 Ų88.546%0.4643%0.428SS..THydrogen-bonded Turntrans-85.63.5173.667.8-18000113.5G403 K407G403-D405 PolarHBondContact O-N 3.4Å; D405-K407 PolarHBondContact O-N 2.9Å; D405-K407 PolarHBondContact OD1-N 3.3Å; D405-K407 WeakPolarHBondContact OD2-CB 3.49Å
406G74.9Confident78.7Confident34 Ų3484.7 Ų84.735%0.35142%0.42SS..SBendtrans71.72.8-175.800000114.6G403 W404G403-G406 PolarHBondContact O-N 3.35Å; G403-G406 VanDerWaalsContact O-N 3.08Å; W404-G406 VanDerWaalsContact C-N 3.3Å
407K81.1Confident78.8Confident131 Ų13188 Ų8857%0.5744%0.435SS*.SBendtrans-98.9152.9-180-61177-175.7165.50111.1L402 G403 D405 I409L402-K407 CarbonylContact C-O 3.38Å; L402-K407 WeakPolarHBondContact CA-O 3.24Å; G403-K407 PolarHBondContact N-O 3.02Å; D405-K407 PolarHBondContact O-N 2.9Å; D405-K407 PolarHBondContact OD1-N 3.3Å; D405-K407 WeakPolarHBondContact OD2-CB 3.49Å; K407-I409 PolarHBondContact O-N 3.46Å
408P82.1Confident79.5Confident40 Ų4084.1 Ų84.126%0.2641%0.411SS..BIsolated β-bridgetrans-60.9127.5176.7-22.634.3000111.7N396 L400 L402N396-P408 HydrophobicContact CB-CB 4.42Å; N396-P408 HydrophobicContact CB-CG 3.57Å; N396-P408 VanDerWaalsContact CG-CG 3.44Å; L400-P408 HydrophobicContact CB-CB 4.16Å; L402-P408 HydrophobicContact CD2-CB 4.42Å; L402-P408 HydrophobicContact CD2-CG 3.97Å
409I81.2Confident80.2Confident29 Ų2980.1 Ų80.115%0.14940%0.395CS..PPolyproline II helixtrans-58.8147.6179.164.3176.8000111.3L400 P401 K407 Y411 L413 Y414 L419L400-I409 HydrophobicContact CB-CG1 4.39Å; L400-I409 WeakPolarHBondContact CD1-O 3.3Å; P401-I409 HydrophobicContact CB-CD1 4.04Å; P401-I409 HydrophobicContact CB-CG1 4.43Å; P401-I409 HydrophobicContact CG-CD1 4.07Å; P401-I409 WeakPolarHBondContact O-CG1 3.47Å; P401-I409 WeakPolarHBondContact O-CG2 3.46Å; P401-I409 PolarHBondContact O-N 3.37Å; K407-I409 PolarHBondContact O-N 3.46Å; I409-Y411 PolarHBondContact O-N 3.37Å; I409-L413 HydrophobicContact CB-CD2 4.48Å; I409-Y414 HydrophobicContact CD1-CD2 4.42Å; I409-L419 HydrophobicContact CD1-CD1 3.79Å
410P84.2Confident80.7Confident64 Ų6476.2 Ų76.242%0.41637%0.374SS..PPolyproline II helixtrans-54.7137.4176.7-27.234.9000113.1W412 L413 Y414P410-W412 VanDerWaalsContact C-N 3.26Å; P410-W412 HydrophobicContact CB-CG 4.44Å; P410-W412 VanDerWaalsContact CB-NE1 3.31Å; P410-W412 PolarHBondContact O-N 3.47Å; P410-L413 HydrophobicContact CB-CB 4.23Å; P410-L413 WeakPolarHBondContact O-CA 3.35Å; P410-L413 VanDerWaalsContact O-CB 3.28Å; P410-L413 WeakPolarHBondContact O-CB 3.3Å; P410-L413 PolarHBondContact O-N 3.05Å; P410-Y414 PolarHBondContact O-N 3.48Å
411Y81.4Confident81Confident110 Ų11079.6 Ų79.643%0.43139%0.391SS..Hα-helixtrans-59.6-32.1-175.6-177-106.5000114K398 L400 I409 Y414 K415K398-Y411 HydrophobicContact CD-CD2 3.95Å; K398-Y411 HydrophobicContact CD-CE2 4.35Å; L400-Y411 HydrophobicContact CD1-CD2 4.45Å; L400-Y411 HydrophobicContact CD2-CD2 4.07Å; I409-Y411 PolarHBondContact O-N 3.37Å; Y411-Y414 HydrophobicContact CD2-CD1 4.27Å; Y411-Y414 HydrophobicContact CE2-CD1 4.22Å; Y411-Y414 WeakPolarHBondContact O-CB 3.25Å; Y411-K415 HydrophobicContact CE1-CG 4.16Å; Y411-K415 PolarHBondContact O-N 3.35Å; Y411-K415 VanDerWaalsContact O-N 3.11Å; Y411-K415 VanDerWaalsContact OH-CE 3.24Å; Y411-K415 WeakPolarHBondContact OH-CE 3.24Å
412W86.5Confident81.8Confident166 Ų16683.7 Ų83.763%0.62940%0.401SS*.Hα-helixtrans-69.1-35.717567.6-93000111.6P410 K415 L416P410-W412 VanDerWaalsContact C-N 3.26Å; P410-W412 HydrophobicContact CB-CG 4.44Å; P410-W412 VanDerWaalsContact CB-NE1 3.31Å; P410-W412 PolarHBondContact O-N 3.47Å; W412-K415 PolarHBondContact O-N 3.28Å; W412-L416 HydrophobicContact CE3-CB 4.48Å; W412-L416 HydrophobicContact CE3-CD2 4.18Å; W412-L416 HydrophobicContact CZ3-CD2 3.75Å; W412-L416 WeakPolarHBondContact O-CB 3.47Å; W412-L416 PolarHBondContact O-N 3.04Å
413L83.5Confident82.4Confident47 Ų4782.2 Ų82.225%0.24639%0.389CS..Hα-helixtrans-67.2-42.1176.6-166.566.4000110.2I409 P410 K415 L416 H417I409-L413 HydrophobicContact CB-CD2 4.48Å; P410-L413 HydrophobicContact CB-CB 4.23Å; P410-L413 WeakPolarHBondContact O-CA 3.35Å; P410-L413 VanDerWaalsContact O-CB 3.28Å; P410-L413 WeakPolarHBondContact O-CB 3.3Å; P410-L413 PolarHBondContact O-N 3.05Å; L413-K415 VanDerWaalsContact C-N 3.31Å; L413-K415 PolarHBondContact O-N 3.4Å; L413-L416 PolarHBondContact O-N 2.9Å; L413-H417 VanDerWaalsContact CD1-NE2 3.33Å; L413-H417 WeakPolarHBondContact CD1-NE2 3.16Å; L413-H417 PolarHBondContact O-CD2 3.39Å; L413-H417 VanDerWaalsContact O-CD2 3.29Å; L413-H417 PolarHBondContact O-N 3.28Å
414Y79.6Confident83.3Confident31 Ų3184.5 Ų84.512%0.12240%0.401CS..Hα-helixtrans-56.8-41.6171.7176.1-111000112.8L400 P401 I409 P410 Y411 L419 N420L400-Y414 HydrophobicContact CD2-CD1 3.62Å; L400-Y414 HydrophobicContact CD2-CD2 4.02Å; L400-Y414 HydrophobicContact CD2-CE1 4.09Å; L400-Y414 HydrophobicContact CD2-CE2 4.49Å; L400-Y414 HydrophobicContact CD2-CG 3.57Å; P401-Y414 HydrophobicContact CG-CD2 4.28Å; P401-Y414 HydrophobicContact CG-CE2 4.39Å; I409-Y414 HydrophobicContact CD1-CD2 4.42Å; P410-Y414 PolarHBondContact O-N 3.48Å; Y411-Y414 HydrophobicContact CD2-CD1 4.27Å; Y411-Y414 HydrophobicContact CE2-CD1 4.22Å; Y411-Y414 WeakPolarHBondContact O-CB 3.25Å; Y414-L419 HydrophobicContact CD2-CB 3.35Å; Y414-L419 HydrophobicContact CD2-CD1 4.13Å; Y414-L419 HydrophobicContact CD2-CG 4.39Å; Y414-L419 VanDerWaalsContact CE2-C 3.47Å; Y414-L419 HydrophobicContact CE2-CB 3.46Å; Y414-L419 VanDerWaalsContact CE2-CB 3.46Å; Y414-L419 WeakPolarHBondContact CE2-O 3.3Å; Y414-L419 HydrophobicContact CG-CB 4.3Å; Y414-L419 PolarHBondContact O-N 3.29Å; Y414-L419 VanDerWaalsContact O-N 3.08Å; Y414-N420 HydrophobicContact CD1-CB 4.13Å; Y414-N420 HydrophobicContact CE1-CB 3.45Å; Y414-N420 VanDerWaalsContact CE1-CB 3.45Å; Y414-N420 WeakPolarHBondContact OH-CA 3.39Å
415K85Confident84.4Confident96 Ų9672.9 Ų72.942%0.41736%0.357SS..Hα-helixtrans-74.5-39.4175.8-75.7-76.1176.8179.80113Y411 W412 L413 G418 N420Y411-K415 HydrophobicContact CE1-CG 4.16Å; Y411-K415 PolarHBondContact O-N 3.35Å; Y411-K415 VanDerWaalsContact O-N 3.11Å; Y411-K415 VanDerWaalsContact OH-CE 3.24Å; Y411-K415 WeakPolarHBondContact OH-CE 3.24Å; W412-K415 PolarHBondContact O-N 3.28Å; L413-K415 VanDerWaalsContact C-N 3.31Å; L413-K415 PolarHBondContact O-N 3.4Å; K415-G418 PolarHBondContact O-N 2.9Å; K415-N420 HydrophobicContact CD-CB 4.28Å; K415-N420 PolarHBondContact NZ-ND2 3.43Å
416L84Confident85.3Confident124 Ų12472.3 Ų72.365%0.64935%0.352SS*.Hα-helixtrans-63.7-46.1-178.5-178.169.5000111.4W412 L413 G418W412-L416 HydrophobicContact CE3-CB 4.48Å; W412-L416 HydrophobicContact CE3-CD2 4.18Å; W412-L416 HydrophobicContact CZ3-CD2 3.75Å; W412-L416 WeakPolarHBondContact O-CB 3.47Å; W412-L416 PolarHBondContact O-N 3.04Å; L413-L416 PolarHBondContact O-N 2.9Å; L416-G418 PolarHBondContact O-N 2.95Å
417H82.5Confident86.3Confident111 Ų11171.4 Ų71.451%0.51434%0.339SS..THydrogen-bonded Turntrans-78.53.7177.1-70.3-73000113.7L413 L419L413-H417 VanDerWaalsContact CD1-NE2 3.33Å; L413-H417 WeakPolarHBondContact CD1-NE2 3.16Å; L413-H417 PolarHBondContact O-CD2 3.39Å; L413-H417 VanDerWaalsContact O-CD2 3.29Å; L413-H417 PolarHBondContact O-N 3.28Å; H417-L419 HydrophobicContact CB-CD1 4.27Å; H417-L419 HydrophobicContact CB-CG 4.1Å; H417-L419 PolarHBondContact O-N 3.31Å
418G84Confident86.9Confident8 Ų865.7 Ų65.78%0.08232%0.315CS..THydrogen-bonded Turntrans65.717.4178.900000114.2K415 L416 N420 M421 G435K415-G418 PolarHBondContact O-N 2.9Å; L416-G418 PolarHBondContact O-N 2.95Å; G418-N420 PolarHBondContact O-N 3.45Å; G418-M421 WeakPolarHBondContact O-CB 3.46Å; G418-M421 PolarHBondContact O-N 3.46Å; G418-G435 WeakPolarHBondContact O-CA 3.31Å
