A0A077Z2C1_TRITR Loading...

Phosphatidylinositol 4-kinase type 2

AlphaFold DB , UniProt , Accession A0A077Z2C1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 405 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
1M29.9Very low45.2Very low232 Ų23295.6 Ų95.6100%1.14353%0.525SS*.  0112.50-73.9168.617800107.3Y3M1-Y3 PolarHBondContact O-N 2.98Å
2S30.7Very low48.9Very low109 Ų10988.6 Ų88.676%0.76249%0.486SS*.  trans-75.5101.2178163.70000108.1A4S2-A4 PolarHBondContact O-N 3.31Å; S2-A4 VanDerWaalsContact OG-CB 3.25Å; S2-A4 WeakPolarHBondContact OG-CB 3.46Å
3Y37.9Very low52.2Low107 Ų10791.8 Ų91.842%0.4249%0.487SS..  trans-72.370.2165.9-98.1-86.8000108.2M1 D16 D17 R122M1-Y3 PolarHBondContact O-N 2.98Å; Y3-D16 HydrophobicContact CD1-CB 4.28Å; Y3-D16 WeakPolarHBondContact CD1-OD2 3.47Å; Y3-D16 HydrophobicContact CE1-CB 4.15Å; Y3-D16 WeakPolarHBondContact CE1-OD2 3.24Å; Y3-D17 HydrophobicContact CE1-CB 4.36Å; Y3-D17 PolarHBondContact OH-OD2 2.88Å; Y3-R122 VanDerWaalsContact CE1-NH2 3.31Å
4A35.3Very low55Low49 Ų4986.9 Ų86.941%0.40546%0.459SS..  trans-120.684174.400000107.3S2S2-A4 PolarHBondContact O-N 3.31Å; S2-A4 VanDerWaalsContact OG-CB 3.25Å; S2-A4 WeakPolarHBondContact OG-CB 3.46Å
5S38.2Very low57.3Low36 Ų3687.3 Ų87.325%0.25247%0.469SS..  -168.5109125.357.40000108.3H7S5-H7 WeakPolarHBondContact CB-CD2 3.33Å; S5-H7 PolarHBondContact O-N 2.95Å; S5-H7 PolarHBondContact OG-CD2 3.3Å
6V44.9Very low59.4Low64 Ų6485.4 Ų85.439%0.38846%0.459SS..  trans-70.570154.6-173.20000105.7F8 K325 I329V6-F8 PolarHBondContact O-N 3.26Å; V6-K325 HydrophobicContact CG2-CB 4.36Å; V6-I329 HydrophobicContact CG1-CG2 4.21Å
7H41.5Very low61.3Low130 Ų13080.8 Ų80.860%0.60243%0.434SS*.  trans-77.484.1170.8-87.2-46.8000107S5 T9S5-H7 WeakPolarHBondContact CB-CD2 3.33Å; S5-H7 PolarHBondContact O-N 2.95Å; S5-H7 PolarHBondContact OG-CD2 3.3Å; H7-T9 PolarHBondContact O-N 2.95Å
8F51.1Low63.1Low77 Ų7785.4 Ų85.434%0.33845%0.452SS..  trans-72.882.2170.6-165.8-105.4000108.6V6 V123 R125 L167 I329V6-F8 PolarHBondContact O-N 3.26Å; F8-V123 HydrophobicContact CE2-CG1 3.96Å; F8-R125 VanDerWaalsContact CZ-NE 3.34Å; F8-L167 HydrophobicContact CE2-CD1 3.69Å; F8-L167 HydrophobicContact CZ-CD1 3.55Å; F8-I329 HydrophobicContact CB-CG2 4.48Å
9T50.6Low64.8Low58 Ų5888.5 Ų88.536%0.35646%0.464SS..  trans-78.6158.3166.871.50000108.9H7 S11H7-T9 PolarHBondContact O-N 2.95Å; T9-S11 PolarHBondContact O-N 2.82Å; T9-S11 PolarHBondContact OG1-O 3.03Å; T9-S11 PolarHBondContact OG1-OG 2.78Å
10D59.4Low66.3Low131 Ų13184.2 Ų84.270%0.70144%0.441SS*.SBendtrans-59.7-12.1176.4-82.5-42.3000113.8R125D10-R125 IonicContact OD1-CZ 2.68Å; D10-R125 IonicContact OD1-NH1 2.64Å; D10-R125 PolarHBondContact OD1-NH1 2.64Å; D10-R125 IonicContact OD1-NH2 3.46Å
11S77.9Confident67.7Low59 Ų5981.6 Ų81.641%0.41343%0.427SS..SBendtrans-106.2150.2175.855.80000113.1T9 R13T9-S11 PolarHBondContact O-N 2.82Å; T9-S11 PolarHBondContact OG1-O 3.03Å; T9-S11 PolarHBondContact OG1-OG 2.78Å; S11-R13 VanDerWaalsContact C-N 3.29Å; S11-R13 PolarHBondContact O-N 3Å; S11-R13 VanDerWaalsContact OG-CG 3.23Å; S11-R13 WeakPolarHBondContact OG-CG 3.34Å
12N90.1Very high70.8Confident11 Ų1178 Ų786%0.05941%0.405CS..  trans-68.784.8167.3-64.5-38.1000110F14 I24 R25 E28 V124 R125N12-F14 HydrophobicContact CB-CE2 4.02Å; N12-I24 HydrophobicContact CB-CG2 3.82Å; N12-R25 PolarHBondContact O-NH2 3.45Å; N12-E28 PolarHBondContact ND2-OE1 3.43Å; N12-V124 WeakPolarHBondContact OD1-CA 3.22Å; N12-R125 PolarHBondContact ND2-O 3.09Å; N12-R125 PolarHBondContact OD1-N 3.24Å
13R91.4Very high73.9Confident130 Ų13073.7 Ų73.749%0.49138%0.376SS..  trans-122.4130.2176.6-72-73.4-174.9-164.32.4108.6S11 E21 R25S11-R13 VanDerWaalsContact C-N 3.29Å; S11-R13 PolarHBondContact O-N 3Å; S11-R13 VanDerWaalsContact OG-CG 3.23Å; S11-R13 WeakPolarHBondContact OG-CG 3.34Å; R13-E21 WeakPolarHBondContact CD-OE1 3.48Å; R13-E21 IonicContact CZ-OE1 2.82Å; R13-E21 IonicContact NE-OE1 3.49Å; R13-E21 IonicContact NH1-OE1 2.86Å; R13-E21 PolarHBondContact NH1-OE1 3.2Å; R13-R25 VanDerWaalsContact NE-NH2 3.15Å; R13-R25 VanDerWaalsContact NH1-NH2 3.16Å
14F91.3Very high76.7Confident23 Ų2368.6 Ų68.610%0.10136%0.356CS..  trans-13570.8-177.3-55.2-82.1000108.9N12 D16 D17 F20 E21 I24 R122 V124N12-F14 HydrophobicContact CB-CE2 4.02Å; F14-D16 PolarHBondContact O-N 3.03Å; F14-D16 VanDerWaalsContact O-N 3.12Å; F14-D17 HydrophobicContact CB-CB 4.37Å; F14-D17 CarbonylContact O-C 3.46Å; F14-D17 VanDerWaalsContact O-C 3.28Å; F14-D17 PolarHBondContact O-N 2.84Å; F14-F20 HydrophobicContact CD1-CD1 4.19Å; F14-F20 HydrophobicContact CD1-CE1 4.41Å; F14-F20 AromaticContact CD2-CD1 3.63Å; F14-F20 HydrophobicContact CD2-CD1 3.63Å; F14-F20 AromaticContact CD2-CE1 3.97Å; F14-F20 HydrophobicContact CD2-CE1 3.97Å; F14-F20 HydrophobicContact CE1-CD1 4.35Å; F14-F20 HydrophobicContact CE1-CE1 4.12Å; F14-F20 AromaticContact CE2-CD1 3.81Å; F14-F20 HydrophobicContact CE2-CD1 3.81Å; F14-F20 AromaticContact CE2-CE1 3.63Å; F14-F20 HydrophobicContact CE2-CE1 3.63Å; F14-F20 AromaticContact CG-CD1 3.84Å; F14-F20 HydrophobicContact CG-CD1 3.84Å; F14-F20 HydrophobicContact CG-CE1 4.35Å; F14-F20 HydrophobicContact CZ-CD1 4.19Å; F14-F20 AromaticContact CZ-CE1 3.73Å; F14-F20 HydrophobicContact CZ-CE1 3.73Å; F14-E21 HydrophobicContact CB-CB 4.22Å; F14-E21 HydrophobicContact CD2-CB 4.36Å; F14-E21 PolarHBondContact N-OE2 2.85Å; F14-I24 HydrophobicContact CE2-CG1 4.27Å; F14-R122 HydrophobicContact CD1-CG 4.45Å; F14-R122 HydrophobicContact CE1-CB 3.97Å; F14-R122 HydrophobicContact CE1-CG 4.26Å; F14-R122 HydrophobicContact CZ-CB 4.38Å; F14-V124 HydrophobicContact CE2-CG1 4.42Å; F14-V124 HydrophobicContact CZ-CG1 3.99Å
15P89.5Confident79.6Confident94 Ų9470 Ų7061%0.6135%0.351SS*.THydrogen-bonded Turntrans-64.2-17.7-175.828.3-35.9000113.3D17P15-D17 VanDerWaalsContact C-N 3.34Å
16D90Very high82.4Confident56 Ų5669.5 Ų69.530%0.29935%0.347SS..THydrogen-bonded Turntrans-82.2-9.2173.260-50.5000113.4Y3 F14Y3-D16 HydrophobicContact CD1-CB 4.28Å; Y3-D16 WeakPolarHBondContact CD1-OD2 3.47Å; Y3-D16 HydrophobicContact CE1-CB 4.15Å; Y3-D16 WeakPolarHBondContact CE1-OD2 3.24Å; F14-D16 PolarHBondContact O-N 3.03Å; F14-D16 VanDerWaalsContact O-N 3.12Å
17D92.4Very high84.9Confident7 Ų766.5 Ų66.54%0.03733%0.329CS..  trans-151.376.9-172.2-156.6-40.6000112.5Y3 F14 P15 E19 F20 E21 K120 R122Y3-D17 HydrophobicContact CE1-CB 4.36Å; Y3-D17 PolarHBondContact OH-OD2 2.88Å; F14-D17 HydrophobicContact CB-CB 4.37Å; F14-D17 CarbonylContact O-C 3.46Å; F14-D17 VanDerWaalsContact O-C 3.28Å; F14-D17 PolarHBondContact O-N 2.84Å; P15-D17 VanDerWaalsContact C-N 3.34Å; D17-E19 VanDerWaalsContact C-N 3.26Å; D17-E19 PolarHBondContact O-N 2.77Å; D17-F20 HydrophobicContact CB-CB 4.04Å; D17-F20 PolarHBondContact O-N 2.73Å; D17-F20 VanDerWaalsContact O-N 3.17Å; D17-F20 WeakPolarHBondContact OD1-CB 3.28Å; D17-F20 PolarHBondContact OD1-N 3.45Å; D17-E21 PolarHBondContact O-N 2.84Å; D17-K120 VanDerWaalsContact CG-NZ 3.26Å; D17-K120 IonicContact OD1-NZ 3.05Å; D17-K120 PolarHBondContact OD1-NZ 3.48Å; D17-K120 WeakPolarHBondContact OD2-CD 3.04Å; D17-K120 WeakPolarHBondContact OD2-CE 3.38Å; D17-K120 IonicContact OD2-NZ 2.91Å; D17-K120 PolarHBondContact OD2-NZ 2.93Å; D17-R122 IonicContact OD2-NH2 2.76Å
18E94Very high87.5Confident164 Ų16461.9 Ų61.977%0.76631%0.308SS*.Hα-helixtrans-57.7-36.1-178.3-64.5-177.5176.600113.1E21 F22E18-E21 PolarHBondContact O-N 3.31Å; E18-F22 WeakPolarHBondContact O-CB 3.46Å; E18-F22 PolarHBondContact O-N 2.99Å
19E94.3Very high89.6Confident145 Ų14564.4 Ų64.468%0.67832%0.319SS*.Hα-helixtrans-64.9-44.7178.1-176.2-169.3-153.300111.2D17 F22 A23 K120D17-E19 VanDerWaalsContact C-N 3.26Å; D17-E19 PolarHBondContact O-N 2.77Å; E19-F22 PolarHBondContact O-N 3.09Å; E19-A23 PolarHBondContact O-N 3.27Å; E19-K120 IonicContact OE2-NZ 2.72Å; E19-K120 PolarHBondContact OE2-NZ 3.49Å