419L84.4Confident87.4Confident47 Ų4766.8 Ų66.825%0.24633%0.334CS..THydrogen-bonded Turntrans-63.3-14.3-179.2-68.8168.9000112.8I409 Y414 H417 M421I409-L419 HydrophobicContact CD1-CD1 3.79Å; Y414-L419 HydrophobicContact CD2-CB 3.35Å; Y414-L419 HydrophobicContact CD2-CD1 4.13Å; Y414-L419 HydrophobicContact CD2-CG 4.39Å; Y414-L419 VanDerWaalsContact CE2-C 3.47Å; Y414-L419 HydrophobicContact CE2-CB 3.46Å; Y414-L419 VanDerWaalsContact CE2-CB 3.46Å; Y414-L419 WeakPolarHBondContact CE2-O 3.3Å; Y414-L419 HydrophobicContact CG-CB 4.3Å; Y414-L419 PolarHBondContact O-N 3.29Å; Y414-L419 VanDerWaalsContact O-N 3.08Å; H417-L419 HydrophobicContact CB-CD1 4.27Å; H417-L419 HydrophobicContact CB-CG 4.1Å; H417-L419 PolarHBondContact O-N 3.31Å; L419-M421 VanDerWaalsContact C-N 3.29Å
420N82.2Confident87.9Confident46 Ų4670.6 Ų70.625%0.24636%0.355CS..THydrogen-bonded Turntrans-81.1-2.517273.1-75.2000114.6Y414 K415 G418Y414-N420 HydrophobicContact CD1-CB 4.13Å; Y414-N420 HydrophobicContact CE1-CB 3.45Å; Y414-N420 VanDerWaalsContact CE1-CB 3.45Å; Y414-N420 WeakPolarHBondContact OH-CA 3.39Å; K415-N420 HydrophobicContact CD-CB 4.28Å; K415-N420 PolarHBondContact NZ-ND2 3.43Å; G418-N420 PolarHBondContact O-N 3.45Å
421M87.1Confident88.2Confident88 Ų8871.4 Ų71.443%0.43335%0.353SS..  trans-102137.9177.7-59.1-178.668.800109.2G418 L419 Y423 G435G418-M421 WeakPolarHBondContact O-CB 3.46Å; G418-M421 PolarHBondContact O-N 3.46Å; L419-M421 VanDerWaalsContact C-N 3.29Å; M421-Y423 HydrophobicContact CB-CE2 3.86Å; M421-Y423 VanDerWaalsContact CE-OH 3.3Å; M421-Y423 WeakPolarHBondContact CE-OH 3.25Å; M421-G435 PolarHBondContact O-N 3.24Å
422Y90.6Very high88.7Confident130 Ų13070.1 Ų70.151%0.5136%0.357SS..EExtended strand (participates in β ladder)trans-113.1133.6179.3-65-96.2000109.3Y433 R434Y422-Y433 WeakPolarHBondContact CA-O 3.48Å; Y422-R434 HydrophobicContact CD1-CG 3.82Å; Y422-R434 HydrophobicContact CE1-CG 3.42Å; Y422-R434 VanDerWaalsContact CE1-CG 3.42Å; Y422-R434 VanDerWaalsContact CE1-NE 3.33Å; Y422-R434 PolarHBondContact OH-NE 3.07Å; Y422-R434 PolarHBondContact OH-NH2 3.35Å
423Y92.6Very high89Confident71 Ų7163.2 Ų63.228%0.27833%0.331SS..EExtended strand (participates in β ladder)trans-121.8141.8176.2-62.2-90.4000109.1M421 T432 Y433 P436 F439M421-Y423 HydrophobicContact CB-CE2 3.86Å; M421-Y423 VanDerWaalsContact CE-OH 3.3Å; M421-Y423 WeakPolarHBondContact CE-OH 3.25Å; Y423-T432 CarbonylContact O-C 3.44Å; Y423-T432 WeakPolarHBondContact O-CA 3.49Å; Y423-Y433 PolarHBondContact N-O 3.35Å; Y423-Y433 PolarHBondContact O-N 3.4Å; Y423-P436 HydrophobicContact CE2-CB 4.45Å; Y423-P436 HydrophobicContact CE2-CG 4.05Å; Y423-F439 HydrophobicContact CD1-CD1 4.08Å; Y423-F439 HydrophobicContact CD1-CE1 4.26Å; Y423-F439 HydrophobicContact CD1-CG 4.41Å; Y423-F439 HydrophobicContact CD2-CB 4.06Å; Y423-F439 HydrophobicContact CD2-CG 4.31Å; Y423-F439 HydrophobicContact CG-CB 4.08Å; Y423-F439 AromaticContact CG-CD1 3.96Å; Y423-F439 HydrophobicContact CG-CD1 3.96Å; Y423-F439 HydrophobicContact CG-CD2 4.22Å; Y423-F439 HydrophobicContact CG-CE1 4.41Å; Y423-F439 AromaticContact CG-CG 3.81Å; Y423-F439 HydrophobicContact CG-CG 3.81Å
424S93.7Very high89.3Confident71 Ų7166.2 Ų66.250%0.49734%0.339SS..EExtended strand (participates in β ladder)trans-115.1147.2178.554.40000111.3Q431S424-Q431 WeakPolarHBondContact CA-O 3.34Å
425C95.8Very high89.7Confident0 Ų064.8 Ų64.80%033%0.334CS..EExtended strand (participates in β ladder)trans-124.1117.9175.4-176.20000110.6C428 N430 Q431 Y433 F439 H442C425-C428 HydrophobicContact CB-CB 4.05Å; C425-C428 PolarHBondContact O-N 2.89Å; C425-N430 VanDerWaalsContact O-CA 3.24Å; C425-N430 WeakPolarHBondContact O-CA 3.34Å; C425-N430 PolarHBondContact O-N 2.97Å; C425-Q431 PolarHBondContact N-O 3.49Å; C425-Q431 VanDerWaalsContact N-O 3.15Å; C425-Y433 HydrophobicContact CB-CE2 4.34Å; C425-F439 HydrophobicContact CB-CE2 4.23Å; C425-H442 WeakPolarHBondContact CB-NE2 3.44Å; C425-H442 PolarHBondContact SG-NE2 3.25Å
426E95.8Very high89.9Confident75 Ų7562.5 Ų62.535%0.3533%0.328SS..THydrogen-bonded Turntrans-68-40.6-178.6-165.4-170.2173.900110.9C428 G429 T467 K468 I469E426-C428 PolarHBondContact O-N 3.35Å; E426-G429 PolarHBondContact O-N 3.49Å; E426-T467 WeakPolarHBondContact CB-O 3.35Å; E426-T467 PolarHBondContact N-O 3.26Å; E426-T467 VanDerWaalsContact N-O 3.1Å; E426-K468 WeakPolarHBondContact OE2-CA 3.44Å; E426-K468 WeakPolarHBondContact OE2-CB 3.38Å; E426-I469 HydrophobicContact CB-CG1 4.5Å; E426-I469 HydrophobicContact CG-CD1 4.04Å; E426-I469 HydrophobicContact CG-CG1 4.1Å; E426-I469 PolarHBondContact OE2-N 2.93Å; E426-I469 VanDerWaalsContact OE2-N 3.08Å
427I94.3Very high90Very high14 Ų1462.4 Ų62.47%0.07232%0.323CS..THydrogen-bonded Turntrans-58.3-30.4176.7-63.3162.5000111.8G429 M452 L455 V466 T467 I469 A472I427-G429 VanDerWaalsContact C-N 3.33Å; I427-M452 HydrophobicContact CD1-SD 3.98Å; I427-M452 HydrophobicContact CG2-CG 4.25Å; I427-M452 HydrophobicContact CG2-SD 4.11Å; I427-L455 HydrophobicContact CG1-CD1 4.3Å; I427-L455 HydrophobicContact CG2-CD1 4.39Å; I427-V466 VanDerWaalsContact CD1-O 3.26Å; I427-V466 WeakPolarHBondContact CD1-O 3.46Å; I427-T467 PolarHBondContact N-O 2.71Å; I427-I469 HydrophobicContact CG1-CG1 4.08Å; I427-A472 HydrophobicContact CD1-CB 4.34Å
428C94.2Very high90.3Very high11 Ų1158.8 Ų58.87%0.07431%0.312CS..THydrogen-bonded Turntrans-89.512.9177-66.90000114C425 E426 Q431 R447C425-C428 HydrophobicContact CB-CB 4.05Å; C425-C428 PolarHBondContact O-N 2.89Å; E426-C428 PolarHBondContact O-N 3.35Å; C428-Q431 HydrophobicContact CB-CB 4Å; C428-R447 HydrophobicContact CB-CG 4.3Å
429G92Very high90.8Very high64 Ų6459.7 Ų59.766%0.6631%0.314SS*.THydrogen-bonded Turntrans78.137.4-177.200000113.7E426 I427 Q431E426-G429 PolarHBondContact O-N 3.49Å; I427-G429 VanDerWaalsContact C-N 3.33Å; G429-Q431 PolarHBondContact O-N 3.26Å
430N92.1Very high91.1Very high108 Ų10862.8 Ų62.858%0.57833%0.327SS*.SBendtrans5929.2-175.7-67.1-39.7000114.2C425C425-N430 VanDerWaalsContact O-CA 3.24Å; C425-N430 WeakPolarHBondContact O-CA 3.34Å; C425-N430 PolarHBondContact O-N 2.97Å
431Q91.5Very high91.5Very high81 Ų8164.1 Ų64.138%0.37933%0.332SS..EExtended strand (participates in β ladder)trans-60.6138.1172.7-175.26125.700110.4S424 C425 C428 G429 Y433S424-Q431 WeakPolarHBondContact CA-O 3.34Å; C425-Q431 PolarHBondContact N-O 3.49Å; C425-Q431 VanDerWaalsContact N-O 3.15Å; C428-Q431 HydrophobicContact CB-CB 4Å; G429-Q431 PolarHBondContact O-N 3.26Å; Q431-Y433 HydrophobicContact CB-CE2 4.09Å; Q431-Y433 HydrophobicContact CG-CE2 3.91Å
432T92.2Very high91.9Very high83 Ų8360 Ų6051%0.50931%0.311SS..EExtended strand (participates in β ladder)trans-99.9138.3177.957.10000111.3Y423Y423-T432 CarbonylContact O-C 3.44Å; Y423-T432 WeakPolarHBondContact O-CA 3.49Å
433Y91.9Very high92Very high22 Ų2254.8 Ų54.89%0.08629%0.291CS..EExtended strand (participates in β ladder)trans-120.4136.8179.2-66.1-90.5000109.6Y422 Y423 C425 Q431 F439 H442Y422-Y433 WeakPolarHBondContact CA-O 3.48Å; Y423-Y433 PolarHBondContact N-O 3.35Å; Y423-Y433 PolarHBondContact O-N 3.4Å; C425-Y433 HydrophobicContact CB-CE2 4.34Å; Q431-Y433 HydrophobicContact CB-CE2 4.09Å; Q431-Y433 HydrophobicContact CG-CE2 3.91Å; Y433-F439 AromaticContact CD2-CD2 3.93Å; Y433-F439 HydrophobicContact CD2-CD2 3.93Å; Y433-F439 HydrophobicContact CD2-CE2 4.43Å; Y433-F439 HydrophobicContact CG-CD2 4.2Å; Y433-H442 HydrophobicContact CD1-CB 3.91Å; Y433-H442 HydrophobicContact CE1-CB 3.31Å; Y433-H442 HydrophobicContact CE2-CB 3.99Å; Y433-H442 AromaticContact CE2-CD2 3.66Å; Y433-H442 AromaticContact CE2-CG 3.77Å; Y433-H442 HydrophobicContact CG-CB 4.47Å; Y433-H442 AromaticContact CZ-CD2 3.73Å; Y433-H442 AromaticContact CZ-CG 3.65Å
434R88.8Confident91.9Very high110 Ų11055.9 Ų55.942%0.41531%0.309SS..EExtended strand (participates in β ladder)trans-92.1112.5178.3-83.9-179.2169175.9-0.7110.6Y422 A438Y422-R434 HydrophobicContact CD1-CG 3.82Å; Y422-R434 HydrophobicContact CE1-CG 3.42Å; Y422-R434 VanDerWaalsContact CE1-CG 3.42Å; Y422-R434 VanDerWaalsContact CE1-NE 3.33Å; Y422-R434 PolarHBondContact OH-NE 3.07Å; Y422-R434 PolarHBondContact OH-NH2 3.35Å; R434-A438 WeakPolarHBondContact O-CB 3.32Å
435G88.7Confident91.9Very high1 Ų156.2 Ų56.21%0.0130%0.303CS..SBendtrans84.9157.8175.300000115.2G418 M421 K437 F439G418-G435 WeakPolarHBondContact O-CA 3.31Å; M421-G435 PolarHBondContact O-N 3.24Å; G435-K437 VanDerWaalsContact C-N 3.33Å; G435-K437 PolarHBondContact O-N 3.46Å; G435-F439 WeakPolarHBondContact O-CB 3.4Å; G435-F439 PolarHBondContact O-N 3.37Å
436P88.8Confident91.7Very high47 Ų4764.8 Ų64.831%0.30534%0.336SS..Hα-helixtrans-63.1-36.4-174.2-21.832.6000113.4Y423 F439 Q440Y423-P436 HydrophobicContact CE2-CB 4.45Å; Y423-P436 HydrophobicContact CE2-CG 4.05Å; P436-F439 CarbonylContact O-C 3.57Å; P436-F439 PolarHBondContact O-N 2.87Å; P436-Q440 WeakPolarHBondContact O-CG 3.42Å; P436-Q440 PolarHBondContact O-N 2.94Å
437K87.2Confident91.6Very high123 Ų12367.3 Ų67.354%0.53534%0.342SS..Hα-helixtrans-65.6-50.9-177.4-172.3174.6-179.5176.10112G435 F439 Q440 Q441G435-K437 VanDerWaalsContact C-N 3.33Å; G435-K437 PolarHBondContact O-N 3.46Å; K437-F439 PolarHBondContact O-N 2.9Å; K437-Q440 PolarHBondContact O-N 2.85Å; K437-Q441 PolarHBondContact O-N 3.1Å
438A89.1Confident91.6Very high35 Ų3566.7 Ų66.729%0.28934%0.339SS..Hα-helixtrans-59.5-37.8174.800000111.3R434 Q440 H442R434-A438 WeakPolarHBondContact O-CB 3.32Å; A438-Q440 VanDerWaalsContact C-N 3.33Å; A438-Q440 PolarHBondContact O-N 2.84Å; A438-H442 PolarHBondContact O-N 3.34Å; A438-H442 VanDerWaalsContact O-N 3.08Å
439F93.1Very high91.5Very high27 Ų2767.1 Ų67.112%0.11834%0.343CS..Hα-helixtrans-73.1-17.5175.3-170.2-108.2000114.3Y423 C425 Y433 G435 P436 K437 H442 F443 T467Y423-F439 HydrophobicContact CD1-CD1 4.08Å; Y423-F439 HydrophobicContact CD1-CE1 4.26Å; Y423-F439 HydrophobicContact CD1-CG 4.41Å; Y423-F439 HydrophobicContact CD2-CB 4.06Å; Y423-F439 HydrophobicContact CD2-CG 4.31Å; Y423-F439 HydrophobicContact CG-CB 4.08Å; Y423-F439 AromaticContact CG-CD1 3.96Å; Y423-F439 HydrophobicContact CG-CD1 3.96Å; Y423-F439 HydrophobicContact CG-CD2 4.22Å; Y423-F439 HydrophobicContact CG-CE1 4.41Å; Y423-F439 AromaticContact CG-CG 3.81Å; Y423-F439 HydrophobicContact CG-CG 3.81Å; C425-F439 HydrophobicContact CB-CE2 4.23Å; Y433-F439 AromaticContact CD2-CD2 3.93Å; Y433-F439 HydrophobicContact CD2-CD2 3.93Å; Y433-F439 HydrophobicContact CD2-CE2 4.43Å; Y433-F439 HydrophobicContact CG-CD2 4.2Å; G435-F439 WeakPolarHBondContact O-CB 3.4Å; G435-F439 PolarHBondContact O-N 3.37Å; P436-F439 CarbonylContact O-C 3.57Å; P436-F439 PolarHBondContact O-N 2.87Å; K437-F439 PolarHBondContact O-N 2.9Å; F439-H442 AromaticContact CD2-CE1 3.59Å; F439-H442 AromaticContact CD2-ND1 3.68Å; F439-H442 AromaticContact CE2-CE1 3.48Å; F439-H442 VanDerWaalsContact CE2-CE1 3.48Å; F439-H442 WeakPolarHBondContact CE2-CE1 3.38Å; F439-H442 AromaticContact CZ-CE1 3.95Å; F439-H442 PolarHBondContact O-CE1 3.45Å; F439-H442 PolarHBondContact O-ND1 3.11Å; F439-F443 HydrophobicContact CE1-CE2 4.4Å; F439-F443 HydrophobicContact CE1-CZ 4.44Å; F439-F443 WeakPolarHBondContact O-CE2 3.32Å; F439-T467 HydrophobicContact CE1-CG2 4.24Å; F439-T467 HydrophobicContact CE2-CG2 4.41Å; F439-T467 HydrophobicContact CZ-CG2 3.52Å
440Q91.7Very high91.6Very high111 Ų11167.8 Ų67.852%0.51933%0.329SS..Hα-helixtrans-84.9-41.6170.5-78.3177.7-20.200110.9P436 K437 A438 H442 F443P436-Q440 WeakPolarHBondContact O-CG 3.42Å; P436-Q440 PolarHBondContact O-N 2.94Å; K437-Q440 PolarHBondContact O-N 2.85Å; A438-Q440 VanDerWaalsContact C-N 3.33Å; A438-Q440 PolarHBondContact O-N 2.84Å; Q440-H442 VanDerWaalsContact C-N 3.26Å; Q440-H442 PolarHBondContact O-N 2.86Å; Q440-F443 WeakPolarHBondContact O-CD2 3.43Å; Q440-F443 PolarHBondContact O-N 3.35Å
441Q90.8Very high91.7Very high75 Ų7563.2 Ų63.235%0.3531%0.307SS..Hα-helixtrans-64.1-30.6178.7-71-179-25.800112.5E369 K437 F443 S444 E445E369-Q441 PolarHBondContact OE1-NE2 3.28Å; K437-Q441 PolarHBondContact O-N 3.1Å; Q441-F443 PolarHBondContact O-N 2.89Å; Q441-S444 PolarHBondContact O-N 3.43Å; Q441-S444 VanDerWaalsContact O-N 3.11Å; Q441-S444 PolarHBondContact O-OG 3.1Å; Q441-E445 PolarHBondContact O-N 3.28Å
442H94.1Very high91.9Very high0 Ų059.4 Ų59.40%029%0.289CS..THydrogen-bonded Turntrans-60.8-21.4-17994.8-75.2000115.1C425 Y433 A438 F439 Q440 S444 E445 H448C425-H442 WeakPolarHBondContact CB-NE2 3.44Å; C425-H442 PolarHBondContact SG-NE2 3.25Å; Y433-H442 HydrophobicContact CD1-CB 3.91Å; Y433-H442 HydrophobicContact CE1-CB 3.31Å; Y433-H442 HydrophobicContact CE2-CB 3.99Å; Y433-H442 AromaticContact CE2-CD2 3.66Å; Y433-H442 AromaticContact CE2-CG 3.77Å; Y433-H442 HydrophobicContact CG-CB 4.47Å; Y433-H442 AromaticContact CZ-CD2 3.73Å; Y433-H442 AromaticContact CZ-CG 3.65Å; A438-H442 PolarHBondContact O-N 3.34Å; A438-H442 VanDerWaalsContact O-N 3.08Å; F439-H442 AromaticContact CD2-CE1 3.59Å; F439-H442 AromaticContact CD2-ND1 3.68Å; F439-H442 AromaticContact CE2-CE1 3.48Å; F439-H442 VanDerWaalsContact CE2-CE1 3.48Å; F439-H442 WeakPolarHBondContact CE2-CE1 3.38Å; F439-H442 AromaticContact CZ-CE1 3.95Å; F439-H442 PolarHBondContact O-CE1 3.45Å; F439-H442 PolarHBondContact O-ND1 3.11Å; Q440-H442 VanDerWaalsContact C-N 3.26Å; Q440-H442 PolarHBondContact O-N 2.86Å; H442-S444 VanDerWaalsContact C-N 3.27Å; H442-S444 PolarHBondContact O-N 3.25Å; H442-E445 WeakPolarHBondContact O-CB 3.33Å; H442-E445 PolarHBondContact O-N 2.89Å; H442-H448 AromaticContact CD2-ND1 3.71Å; H442-H448 AromaticContact NE2-ND1 3.53Å; H442-H448 WeakPolarHBondContact O-CB 3.25Å
443F94Very high91.9Very high21 Ų2163.5 Ų63.59%0.09230%0.296CS..THydrogen-bonded Turntrans-66.8-27.8178.3-72.1-72.9000112.8F439 Q440 Q441 H448 N459 T467F439-F443 HydrophobicContact CE1-CE2 4.4Å; F439-F443 HydrophobicContact CE1-CZ 4.44Å; F439-F443 WeakPolarHBondContact O-CE2 3.32Å; Q440-F443 WeakPolarHBondContact O-CD2 3.43Å; Q440-F443 PolarHBondContact O-N 3.35Å; Q441-F443 PolarHBondContact O-N 2.89Å; F443-H448 AromaticContact CD1-CE1 3.52Å; F443-H448 AromaticContact CD1-NE2 3.53Å; F443-H448 AromaticContact CE1-CE1 3.7Å; F443-N459 PolarHBondContact O-ND2 3.24Å; F443-T467 HydrophobicContact CZ-CG2 4.07Å
444S91.1Very high92Very high94 Ų9466.9 Ų66.966%0.65732%0.321SS*.THydrogen-bonded Turntrans-94-12174.758.20000113.2Q441 H442Q441-S444 PolarHBondContact O-N 3.43Å; Q441-S444 VanDerWaalsContact O-N 3.11Å; Q441-S444 PolarHBondContact O-OG 3.1Å; H442-S444 VanDerWaalsContact C-N 3.27Å; H442-S444 PolarHBondContact O-N 3.25Å
445E91.9Very high92.3Very high78 Ų7864.1 Ų64.136%0.36431%0.314SS..SBendtrans-64.6150.1177.4-73.2176.1-169.700112.6Q441 H442 R447 H448 A449Q441-E445 PolarHBondContact O-N 3.28Å; H442-E445 WeakPolarHBondContact O-CB 3.33Å; H442-E445 PolarHBondContact O-N 2.89Å; E445-R447 PolarHBondContact O-N 3.34Å; E445-R447 VanDerWaalsContact O-N 3.12Å; E445-H448 PolarHBondContact O-N 3.44Å; E445-H448 VanDerWaalsContact O-N 3.14Å; E445-A449 PolarHBondContact O-N 3.1Å
446W93Very high92.4Very high181 Ų18166.6 Ų66.669%0.68634%0.34SS*.Hα-helixtrans-52.6-37.817917992.5000113.3A449 H450W446-A449 PolarHBondContact O-N 3.36Å; W446-H450 HydrophobicContact CH2-CB 4.41Å; W446-H450 HydrophobicContact CZ2-CB 4.42Å; W446-H450 HydrophobicContact CZ3-CB 4.47Å; W446-H450 VanDerWaalsContact O-CB 3.24Å; W446-H450 WeakPolarHBondContact O-CB 3.44Å; W446-H450 PolarHBondContact O-N 3.41Å
447R92.2Very high92.7Very high128 Ų12864.5 Ų64.548%0.48333%0.326SS..Hα-helixtrans-62.8-45.5-178.7-176.7-178.5-67.3-91.2-1.6111.8C428 E445 H450 G451C428-R447 HydrophobicContact CB-CG 4.3Å; E445-R447 PolarHBondContact O-N 3.34Å; E445-R447 VanDerWaalsContact O-N 3.12Å; R447-H450 PolarHBondContact O-N 2.87Å; R447-G451 PolarHBondContact O-N 2.78Å