20F95.5Very high91.9Very high1 Ų161.7 Ų61.70%0.00430%0.302CS..Hα-helixtrans-68.2-41.4176.1-170.7-91.8000111.7F14 D17 F22 A23 I24 K120 R122 V124 F170 V172F14-F20 HydrophobicContact CD1-CD1 4.19Å; F14-F20 HydrophobicContact CD1-CE1 4.41Å; F14-F20 AromaticContact CD2-CD1 3.63Å; F14-F20 HydrophobicContact CD2-CD1 3.63Å; F14-F20 AromaticContact CD2-CE1 3.97Å; F14-F20 HydrophobicContact CD2-CE1 3.97Å; F14-F20 HydrophobicContact CE1-CD1 4.35Å; F14-F20 HydrophobicContact CE1-CE1 4.12Å; F14-F20 AromaticContact CE2-CD1 3.81Å; F14-F20 HydrophobicContact CE2-CD1 3.81Å; F14-F20 AromaticContact CE2-CE1 3.63Å; F14-F20 HydrophobicContact CE2-CE1 3.63Å; F14-F20 AromaticContact CG-CD1 3.84Å; F14-F20 HydrophobicContact CG-CD1 3.84Å; F14-F20 HydrophobicContact CG-CE1 4.35Å; F14-F20 HydrophobicContact CZ-CD1 4.19Å; F14-F20 AromaticContact CZ-CE1 3.73Å; F14-F20 HydrophobicContact CZ-CE1 3.73Å; D17-F20 HydrophobicContact CB-CB 4.04Å; D17-F20 PolarHBondContact O-N 2.73Å; D17-F20 VanDerWaalsContact O-N 3.17Å; D17-F20 WeakPolarHBondContact OD1-CB 3.28Å; D17-F20 PolarHBondContact OD1-N 3.45Å; F20-F22 VanDerWaalsContact C-N 3.32Å; F20-F22 PolarHBondContact O-N 3.02Å; F20-A23 PolarHBondContact O-N 3.33Å; F20-I24 HydrophobicContact CD1-CG1 3.87Å; F20-I24 HydrophobicContact CE1-CD1 3.91Å; F20-I24 HydrophobicContact CE1-CG1 3.41Å; F20-I24 VanDerWaalsContact CE1-CG1 3.41Å; F20-I24 HydrophobicContact CZ-CD1 3.8Å; F20-I24 HydrophobicContact CZ-CG1 3.83Å; F20-I24 WeakPolarHBondContact O-CG1 3.43Å; F20-I24 PolarHBondContact O-N 3.31Å; F20-K120 HydrophobicContact CB-CD 3.77Å; F20-K120 HydrophobicContact CD2-CD 3.69Å; F20-K120 HydrophobicContact CD2-CG 3.92Å; F20-K120 HydrophobicContact CG-CD 4.08Å; F20-R122 HydrophobicContact CD1-CB 4.28Å; F20-R122 HydrophobicContact CD1-CG 3.88Å; F20-R122 HydrophobicContact CD2-CG 4.25Å; F20-R122 HydrophobicContact CE1-CB 3.51Å; F20-R122 HydrophobicContact CE1-CG 3.61Å; F20-R122 HydrophobicContact CE2-CB 4.19Å; F20-R122 HydrophobicContact CE2-CG 3.99Å; F20-R122 HydrophobicContact CG-CG 4.21Å; F20-R122 HydrophobicContact CZ-CB 3.46Å; F20-R122 VanDerWaalsContact CZ-CB 3.46Å; F20-R122 HydrophobicContact CZ-CG 3.68Å; F20-V124 HydrophobicContact CE1-CG1 3.99Å; F20-V124 HydrophobicContact CZ-CG1 4.05Å; F20-F170 AromaticContact CE2-CD1 3.98Å; F20-F170 HydrophobicContact CE2-CD1 3.98Å; F20-F170 HydrophobicContact CZ-CB 4.27Å; F20-F170 AromaticContact CZ-CD1 3.93Å; F20-F170 HydrophobicContact CZ-CD1 3.93Å; F20-F170 HydrophobicContact CZ-CG 4.46Å; F20-V172 HydrophobicContact CD2-CG2 3.95Å; F20-V172 HydrophobicContact CE2-CG2 4.07Å
21E95.2Very high93.6Very high31 Ų3156.6 Ų56.615%0.14527%0.274CS..Hα-helixtrans-58.9-45.3174.3-176.7161167.600110.9R13 F14 D17 E18 A23 I24 R25R13-E21 WeakPolarHBondContact CD-OE1 3.48Å; R13-E21 IonicContact CZ-OE1 2.82Å; R13-E21 IonicContact NE-OE1 3.49Å; R13-E21 IonicContact NH1-OE1 2.86Å; R13-E21 PolarHBondContact NH1-OE1 3.2Å; F14-E21 HydrophobicContact CB-CB 4.22Å; F14-E21 HydrophobicContact CD2-CB 4.36Å; F14-E21 PolarHBondContact N-OE2 2.85Å; D17-E21 PolarHBondContact O-N 2.84Å; E18-E21 PolarHBondContact O-N 3.31Å; E21-A23 VanDerWaalsContact C-N 3.35Å; E21-A23 PolarHBondContact O-N 3.1Å; E21-I24 PolarHBondContact O-N 3.02Å; E21-R25 HydrophobicContact CG-CG 4.09Å; E21-R25 WeakPolarHBondContact O-CB 3.47Å; E21-R25 WeakPolarHBondContact O-CG 3.24Å; E21-R25 PolarHBondContact O-N 2.91Å; E21-R25 IonicContact OE1-NE 3.62Å; E21-R25 IonicContact OE1-NH2 2.68Å
22F95.8Very high94.3Very high157 Ų15761.6 Ų61.669%0.68929%0.291SS*.Hα-helixtrans-58.7-44.9176.3-177.9-95.4000112.2E18 E19 F20 I24 R25 S26E18-F22 WeakPolarHBondContact O-CB 3.46Å; E18-F22 PolarHBondContact O-N 2.99Å; E19-F22 PolarHBondContact O-N 3.09Å; F20-F22 VanDerWaalsContact C-N 3.32Å; F20-F22 PolarHBondContact O-N 3.02Å; F22-I24 PolarHBondContact O-N 3.5Å; F22-R25 PolarHBondContact O-N 2.78Å; F22-S26 PolarHBondContact O-N 3.25Å
23A96Very high94.4Very high17 Ų1764.7 Ų64.714%0.1431%0.314CS..Hα-helixtrans-58.9-48.2176.200000111.7E19 F20 E21 S26 V27 V58E19-A23 PolarHBondContact O-N 3.27Å; F20-A23 PolarHBondContact O-N 3.33Å; E21-A23 VanDerWaalsContact C-N 3.35Å; E21-A23 PolarHBondContact O-N 3.1Å; A23-S26 WeakPolarHBondContact O-CB 3.08Å; A23-S26 PolarHBondContact O-N 2.77Å; A23-S26 PolarHBondContact O-OG 3.24Å; A23-V27 PolarHBondContact O-N 2.86Å; A23-V58 HydrophobicContact CB-CG1 3.77Å
24I96.7Very high94.5Very high1 Ų160.2 Ų60.21%0.00531%0.308CS..Hα-helixtrans-64.8-41.7178.3-63.3-55.1000111.9N12 F14 F20 E21 F22 S26 V27 E28 V124 F170N12-I24 HydrophobicContact CB-CG2 3.82Å; F14-I24 HydrophobicContact CE2-CG1 4.27Å; F20-I24 HydrophobicContact CD1-CG1 3.87Å; F20-I24 HydrophobicContact CE1-CD1 3.91Å; F20-I24 HydrophobicContact CE1-CG1 3.41Å; F20-I24 VanDerWaalsContact CE1-CG1 3.41Å; F20-I24 HydrophobicContact CZ-CD1 3.8Å; F20-I24 HydrophobicContact CZ-CG1 3.83Å; F20-I24 WeakPolarHBondContact O-CG1 3.43Å; F20-I24 PolarHBondContact O-N 3.31Å; E21-I24 PolarHBondContact O-N 3.02Å; F22-I24 PolarHBondContact O-N 3.5Å; I24-S26 VanDerWaalsContact C-N 3.27Å; I24-S26 PolarHBondContact O-N 2.89Å; I24-V27 WeakPolarHBondContact O-CB 3.39Å; I24-V27 PolarHBondContact O-N 3.49Å; I24-V27 VanDerWaalsContact O-N 3.12Å; I24-E28 HydrophobicContact CG2-CG 4.36Å; I24-E28 WeakPolarHBondContact O-CG 3.4Å; I24-E28 PolarHBondContact O-N 3.2Å; I24-V124 HydrophobicContact CD1-CG1 3.87Å; I24-V124 HydrophobicContact CG1-CG1 4.18Å; I24-F170 HydrophobicContact CD1-CB 4.17Å; I24-F170 HydrophobicContact CD1-CD1 3.41Å; I24-F170 VanDerWaalsContact CD1-CD1 3.41Å; I24-F170 HydrophobicContact CD1-CD2 3.71Å; I24-F170 HydrophobicContact CD1-CE1 3.57Å; I24-F170 HydrophobicContact CD1-CE2 3.85Å; I24-F170 HydrophobicContact CD1-CG 3.49Å; I24-F170 VanDerWaalsContact CD1-CG 3.49Å; I24-F170 HydrophobicContact CD1-CZ 3.79Å
25R96Very high94.6Very high79 Ų7960.6 Ų60.630%0.29831%0.311SS..Hα-helixtrans-60.2-37.8175.4-69-74.1175.8-146.1-3.9111.9N12 R13 E21 F22 V27 E28 K29N12-R25 PolarHBondContact O-NH2 3.45Å; R13-R25 VanDerWaalsContact NE-NH2 3.15Å; R13-R25 VanDerWaalsContact NH1-NH2 3.16Å; E21-R25 HydrophobicContact CG-CG 4.09Å; E21-R25 WeakPolarHBondContact O-CB 3.47Å; E21-R25 WeakPolarHBondContact O-CG 3.24Å; E21-R25 PolarHBondContact O-N 2.91Å; E21-R25 IonicContact OE1-NE 3.62Å; E21-R25 IonicContact OE1-NH2 2.68Å; F22-R25 PolarHBondContact O-N 2.78Å; R25-V27 VanDerWaalsContact C-N 3.3Å; R25-V27 PolarHBondContact O-N 3.11Å; R25-E28 WeakPolarHBondContact CD-OE2 3.5Å; R25-E28 IonicContact CZ-OE2 3.24Å; R25-E28 IonicContact NE-OE2 3.72Å; R25-E28 IonicContact NH1-OE2 2.64Å; R25-E28 PolarHBondContact NH1-OE2 3.13Å; R25-E28 PolarHBondContact O-N 3.08Å; R25-K29 WeakPolarHBondContact O-CB 3.31Å; R25-K29 PolarHBondContact O-N 2.91Å
26S97.1Very high94.9Very high25 Ų2560.5 Ų60.518%0.17530%0.299CS..Hα-helixtrans-64-36.1176.481.60000112.5F22 A23 I24 A30F22-S26 PolarHBondContact O-N 3.25Å; A23-S26 WeakPolarHBondContact O-CB 3.08Å; A23-S26 PolarHBondContact O-N 2.77Å; A23-S26 PolarHBondContact O-OG 3.24Å; I24-S26 VanDerWaalsContact C-N 3.27Å; I24-S26 PolarHBondContact O-N 2.89Å; S26-A30 WeakPolarHBondContact O-CB 3.45Å; S26-A30 PolarHBondContact O-N 3.38Å; S26-A30 VanDerWaalsContact O-N 3.1Å
27V97.7Very high95.2Very high1 Ų157.9 Ų57.91%0.00629%0.285CS..Hα-helixtrans-71.7-44.2175.2172.10000111.4A23 I24 R25 K29 A30 I31 A50 V58 L126 F170A23-V27 PolarHBondContact O-N 2.86Å; I24-V27 WeakPolarHBondContact O-CB 3.39Å; I24-V27 PolarHBondContact O-N 3.49Å; I24-V27 VanDerWaalsContact O-N 3.12Å; R25-V27 VanDerWaalsContact C-N 3.3Å; R25-V27 PolarHBondContact O-N 3.11Å; V27-K29 VanDerWaalsContact C-N 3.32Å; V27-K29 PolarHBondContact O-N 3.34Å; V27-A30 WeakPolarHBondContact O-CB 3.37Å; V27-A30 PolarHBondContact O-N 3.21Å; V27-I31 HydrophobicContact CG1-CD1 3.97Å; V27-I31 WeakPolarHBondContact O-CG1 3.22Å; V27-I31 PolarHBondContact O-N 2.99Å; V27-A50 HydrophobicContact CG1-CB 3.79Å; V27-A50 HydrophobicContact CG2-CB 3.94Å; V27-V58 HydrophobicContact CG2-CB 3.74Å; V27-V58 HydrophobicContact CG2-CG1 3.86Å; V27-V58 HydrophobicContact CG2-CG2 3.98Å; V27-L126 HydrophobicContact CG1-CD1 4.22Å; V27-L126 HydrophobicContact CG1-CD2 4.42Å; V27-F170 HydrophobicContact CG2-CE2 4.17Å; V27-F170 HydrophobicContact CG2-CZ 3.99Å