448H94.6Very high92.8Very high0 Ų061.5 Ų61.50%032%0.32CS..Hα-helixtrans-70.6-43.3178.5-169.391.5000111H442 F443 E445 H450 G451 M452H442-H448 AromaticContact CD2-ND1 3.71Å; H442-H448 AromaticContact NE2-ND1 3.53Å; H442-H448 WeakPolarHBondContact O-CB 3.25Å; F443-H448 AromaticContact CD1-CE1 3.52Å; F443-H448 AromaticContact CD1-NE2 3.53Å; F443-H448 AromaticContact CE1-CE1 3.7Å; E445-H448 PolarHBondContact O-N 3.44Å; E445-H448 VanDerWaalsContact O-N 3.14Å; H448-H450 VanDerWaalsContact C-N 3.25Å; H448-H450 PolarHBondContact O-N 3.28Å; H448-G451 PolarHBondContact O-N 2.92Å; H448-G451 VanDerWaalsContact O-N 3.12Å; H448-M452 WeakPolarHBondContact O-CG 3.45Å; H448-M452 PolarHBondContact O-N 3.17Å
449A93.1Very high92.8Very high21 Ų2163.1 Ų63.117%0.17432%0.323CS..Hα-helixtrans-58.5-38175.100000112.4E445 W446 R453 N459E445-A449 PolarHBondContact O-N 3.1Å; W446-A449 PolarHBondContact O-N 3.36Å; A449-R453 WeakPolarHBondContact O-CB 3.44Å; A449-R453 PolarHBondContact O-N 3.01Å; A449-N459 WeakPolarHBondContact CB-ND2 3.44Å
450H93Very high92.6Very high78 Ų7864.7 Ų64.736%0.36134%0.335SS..Hα-helixtrans-68.2-43.4174.6-173.367.5000111.9W446 R447 H448 M452 R453 C454W446-H450 HydrophobicContact CH2-CB 4.41Å; W446-H450 HydrophobicContact CZ2-CB 4.42Å; W446-H450 HydrophobicContact CZ3-CB 4.47Å; W446-H450 VanDerWaalsContact O-CB 3.24Å; W446-H450 WeakPolarHBondContact O-CB 3.44Å; W446-H450 PolarHBondContact O-N 3.41Å; R447-H450 PolarHBondContact O-N 2.87Å; H448-H450 VanDerWaalsContact C-N 3.25Å; H448-H450 PolarHBondContact O-N 3.28Å; H450-M452 VanDerWaalsContact C-N 3.35Å; H450-M452 PolarHBondContact O-N 3.43Å; H450-R453 WeakPolarHBondContact O-CB 3.37Å; H450-R453 PolarHBondContact O-N 3.27Å; H450-C454 PolarHBondContact O-N 3.44Å; H450-C454 PolarHBondContact O-SG 2.94Å; H450-C454 VanDerWaalsContact O-SG 3.32Å
451G94.9Very high92.5Very high12 Ų1265.1 Ų65.112%0.12434%0.34CS..Hα-helixtrans-56.5-46.5173.300000112.5R447 H448 R453 C454 L455R447-G451 PolarHBondContact O-N 2.78Å; H448-G451 PolarHBondContact O-N 2.92Å; H448-G451 VanDerWaalsContact O-N 3.12Å; G451-R453 PolarHBondContact O-N 2.8Å; G451-C454 PolarHBondContact O-N 3.43Å; G451-L455 WeakPolarHBondContact O-CG 3.4Å; G451-L455 PolarHBondContact O-N 2.9Å
452M95.2Very high92.4Very high0 Ų067.6 Ų67.60%035%0.351CS..Hα-helixtrans-61.6-41.5175.4-69.1-62.6-78.400112.5I427 H448 H450 C454 L455 G456 I457 N459 F463I427-M452 HydrophobicContact CD1-SD 3.98Å; I427-M452 HydrophobicContact CG2-CG 4.25Å; I427-M452 HydrophobicContact CG2-SD 4.11Å; H448-M452 WeakPolarHBondContact O-CG 3.45Å; H448-M452 PolarHBondContact O-N 3.17Å; H450-M452 VanDerWaalsContact C-N 3.35Å; H450-M452 PolarHBondContact O-N 3.43Å; M452-C454 PolarHBondContact O-N 3.18Å; M452-L455 PolarHBondContact O-N 3.15Å; M452-G456 PolarHBondContact O-N 2.97Å; M452-I457 CarbonylContact C-O 3.55Å; M452-I457 HydrophobicContact CE-CB 3.82Å; M452-I457 HydrophobicContact CE-CD1 4.43Å; M452-I457 HydrophobicContact CE-CG2 3.42Å; M452-I457 VanDerWaalsContact CE-CG2 3.42Å; M452-I457 PolarHBondContact O-N 3Å; M452-I457 VanDerWaalsContact O-O 3.09Å; M452-N459 HydrophobicContact CB-CB 4.3Å; M452-F463 HydrophobicContact CE-CB 3.59Å; M452-F463 HydrophobicContact CE-CD1 3.73Å; M452-F463 HydrophobicContact CE-CD2 3.94Å; M452-F463 HydrophobicContact CE-CE1 4.42Å; M452-F463 HydrophobicContact CE-CG 3.46Å; M452-F463 VanDerWaalsContact CE-CG 3.46Å
453R93.4Very high92.3Very high170 Ų17067.7 Ų67.764%0.64235%0.352SS*.Hα-helixtrans-62.8-40.2176.2-170-176.9-62153.73.3112.2A449 H450 G451 L455 G456A449-R453 WeakPolarHBondContact O-CB 3.44Å; A449-R453 PolarHBondContact O-N 3.01Å; H450-R453 WeakPolarHBondContact O-CB 3.37Å; H450-R453 PolarHBondContact O-N 3.27Å; G451-R453 PolarHBondContact O-N 2.8Å; R453-L455 VanDerWaalsContact C-N 3.26Å; R453-L455 PolarHBondContact O-N 3.31Å; R453-G456 PolarHBondContact O-N 3.08Å
454C94Very high92Very high92 Ų9268.8 Ų68.862%0.62236%0.364SS*.Hα-helixtrans-65-29.5175.8-69.60000112.7H450 G451 M452 G456H450-C454 PolarHBondContact O-N 3.44Å; H450-C454 PolarHBondContact O-SG 2.94Å; H450-C454 VanDerWaalsContact O-SG 3.32Å; G451-C454 PolarHBondContact O-N 3.43Å; M452-C454 PolarHBondContact O-N 3.18Å; C454-G456 VanDerWaalsContact C-N 3.27Å
455L93.7Very high92Very high52 Ų5270.4 Ų70.427%0.27236%0.361SS..THydrogen-bonded Turntrans-80-5.5173.1-63.9172.2000113.5I427 G451 M452 R453 I457 I469I427-L455 HydrophobicContact CG1-CD1 4.3Å; I427-L455 HydrophobicContact CG2-CD1 4.39Å; G451-L455 WeakPolarHBondContact O-CG 3.4Å; G451-L455 PolarHBondContact O-N 2.9Å; M452-L455 PolarHBondContact O-N 3.15Å; R453-L455 VanDerWaalsContact C-N 3.26Å; R453-L455 PolarHBondContact O-N 3.31Å; L455-I457 VanDerWaalsContact C-N 3.3Å; L455-I457 HydrophobicContact CB-CD1 4.07Å; L455-I457 HydrophobicContact CB-CG1 4.07Å; L455-I457 HydrophobicContact CD1-CD1 4.48Å; L455-I469 HydrophobicContact CD1-CG1 4.37Å; L455-I469 HydrophobicContact CD1-CG2 4.17Å; L455-I469 HydrophobicContact CD2-CG2 3.67Å
456G92.5Very high92Very high53 Ų5367.6 Ų67.655%0.54635%0.349SS..THydrogen-bonded Turntrans72.421.5-175.200000113.8M452 R453 C454M452-G456 PolarHBondContact O-N 2.97Å; R453-G456 PolarHBondContact O-N 3.08Å; C454-G456 VanDerWaalsContact C-N 3.27Å
457I93.3Very high92Very high4 Ų460.6 Ų60.62%0.02133%0.326CS..  trans-106.9128-179.1-54.5175.5000109.3M452 L455 N459 F463 A472 L473 W476M452-I457 CarbonylContact C-O 3.55Å; M452-I457 HydrophobicContact CE-CB 3.82Å; M452-I457 HydrophobicContact CE-CD1 4.43Å; M452-I457 HydrophobicContact CE-CG2 3.42Å; M452-I457 VanDerWaalsContact CE-CG2 3.42Å; M452-I457 PolarHBondContact O-N 3Å; M452-I457 VanDerWaalsContact O-O 3.09Å; L455-I457 VanDerWaalsContact C-N 3.3Å; L455-I457 HydrophobicContact CB-CD1 4.07Å; L455-I457 HydrophobicContact CB-CG1 4.07Å; L455-I457 HydrophobicContact CD1-CD1 4.48Å; I457-N459 PolarHBondContact O-N 3.38Å; I457-F463 HydrophobicContact CG2-CD1 4.06Å; I457-F463 HydrophobicContact CG2-CD2 3.94Å; I457-F463 HydrophobicContact CG2-CE1 3.55Å; I457-F463 HydrophobicContact CG2-CE2 3.41Å; I457-F463 VanDerWaalsContact CG2-CE2 3.41Å; I457-F463 HydrophobicContact CG2-CG 4.24Å; I457-F463 HydrophobicContact CG2-CZ 3.21Å; I457-A472 HydrophobicContact CD1-CB 3.75Å; I457-L473 HydrophobicContact CD1-CD2 4.21Å; I457-W476 HydrophobicContact CD1-CB 4.16Å; I457-W476 HydrophobicContact CG1-CB 4.1Å; I457-W476 HydrophobicContact CG1-CG 4.02Å; I457-W476 HydrophobicContact CG2-CB 4.29Å; I457-W476 HydrophobicContact CG2-CD2 4.27Å; I457-W476 HydrophobicContact CG2-CE3 4.39Å; I457-W476 HydrophobicContact CG2-CG 4.25Å
458P90.8Very high92.2Very high60 Ų6059.2 Ų59.239%0.3932%0.324SS..  trans-64.7127.1172.8-20.632.9000111.8T460 F463 W476P458-T460 HydrophobicContact CB-CG2 4.18Å; P458-T460 PolarHBondContact O-N 3.01Å; P458-F463 WeakPolarHBondContact O-CD2 3.4Å; P458-W476 HydrophobicContact CG-CH2 3.52Å; P458-W476 HydrophobicContact CG-CZ2 4.04Å; P458-W476 HydrophobicContact CG-CZ3 3.97Å
459N88.8Confident92.2Very high69 Ų6961.6 Ų61.637%0.36934%0.336SS..  trans-71.696.9176.9-165.222.9000110.1F443 A449 M452 I457F443-N459 PolarHBondContact O-ND2 3.24Å; A449-N459 WeakPolarHBondContact CB-ND2 3.44Å; M452-N459 HydrophobicContact CB-CB 4.3Å; I457-N459 PolarHBondContact O-N 3.38Å
460T89.7Confident92.3Very high60 Ų6068 Ų6837%0.36836%0.362SS..  trans-131.5162.4-177.257.60000109.6P458 H462 F463P458-T460 HydrophobicContact CB-CG2 4.18Å; P458-T460 PolarHBondContact O-N 3.01Å; T460-H462 PolarHBondContact O-N 3.06Å; T460-F463 PolarHBondContact O-N 3.41Å; T460-F463 WeakPolarHBondContact OG1-CD2 3.38Å
461I88.9Confident92.3Very high120 Ų12068.5 Ų68.562%0.61537%0.365SS*.G310 helixtrans-53.7-26.2-180-68.6169.7000112.7I363 F463 A464I363-I461 HydrophobicContact CD1-CD1 3.72Å; I363-I461 HydrophobicContact CG2-CD1 4.11Å; I461-F463 PolarHBondContact O-N 2.92Å; I461-F463 VanDerWaalsContact O-N 3.13Å; I461-A464 VanDerWaalsContact O-CB 3.26Å; I461-A464 WeakPolarHBondContact O-CB 3.48Å; I461-A464 PolarHBondContact O-N 3.29Å
462H88.6Confident92.3Very high127 Ų12768 Ų6859%0.58836%0.359SS*.G310 helixtrans-58-25.8175.4-59.2-60.2000113.9T460 L475 I479T460-H462 PolarHBondContact O-N 3.06Å; H462-L475 WeakPolarHBondContact O-CD2 3.27Å; H462-I479 HydrophobicContact CB-CD1 3.98Å
463F91.9Very high92.3Very high2 Ų271.5 Ų71.51%0.00938%0.378CS..G310 helixtrans-99.68.2-179.8-61.6-81.6000113.1M452 I457 P458 T460 I461 H465 V466 L475 W476 I479M452-F463 HydrophobicContact CE-CB 3.59Å; M452-F463 HydrophobicContact CE-CD1 3.73Å; M452-F463 HydrophobicContact CE-CD2 3.94Å; M452-F463 HydrophobicContact CE-CE1 4.42Å; M452-F463 HydrophobicContact CE-CG 3.46Å; M452-F463 VanDerWaalsContact CE-CG 3.46Å; I457-F463 HydrophobicContact CG2-CD1 4.06Å; I457-F463 HydrophobicContact CG2-CD2 3.94Å; I457-F463 HydrophobicContact CG2-CE1 3.55Å; I457-F463 HydrophobicContact CG2-CE2 3.41Å; I457-F463 VanDerWaalsContact CG2-CE2 3.41Å; I457-F463 HydrophobicContact CG2-CG 4.24Å; I457-F463 HydrophobicContact CG2-CZ 3.21Å; P458-F463 WeakPolarHBondContact O-CD2 3.4Å; T460-F463 PolarHBondContact O-N 3.41Å; T460-F463 WeakPolarHBondContact OG1-CD2 3.38Å; I461-F463 PolarHBondContact O-N 2.92Å; I461-F463 VanDerWaalsContact O-N 3.13Å; F463-H465 PolarHBondContact O-N 3.49Å; F463-V466 WeakPolarHBondContact O-CB 3.35Å; F463-V466 PolarHBondContact O-N 3.43Å; F463-V466 VanDerWaalsContact O-N 3.16Å; F463-L475 HydrophobicContact CD1-CD2 3.82Å; F463-L475 HydrophobicContact CD1-CG 4.44Å; F463-L475 HydrophobicContact CE1-CB 4.1Å; F463-L475 HydrophobicContact CE1-CD2 3.86Å; F463-L475 HydrophobicContact CE1-CG 3.97Å; F463-W476 HydrophobicContact CE1-CB 4.18Å; F463-W476 HydrophobicContact CE2-CE3 4.26Å; F463-W476 HydrophobicContact CZ-CB 4Å; F463-W476 HydrophobicContact CZ-CD2 4.44Å; F463-W476 AromaticContact CZ-CE3 3.84Å; F463-W476 HydrophobicContact CZ-CE3 3.84Å; F463-I479 HydrophobicContact CE2-CD1 4.38Å; F463-I479 HydrophobicContact CZ-CD1 4.06Å
464A88.1Confident92.3Very high44 Ų4465.1 Ų65.136%0.36436%0.361SS..THydrogen-bonded Turntrans-58.2137.3172.900000110.2I461 V466I461-A464 VanDerWaalsContact O-CB 3.26Å; I461-A464 WeakPolarHBondContact O-CB 3.48Å; I461-A464 PolarHBondContact O-N 3.29Å; A464-V466 PolarHBondContact O-N 3.33Å
465H90.2Very high92.3Very high128 Ų12862.9 Ų62.959%0.59334%0.343SS*.THydrogen-bonded Turntrans69.32-176.4-49.3-67000116.5F463 T467F463-H465 PolarHBondContact O-N 3.49Å; H465-T467 PolarHBondContact O-N 3.02Å
466V92.7Very high92.3Very high19 Ų1963.6 Ų63.612%0.11534%0.342CS..  trans-84.5115.5174.9-175.20000109.5I427 F463 A464 E471 A472 L475I427-V466 VanDerWaalsContact CD1-O 3.26Å; I427-V466 WeakPolarHBondContact CD1-O 3.46Å; F463-V466 WeakPolarHBondContact O-CB 3.35Å; F463-V466 PolarHBondContact O-N 3.43Å; F463-V466 VanDerWaalsContact O-N 3.16Å; A464-V466 PolarHBondContact O-N 3.33Å; V466-E471 HydrophobicContact CG1-CB 4.08Å; V466-A472 HydrophobicContact CG1-CB 3.77Å; V466-L475 HydrophobicContact CG2-CD2 4.18Å
467T93Very high92.3Very high33 Ų3367.6 Ų67.620%0.20235%0.347CS..  trans-110.5-26.3-175.359.30000112.9E426 I427 F439 F443 H465E426-T467 WeakPolarHBondContact CB-O 3.35Å; E426-T467 PolarHBondContact N-O 3.26Å; E426-T467 VanDerWaalsContact N-O 3.1Å; I427-T467 PolarHBondContact N-O 2.71Å; F439-T467 HydrophobicContact CE1-CG2 4.24Å; F439-T467 HydrophobicContact CE2-CG2 4.41Å; F439-T467 HydrophobicContact CZ-CG2 3.52Å; F443-T467 HydrophobicContact CZ-CG2 4.07Å; H465-T467 PolarHBondContact O-N 3.02Å
468K95.5Very high92.3Very high99 Ų9975.3 Ų75.343%0.4338%0.376SS..  trans-90.5142-179.9-59.8-166.8-158.9137.40112.1E426 E471 A472E426-K468 WeakPolarHBondContact OE2-CA 3.44Å; E426-K468 WeakPolarHBondContact OE2-CB 3.38Å; K468-E471 HydrophobicContact CB-CB 4.25Å; K468-E471 HydrophobicContact CB-CG 4.08Å; K468-E471 HydrophobicContact CD-CG 4.5Å; K468-E471 WeakPolarHBondContact CD-OE1 3.27Å; K468-E471 WeakPolarHBondContact CE-OE1 3.22Å; K468-E471 IonicContact NZ-OE1 3.97Å; K468-E471 PolarHBondContact NZ-OE1 3.3Å; K468-E471 PolarHBondContact O-N 3.09Å; K468-A472 PolarHBondContact O-N 2.98Å
469I94.3Very high92.2Very high50 Ų5073.8 Ų73.826%0.25636%0.364SS..Hα-helixtrans-67.6-41.8-177.7-64.7173.5000111.1E426 I427 L455 E471 A472 L473E426-I469 HydrophobicContact CB-CG1 4.5Å; E426-I469 HydrophobicContact CG-CD1 4.04Å; E426-I469 HydrophobicContact CG-CG1 4.1Å; E426-I469 PolarHBondContact OE2-N 2.93Å; E426-I469 VanDerWaalsContact OE2-N 3.08Å; I427-I469 HydrophobicContact CG1-CG1 4.08Å; L455-I469 HydrophobicContact CD1-CG1 4.37Å; L455-I469 HydrophobicContact CD1-CG2 4.17Å; L455-I469 HydrophobicContact CD2-CG2 3.67Å; I469-E471 VanDerWaalsContact C-N 3.34Å; I469-E471 PolarHBondContact O-N 2.88Å; I469-A472 PolarHBondContact O-N 3.19Å; I469-L473 HydrophobicContact CG2-CD1 4.07Å; I469-L473 WeakPolarHBondContact O-CG 3.12Å; I469-L473 PolarHBondContact O-N 2.94Å; I469-L473 VanDerWaalsContact O-N 3.08Å
470E95.3Very high92.3Very high155 Ų15577.3 Ų77.372%0.72437%0.372SS*.Hα-helixtrans-61.6-41.8179.8-62.7-179.7169.600112.3L473 A474E470-L473 PolarHBondContact O-N 2.77Å; E470-A474 WeakPolarHBondContact O-CB 3.35Å; E470-A474 PolarHBondContact O-N 2.89Å
471E94.2Very high92.3Very high90 Ų9078.9 Ų78.942%0.42138%0.381SS..Hα-helixtrans-67.6-40.6179.6-67.5173.6-170.700111.1V466 K468 I469 A474 L475V466-E471 HydrophobicContact CG1-CB 4.08Å; K468-E471 HydrophobicContact CB-CB 4.25Å; K468-E471 HydrophobicContact CB-CG 4.08Å; K468-E471 HydrophobicContact CD-CG 4.5Å; K468-E471 WeakPolarHBondContact CD-OE1 3.27Å; K468-E471 WeakPolarHBondContact CE-OE1 3.22Å; K468-E471 IonicContact NZ-OE1 3.97Å; K468-E471 PolarHBondContact NZ-OE1 3.3Å; K468-E471 PolarHBondContact O-N 3.09Å; I469-E471 VanDerWaalsContact C-N 3.34Å; I469-E471 PolarHBondContact O-N 2.88Å; E471-A474 PolarHBondContact O-N 3.35Å; E471-L475 WeakPolarHBondContact O-CB 3.01Å; E471-L475 PolarHBondContact O-N 3Å
472A94.2Very high92.3Very high0 Ų079 Ų790%038%0.381CS..Hα-helixtrans-62.1-45.2176.300000112I427 I457 V466 K468 I469 L475 W476I427-A472 HydrophobicContact CD1-CB 4.34Å; I457-A472 HydrophobicContact CD1-CB 3.75Å; V466-A472 HydrophobicContact CG1-CB 3.77Å; K468-A472 PolarHBondContact O-N 2.98Å; I469-A472 PolarHBondContact O-N 3.19Å; A472-L475 PolarHBondContact O-N 2.69Å; A472-W476 WeakPolarHBondContact O-CB 3.3Å; A472-W476 PolarHBondContact O-N 3.25Å
473L94.6Very high92.1Very high74 Ų7479.4 Ų79.439%0.38738%0.381SS..Hα-helixtrans-65-43.2178-71.6170.4000112.2I457 I469 E470 W476 Q477I457-L473 HydrophobicContact CD1-CD2 4.21Å; I469-L473 HydrophobicContact CG2-CD1 4.07Å; I469-L473 WeakPolarHBondContact O-CG 3.12Å; I469-L473 PolarHBondContact O-N 2.94Å; I469-L473 VanDerWaalsContact O-N 3.08Å; E470-L473 PolarHBondContact O-N 2.77Å; L473-W476 PolarHBondContact O-N 3.3Å; L473-Q477 WeakPolarHBondContact O-CG 3.48Å; L473-Q477 PolarHBondContact O-N 3.13Å
474A94.5Very high91.8Very high36 Ų3683.4 Ų83.430%0.29840%0.4SS..Hα-helixtrans-64.2-40.4177.800000112.1E470 E471 R478E470-A474 WeakPolarHBondContact O-CB 3.35Å; E470-A474 PolarHBondContact O-N 2.89Å; E471-A474 PolarHBondContact O-N 3.35Å; A474-R478 WeakPolarHBondContact O-CG 3.47Å; A474-R478 PolarHBondContact O-N 2.8Å
475L92.8Very high91.5Very high45 Ų4585.2 Ų85.224%0.23642%0.415CS..Hα-helixtrans-65.9-43.9175.9-178.360.4000111.4H462 F463 V466 E471 A472 Q477 R478 I479H462-L475 WeakPolarHBondContact O-CD2 3.27Å; F463-L475 HydrophobicContact CD1-CD2 3.82Å; F463-L475 HydrophobicContact CD1-CG 4.44Å; F463-L475 HydrophobicContact CE1-CB 4.1Å; F463-L475 HydrophobicContact CE1-CD2 3.86Å; F463-L475 HydrophobicContact CE1-CG 3.97Å; V466-L475 HydrophobicContact CG2-CD2 4.18Å; E471-L475 WeakPolarHBondContact O-CB 3.01Å; E471-L475 PolarHBondContact O-N 3Å; A472-L475 PolarHBondContact O-N 2.69Å; L475-Q477 VanDerWaalsContact C-N 3.35Å; L475-Q477 PolarHBondContact O-N 2.76Å; L475-R478 PolarHBondContact O-N 3.36Å; L475-I479 HydrophobicContact CD1-CD1 4.26Å; L475-I479 HydrophobicContact CD1-CG1 4.46Å; L475-I479 HydrophobicContact CG-CD1 4.03Å; L475-I479 WeakPolarHBondContact O-CG1 3.49Å; L475-I479 PolarHBondContact O-N 2.76Å