28E96.1Very high95.3Very high32 Ų3261.4 Ų61.415%0.1531%0.306CS..Hα-helixtrans-57.6-46.6176.1-71.4176.8155.800110.9N12 I24 R25 A30 I31 E32 L126N12-E28 PolarHBondContact ND2-OE1 3.43Å; I24-E28 HydrophobicContact CG2-CG 4.36Å; I24-E28 WeakPolarHBondContact O-CG 3.4Å; I24-E28 PolarHBondContact O-N 3.2Å; R25-E28 WeakPolarHBondContact CD-OE2 3.5Å; R25-E28 IonicContact CZ-OE2 3.24Å; R25-E28 IonicContact NE-OE2 3.72Å; R25-E28 IonicContact NH1-OE2 2.64Å; R25-E28 PolarHBondContact NH1-OE2 3.13Å; R25-E28 PolarHBondContact O-N 3.08Å; E28-A30 VanDerWaalsContact C-N 3.34Å; E28-A30 PolarHBondContact O-N 3.32Å; E28-I31 PolarHBondContact O-N 3.01Å; E28-E32 WeakPolarHBondContact O-CG 3.31Å; E28-E32 PolarHBondContact O-N 3.07Å; E28-L126 HydrophobicContact CG-CD2 4.18Å
29K95.6Very high95.1Very high131 Ų13158.4 Ų58.457%0.5729%0.288SS*.Hα-helixtrans-62.7-37.8176.5-170.7-179178.5-179.30112.8R25 V27 E32 S33R25-K29 WeakPolarHBondContact O-CB 3.31Å; R25-K29 PolarHBondContact O-N 2.91Å; V27-K29 VanDerWaalsContact C-N 3.32Å; V27-K29 PolarHBondContact O-N 3.34Å; K29-E32 PolarHBondContact O-N 3.21Å; K29-S33 WeakPolarHBondContact O-CB 3.29Å; K29-S33 PolarHBondContact O-N 2.85Å; K29-S33 PolarHBondContact O-OG 3.4Å
30A97.4Very high94.9Very high0 Ų053.7 Ų53.70%027%0.267CS..Hα-helixtrans-63.7-45.7175.900000111.4S26 V27 E28 E32 S33 G34 I35 M51 N52S26-A30 WeakPolarHBondContact O-CB 3.45Å; S26-A30 PolarHBondContact O-N 3.38Å; S26-A30 VanDerWaalsContact O-N 3.1Å; V27-A30 WeakPolarHBondContact O-CB 3.37Å; V27-A30 PolarHBondContact O-N 3.21Å; E28-A30 VanDerWaalsContact C-N 3.34Å; E28-A30 PolarHBondContact O-N 3.32Å; A30-E32 PolarHBondContact O-N 3.5Å; A30-S33 CarbonylContact O-C 3.58Å; A30-S33 WeakPolarHBondContact O-CA 3.46Å; A30-S33 PolarHBondContact O-N 3.47Å; A30-G34 PolarHBondContact O-N 3.43Å; A30-I35 CarbonylContact C-O 3.54Å; A30-I35 VanDerWaalsContact C-O 3.25Å; A30-I35 HydrophobicContact CB-CB 4.13Å; A30-I35 HydrophobicContact CB-CG2 4.35Å; A30-I35 WeakPolarHBondContact O-CA 3.18Å; A30-I35 WeakPolarHBondContact O-CB 3.24Å; A30-I35 PolarHBondContact O-N 3Å; A30-M51 WeakPolarHBondContact CB-O 3.4Å; A30-N52 VanDerWaalsContact CB-C 3.48Å
31I95.2Very high94Very high25 Ų2556.9 Ų56.913%0.12830%0.301CS..Hα-helixtrans-59.7-45.5175.9-69.9166.9000111V27 E28 S33 G34 I35 Y36 P37 L126 A127 A128V27-I31 HydrophobicContact CG1-CD1 3.97Å; V27-I31 WeakPolarHBondContact O-CG1 3.22Å; V27-I31 PolarHBondContact O-N 2.99Å; E28-I31 PolarHBondContact O-N 3.01Å; I31-S33 PolarHBondContact O-N 3.5Å; I31-G34 PolarHBondContact O-N 2.76Å; I31-G34 VanDerWaalsContact O-N 3.07Å; I31-I35 WeakPolarHBondContact CA-O 3.5Å; I31-I35 PolarHBondContact N-O 3.33Å; I31-Y36 HydrophobicContact CG2-CD1 4.32Å; I31-Y36 HydrophobicContact CG2-CE1 4.47Å; I31-Y36 WeakPolarHBondContact O-CE1 3.44Å; I31-P37 HydrophobicContact CD1-CG 4.19Å; I31-P37 HydrophobicContact CG1-CG 4.4Å; I31-L126 HydrophobicContact CD1-CD2 4.33Å; I31-A127 WeakPolarHBondContact CG2-O 3.32Å; I31-A128 HydrophobicContact CD1-CB 4.34Å; I31-A128 HydrophobicContact CG1-CB 4.5Å; I31-A128 HydrophobicContact CG2-CB 4.47Å
32E92.1Very high92.9Very high163 Ų16362.9 Ų62.976%0.76233%0.329SS*.Hα-helixtrans-61.6-29.5176.1-72.2172.8179.200112.5E28 K29 A30 G34E28-E32 WeakPolarHBondContact O-CG 3.31Å; E28-E32 PolarHBondContact O-N 3.07Å; K29-E32 PolarHBondContact O-N 3.21Å; A30-E32 PolarHBondContact O-N 3.5Å; E32-G34 VanDerWaalsContact C-N 3.3Å
33S93.6Very high91.4Very high77 Ų7758.5 Ų58.554%0.53833%0.328SS..THydrogen-bonded Turntrans-86.86177.1-520000113.5K29 A30 I31K29-S33 WeakPolarHBondContact O-CB 3.29Å; K29-S33 PolarHBondContact O-N 2.85Å; K29-S33 PolarHBondContact O-OG 3.4Å; A30-S33 CarbonylContact O-C 3.58Å; A30-S33 WeakPolarHBondContact O-CA 3.46Å; A30-S33 PolarHBondContact O-N 3.47Å; I31-S33 PolarHBondContact O-N 3.5Å
34G93.4Very high89.6Confident36 Ų3659.9 Ų59.937%0.37134%0.336SS..THydrogen-bonded Turntrans858.3179.400000115.4A30 I31 E32 Y36A30-G34 PolarHBondContact O-N 3.43Å; I31-G34 PolarHBondContact O-N 2.76Å; I31-G34 VanDerWaalsContact O-N 3.07Å; E32-G34 VanDerWaalsContact C-N 3.3Å; G34-Y36 WeakPolarHBondContact O-CE2 3.39Å
35I94Very high88.2Confident30 Ų3060.9 Ų60.915%0.15434%0.343CS..  trans-94.9103.5174.8-60.7166.1000108A30 I31 M51A30-I35 CarbonylContact C-O 3.54Å; A30-I35 VanDerWaalsContact C-O 3.25Å; A30-I35 HydrophobicContact CB-CB 4.13Å; A30-I35 HydrophobicContact CB-CG2 4.35Å; A30-I35 WeakPolarHBondContact O-CA 3.18Å; A30-I35 WeakPolarHBondContact O-CB 3.24Å; A30-I35 PolarHBondContact O-N 3Å; I31-I35 WeakPolarHBondContact CA-O 3.5Å; I31-I35 PolarHBondContact N-O 3.33Å; I35-M51 HydrophobicContact CG2-CB 4.33Å; I35-M51 HydrophobicContact CG2-CE 4.17Å
36Y95.6Very high87.5Confident93 Ų9357.1 Ų57.137%0.36533%0.329SS..PPolyproline II helixtrans-99.3150.1-171.8-52.3-54.1000112.9I31 G34 V38 M51 P129 T130I31-Y36 HydrophobicContact CG2-CD1 4.32Å; I31-Y36 HydrophobicContact CG2-CE1 4.47Å; I31-Y36 WeakPolarHBondContact O-CE1 3.44Å; G34-Y36 WeakPolarHBondContact O-CE2 3.39Å; Y36-V38 PolarHBondContact O-N 3.38Å; Y36-M51 WeakPolarHBondContact O-CE 3.37Å; Y36-P129 HydrophobicContact CD1-CG 4.34Å; Y36-P129 HydrophobicContact CE1-CG 3.89Å; Y36-P129 HydrophobicContact CE2-CG 4.28Å; Y36-T130 HydrophobicContact CD2-CG2 4.29Å; Y36-T130 HydrophobicContact CG-CG2 4.21Å
37P95.9Very high87.3Confident1 Ų156.3 Ų56.31%0.00632%0.324CS..PPolyproline II helixtrans-57.2136.1172-25.634.3000112.3I31 Y48 L49 A50 A128 T130 F131I31-P37 HydrophobicContact CD1-CG 4.19Å; I31-P37 HydrophobicContact CG1-CG 4.4Å; P37-Y48 HydrophobicContact CB-CG 4.49Å; P37-L49 CarbonylContact C-O 3.43Å; P37-L49 WeakPolarHBondContact CA-O 3.5Å; P37-L49 WeakPolarHBondContact CB-O 3.35Å; P37-A50 HydrophobicContact CG-CB 4.35Å; P37-A128 HydrophobicContact CG-CB 4.33Å; P37-T130 VanDerWaalsContact O-CB 3.29Å; P37-T130 WeakPolarHBondContact O-CB 3.37Å; P37-T130 PolarHBondContact O-OG1 3.09Å; P37-F131 HydrophobicContact CB-CE1 3.95Å; P37-F131 HydrophobicContact CB-CZ 4.47Å; P37-F131 HydrophobicContact CG-CE1 4.02Å; P37-F131 HydrophobicContact CG-CZ 4.07Å
38V94Very high87.2Confident80 Ų8056.4 Ų56.449%0.48533%0.325SS..EExtended strand (participates in β ladder)trans-97.6132.7-177.21770000109.8Y36 I40 Y48 L49 M51Y36-V38 PolarHBondContact O-N 3.38Å; V38-I40 PolarHBondContact O-N 3.22Å; V38-Y48 CarbonylContact O-C 3.55Å; V38-Y48 VanDerWaalsContact O-CA 3.27Å; V38-Y48 WeakPolarHBondContact O-CA 3.34Å; V38-L49 PolarHBondContact N-O 2.81Å; V38-L49 PolarHBondContact O-N 2.91Å; V38-M51 HydrophobicContact CG2-CE 3.68Å
39R90.9Very high87.2Confident102 Ų10257 Ų5739%0.38533%0.329SS..EExtended strand (participates in β ladder)trans-68131.4-179.2-171.8175.9178.2-155.9-4.3111Y48 P74R39-Y48 HydrophobicContact CB-CD1 4.02Å; R39-Y48 HydrophobicContact CB-CE1 3.85Å; R39-Y48 HydrophobicContact CG-CE1 4.13Å; R39-P74 VanDerWaalsContact NH2-CB 3.26Å; R39-P74 PolarHBondContact NH2-O 3.02Å
40I88.6Confident87.2Confident45 Ų4550.8 Ų50.823%0.23130%0.302CS..PPolyproline II helixtrans-77122170.9-58173.1000108V38 E42 A47 L49 V60V38-I40 PolarHBondContact O-N 3.22Å; I40-E42 VanDerWaalsContact C-N 3.35Å; I40-E42 HydrophobicContact CG2-CB 4.28Å; I40-A47 HydrophobicContact CB-CB 4.41Å; I40-A47 HydrophobicContact CD1-CB 4.06Å; I40-A47 PolarHBondContact N-O 2.6Å; I40-L49 HydrophobicContact CD1-CD2 3.87Å; I40-L49 HydrophobicContact CD1-CG 3.87Å; I40-L49 HydrophobicContact CG1-CD1 4.22Å; I40-L49 HydrophobicContact CG1-CD2 4.24Å; I40-L49 HydrophobicContact CG1-CG 3.68Å; I40-V60 HydrophobicContact CD1-CG1 3.92Å; I40-V60 HydrophobicContact CD1-CG2 4.37Å
41G77.7Confident87.2Confident69 Ų6952.2 Ų52.271%0.71131%0.309SS*.SBendtrans-67.2-36.4-179.800000112.9K75G41-K75 PolarHBondContact O-NZ 3.44Å
42E71.1Confident87.3Confident157 Ų15752.3 Ų52.373%0.73431%0.309SS*.SBendtrans-74.6171-177.5-64-178.7-178.800113.6I40 K75I40-E42 VanDerWaalsContact C-N 3.35Å; I40-E42 HydrophobicContact CG2-CB 4.28Å; E42-K75 PolarHBondContact O-NZ 3.39Å