476W93.7Very high91.2Very high67 Ų6786.6 Ų86.625%0.25442%0.421SS..Hα-helixtrans-61.5-42177.7-179.7-128.8000112.4I457 P458 F463 A472 L473 R478 I479 R480I457-W476 HydrophobicContact CD1-CB 4.16Å; I457-W476 HydrophobicContact CG1-CB 4.1Å; I457-W476 HydrophobicContact CG1-CG 4.02Å; I457-W476 HydrophobicContact CG2-CB 4.29Å; I457-W476 HydrophobicContact CG2-CD2 4.27Å; I457-W476 HydrophobicContact CG2-CE3 4.39Å; I457-W476 HydrophobicContact CG2-CG 4.25Å; P458-W476 HydrophobicContact CG-CH2 3.52Å; P458-W476 HydrophobicContact CG-CZ2 4.04Å; P458-W476 HydrophobicContact CG-CZ3 3.97Å; F463-W476 HydrophobicContact CE1-CB 4.18Å; F463-W476 HydrophobicContact CE2-CE3 4.26Å; F463-W476 HydrophobicContact CZ-CB 4Å; F463-W476 HydrophobicContact CZ-CD2 4.44Å; F463-W476 AromaticContact CZ-CE3 3.84Å; F463-W476 HydrophobicContact CZ-CE3 3.84Å; A472-W476 WeakPolarHBondContact O-CB 3.3Å; A472-W476 PolarHBondContact O-N 3.25Å; L473-W476 PolarHBondContact O-N 3.3Å; W476-R478 PolarHBondContact O-N 2.95Å; W476-I479 HydrophobicContact CE3-CB 4.44Å; W476-I479 HydrophobicContact CE3-CG2 4.42Å; W476-I479 HydrophobicContact CZ3-CG2 4.3Å; W476-I479 PolarHBondContact O-N 3.05Å; W476-R480 WeakPolarHBondContact O-CB 3.4Å; W476-R480 PolarHBondContact O-N 3.05Å
477Q93.7Very high90.7Very high137 Ų13794.7 Ų94.764%0.6445%0.45SS*.Hα-helixtrans-59-44.6174-78.3-177.5-16.100112.2L473 L475 R480 T481L473-Q477 WeakPolarHBondContact O-CG 3.48Å; L473-Q477 PolarHBondContact O-N 3.13Å; L475-Q477 VanDerWaalsContact C-N 3.35Å; L475-Q477 PolarHBondContact O-N 2.76Å; Q477-R480 PolarHBondContact O-N 3.17Å; Q477-T481 PolarHBondContact O-N 3.1Å; Q477-T481 PolarHBondContact O-OG1 3.27Å
478R92.4Very high90.1Very high167 Ų167100.2 Ų100.263%0.6347%0.467SS*.Hα-helixtrans-61.4-47.3176.8-69.8-177.8-141.81595.5112.1A474 L475 W476 R480 T481 M482A474-R478 WeakPolarHBondContact O-CG 3.47Å; A474-R478 PolarHBondContact O-N 2.8Å; L475-R478 PolarHBondContact O-N 3.36Å; W476-R478 PolarHBondContact O-N 2.95Å; R478-R480 VanDerWaalsContact C-N 3.29Å; R478-R480 PolarHBondContact O-N 3.05Å; R478-T481 PolarHBondContact O-N 3.04Å; R478-M482 WeakPolarHBondContact O-CG 3.3Å; R478-M482 PolarHBondContact O-N 3.03Å
479I89.6Confident89.3Confident28 Ų28101.9 Ų101.914%0.14447%0.471CS..Hα-helixtrans-60.6-41.5179.4-67.8171.6000110.6H462 F463 L475 W476 M482 K483H462-I479 HydrophobicContact CB-CD1 3.98Å; F463-I479 HydrophobicContact CE2-CD1 4.38Å; F463-I479 HydrophobicContact CZ-CD1 4.06Å; L475-I479 HydrophobicContact CD1-CD1 4.26Å; L475-I479 HydrophobicContact CD1-CG1 4.46Å; L475-I479 HydrophobicContact CG-CD1 4.03Å; L475-I479 WeakPolarHBondContact O-CG1 3.49Å; L475-I479 PolarHBondContact O-N 2.76Å; W476-I479 HydrophobicContact CE3-CB 4.44Å; W476-I479 HydrophobicContact CE3-CG2 4.42Å; W476-I479 HydrophobicContact CZ3-CG2 4.3Å; W476-I479 PolarHBondContact O-N 3.05Å; I479-M482 PolarHBondContact O-N 3.28Å; I479-K483 HydrophobicContact CG2-CD 4.38Å; I479-K483 PolarHBondContact O-N 2.96Å
480R90.1Very high88.5Confident143 Ų143101.8 Ų101.854%0.5447%0.473SS..Hα-helixtrans-64.4-44.9179.2-149.2-175.492.3-177.20.6111.8W476 Q477 R478 M482 K483 E484W476-R480 WeakPolarHBondContact O-CB 3.4Å; W476-R480 PolarHBondContact O-N 3.05Å; Q477-R480 PolarHBondContact O-N 3.17Å; R478-R480 VanDerWaalsContact C-N 3.29Å; R478-R480 PolarHBondContact O-N 3.05Å; R480-M482 PolarHBondContact O-N 2.93Å; R480-K483 PolarHBondContact O-N 2.91Å; R480-E484 IonicContact CZ-OE1 2.8Å; R480-E484 IonicContact NE-OE1 2.69Å; R480-E484 PolarHBondContact NE-OE1 3.44Å; R480-E484 IonicContact NH2-OE1 2.66Å; R480-E484 PolarHBondContact NH2-OE1 3.07Å; R480-E484 WeakPolarHBondContact O-CB 3.33Å; R480-E484 WeakPolarHBondContact O-CG 3.1Å; R480-E484 PolarHBondContact O-N 3.17Å
481T89.9Confident87.6Confident92 Ų92100.6 Ų100.656%0.56447%0.468SS*.Hα-helixtrans-62.9-41.2177.6-53.80000112.1Q477 R478 E484 A485Q477-T481 PolarHBondContact O-N 3.1Å; Q477-T481 PolarHBondContact O-OG1 3.27Å; R478-T481 PolarHBondContact O-N 3.04Å; T481-E484 PolarHBondContact O-N 3.26Å; T481-A485 WeakPolarHBondContact O-CB 3.32Å; T481-A485 PolarHBondContact O-N 3.48Å; T481-A485 VanDerWaalsContact O-N 3.08Å
482M88.7Confident86.9Confident123 Ų123100.9 Ų100.961%0.60648%0.476SS*.Hα-helixtrans-63.8-46.5176-69.9-177.276.200111.7R478 I479 R480 E484 A485 E486R478-M482 WeakPolarHBondContact O-CG 3.3Å; R478-M482 PolarHBondContact O-N 3.03Å; I479-M482 PolarHBondContact O-N 3.28Å; R480-M482 PolarHBondContact O-N 2.93Å; M482-E484 VanDerWaalsContact C-N 3.34Å; M482-E484 PolarHBondContact O-N 2.91Å; M482-A485 PolarHBondContact O-N 3.31Å; M482-A485 VanDerWaalsContact O-N 3.17Å; M482-E486 PolarHBondContact O-N 3.21Å; M482-E486 VanDerWaalsContact O-N 3.08Å
483K85.4Confident86.2Confident135 Ų135105.5 Ų105.559%0.58750%0.497SS*.Hα-helixtrans-64.5-35.3177.2-75.8-171.8175-1750113.2I479 R480 A485 R487I479-K483 HydrophobicContact CG2-CD 4.38Å; I479-K483 PolarHBondContact O-N 2.96Å; R480-K483 PolarHBondContact O-N 2.91Å; K483-A485 VanDerWaalsContact C-N 3.3Å; K483-R487 PolarHBondContact O-N 3.32Å
484E84.3Confident85.7Confident87 Ų87104.8 Ų104.841%0.40749%0.492SS..Hα-helixtrans-69.4-28.1175.4-78.4175.5-158.900112.6R480 T481 M482R480-E484 IonicContact CZ-OE1 2.8Å; R480-E484 IonicContact NE-OE1 2.69Å; R480-E484 PolarHBondContact NE-OE1 3.44Å; R480-E484 IonicContact NH2-OE1 2.66Å; R480-E484 PolarHBondContact NH2-OE1 3.07Å; R480-E484 WeakPolarHBondContact O-CB 3.33Å; R480-E484 WeakPolarHBondContact O-CG 3.1Å; R480-E484 PolarHBondContact O-N 3.17Å; T481-E484 PolarHBondContact O-N 3.26Å; M482-E484 VanDerWaalsContact C-N 3.34Å; M482-E484 PolarHBondContact O-N 2.91Å
485A83.6Confident85.3Confident82 Ų82110.2 Ų110.268%0.67851%0.511SS*.Hα-helixtrans-79.1-32.6176.300000113.3T481 M482 K483 R487T481-A485 WeakPolarHBondContact O-CB 3.32Å; T481-A485 PolarHBondContact O-N 3.48Å; T481-A485 VanDerWaalsContact O-N 3.08Å; M482-A485 PolarHBondContact O-N 3.31Å; M482-A485 VanDerWaalsContact O-N 3.17Å; K483-A485 VanDerWaalsContact C-N 3.3Å; A485-R487 VanDerWaalsContact C-N 3.33Å
486E82.7Confident84.9Confident156 Ų156110.7 Ų110.773%0.72951%0.513SS*.Hα-helixtrans-80.2-13176.9-71.5176.5172.800113.6M482 W488M482-E486 PolarHBondContact O-N 3.21Å; M482-E486 VanDerWaalsContact O-N 3.08Å; E486-W488 PolarHBondContact O-N 3.25Å; E486-W488 VanDerWaalsContact O-N 3.12Å
487R82.8Confident84.5Confident190 Ų190114.3 Ų114.372%0.71753%0.533SS*.SBendtrans-74.4105.1-175.5-174.1177.5-178.3-176.70.4110.9K483 A485 R489K483-R487 PolarHBondContact O-N 3.32Å; A485-R487 VanDerWaalsContact C-N 3.33Å; R487-R489 WeakPolarHBondContact O-CG 3.46Å; R487-R489 PolarHBondContact O-N 2.87Å
488W79.9Confident84.1Confident148 Ų148109.1 Ų109.156%0.56151%0.51SS*.  trans-50.6128173.2-174.372.5000111.7E486 P490 E493 E494E486-W488 PolarHBondContact O-N 3.25Å; E486-W488 VanDerWaalsContact O-N 3.12Å; W488-P490 HydrophobicContact CE3-CB 4.17Å; W488-P490 HydrophobicContact CE3-CG 3.77Å; W488-P490 HydrophobicContact CH2-CB 3.46Å; W488-P490 VanDerWaalsContact CH2-CB 3.46Å; W488-P490 HydrophobicContact CH2-CG 3.95Å; W488-P490 HydrophobicContact CZ2-CB 4.18Å; W488-P490 HydrophobicContact CZ3-CB 3.46Å; W488-P490 VanDerWaalsContact CZ3-CB 3.46Å; W488-P490 HydrophobicContact CZ3-CG 3.37Å; W488-P490 WeakPolarHBondContact O-CD 3.49Å; W488-E493 WeakPolarHBondContact CA-OE2 3.49Å; W488-E494 HydrophobicContact CH2-CB 4.39Å; W488-E494 HydrophobicContact CZ2-CB 4.03Å; W488-E494 HydrophobicContact CZ2-CG 4.46Å