43G65.1Low87.5Confident65 Ų6546.7 Ų46.767%0.6729%0.287SS*.SBendtrans80.2-165.6179.500000114.6K75G43-K75 VanDerWaalsContact C-NZ 3.3Å; G43-K75 PolarHBondContact O-NZ 2.98Å
44S58.3Low87.7Confident46 Ų4648.8 Ų48.832%0.32229%0.293SS..SBendtrans-118.9-15.3-175.274.60000114.9P68 N73S44-P68 WeakPolarHBondContact OG-CG 3.33Å; S44-N73 PolarHBondContact O-ND2 3.22Å
45S67.4Low87.7Confident21 Ų2153 Ų5315%0.14730%0.302CS..SBendtrans-101.4169.4178.2560000112A47S45-A47 PolarHBondContact O-N 3.12Å
46G81.6Confident87.7Confident1 Ų155.8 Ų55.81%0.0132%0.318CS..  trans-73.8112.1159.400000109.7P63 E66G46-P63 WeakPolarHBondContact O-CD 3.1Å; G46-E66 PolarHBondContact N-O 2.88Å
47A91.8Very high87.7Confident8 Ų854.5 Ų54.57%0.06632%0.316CS..  trans-127.9146.5174.300000109.4I40 S45 V60 F61 K62I40-A47 HydrophobicContact CB-CB 4.41Å; I40-A47 HydrophobicContact CD1-CB 4.06Å; I40-A47 PolarHBondContact N-O 2.6Å; S45-A47 PolarHBondContact O-N 3.12Å; A47-V60 HydrophobicContact CB-CG1 4.27Å; A47-F61 WeakPolarHBondContact CA-O 3.4Å; A47-K62 HydrophobicContact CB-CG 3.98Å
48Y95.6Very high87.8Confident3 Ų355.5 Ų55.51%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-132.9133.4-173.5-60.2-94.5000110.9P37 V38 R39 A50 V60 F61 P63 E66 T130 F131P37-Y48 HydrophobicContact CB-CG 4.49Å; V38-Y48 CarbonylContact O-C 3.55Å; V38-Y48 VanDerWaalsContact O-CA 3.27Å; V38-Y48 WeakPolarHBondContact O-CA 3.34Å; R39-Y48 HydrophobicContact CB-CD1 4.02Å; R39-Y48 HydrophobicContact CB-CE1 3.85Å; R39-Y48 HydrophobicContact CG-CE1 4.13Å; Y48-A50 PolarHBondContact O-N 3.3Å; Y48-V60 CarbonylContact O-C 3.25Å; Y48-V60 WeakPolarHBondContact O-CA 3.44Å; Y48-F61 PolarHBondContact N-O 3.08Å; Y48-F61 PolarHBondContact O-N 3.23Å; Y48-P63 HydrophobicContact CD2-CG 4.21Å; Y48-P63 HydrophobicContact CE2-CG 3.83Å; Y48-E66 WeakPolarHBondContact CE2-OE2 3.31Å; Y48-E66 VanDerWaalsContact OH-CD 3.25Å; Y48-E66 PolarHBondContact OH-OE1 3.01Å; Y48-E66 PolarHBondContact OH-OE2 2.86Å; Y48-T130 WeakPolarHBondContact CE1-O 3.32Å; Y48-F131 AromaticContact CD1-CD1 3.79Å; Y48-F131 HydrophobicContact CD1-CD1 3.79Å; Y48-F131 AromaticContact CD1-CE1 3.93Å; Y48-F131 HydrophobicContact CD1-CE1 3.93Å; Y48-F131 AromaticContact CD2-CD1 3.88Å; Y48-F131 HydrophobicContact CD2-CD1 3.88Å; Y48-F131 AromaticContact CD2-CE1 3.88Å; Y48-F131 HydrophobicContact CD2-CE1 3.88Å; Y48-F131 AromaticContact CE1-CD1 3.72Å; Y48-F131 HydrophobicContact CE1-CD1 3.72Å; Y48-F131 HydrophobicContact CE1-CE1 4.33Å; Y48-F131 AromaticContact CE2-CD1 3.83Å; Y48-F131 HydrophobicContact CE2-CD1 3.83Å; Y48-F131 HydrophobicContact CE2-CE1 4.3Å; Y48-F131 AromaticContact CG-CD1 3.88Å; Y48-F131 HydrophobicContact CG-CD1 3.88Å; Y48-F131 AromaticContact CG-CE1 3.7Å; Y48-F131 HydrophobicContact CG-CE1 3.7Å; Y48-F131 AromaticContact CZ-CD1 3.75Å
49L95.8Very high88Confident45 Ų4551.7 Ų51.724%0.23630%0.299CS..EExtended strand (participates in β ladder)trans-78.6112.8166.8-65.9169.7000108.5P37 V38 I40 I57 V60P37-L49 CarbonylContact C-O 3.43Å; P37-L49 WeakPolarHBondContact CA-O 3.5Å; P37-L49 WeakPolarHBondContact CB-O 3.35Å; V38-L49 PolarHBondContact N-O 2.81Å; V38-L49 PolarHBondContact O-N 2.91Å; I40-L49 HydrophobicContact CD1-CD2 3.87Å; I40-L49 HydrophobicContact CD1-CG 3.87Å; I40-L49 HydrophobicContact CG1-CD1 4.22Å; I40-L49 HydrophobicContact CG1-CD2 4.24Å; I40-L49 HydrophobicContact CG1-CG 3.68Å; L49-I57 HydrophobicContact CB-CG2 4.43Å; L49-I57 HydrophobicContact CD1-CD1 4.24Å; L49-I57 HydrophobicContact CD2-CD1 4.48Å; L49-I57 HydrophobicContact CD2-CG2 3.95Å; L49-V60 HydrophobicContact CD2-CG2 4.03Å
50A96.9Very high88.2Confident0 Ų048 Ų480%029%0.288CS..EExtended strand (participates in β ladder)trans-90.1138.3174.700000110.2V27 P37 Y48 V58 G59 F170V27-A50 HydrophobicContact CG1-CB 3.79Å; V27-A50 HydrophobicContact CG2-CB 3.94Å; P37-A50 HydrophobicContact CG-CB 4.35Å; Y48-A50 PolarHBondContact O-N 3.3Å; A50-V58 PolarHBondContact O-N 3.13Å; A50-G59 PolarHBondContact N-O 2.57Å; A50-G59 PolarHBondContact O-N 3.05Å; A50-F170 HydrophobicContact CB-CE2 3.62Å; A50-F170 HydrophobicContact CB-CZ 4.14Å
51M97.3Very high88.6Confident30 Ų3045.9 Ų45.915%0.14828%0.277CS..EExtended strand (participates in β ladder)trans-122.9159.5-175.6-63.3166.1-71.300111.3A30 I35 Y36 V38 D56 I57A30-M51 WeakPolarHBondContact CB-O 3.4Å; I35-M51 HydrophobicContact CG2-CB 4.33Å; I35-M51 HydrophobicContact CG2-CE 4.17Å; Y36-M51 WeakPolarHBondContact O-CE 3.37Å; V38-M51 HydrophobicContact CG2-CE 3.68Å; M51-D56 CarbonylContact C-O 3.4Å; M51-D56 WeakPolarHBondContact CA-O 3.47Å; M51-D56 WeakPolarHBondContact CB-O 3.47Å; M51-I57 HydrophobicContact CG-CG1 4.42Å
52N96.8Very high89.4Confident26 Ų2643.9 Ų43.914%0.13925%0.249CC..  trans-86.9-177.916869.114000110.9A30 N54 H55 D56 V58A30-N52 VanDerWaalsContact CB-C 3.48Å; N52-N54 PolarHBondContact O-N 3.3Å; N52-N54 WeakPolarHBondContact OD1-CA 3.28Å; N52-N54 WeakPolarHBondContact OD1-CB 3.32Å; N52-N54 PolarHBondContact OD1-N 3.36Å; N52-H55 PolarHBondContact O-N 2.9Å; N52-H55 VanDerWaalsContact O-N 3.16Å; N52-H55 PolarHBondContact OD1-N 3.12Å; N52-D56 PolarHBondContact N-O 3.29Å; N52-D56 PolarHBondContact ND2-OD2 3.11Å; N52-D56 PolarHBondContact OD1-N 3.46Å; N52-V58 HydrophobicContact CB-CG2 3.76Å
53C96.9Very high90.6Very high45 Ų4536.4 Ų36.430%0.30421%0.214SC..THydrogen-bonded Turntrans-65.3-14.3177.2-61.50000114.8
54N96.1Very high91.8Very high122 Ų12234.9 Ų34.965%0.65219%0.189SC*.THydrogen-bonded Turntrans-93.23177.7-58.4-23.6000112.4N52 D56N52-N54 PolarHBondContact O-N 3.3Å; N52-N54 WeakPolarHBondContact OD1-CA 3.28Å; N52-N54 WeakPolarHBondContact OD1-CB 3.32Å; N52-N54 PolarHBondContact OD1-N 3.36Å; N54-D56 VanDerWaalsContact C-N 3.26Å; N54-D56 WeakPolarHBondContact CB-OD2 3.16Å; N54-D56 PolarHBondContact O-N 3.37Å
55H93.8Very high93.3Very high124 Ų12434.9 Ų34.957%0.57419%0.185SC*.SBendtrans68.415.3-172.2-56.8-89.8000115.3N52N52-H55 PolarHBondContact O-N 2.9Å; N52-H55 VanDerWaalsContact O-N 3.16Å; N52-H55 PolarHBondContact OD1-N 3.12Å
56D95.3Very high94.3Very high89 Ų8933.9 Ų33.948%0.47618%0.178SC..  trans-76.7137.6170.8-47.9-52.8000109.8M51 N52 N54 V58M51-D56 CarbonylContact C-O 3.4Å; M51-D56 WeakPolarHBondContact CA-O 3.47Å; M51-D56 WeakPolarHBondContact CB-O 3.47Å; N52-D56 PolarHBondContact N-O 3.29Å; N52-D56 PolarHBondContact ND2-OD2 3.11Å; N52-D56 PolarHBondContact OD1-N 3.46Å; N54-D56 VanDerWaalsContact C-N 3.26Å; N54-D56 WeakPolarHBondContact CB-OD2 3.16Å; N54-D56 PolarHBondContact O-N 3.37Å; D56-V58 PolarHBondContact O-N 3.21Å
57I96Very high94.3Very high65 Ų6534.9 Ų34.933%0.33318%0.183SC..EExtended strand (participates in β ladder)trans-71.9119.9175.7-56.5172.8000109.1L49 M51 F173L49-I57 HydrophobicContact CB-CG2 4.43Å; L49-I57 HydrophobicContact CD1-CD1 4.24Å; L49-I57 HydrophobicContact CD2-CD1 4.48Å; L49-I57 HydrophobicContact CD2-CG2 3.95Å; M51-I57 HydrophobicContact CG-CG1 4.42Å; I57-F173 HydrophobicContact CB-CD1 4.07Å; I57-F173 HydrophobicContact CB-CD2 4.47Å; I57-F173 HydrophobicContact CB-CE1 4.35Å; I57-F173 HydrophobicContact CB-CG 4.14Å; I57-F173 HydrophobicContact CD1-CE2 4.43Å; I57-F173 HydrophobicContact CD1-CZ 4.25Å; I57-F173 HydrophobicContact CG2-CB 3.83Å; I57-F173 HydrophobicContact CG2-CD1 3.99Å; I57-F173 HydrophobicContact CG2-CD2 3.6Å; I57-F173 HydrophobicContact CG2-CE1 4.46Å; I57-F173 HydrophobicContact CG2-CE2 4.11Å; I57-F173 HydrophobicContact CG2-CG 3.52Å
58V97.2Very high93.4Very high22 Ų2235.3 Ų35.313%0.13319%0.185CC..EExtended strand (participates in β ladder)trans-94.1-38.2-180-178.90000111.3A23 V27 A50 N52 D56 F170 F173A23-V58 HydrophobicContact CB-CG1 3.77Å; V27-V58 HydrophobicContact CG2-CB 3.74Å; V27-V58 HydrophobicContact CG2-CG1 3.86Å; V27-V58 HydrophobicContact CG2-CG2 3.98Å; A50-V58 PolarHBondContact O-N 3.13Å; N52-V58 HydrophobicContact CB-CG2 3.76Å; D56-V58 PolarHBondContact O-N 3.21Å; V58-F170 HydrophobicContact CB-CZ 4.44Å; V58-F170 HydrophobicContact CG1-CE1 4.38Å; V58-F170 HydrophobicContact CG1-CZ 4.06Å; V58-F173 PolarHBondContact O-N 2.69Å
59G96.9Very high92Very high0 Ų038.9 Ų38.90%020%0.199CC..EExtended strand (participates in β ladder)trans-174.4174.2-174.700000114.9A50 Q171A50-G59 PolarHBondContact N-O 2.57Å; A50-G59 PolarHBondContact O-N 3.05Å; G59-Q171 CarbonylContact C-O 3.54Å; G59-Q171 WeakPolarHBondContact CA-O 3.47Å
60V96.6Very high90.5Very high25 Ų2537.3 Ų37.315%0.15219%0.192CC..EExtended strand (participates in β ladder)trans-106.9121.8175.4-177.90000108.8I40 A47 Y48 L49 K62 F170 Q171I40-V60 HydrophobicContact CD1-CG1 3.92Å; I40-V60 HydrophobicContact CD1-CG2 4.37Å; A47-V60 HydrophobicContact CB-CG1 4.27Å; Y48-V60 CarbonylContact O-C 3.25Å; Y48-V60 WeakPolarHBondContact O-CA 3.44Å; L49-V60 HydrophobicContact CD2-CG2 4.03Å; V60-K62 HydrophobicContact CG1-CG 4.28Å; V60-F170 WeakPolarHBondContact O-CA 3.15Å; V60-Q171 PolarHBondContact N-O 2.82Å; V60-Q171 PolarHBondContact O-N 3.06Å
61F96.9Very high88.9Confident0 Ų040.9 Ų40.90%022%0.221CC..EExtended strand (participates in β ladder)trans-103127.1174.8-178.7-117.2000111A47 Y48 P63 V124 L126 F131 K166 S169 F170A47-F61 WeakPolarHBondContact CA-O 3.4Å; Y48-F61 PolarHBondContact N-O 3.08Å; Y48-F61 PolarHBondContact O-N 3.23Å; F61-P63 HydrophobicContact CD1-CG 4.39Å; F61-P63 HydrophobicContact CE1-CB 3.76Å; F61-P63 HydrophobicContact CE1-CG 4.03Å; F61-P63 HydrophobicContact CZ-CB 4.05Å; F61-V124 HydrophobicContact CD2-CG2 3.6Å; F61-V124 HydrophobicContact CE2-CG2 3.42Å; F61-V124 VanDerWaalsContact CE2-CG2 3.42Å; F61-L126 HydrophobicContact CB-CD1 4.27Å; F61-L126 HydrophobicContact CD1-CB 4.45Å; F61-L126 HydrophobicContact CD1-CD1 4.2Å; F61-L126 HydrophobicContact CD2-CD1 3.98Å; F61-L126 HydrophobicContact CE1-CB 4.1Å; F61-L126 HydrophobicContact CE2-CD1 4.4Å; F61-L126 HydrophobicContact CG-CD1 3.89Å; F61-L126 HydrophobicContact CZ-CB 4.16Å; F61-F131 AromaticContact CD1-CE1 3.94Å; F61-F131 HydrophobicContact CD1-CE1 3.94Å; F61-F131 HydrophobicContact CD1-CE2 4.08Å; F61-F131 AromaticContact CD1-CZ 3.48Å; F61-F131 HydrophobicContact CD1-CZ 3.48Å; F61-F131 VanDerWaalsContact CD1-CZ 3.48Å; F61-F131 HydrophobicContact CE1-CD2 4.48Å; F61-F131 HydrophobicContact CE1-CE1 4.33Å; F61-F131 AromaticContact CE1-CE2 3.74Å; F61-F131 HydrophobicContact CE1-CE2 3.74Å; F61-F131 AromaticContact CE1-CZ 3.66Å; F61-F131 HydrophobicContact CE1-CZ 3.66Å; F61-K166 HydrophobicContact CE1-CB 4.4Å; F61-K166 HydrophobicContact CZ-CB 4.36Å; F61-K166 WeakPolarHBondContact CZ-O 3.11Å; F61-S169 CarbonylContact C-O 3.5Å; F61-S169 WeakPolarHBondContact CA-O 3.26Å; F61-S169 VanDerWaalsContact CD2-O 3.29Å; F61-S169 WeakPolarHBondContact CD2-O 3.44Å; F61-F170 HydrophobicContact CB-CD2 4.09Å; F61-F170 HydrophobicContact CD2-CB 4.37Å; F61-F170 HydrophobicContact CD2-CD2 4.35Å
62K95.1Very high87.4Confident28 Ų2841.1 Ų41.112%0.12222%0.223CC..EExtended strand (participates in β ladder)trans-119.895.2177.2-60.6-176.7-176.6176.10109.7A47 V60 K64 E103 G168 S169 D268A47-K62 HydrophobicContact CB-CG 3.98Å; V60-K62 HydrophobicContact CG1-CG 4.28Å; K62-K64 PolarHBondContact O-N 3.29Å; K62-E103 IonicContact NZ-OE1 2.93Å; K62-E103 PolarHBondContact NZ-OE1 2.87Å; K62-G168 WeakPolarHBondContact O-CA 3.4Å; K62-S169 PolarHBondContact N-O 3.46Å; K62-S169 PolarHBondContact O-N 3.4Å; K62-S169 VanDerWaalsContact O-N 3.12Å; K62-D268 IonicContact NZ-OD1 3.02Å; K62-D268 PolarHBondContact NZ-OD1 3.29Å
63P94.4Very high85.9Confident0 Ų040.6 Ų40.60%022%0.22CC..EExtended strand (participates in β ladder)trans-67.6132.6179.822.3-29.1000111.9G46 Y48 F61 N65 E66 K166G46-P63 WeakPolarHBondContact O-CD 3.1Å; Y48-P63 HydrophobicContact CD2-CG 4.21Å; Y48-P63 HydrophobicContact CE2-CG 3.83Å; F61-P63 HydrophobicContact CD1-CG 4.39Å; F61-P63 HydrophobicContact CE1-CB 3.76Å; F61-P63 HydrophobicContact CE1-CG 4.03Å; F61-P63 HydrophobicContact CZ-CB 4.05Å; P63-N65 PolarHBondContact O-N 3.42Å; P63-N65 VanDerWaalsContact O-N 3.16Å; P63-E66 HydrophobicContact CB-CG 4.36Å; P63-E66 HydrophobicContact CG-CB 3.96Å; P63-E66 HydrophobicContact CG-CG 3.76Å; P63-E66 PolarHBondContact O-N 2.92Å; P63-K166 HydrophobicContact CB-CB 3.99Å; P63-K166 HydrophobicContact CB-CD 3.94Å; P63-K166 HydrophobicContact CG-CD 4.41Å
64K92.2Very high84.1Confident33 Ų3340.2 Ų40.214%0.14322%0.217CC..G310 helixtrans-48.4-45177.7175.9-173178.7173.10111.8K62 E66 E67 N97 Y100 L167 D330K62-K64 PolarHBondContact O-N 3.29Å; K64-E66 PolarHBondContact O-N 3.15Å; K64-E67 WeakPolarHBondContact O-CG 3.38Å; K64-E67 PolarHBondContact O-N 3.42Å; K64-N97 VanDerWaalsContact CE-ND2 3.25Å; K64-N97 WeakPolarHBondContact CE-ND2 3.34Å; K64-N97 WeakPolarHBondContact CE-O 3.34Å; K64-N97 PolarHBondContact O-OD1 3.21Å; K64-Y100 HydrophobicContact CB-CD1 3.75Å; K64-Y100 HydrophobicContact CB-CE1 3.98Å; K64-Y100 HydrophobicContact CB-CG 4.29Å; K64-Y100 HydrophobicContact CD-CD1 4.18Å; K64-Y100 HydrophobicContact CD-CE1 3.55Å; K64-Y100 HydrophobicContact CG-CD1 3.79Å; K64-Y100 HydrophobicContact CG-CE1 3.69Å; K64-L167 WeakPolarHBondContact CB-O 3.36Å; K64-L167 PolarHBondContact N-O 3.07Å; K64-D330 VanDerWaalsContact CE-OD2 3.24Å; K64-D330 WeakPolarHBondContact CE-OD2 3.48Å; K64-D330 IonicContact NZ-OD1 3.67Å; K64-D330 PolarHBondContact NZ-OD1 2.81Å; K64-D330 IonicContact NZ-OD2 2.79Å; K64-D330 PolarHBondContact NZ-OD2 3.33Å
65N88.7Confident82.4Confident45 Ų4536.1 Ų36.124%0.24119%0.193CC..G310 helixtrans-76.5-0.3-174.867.42.8000114.7P63 S70 L72 K166P63-N65 PolarHBondContact O-N 3.42Å; P63-N65 VanDerWaalsContact O-N 3.16Å; N65-S70 VanDerWaalsContact C-OG 3.24Å; N65-S70 VanDerWaalsContact CA-OG 3.29Å; N65-S70 WeakPolarHBondContact CA-OG 3.3Å; N65-S70 VanDerWaalsContact O-CB 3.22Å; N65-S70 WeakPolarHBondContact O-CB 3.44Å; N65-S70 PolarHBondContact O-OG 3.27Å; N65-L72 HydrophobicContact CB-CD1 4.2Å; N65-L72 CarbonylContact O-C 3.53Å; N65-L72 VanDerWaalsContact O-CB 3.26Å; N65-L72 WeakPolarHBondContact O-CB 3.38Å; N65-L72 PolarHBondContact O-N 2.96Å; N65-K166 WeakPolarHBondContact OD1-CD 3.47Å; N65-K166 PolarHBondContact OD1-NZ 3.04Å; N65-K166 VanDerWaalsContact OD1-NZ 3.11Å
66E88.2Confident80.6Confident0 Ų040 Ų400%020%0.203CC..G310 helixtrans-115.612.4174.8-53.9-173.5-151.300113.1G46 Y48 P63 K64 N73 N132 K166G46-E66 PolarHBondContact N-O 2.88Å; Y48-E66 WeakPolarHBondContact CE2-OE2 3.31Å; Y48-E66 VanDerWaalsContact OH-CD 3.25Å; Y48-E66 PolarHBondContact OH-OE1 3.01Å; Y48-E66 PolarHBondContact OH-OE2 2.86Å; P63-E66 HydrophobicContact CB-CG 4.36Å; P63-E66 HydrophobicContact CG-CB 3.96Å; P63-E66 HydrophobicContact CG-CG 3.76Å; P63-E66 PolarHBondContact O-N 2.92Å; K64-E66 PolarHBondContact O-N 3.15Å; E66-N73 PolarHBondContact O-ND2 3.28Å; E66-N73 VanDerWaalsContact O-ND2 3.09Å; E66-N132 HydrophobicContact CG-CB 4.33Å; E66-N132 PolarHBondContact OE1-N 2.91Å; E66-K166 IonicContact OE1-NZ 2.75Å; E66-K166 PolarHBondContact OE1-NZ 2.89Å
67E81.3Confident78.9Confident22 Ų2238.6 Ų38.610%0.10320%0.204CC..SBendtrans-60.9160.2173.8-75-175.2-163.400112.3K64 Y69 S70 N73 N97 Q98 G99 Y100K64-E67 WeakPolarHBondContact O-CG 3.38Å; K64-E67 PolarHBondContact O-N 3.42Å; E67-Y69 PolarHBondContact O-N 3.3Å; E67-S70 WeakPolarHBondContact O-CB 3.28Å; E67-S70 PolarHBondContact O-N 3.11Å; E67-N73 VanDerWaalsContact C-ND2 3.29Å; E67-N73 WeakPolarHBondContact O-CB 3.43Å; E67-N73 PolarHBondContact O-ND2 3.45Å; E67-N97 VanDerWaalsContact OE2-C 3.29Å; E67-N97 VanDerWaalsContact OE2-CA 3.25Å; E67-N97 WeakPolarHBondContact OE2-CA 3.36Å; E67-Q98 PolarHBondContact OE2-N 3.04Å; E67-G99 VanDerWaalsContact CD-N 3.31Å; E67-G99 WeakPolarHBondContact OE1-CA 3.1Å; E67-G99 PolarHBondContact OE1-N 2.96Å; E67-G99 PolarHBondContact OE2-N 3.48Å; E67-Y100 PolarHBondContact OE1-N 2.9Å
68P72.5Confident77.1Confident18 Ų1837.1 Ų37.112%0.11720%0.195CC..THydrogen-bonded Turntrans-49.5-33.7-173.6-32.240.1000115.7S44 N73 K78S44-P68 WeakPolarHBondContact OG-CG 3.33Å; P68-N73 WeakPolarHBondContact CA-ND2 3.4Å; P68-K78 HydrophobicContact CB-CD 4.02Å