489R78.4Confident83.7Confident135 Ų135106.2 Ų106.251%0.50952%0.515SS..  trans-113.195.3-178-61.4-171-172.4-167.92.1110.5R487 E491 V492 E493R487-R489 WeakPolarHBondContact O-CG 3.46Å; R487-R489 PolarHBondContact O-N 2.87Å; R489-E491 PolarHBondContact O-N 3.41Å; R489-E491 VanDerWaalsContact O-N 3.09Å; R489-V492 HydrophobicContact CB-CB 4.37Å; R489-V492 PolarHBondContact O-N 3.14Å; R489-E493 PolarHBondContact N-OE2 3.19Å; R489-E493 WeakPolarHBondContact O-CB 3.27Å; R489-E493 PolarHBondContact O-N 3.25Å
490P77.5Confident83.3Confident48 Ų48108.6 Ų108.631%0.31254%0.539SS..Hα-helixtrans-53-37.3-176.6-3.7-3.9000113.8W488 V492 E494W488-P490 HydrophobicContact CE3-CB 4.17Å; W488-P490 HydrophobicContact CE3-CG 3.77Å; W488-P490 HydrophobicContact CH2-CB 3.46Å; W488-P490 VanDerWaalsContact CH2-CB 3.46Å; W488-P490 HydrophobicContact CH2-CG 3.95Å; W488-P490 HydrophobicContact CZ2-CB 4.18Å; W488-P490 HydrophobicContact CZ3-CB 3.46Å; W488-P490 VanDerWaalsContact CZ3-CB 3.46Å; W488-P490 HydrophobicContact CZ3-CG 3.37Å; W488-P490 WeakPolarHBondContact O-CD 3.49Å; P490-V492 PolarHBondContact O-N 3.01Å; P490-E494 WeakPolarHBondContact O-CB 3.25Å; P490-E494 PolarHBondContact O-N 3.34Å
491E76.4Confident82.9Confident130 Ų130104.2 Ų104.261%0.60754%0.538SS*.Hα-helixtrans-62.8-27.8-179.4-63-179.5-171.200114R489 K507R489-E491 PolarHBondContact O-N 3.41Å; R489-E491 VanDerWaalsContact O-N 3.09Å; E491-K507 VanDerWaalsContact O-CB 3.3Å; E491-K507 WeakPolarHBondContact O-CB 3.41Å; E491-K507 PolarHBondContact O-N 3.46Å
492V80.2Confident82.7Confident96 Ų96104.2 Ų104.258%0.58254%0.535SS*.Hα-helixtrans-108.8-38.1-173.5-177.60000111.6R489 P490R489-V492 HydrophobicContact CB-CB 4.37Å; R489-V492 PolarHBondContact O-N 3.14Å; P490-V492 PolarHBondContact O-N 3.01Å
493E78.8Confident82.6Confident97 Ų97102 Ų10245%0.45353%0.528SS..Hα-helixtrans-101.6-13.3-169.5-66.5168.9-160.300113.5W488 R489W488-E493 WeakPolarHBondContact CA-OE2 3.49Å; R489-E493 PolarHBondContact N-OE2 3.19Å; R489-E493 WeakPolarHBondContact O-CB 3.27Å; R489-E493 PolarHBondContact O-N 3.25Å
494E83.8Confident82.7Confident58 Ų5896.9 Ų96.927%0.27151%0.508SS..  trans-83.7117.9174.3-165.8173.4-166.200109.9W488 P490 S505 R506W488-E494 HydrophobicContact CH2-CB 4.39Å; W488-E494 HydrophobicContact CZ2-CB 4.03Å; W488-E494 HydrophobicContact CZ2-CG 4.46Å; P490-E494 WeakPolarHBondContact O-CB 3.25Å; P490-E494 PolarHBondContact O-N 3.34Å; E494-S505 CarbonylContact O-C 3.56Å; E494-S505 WeakPolarHBondContact O-CA 3.44Å; E494-R506 HydrophobicContact CB-CB 4.11Å; E494-R506 PolarHBondContact O-N 2.89Å; E494-R506 IonicContact OE1-NH1 3.18Å; E494-R506 WeakPolarHBondContact OE2-CD 3.41Å; E494-R506 IonicContact OE2-CZ 3.84Å; E494-R506 IonicContact OE2-NE 2.74Å; E494-R506 IonicContact OE2-NH1 3.72Å; E494-R506 PolarHBondContact OE2-NH1 3.14Å
495E85.9Confident83Confident151 Ų15194.3 Ų94.371%0.70650%0.5SS*.EExtended strand (participates in β ladder)trans-96.5127-179.7-72-175.7173.800110.6V503E495-V503 HydrophobicContact CB-CG1 3.61Å; E495-V503 HydrophobicContact CG-CG1 3.93Å
496L84.8Confident83.1Confident54 Ų5494.8 Ų94.828%0.28348%0.484SS..EExtended strand (participates in β ladder)trans-121137.3179-66.2174.3000109.9V504 R506 Y509L496-V504 PolarHBondContact N-O 3.41Å; L496-V504 WeakPolarHBondContact O-CG2 3.32Å; L496-V504 PolarHBondContact O-N 3.05Å; L496-R506 HydrophobicContact CD1-CG 4.11Å; L496-R506 HydrophobicContact CD1-CB 4.1Å; L496-Y509 HydrophobicContact CB-CD2 3.78Å; L496-Y509 HydrophobicContact CB-CE2 4.34Å; L496-Y509 HydrophobicContact CB-CG 3.92Å; L496-Y509 HydrophobicContact CD1-CD1 3.67Å; L496-Y509 HydrophobicContact CD1-CD2 4.36Å; L496-Y509 HydrophobicContact CD1-CE1 4.34Å; L496-Y509 HydrophobicContact CD1-CG 3.69Å; L496-Y509 HydrophobicContact CG-CG 4.46Å
497E86.7Confident83.3Confident144 Ų14493 Ų9367%0.67347%0.474SS*.EExtended strand (participates in β ladder)trans-87.1133.3175.8-73.3178.9178.800111.4N502 V503E497-N502 WeakPolarHBondContact CA-O 3.26Å; E497-V503 HydrophobicContact CG-CG2 4.02Å
498D84.4Confident83.5Confident28 Ų2886.9 Ų86.915%0.1546%0.457CS..  trans-79.8173.8171.272.318.3000113.3A500 G501 N502 L518D498-A500 PolarHBondContact O-N 3.42Å; D498-A500 VanDerWaalsContact OD1-CA 3.28Å; D498-A500 WeakPolarHBondContact OD1-CA 3.27Å; D498-A500 WeakPolarHBondContact OD1-CB 3.44Å; D498-A500 PolarHBondContact OD1-N 3.5Å; D498-G501 PolarHBondContact O-N 3.45Å; D498-G501 VanDerWaalsContact O-N 3.07Å; D498-G501 PolarHBondContact OD1-N 3.3Å; D498-N502 WeakPolarHBondContact OD2-CB 3.49Å; D498-N502 PolarHBondContact OD2-ND2 3.19Å; D498-N502 VanDerWaalsContact OD2-CB 3.32Å; D498-N502 PolarHBondContact OD1-ND2 2.92Å; D498-N502 PolarHBondContact N-O 3.36Å; D498-N502 PolarHBondContact OD1-N 3.45Å; D498-L518 HydrophobicContact CB-CD2 3.31Å
499S83.2Confident83.9Confident105 Ų10582.8 Ų82.873%0.73444%0.442SS*.THydrogen-bonded Turntrans-64.8-14.1178.153.60000113.8L518S499-L518 PolarHBondContact OG-OXT 2.88Å
500A81.7Confident84.4Confident78 Ų7879.7 Ų79.765%0.64543%0.434SS*.THydrogen-bonded Turntrans-100.20.4175.700000113.2D498D498-A500 PolarHBondContact O-N 3.42Å; D498-A500 VanDerWaalsContact OD1-CA 3.28Å; D498-A500 WeakPolarHBondContact OD1-CA 3.27Å; D498-A500 WeakPolarHBondContact OD1-CB 3.44Å; D498-A500 PolarHBondContact OD1-N 3.5Å
501G82.6Confident85Confident51 Ų5180.5 Ų80.553%0.52644%0.435SS..SBendtrans81.815.3-179.800000115.4D498D498-G501 PolarHBondContact O-N 3.45Å; D498-G501 VanDerWaalsContact O-N 3.07Å; D498-G501 PolarHBondContact OD1-N 3.3Å
502N84.3Confident85.5Confident92 Ų9276.3 Ų76.349%0.49242%0.417SS..  trans-84.9137.4172.2-47.2-64.7000110.7E497 D498E497-N502 WeakPolarHBondContact CA-O 3.26Å; D498-N502 WeakPolarHBondContact OD2-CB 3.49Å; D498-N502 PolarHBondContact OD2-ND2 3.19Å; D498-N502 VanDerWaalsContact OD2-CB 3.32Å; D498-N502 PolarHBondContact OD1-ND2 2.92Å; D498-N502 PolarHBondContact N-O 3.36Å; D498-N502 PolarHBondContact OD1-N 3.45Å
503V86.8Confident85.9Confident77 Ų7778.4 Ų78.447%0.46742%0.418SS..EExtended strand (participates in β ladder)trans-88.5122176.8-176.40000109.5E495 E497E495-V503 HydrophobicContact CB-CG1 3.61Å; E495-V503 HydrophobicContact CG-CG1 3.93Å; E497-V503 HydrophobicContact CG-CG2 4.02Å
504V87.8Confident86.4Confident28 Ų2883 Ų8317%0.1743%0.432CS..EExtended strand (participates in β ladder)trans-130.4149.2179.5-70.40000110.8L496 T508 Y509 L512L496-V504 PolarHBondContact N-O 3.41Å; L496-V504 WeakPolarHBondContact O-CG2 3.32Å; L496-V504 PolarHBondContact O-N 3.05Å; V504-T508 HydrophobicContact CB-CG2 4.16Å; V504-T508 HydrophobicContact CG1-CG2 4.25Å; V504-Y509 HydrophobicContact CG2-CD2 3.87Å; V504-Y509 HydrophobicContact CG2-CG 4.37Å; V504-L512 HydrophobicContact CG1-CD1 4.42Å
505S90Very high86.8Confident33 Ų3386.6 Ų86.623%0.23145%0.448CS..EExtended strand (participates in β ladder)trans-62.7152.4173.966.80000110.9E494 K507 T508 Y509E494-S505 CarbonylContact O-C 3.56Å; E494-S505 WeakPolarHBondContact O-CA 3.44Å; S505-K507 VanDerWaalsContact C-N 3.26Å; S505-K507 PolarHBondContact O-N 3.44Å; S505-T508 CarbonylContact O-C 3.47Å; S505-T508 PolarHBondContact OG-OG1 2.88Å; S505-T508 PolarHBondContact O-N 3.26Å; S505-T508 WeakPolarHBondContact O-CB 3.32Å; S505-T508 WeakPolarHBondContact O-CA 3.47Å; S505-Y509 PolarHBondContact O-N 3.27Å
506R86.4Confident86.7Confident92 Ų9282.5 Ų82.535%0.34745%0.446SS..Hα-helixtrans-52-42.5-179.6175.4166.8-179.4169.65.4113.7E494 L496 T508 Y509 E510E494-R506 HydrophobicContact CB-CB 4.11Å; E494-R506 PolarHBondContact O-N 2.89Å; E494-R506 IonicContact OE1-NH1 3.18Å; E494-R506 WeakPolarHBondContact OE2-CD 3.41Å; E494-R506 IonicContact OE2-CZ 3.84Å; E494-R506 IonicContact OE2-NE 2.74Å; E494-R506 IonicContact OE2-NH1 3.72Å; E494-R506 PolarHBondContact OE2-NH1 3.14Å; L496-R506 HydrophobicContact CD1-CG 4.11Å; L496-R506 HydrophobicContact CD1-CB 4.1Å; R506-T508 VanDerWaalsContact C-N 3.32Å; R506-T508 PolarHBondContact O-N 3Å; R506-Y509 PolarHBondContact O-N 3.06Å; R506-E510 WeakPolarHBondContact O-CB 3.43Å; R506-E510 IonicContact NH2-OE1 3.83Å; R506-E510 PolarHBondContact O-N 3.31Å; R506-E510 WeakPolarHBondContact O-CG 3.25Å; R506-E510 IonicContact NE-OE1 3.76Å; R506-E510 IonicContact CZ-OE1 3.64Å; R506-E510 HydrophobicContact CG-CG 4.38Å; R506-E510 PolarHBondContact NE-OE1 3.36Å