69Y67Low75.3Confident77 Ų7742.4 Ų42.430%0.30221%0.213SC..THydrogen-bonded Turntrans-102.6-0.3-177.9-57.7-74.8000113.2E67 G90 L96E67-Y69 PolarHBondContact O-N 3.3Å; Y69-G90 WeakPolarHBondContact OH-CA 3.37Å; Y69-G90 PolarHBondContact OH-N 3.42Å; Y69-L96 HydrophobicContact CG-CD2 4.47Å
70S64.8Low73.5Confident13 Ų1346.3 Ų46.39%0.09123%0.233CC..SBendtrans-80.3147-175.7-152.40000112.6N65 E67 L72 N73 R82 N97N65-S70 VanDerWaalsContact C-OG 3.24Å; N65-S70 VanDerWaalsContact CA-OG 3.29Å; N65-S70 WeakPolarHBondContact CA-OG 3.3Å; N65-S70 VanDerWaalsContact O-CB 3.22Å; N65-S70 WeakPolarHBondContact O-CB 3.44Å; N65-S70 PolarHBondContact O-OG 3.27Å; E67-S70 WeakPolarHBondContact O-CB 3.28Å; E67-S70 PolarHBondContact O-N 3.11Å; S70-L72 PolarHBondContact O-N 3.42Å; S70-L72 VanDerWaalsContact O-N 3.09Å; S70-N73 WeakPolarHBondContact O-CB 3.34Å; S70-N73 PolarHBondContact O-N 3.35Å; S70-R82 PolarHBondContact O-NH1 3.12Å; S70-N97 WeakPolarHBondContact CB-OD1 3.43Å; S70-N97 PolarHBondContact OG-OD1 3.48Å
71A63.3Low71.7Confident74 Ų7447.8 Ų47.861%0.61224%0.238SC*.THydrogen-bonded Turntrans-50-38.5-177.400000112.8R82A71-R82 PolarHBondContact O-NH2 2.98Å
72L66.2Low69.8Low36 Ų3651.3 Ų51.319%0.18825%0.252CS..THydrogen-bonded Turntrans-98.722.4-176.4-46.8170.4000113.2N65 S70 P74 N132N65-L72 HydrophobicContact CB-CD1 4.2Å; N65-L72 CarbonylContact O-C 3.53Å; N65-L72 VanDerWaalsContact O-CB 3.26Å; N65-L72 WeakPolarHBondContact O-CB 3.38Å; N65-L72 PolarHBondContact O-N 2.96Å; S70-L72 PolarHBondContact O-N 3.42Å; S70-L72 VanDerWaalsContact O-N 3.09Å; L72-P74 VanDerWaalsContact O-CD 3.24Å; L72-P74 WeakPolarHBondContact O-CD 3.4Å; L72-N132 PolarHBondContact O-ND2 3.03Å
73N65.3Low68.1Low15 Ų1554.2 Ų54.28%0.0827%0.268CS..  trans-59.2122.1170.1-169.7-71.2000110S44 E66 E67 P68 S70 K75 K78S44-N73 PolarHBondContact O-ND2 3.22Å; E66-N73 PolarHBondContact O-ND2 3.28Å; E66-N73 VanDerWaalsContact O-ND2 3.09Å; E67-N73 VanDerWaalsContact C-ND2 3.29Å; E67-N73 WeakPolarHBondContact O-CB 3.43Å; E67-N73 PolarHBondContact O-ND2 3.45Å; P68-N73 WeakPolarHBondContact CA-ND2 3.4Å; S70-N73 WeakPolarHBondContact O-CB 3.34Å; S70-N73 PolarHBondContact O-N 3.35Å; N73-K75 VanDerWaalsContact C-N 3.3Å; N73-K75 PolarHBondContact O-N 2.91Å; N73-K75 WeakPolarHBondContact OD1-CA 3.33Å; N73-K75 WeakPolarHBondContact OD1-CB 3.39Å; N73-K75 PolarHBondContact OD1-N 2.89Å; N73-K78 HydrophobicContact CB-CB 4.42Å
74P59.3Low66.5Low36 Ų3659.2 Ų59.223%0.23430%0.299CS..  trans-83.83.6-174.524.6-21.7000114.3R39 L72 N132R39-P74 VanDerWaalsContact NH2-CB 3.26Å; R39-P74 PolarHBondContact NH2-O 3.02Å; L72-P74 VanDerWaalsContact O-CD 3.24Å; L72-P74 WeakPolarHBondContact O-CD 3.4Å; P74-N132 HydrophobicContact CB-CB 4.25Å; P74-N132 HydrophobicContact CG-CB 4.35Å
75K59.1Low64.6Low37 Ų3759.5 Ų59.516%0.16130%0.304CS..  trans-96117.2177.4-61.4-167.9179.9-160.50109.7G41 E42 G43 N73 A77 K78 W79G41-K75 PolarHBondContact O-NZ 3.44Å; E42-K75 PolarHBondContact O-NZ 3.39Å; G43-K75 VanDerWaalsContact C-NZ 3.3Å; G43-K75 PolarHBondContact O-NZ 2.98Å; N73-K75 VanDerWaalsContact C-N 3.3Å; N73-K75 PolarHBondContact O-N 2.91Å; N73-K75 WeakPolarHBondContact OD1-CA 3.33Å; N73-K75 WeakPolarHBondContact OD1-CB 3.39Å; N73-K75 PolarHBondContact OD1-N 2.89Å; K75-A77 VanDerWaalsContact C-N 3.3Å; K75-A77 PolarHBondContact O-N 3.45Å; K75-K78 HydrophobicContact CB-CG 4.35Å; K75-K78 WeakPolarHBondContact O-CB 3.15Å; K75-K78 PolarHBondContact O-N 3.35Å; K75-W79 PolarHBondContact O-N 3.12Å
76W56.5Low62.8Low204 Ų20462 Ų6277%0.77332%0.323SS*.Hα-helixtrans-51.7-46.9178.1169.93.1000111.5K78 W79 L80W76-K78 PolarHBondContact O-N 2.82Å; W76-W79 CarbonylContact O-C 3.6Å; W76-W79 WeakPolarHBondContact O-CA 3.5Å; W76-W79 VanDerWaalsContact O-CB 3.29Å; W76-W79 WeakPolarHBondContact O-CB 3.26Å; W76-W79 PolarHBondContact O-N 2.92Å; W76-L80 PolarHBondContact O-N 3.41Å
77A59Low60.8Low60 Ų6067.5 Ų67.550%0.49636%0.36SS..Hα-helixtrans-51.5-35.9179.500000113.3K75 L80 Q81K75-A77 VanDerWaalsContact C-N 3.3Å; K75-A77 PolarHBondContact O-N 3.45Å; A77-L80 PolarHBondContact O-N 3.4Å; A77-Q81 WeakPolarHBondContact O-CB 3.43Å; A77-Q81 VanDerWaalsContact O-CG 3.25Å; A77-Q81 WeakPolarHBondContact O-CG 3.17Å; A77-Q81 PolarHBondContact O-N 3.48Å
78K57.8Low59.1Low34 Ų3469 Ų6915%0.14837%0.373CS..Hα-helixtrans-74.3-37.9175.5-68.6-61.3-179.5-175.10113.1P68 N73 K75 W76 L80 Q81 R82P68-K78 HydrophobicContact CB-CD 4.02Å; N73-K78 HydrophobicContact CB-CB 4.42Å; K75-K78 HydrophobicContact CB-CG 4.35Å; K75-K78 WeakPolarHBondContact O-CB 3.15Å; K75-K78 PolarHBondContact O-N 3.35Å; W76-K78 PolarHBondContact O-N 2.82Å; K78-L80 VanDerWaalsContact C-N 3.31Å; K78-L80 PolarHBondContact O-N 3.2Å; K78-Q81 VanDerWaalsContact CD-OE1 3.31Å; K78-Q81 PolarHBondContact O-N 3.32Å; K78-R82 WeakPolarHBondContact O-CB 3.47Å; K78-R82 PolarHBondContact O-N 3.33Å
79W61Low58.1Low133 Ų13372.6 Ų72.650%0.50439%0.387SS..Hα-helixtrans-58-44.4169-178.696.3000111.4K75 W76 R82 N83K75-W79 PolarHBondContact O-N 3.12Å; W76-W79 CarbonylContact O-C 3.6Å; W76-W79 WeakPolarHBondContact O-CA 3.5Å; W76-W79 VanDerWaalsContact O-CB 3.29Å; W76-W79 WeakPolarHBondContact O-CB 3.26Å; W76-W79 PolarHBondContact O-N 2.92Å; W79-R82 PolarHBondContact O-N 2.9Å; W79-N83 VanDerWaalsContact CE2-ND2 3.27Å; W79-N83 PolarHBondContact NE1-ND2 3.35Å; W79-N83 PolarHBondContact O-N 3.43Å; W79-N83 VanDerWaalsContact O-N 3.13Å; W79-N83 PolarHBondContact O-ND2 2.94Å
80L57.8Low57.7Low83 Ų8369.8 Ų69.844%0.43538%0.382SS..Hα-helixtrans-63-48.4177.6-174.172000111.2W76 A77 K78 R82 N83 V84W76-L80 PolarHBondContact O-N 3.41Å; A77-L80 PolarHBondContact O-N 3.4Å; K78-L80 VanDerWaalsContact C-N 3.31Å; K78-L80 PolarHBondContact O-N 3.2Å; L80-R82 VanDerWaalsContact C-N 3.29Å; L80-R82 PolarHBondContact O-N 3.45Å; L80-N83 PolarHBondContact O-N 3.07Å; L80-V84 HydrophobicContact CD1-CG2 3.63Å; L80-V84 HydrophobicContact CG-CG2 4.31Å; L80-V84 WeakPolarHBondContact O-CB 3.47Å; L80-V84 PolarHBondContact O-N 3.5Å
81Q58.5Low58.2Low55 Ų5571.3 Ų71.326%0.25739%0.385SS..Hα-helixtrans-56.6-41.9177.5-76.1173.17.600112.1A77 K78 F89A77-Q81 WeakPolarHBondContact O-CB 3.43Å; A77-Q81 VanDerWaalsContact O-CG 3.25Å; A77-Q81 WeakPolarHBondContact O-CG 3.17Å; A77-Q81 PolarHBondContact O-N 3.48Å; K78-Q81 VanDerWaalsContact CD-OE1 3.31Å; K78-Q81 PolarHBondContact O-N 3.32Å; Q81-F89 HydrophobicContact CB-CB 4.25Å; Q81-F89 HydrophobicContact CB-CD1 4.36Å; Q81-F89 HydrophobicContact CB-CG 4.21Å; Q81-F89 HydrophobicContact CG-CD1 3.82Å; Q81-F89 HydrophobicContact CG-CE1 4.14Å; Q81-F89 HydrophobicContact CG-CG 4.14Å
82R58.9Low59Low75 Ų7570.3 Ų70.328%0.28338%0.383SS..Hα-helixtrans-65.8-43.1178.7180173.568.1-148.84.5113S70 A71 K78 W79 L80S70-R82 PolarHBondContact O-NH1 3.12Å; A71-R82 PolarHBondContact O-NH2 2.98Å; K78-R82 WeakPolarHBondContact O-CB 3.47Å; K78-R82 PolarHBondContact O-N 3.33Å; W79-R82 PolarHBondContact O-N 2.9Å; L80-R82 VanDerWaalsContact C-N 3.29Å; L80-R82 PolarHBondContact O-N 3.45Å
83N58.5Low60.1Low88 Ų8868.8 Ų68.847%0.47138%0.375SS..Hα-helixtrans-89.9-27.6-169.2-69.4-76.6000113.7W79 L80W79-N83 VanDerWaalsContact CE2-ND2 3.27Å; W79-N83 PolarHBondContact NE1-ND2 3.35Å; W79-N83 PolarHBondContact O-N 3.43Å; W79-N83 VanDerWaalsContact O-N 3.13Å; W79-N83 PolarHBondContact O-ND2 2.94Å; L80-N83 PolarHBondContact O-N 3.07Å
84V60.2Low61.3Low106 Ų10668.9 Ų68.964%0.64238%0.375SS*.Hα-helixtrans-99.9-28.6-172.6-1790000112.9L80L80-V84 HydrophobicContact CD1-CG2 3.63Å; L80-V84 HydrophobicContact CG-CG2 4.31Å; L80-V84 WeakPolarHBondContact O-CB 3.47Å; L80-V84 PolarHBondContact O-N 3.5Å
85C53.6Low62.6Low38 Ų3868.6 Ų68.626%0.25737%0.373SS..  trans-147.158.7-175.2-160.60000113.4C87 C88 F89C85-C87 PolarHBondContact O-N 3.39Å; C85-C87 VanDerWaalsContact O-N 3.08Å; C85-C88 PolarHBondContact O-N 3.18Å; C85-C88 WeakPolarHBondContact SG-CB 3.28Å; C85-F89 HydrophobicContact CB-CD2 3.61Å; C85-F89 HydrophobicContact CB-CE2 3.55Å; C85-F89 VanDerWaalsContact O-CD2 3.25Å; C85-F89 WeakPolarHBondContact O-CD2 3.29Å
86P49.7Very low63.9Low98 Ų9873 Ų7364%0.63640%0.398SS*.THydrogen-bonded Turntrans-60.5-27.2-17223.5-33.6000114.3
87C47.5Very low65.2Low115 Ų11565.7 Ų65.778%0.77737%0.374SS*.THydrogen-bonded Turntrans-78.8-23.2-178.559.80000114.4C85C85-C87 PolarHBondContact O-N 3.39Å; C85-C87 VanDerWaalsContact O-N 3.08Å
88C45.1Very low66.7Low55 Ų5563.5 Ų63.537%0.37235%0.354SS..THydrogen-bonded Turntrans-96.5-13.7-177.8-62.70000112.8C85 R282C85-C88 PolarHBondContact O-N 3.18Å; C85-C88 WeakPolarHBondContact SG-CB 3.28Å; C88-R282 VanDerWaalsContact O-CZ 3.29Å; C88-R282 PolarHBondContact O-NH1 3Å; C88-R282 PolarHBondContact O-NH2 3.35Å
89F51.6Low68.3Low92 Ų9262.5 Ų62.540%0.40435%0.353SS..SBendtrans-119.3117.3-169.2-68.8-88.3000111.2Q81 C85Q81-F89 HydrophobicContact CB-CB 4.25Å; Q81-F89 HydrophobicContact CB-CD1 4.36Å; Q81-F89 HydrophobicContact CB-CG 4.21Å; Q81-F89 HydrophobicContact CG-CD1 3.82Å; Q81-F89 HydrophobicContact CG-CE1 4.14Å; Q81-F89 HydrophobicContact CG-CG 4.14Å; C85-F89 HydrophobicContact CB-CD2 3.61Å; C85-F89 HydrophobicContact CB-CE2 3.55Å; C85-F89 VanDerWaalsContact O-CD2 3.25Å; C85-F89 WeakPolarHBondContact O-CD2 3.29Å
90G59.2Low69.9Low19 Ų1956.3 Ų56.320%0.19633%0.329CS..SBendtrans145.6145.8-164.900000112.1Y69 G92 R282Y69-G90 WeakPolarHBondContact OH-CA 3.37Å; Y69-G90 PolarHBondContact OH-N 3.42Å; G90-G92 PolarHBondContact O-N 3.3Å; G90-R282 PolarHBondContact O-NH1 3.4Å; G90-R282 VanDerWaalsContact O-NH1 3.08Å
91R73.5Confident71.8Confident44 Ų4452.3 Ų52.317%0.16631%0.309CS..  trans-86.792.5159.3-63.5-162.1167.1152.24.2108.2C93 L94 T217 D218 L271 Y284R91-C93 PolarHBondContact O-N 2.75Å; R91-L94 HydrophobicContact CB-CB 4.29Å; R91-L94 HydrophobicContact CB-CD1 3.74Å; R91-L94 HydrophobicContact CB-CG 3.87Å; R91-L94 HydrophobicContact CG-CD1 4.23Å; R91-L94 PolarHBondContact O-N 2.92Å; R91-T217 WeakPolarHBondContact CD-OG1 3.27Å; R91-T217 VanDerWaalsContact NH1-CB 3.33Å; R91-T217 PolarHBondContact NH1-O 3.18Å; R91-T217 PolarHBondContact NH1-OG1 3.45Å; R91-T217 PolarHBondContact NH2-O 3.34Å; R91-D218 IonicContact CZ-OD1 3.54Å; R91-D218 VanDerWaalsContact NH1-N 3.16Å; R91-D218 IonicContact NH1-OD1 3.61Å; R91-D218 VanDerWaalsContact NH2-CG 3.32Å; R91-D218 IonicContact NH2-OD1 3.73Å; R91-D218 PolarHBondContact NH2-OD1 3.31Å; R91-L271 VanDerWaalsContact NH1-CB 3.26Å; R91-Y284 WeakPolarHBondContact CA-OH 3.26Å; R91-Y284 HydrophobicContact CB-CE2 4.21Å; R91-Y284 HydrophobicContact CG-CE1 3.81Å; R91-Y284 HydrophobicContact CG-CE2 4.15Å
92G81.3Confident73.6Confident54 Ų5449.9 Ų49.956%0.55730%0.298SS*.THydrogen-bonded Turntrans-62.52.7-175.500000116G90 F275G90-G92 PolarHBondContact O-N 3.3Å; G92-F275 WeakPolarHBondContact O-CZ 3.48Å
93C89.1Confident75.4Confident3 Ų346.6 Ų46.62%0.0229%0.285CS..THydrogen-bonded Turntrans-101.6-6.9170.658.60000113.7R91 P274 F275 K276R91-C93 PolarHBondContact O-N 2.75Å; C93-P274 HydrophobicContact CB-CB 3.99Å; C93-P274 CarbonylContact O-C 3.55Å; C93-P274 WeakPolarHBondContact O-CA 3.38Å; C93-P274 WeakPolarHBondContact O-CB 3.48Å; C93-F275 WeakPolarHBondContact O-CD1 3.46Å; C93-F275 WeakPolarHBondContact O-CE1 3.46Å; C93-F275 PolarHBondContact O-N 2.79Å; C93-K276 HydrophobicContact CB-CG 3.86Å; C93-K276 WeakPolarHBondContact CB-O 3.38Å
94L90.7Very high77.3Confident18 Ų1842.8 Ų42.89%0.09427%0.265CS..SBendtrans-102.9144179.4-63.8-178.8000111R91 L271 A272 P274R91-L94 HydrophobicContact CB-CB 4.29Å; R91-L94 HydrophobicContact CB-CD1 3.74Å; R91-L94 HydrophobicContact CB-CG 3.87Å; R91-L94 HydrophobicContact CG-CD1 4.23Å; R91-L94 PolarHBondContact O-N 2.92Å; L94-L271 HydrophobicContact CD1-CB 3.88Å; L94-L271 HydrophobicContact CD1-CD2 3.73Å; L94-L271 HydrophobicContact CD1-CG 4.42Å; L94-A272 WeakPolarHBondContact CD2-O 3.41Å; L94-P274 HydrophobicContact CD2-CB 3.8Å
95P87Confident79.1Confident29 Ų2937.8 Ų37.819%0.18824%0.235CC..PPolyproline II helixtrans-63.614916729.6-34.7000110.8Q98 T337P95-Q98 HydrophobicContact CB-CG 4.46Å; P95-Q98 VanDerWaalsContact CB-OE1 3.3Å; P95-Q98 HydrophobicContact CG-CB 4.23Å; P95-T337 HydrophobicContact CB-CG2 4.29Å
96L84.6Confident81.3Confident131 Ų13136 Ų3669%0.68622%0.223SC*.THydrogen-bonded Turntrans-78.1140.4179.5-64.8172.3000110.9Y69 Q98Y69-L96 HydrophobicContact CG-CD2 4.47Å; L96-Q98 VanDerWaalsContact C-N 3.3Å; L96-Q98 PolarHBondContact O-N 2.65Å
97N84.8Confident83.6Confident49 Ų4931.3 Ų31.326%0.26219%0.192SC..THydrogen-bonded Turntrans60.433.2167.3-158.857.2000114.9K64 E67 S70K64-N97 VanDerWaalsContact CE-ND2 3.25Å; K64-N97 WeakPolarHBondContact CE-ND2 3.34Å; K64-N97 WeakPolarHBondContact CE-O 3.34Å; K64-N97 PolarHBondContact O-OD1 3.21Å; E67-N97 VanDerWaalsContact OE2-C 3.29Å; E67-N97 VanDerWaalsContact OE2-CA 3.25Å; E67-N97 WeakPolarHBondContact OE2-CA 3.36Å; S70-N97 WeakPolarHBondContact CB-OD1 3.43Å; S70-N97 PolarHBondContact OG-OD1 3.48Å
98Q89.7Confident86Confident15 Ų1527.2 Ų27.27%0.0716%0.163CC..  trans-122.618.7177.6-69.7-174.1-9.800111.9E67 P95 L96 Y100 L101 S102E67-Q98 PolarHBondContact OE2-N 3.04Å; P95-Q98 HydrophobicContact CB-CG 4.46Å; P95-Q98 VanDerWaalsContact CB-OE1 3.3Å; P95-Q98 HydrophobicContact CG-CB 4.23Å; L96-Q98 VanDerWaalsContact C-N 3.3Å; L96-Q98 PolarHBondContact O-N 2.65Å; Q98-Y100 VanDerWaalsContact C-N 3.3Å; Q98-Y100 PolarHBondContact O-N 3.31Å; Q98-L101 HydrophobicContact CB-CD1 4.11Å; Q98-L101 HydrophobicContact CG-CD1 4.01Å; Q98-L101 WeakPolarHBondContact O-CB 3.44Å; Q98-L101 PolarHBondContact O-N 3.28Å; Q98-L101 VanDerWaalsContact O-N 3.1Å; Q98-S102 PolarHBondContact O-N 3.04Å
99G92.8Very high88.5Confident13 Ų1324.6 Ų24.613%0.13415%0.145CC..Hα-helixtrans-60.2-39.5-178.100000112.5E67 L101 S102 E103 G270E67-G99 VanDerWaalsContact CD-N 3.31Å; E67-G99 WeakPolarHBondContact OE1-CA 3.1Å; E67-G99 PolarHBondContact OE1-N 2.96Å; E67-G99 PolarHBondContact OE2-N 3.48Å; G99-L101 VanDerWaalsContact C-N 3.29Å; G99-L101 PolarHBondContact O-N 2.97Å; G99-S102 WeakPolarHBondContact O-CA 3.39Å; G99-S102 VanDerWaalsContact O-CB 3.23Å; G99-S102 WeakPolarHBondContact O-CB 3.49Å; G99-S102 PolarHBondContact O-N 3.11Å; G99-S102 VanDerWaalsContact O-N 3.08Å; G99-E103 WeakPolarHBondContact O-CG 2.88Å; G99-E103 PolarHBondContact O-N 3.21Å; G99-G270 VanDerWaalsContact CA-O 3.29Å; G99-G270 WeakPolarHBondContact CA-O 3.47Å; G99-G270 WeakPolarHBondContact O-CA 3.25Å
100Y94.6Very high90.8Very high2 Ų220.2 Ų20.21%0.00813%0.126CC..Hα-helixtrans-61-33.8175.283.2-76.2000113.6K64 E67 Q98 V104 V123 L167 I329 D330K64-Y100 HydrophobicContact CB-CD1 3.75Å; K64-Y100 HydrophobicContact CB-CE1 3.98Å; K64-Y100 HydrophobicContact CB-CG 4.29Å; K64-Y100 HydrophobicContact CD-CD1 4.18Å; K64-Y100 HydrophobicContact CD-CE1 3.55Å; K64-Y100 HydrophobicContact CG-CD1 3.79Å; K64-Y100 HydrophobicContact CG-CE1 3.69Å; E67-Y100 PolarHBondContact OE1-N 2.9Å; Q98-Y100 VanDerWaalsContact C-N 3.3Å; Q98-Y100 PolarHBondContact O-N 3.31Å; Y100-V104 WeakPolarHBondContact O-CG2 3.44Å; Y100-V104 PolarHBondContact O-N 3.24Å; Y100-V123 HydrophobicContact CD2-CG1 4.33Å; Y100-V123 HydrophobicContact CD2-CG2 4.25Å; Y100-V123 HydrophobicContact CE2-CG1 4.01Å; Y100-V123 HydrophobicContact CE2-CG2 4.16Å; Y100-L167 HydrophobicContact CE2-CD2 3.96Å; Y100-L167 HydrophobicContact CE2-CG 4.1Å; Y100-I329 HydrophobicContact CE2-CD1 4.29Å; Y100-D330 VanDerWaalsContact CE1-OD2 3.28Å; Y100-D330 WeakPolarHBondContact CE1-OD2 3.32Å; Y100-D330 PolarHBondContact OH-OD2 3.23Å
101L96.2Very high92.6Very high0 Ų022.4 Ų22.40%013%0.133CC..Hα-helixtrans-72.5-36174-61.9169.3000111.1Q98 G99 E103 V104 G105 L326 Y327 I329 D330Q98-L101 HydrophobicContact CB-CD1 4.11Å; Q98-L101 HydrophobicContact CG-CD1 4.01Å; Q98-L101 WeakPolarHBondContact O-CB 3.44Å; Q98-L101 PolarHBondContact O-N 3.28Å; Q98-L101 VanDerWaalsContact O-N 3.1Å; G99-L101 VanDerWaalsContact C-N 3.29Å; G99-L101 PolarHBondContact O-N 2.97Å; L101-E103 VanDerWaalsContact C-N 3.33Å; L101-V104 PolarHBondContact O-N 2.89Å; L101-G105 WeakPolarHBondContact O-CA 3.39Å; L101-G105 PolarHBondContact O-N 3.16Å; L101-L326 HydrophobicContact CD2-CD1 3.96Å; L101-L326 HydrophobicContact CD2-CG 4.11Å; L101-Y327 HydrophobicContact CB-CD2 4.25Å; L101-Y327 HydrophobicContact CB-CE1 4.41Å; L101-Y327 HydrophobicContact CB-CE2 3.95Å; L101-Y327 HydrophobicContact CD1-CD1 4.3Å; L101-Y327 HydrophobicContact CD1-CG 4.29Å; L101-I329 HydrophobicContact CD2-CD1 3.73Å; L101-I329 HydrophobicContact CD2-CG1 3.98Å; L101-D330 HydrophobicContact CD1-CB 3.88Å