507K87.4Confident86.5Confident118 Ų11885.4 Ų85.451%0.51346%0.461SS..Hα-helixtrans-58.8-45.8175.5-178.8177.9178.2179.20111.7E491 S505 E510 D511E491-K507 VanDerWaalsContact O-CB 3.3Å; E491-K507 WeakPolarHBondContact O-CB 3.41Å; E491-K507 PolarHBondContact O-N 3.46Å; S505-K507 VanDerWaalsContact C-N 3.26Å; S505-K507 PolarHBondContact O-N 3.44Å; K507-E510 PolarHBondContact O-N 3Å; K507-D511 WeakPolarHBondContact O-CB 3.42Å; K507-D511 PolarHBondContact O-N 3.5Å
508T87.1Confident85.8Confident61 Ų6182.1 Ų82.137%0.37445%0.448SS..Hα-helixtrans-65.6-42.2179.3-49.20000110.8V504 S505 R506 D511 L512V504-T508 HydrophobicContact CB-CG2 4.16Å; V504-T508 HydrophobicContact CG1-CG2 4.25Å; S505-T508 CarbonylContact O-C 3.47Å; S505-T508 PolarHBondContact OG-OG1 2.88Å; S505-T508 PolarHBondContact O-N 3.26Å; S505-T508 WeakPolarHBondContact O-CB 3.32Å; S505-T508 WeakPolarHBondContact O-CA 3.47Å; R506-T508 VanDerWaalsContact C-N 3.32Å; R506-T508 PolarHBondContact O-N 3Å; T508-D511 PolarHBondContact O-N 2.89Å; T508-L512 HydrophobicContact CG2-CD1 3.98Å; T508-L512 HydrophobicContact CG2-CG 4.36Å; T508-L512 WeakPolarHBondContact O-CB 3.36Å; T508-L512 WeakPolarHBondContact O-CG 3.12Å; T508-L512 PolarHBondContact O-N 3.29Å
509Y87.7Confident85.9Confident63 Ų6384.8 Ų84.825%0.24746%0.463CS..Hα-helixtrans-60.8-47.4175.7-172.2-88.9000111.9L496 V504 S505 R506 D511 L512 K513 L518L496-Y509 HydrophobicContact CB-CD2 3.78Å; L496-Y509 HydrophobicContact CB-CE2 4.34Å; L496-Y509 HydrophobicContact CB-CG 3.92Å; L496-Y509 HydrophobicContact CD1-CD1 3.67Å; L496-Y509 HydrophobicContact CD1-CD2 4.36Å; L496-Y509 HydrophobicContact CD1-CE1 4.34Å; L496-Y509 HydrophobicContact CD1-CG 3.69Å; L496-Y509 HydrophobicContact CG-CG 4.46Å; V504-Y509 HydrophobicContact CG2-CD2 3.87Å; V504-Y509 HydrophobicContact CG2-CG 4.37Å; S505-Y509 PolarHBondContact O-N 3.27Å; R506-Y509 PolarHBondContact O-N 3.06Å; Y509-D511 PolarHBondContact O-N 3.45Å; Y509-L512 PolarHBondContact O-N 3.04Å; Y509-K513 HydrophobicContact CE1-CD 4.36Å; Y509-K513 WeakPolarHBondContact O-CB 3.39Å; Y509-K513 PolarHBondContact O-N 3.49Å; Y509-L518 HydrophobicContact CD1-CD1 4.26Å; Y509-L518 HydrophobicContact CD2-CD1 3.73Å; Y509-L518 HydrophobicContact CE1-CD1 4.26Å; Y509-L518 HydrophobicContact CE2-CD1 3.74Å; Y509-L518 HydrophobicContact CG-CD1 4Å; Y509-L518 VanDerWaalsContact O-CD1 3.26Å; Y509-L518 WeakPolarHBondContact O-CD1 3.34Å
510E88.1Confident86.1Confident69 Ų6983.7 Ų83.732%0.32245%0.449SS..Hα-helixtrans-65.2-38.2177.9-72.8-177-168.600112R506 K507 K513 R514R506-E510 WeakPolarHBondContact O-CB 3.43Å; R506-E510 IonicContact NH2-OE1 3.83Å; R506-E510 PolarHBondContact O-N 3.31Å; R506-E510 WeakPolarHBondContact O-CG 3.25Å; R506-E510 IonicContact NE-OE1 3.76Å; R506-E510 IonicContact CZ-OE1 3.64Å; R506-E510 HydrophobicContact CG-CG 4.38Å; R506-E510 PolarHBondContact NE-OE1 3.36Å; K507-E510 PolarHBondContact O-N 3Å; E510-K513 PolarHBondContact O-N 3.01Å; E510-R514 WeakPolarHBondContact O-CB 2.89Å; E510-R514 PolarHBondContact O-N 2.96Å; E510-R514 VanDerWaalsContact O-CG 3.25Å; E510-R514 WeakPolarHBondContact O-CG 3.47Å
511D90.1Very high86.3Confident65 Ų6584.1 Ų84.135%0.34844%0.438SS..Hα-helixtrans-66.6-45175.2-78.8-17.4000111.8K507 T508 Y509 K513 R514 Q515K507-D511 WeakPolarHBondContact O-CB 3.42Å; K507-D511 PolarHBondContact O-N 3.5Å; T508-D511 PolarHBondContact O-N 2.89Å; Y509-D511 PolarHBondContact O-N 3.45Å; D511-K513 VanDerWaalsContact C-N 3.32Å; D511-K513 PolarHBondContact O-N 3.16Å; D511-R514 PolarHBondContact O-N 3.47Å; D511-Q515 VanDerWaalsContact O-CG 3.28Å; D511-Q515 WeakPolarHBondContact O-CG 3.02Å; D511-Q515 PolarHBondContact O-N 3.01Å
512L88.5Confident86.5Confident42 Ų4286 Ų8622%0.2243%0.432CS..Hα-helixtrans-63.4-39.1175.2-71.5168.3000111.5V504 T508 Y509 Q515 G516 L517 L518V504-L512 HydrophobicContact CG1-CD1 4.42Å; T508-L512 HydrophobicContact CG2-CD1 3.98Å; T508-L512 HydrophobicContact CG2-CG 4.36Å; T508-L512 WeakPolarHBondContact O-CB 3.36Å; T508-L512 WeakPolarHBondContact O-CG 3.12Å; T508-L512 PolarHBondContact O-N 3.29Å; Y509-L512 PolarHBondContact O-N 3.04Å; L512-Q515 PolarHBondContact O-N 3.18Å; L512-G516 PolarHBondContact O-N 3.02Å; L512-G516 VanDerWaalsContact O-N 3.1Å; L512-L517 HydrophobicContact CD2-CD1 4.02Å; L512-L517 PolarHBondContact O-N 3.45Å; L512-L517 HydrophobicContact CD2-CB 4.1Å; L512-L518 HydrophobicContact CB-CD1 3.65Å; L512-L518 HydrophobicContact CB-CD2 4.34Å; L512-L518 HydrophobicContact CB-CG 3.68Å; L512-L518 HydrophobicContact CD1-CD2 4.38Å
513K87.7Confident86.7Confident141 Ų14185.6 Ų85.661%0.61343%0.429SS*.Hα-helixtrans-63.6-41.9175-174.7175.8-179.2175.50111.5Y509 E510 D511 Q515 G516 L518Y509-K513 HydrophobicContact CE1-CD 4.36Å; Y509-K513 WeakPolarHBondContact O-CB 3.39Å; Y509-K513 PolarHBondContact O-N 3.49Å; E510-K513 PolarHBondContact O-N 3.01Å; D511-K513 VanDerWaalsContact C-N 3.32Å; D511-K513 PolarHBondContact O-N 3.16Å; K513-Q515 VanDerWaalsContact C-N 3.32Å; K513-G516 PolarHBondContact O-N 3.13Å; K513-L518 HydrophobicContact CB-CD1 4.03Å
514R90.2Very high86.7Confident194 Ų19486.2 Ų86.273%0.73243%0.426SS*.Hα-helixtrans-67.2-31.8175.7-76.2172.8-175.8175.55.2112.6E510 D511 G516E510-R514 WeakPolarHBondContact O-CB 2.89Å; E510-R514 PolarHBondContact O-N 2.96Å; E510-R514 VanDerWaalsContact O-CG 3.25Å; E510-R514 WeakPolarHBondContact O-CG 3.47Å; D511-R514 PolarHBondContact O-N 3.47Å; R514-G516 VanDerWaalsContact C-N 3.3Å
515Q90.9Very high86.6Confident133 Ų13390.4 Ų90.462%0.62145%0.445SS*.Hα-helixtrans-80.1-9.2176.3-68.9174.129.200113.4D511 L512 K513 L517D511-Q515 VanDerWaalsContact O-CG 3.28Å; D511-Q515 WeakPolarHBondContact O-CG 3.02Å; D511-Q515 PolarHBondContact O-N 3.01Å; L512-Q515 PolarHBondContact O-N 3.18Å; K513-Q515 VanDerWaalsContact C-N 3.32Å; Q515-L517 HydrophobicContact CB-CD1 3.85Å; Q515-L517 HydrophobicContact CB-CG 4.01Å
516G85.1Confident86.3Confident64 Ų6494.8 Ų94.866%0.6646%0.461SS*.THydrogen-bonded Turntrans73.827.9-178.300000113.7L512 K513 R514L512-G516 PolarHBondContact O-N 3.02Å; L512-G516 VanDerWaalsContact O-N 3.1Å; K513-G516 PolarHBondContact O-N 3.13Å; R514-G516 VanDerWaalsContact C-N 3.3Å
517L79.6Confident86.3Confident115 Ų11595 Ų9560%0.60247%0.47SS*.  trans-101.19.7-176.3-65.5171.8000113.6L512 Q515L512-L517 HydrophobicContact CD2-CD1 4.02Å; L512-L517 PolarHBondContact O-N 3.45Å; L512-L517 HydrophobicContact CD2-CB 4.1Å; Q515-L517 HydrophobicContact CB-CD1 3.85Å; Q515-L517 HydrophobicContact CB-CG 4.01Å
518L73.5Confident86.2Confident75 Ų7592.9 Ų92.939%0.39347%0.467SS..  trans-121.40-176.9-74.4175.8000113.8D498 S499 Y509 L512 K513D498-L518 HydrophobicContact CB-CD2 3.31Å; S499-L518 PolarHBondContact OG-OXT 2.88Å; Y509-L518 HydrophobicContact CD1-CD1 4.26Å; Y509-L518 HydrophobicContact CD2-CD1 3.73Å; Y509-L518 HydrophobicContact CE1-CD1 4.26Å; Y509-L518 HydrophobicContact CE2-CD1 3.74Å; Y509-L518 HydrophobicContact CG-CD1 4Å; Y509-L518 VanDerWaalsContact O-CD1 3.26Å; Y509-L518 WeakPolarHBondContact O-CD1 3.34Å; L512-L518 HydrophobicContact CB-CD1 3.65Å; L512-L518 HydrophobicContact CB-CD2 4.34Å; L512-L518 HydrophobicContact CB-CG 3.68Å; L512-L518 HydrophobicContact CD1-CD2 4.38Å; K513-L518 HydrophobicContact CB-CD1 4.03Å

Retrieved 518 of 518 residues in 132.7 ms (Link to these results)

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