102S97.1Very high93.7Very high4 Ų422.1 Ų22.13%0.02814%0.138CC..Hα-helixtrans-61.1-42.7174.6-159.10000111Q98 G99 G105 A106 N269 A272 F273Q98-S102 PolarHBondContact O-N 3.04Å; G99-S102 WeakPolarHBondContact O-CA 3.39Å; G99-S102 VanDerWaalsContact O-CB 3.23Å; G99-S102 WeakPolarHBondContact O-CB 3.49Å; G99-S102 PolarHBondContact O-N 3.11Å; G99-S102 VanDerWaalsContact O-N 3.08Å; S102-G105 PolarHBondContact O-N 3.25Å; S102-A106 PolarHBondContact O-N 3.27Å; S102-N269 PolarHBondContact OG-O 3.46Å; S102-N269 VanDerWaalsContact OG-O 3.08Å; S102-A272 VanDerWaalsContact OG-C 3.26Å; S102-A272 WeakPolarHBondContact OG-CA 3.35Å; S102-A272 WeakPolarHBondContact OG-CB 3.41Å; S102-A272 PolarHBondContact OG-N 2.86Å; S102-A272 PolarHBondContact OG-O 3.12Å; S102-F273 WeakPolarHBondContact O-CE2 3.43Å; S102-F273 WeakPolarHBondContact OG-CD2 3.47Å
103E97.3Very high94.5Very high5 Ų519.5 Ų19.52%0.02311%0.111CC..Hα-helixtrans-59.2-50.1173.6-67.1-75.2-17000112.7K62 G99 L101 A106 S107 T121 D268 N269 G270K62-E103 IonicContact NZ-OE1 2.93Å; K62-E103 PolarHBondContact NZ-OE1 2.87Å; G99-E103 WeakPolarHBondContact O-CG 2.88Å; G99-E103 PolarHBondContact O-N 3.21Å; L101-E103 VanDerWaalsContact C-N 3.33Å; E103-A106 PolarHBondContact O-N 3.45Å; E103-S107 PolarHBondContact O-N 3.43Å; E103-T121 HydrophobicContact CB-CG2 4.11Å; E103-D268 WeakPolarHBondContact OE1-CA 3.25Å; E103-N269 VanDerWaalsContact CD-N 3.26Å; E103-N269 PolarHBondContact OE1-N 2.97Å; E103-N269 WeakPolarHBondContact OE2-CA 3.34Å; E103-N269 WeakPolarHBondContact OE2-CB 3.45Å; E103-N269 PolarHBondContact OE2-N 3.21Å; E103-G270 VanDerWaalsContact CD-N 3.27Å; E103-G270 PolarHBondContact OE1-N 3.02Å; E103-G270 VanDerWaalsContact OE1-N 3.17Å
104V97.9Very high94.9Very high9 Ų921.8 Ų21.86%0.05513%0.127CC..Hα-helixtrans-69.8-37.5-179.21800000111Y100 L101 A106 S107 L108 T121 R122 V123 L326Y100-V104 WeakPolarHBondContact O-CG2 3.44Å; Y100-V104 PolarHBondContact O-N 3.24Å; L101-V104 PolarHBondContact O-N 2.89Å; V104-A106 VanDerWaalsContact C-N 3.32Å; V104-A106 PolarHBondContact O-N 3.38Å; V104-S107 WeakPolarHBondContact O-CB 3.3Å; V104-S107 PolarHBondContact O-N 3.24Å; V104-L108 PolarHBondContact O-N 2.94Å; V104-T121 HydrophobicContact CG2-CG2 3.93Å; V104-R122 VanDerWaalsContact CG2-C 3.44Å; V104-V123 HydrophobicContact CB-CG2 4.32Å; V104-V123 HydrophobicContact CG1-CG2 4.28Å; V104-V123 HydrophobicContact CG2-CG2 3.76Å; V104-L326 HydrophobicContact CB-CD1 4.09Å; V104-L326 HydrophobicContact CB-CD2 3.99Å; V104-L326 HydrophobicContact CG1-CD1 3.63Å; V104-L326 HydrophobicContact CG1-CD2 3.82Å; V104-L326 HydrophobicContact CG1-CG 4.4Å
105G98.3Very high95.2Very high0 Ų020.9 Ų20.90%012%0.122CC..Hα-helixtrans-62.6-37.617600000112.2L101 S102 L108 V109L101-G105 WeakPolarHBondContact O-CA 3.39Å; L101-G105 PolarHBondContact O-N 3.16Å; S102-G105 PolarHBondContact O-N 3.25Å; G105-L108 WeakPolarHBondContact O-CB 3.16Å; G105-L108 PolarHBondContact O-N 2.98Å; G105-V109 WeakPolarHBondContact O-CG2 3.43Å; G105-V109 PolarHBondContact O-N 3.37Å
106A98.6Very high95.8Very high0 Ų024.9 Ų24.90%014%0.142CC..Hα-helixtrans-63.2-42.7173.300000111.7S102 E103 V104 L108 V109 D110 I214 N269S102-A106 PolarHBondContact O-N 3.27Å; E103-A106 PolarHBondContact O-N 3.45Å; V104-A106 VanDerWaalsContact C-N 3.32Å; V104-A106 PolarHBondContact O-N 3.38Å; A106-L108 VanDerWaalsContact C-N 3.32Å; A106-L108 PolarHBondContact O-N 2.91Å; A106-V109 PolarHBondContact O-N 3.32Å; A106-D110 WeakPolarHBondContact O-CB 3.44Å; A106-D110 PolarHBondContact O-N 3.02Å; A106-I214 HydrophobicContact CB-CD1 3.99Å; A106-N269 HydrophobicContact CB-CB 3.39Å
107S98.2Very high96.4Very high0 Ų018.9 Ų18.90%011%0.11CC..Hα-helixtrans-63.8-36.3173.8-173.50000112.2E103 V104 N111 T121E103-S107 PolarHBondContact O-N 3.43Å; V104-S107 WeakPolarHBondContact O-CB 3.3Å; V104-S107 PolarHBondContact O-N 3.24Å; S107-N111 WeakPolarHBondContact O-CB 3.3Å; S107-N111 PolarHBondContact O-N 3Å; S107-N111 PolarHBondContact O-ND2 2.95Å; S107-T121 PolarHBondContact OG-N 3.32Å
108L97.9Very high97Very high29 Ų2917 Ų1715%0.15210%0.101CC..Hα-helixtrans-65.1-46.5175.8-171162.6000112V104 G105 A106 N111 S112 M319 E322 L323 L326V104-L108 PolarHBondContact O-N 2.94Å; G105-L108 WeakPolarHBondContact O-CB 3.16Å; G105-L108 PolarHBondContact O-N 2.98Å; A106-L108 VanDerWaalsContact C-N 3.32Å; A106-L108 PolarHBondContact O-N 2.91Å; L108-N111 PolarHBondContact O-N 3.21Å; L108-S112 WeakPolarHBondContact O-CB 3.17Å; L108-S112 PolarHBondContact O-N 2.8Å; L108-S112 PolarHBondContact O-OG 2.92Å; L108-M319 HydrophobicContact CD2-CG 4.31Å; L108-E322 HydrophobicContact CD1-CB 4Å; L108-E322 HydrophobicContact CD2-CB 4.02Å; L108-E322 HydrophobicContact CG-CB 4.45Å; L108-L323 HydrophobicContact CD1-CD2 4.28Å; L108-L323 HydrophobicContact CD2-CD2 4.27Å; L108-L323 HydrophobicContact CD2-CG 4.17Å; L108-L326 HydrophobicContact CD1-CD2 4.44Å
109V98.5Very high97.4Very high0 Ų016.6 Ų16.60%010%0.1CC..Hα-helixtrans-64.8-43.6177.6171.80000110.9G105 A106 N111 S112 L113 L210 I213 I214 F273 M319 L323G105-V109 WeakPolarHBondContact O-CG2 3.43Å; G105-V109 PolarHBondContact O-N 3.37Å; A106-V109 PolarHBondContact O-N 3.32Å; V109-N111 PolarHBondContact O-N 2.66Å; V109-S112 PolarHBondContact O-N 2.87Å; V109-L113 HydrophobicContact CG1-CD1 3.79Å; V109-L113 WeakPolarHBondContact O-CB 3.48Å; V109-L113 WeakPolarHBondContact O-CG 3.21Å; V109-L113 PolarHBondContact O-N 3.04Å; V109-L210 HydrophobicContact CB-CD1 4.34Å; V109-L210 HydrophobicContact CG1-CD1 4.08Å; V109-I213 HydrophobicContact CG1-CG2 3.93Å; V109-I214 HydrophobicContact CB-CG2 4.08Å; V109-I214 HydrophobicContact CG1-CG2 3.97Å; V109-I214 HydrophobicContact CG2-CG2 4.06Å; V109-F273 HydrophobicContact CG2-CE1 4.15Å; V109-F273 HydrophobicContact CG2-CZ 4Å; V109-M319 HydrophobicContact CB-SD 4.31Å; V109-M319 HydrophobicContact CG1-SD 4.07Å; V109-M319 HydrophobicContact CG2-CG 4.4Å; V109-M319 HydrophobicContact CG2-SD 3.93Å; V109-L323 HydrophobicContact CG2-CD1 4.23Å
110D98.7Very high97.6Very high1 Ų118.3 Ų18.31%0.00510%0.103CC..Hα-helixtrans-53.9-51.5174.4179.8102.4000111.8A106 L113 S114 L115 N116 I117 V118 L210A106-D110 WeakPolarHBondContact O-CB 3.44Å; A106-D110 PolarHBondContact O-N 3.02Å; D110-L113 CarbonylContact O-C 3.5Å; D110-L113 PolarHBondContact O-N 3.1Å; D110-S114 WeakPolarHBondContact O-CA 3.43Å; D110-S114 PolarHBondContact O-N 3.08Å; D110-L115 PolarHBondContact O-N 3.47Å; D110-L115 WeakPolarHBondContact OD1-CB 3.48Å; D110-N116 PolarHBondContact OD1-N 3.25Å; D110-N116 VanDerWaalsContact OD2-CA 3.3Å; D110-N116 WeakPolarHBondContact OD2-CA 3Å; D110-N116 PolarHBondContact OD2-N 3.37Å; D110-I117 WeakPolarHBondContact OD1-CG1 3.43Å; D110-I117 PolarHBondContact OD1-N 3.46Å; D110-V118 HydrophobicContact CB-CB 3.87Å; D110-V118 HydrophobicContact CB-CG2 3.72Å; D110-V118 PolarHBondContact OD1-N 3.09Å; D110-L210 HydrophobicContact CB-CD1 4.32Å
111N97.1Very high97.7Very high65 Ų6518.2 Ų18.235%0.34810%0.103SC..Hα-helixtrans-63.8-44-179.1-74.4-36.3000111.9S107 L108 V109 L113 S114S107-N111 WeakPolarHBondContact O-CB 3.3Å; S107-N111 PolarHBondContact O-N 3Å; S107-N111 PolarHBondContact O-ND2 2.95Å; L108-N111 PolarHBondContact O-N 3.21Å; V109-N111 PolarHBondContact O-N 2.66Å; N111-L113 VanDerWaalsContact C-N 3.26Å; N111-L113 PolarHBondContact O-N 3.36Å; N111-S114 PolarHBondContact O-N 2.92Å
112S97.1Very high97.8Very high37 Ų3719.7 Ų19.726%0.25911%0.109SC..Hα-helixtrans-58.4-41.5178-640000111.1L108 V109 K309 F315L108-S112 WeakPolarHBondContact O-CB 3.17Å; L108-S112 PolarHBondContact O-N 2.8Å; L108-S112 PolarHBondContact O-OG 2.92Å; V109-S112 PolarHBondContact O-N 2.87Å; S112-K309 PolarHBondContact O-NZ 3.33Å; S112-F315 VanDerWaalsContact O-CZ 3.3Å; S112-F315 WeakPolarHBondContact O-CZ 3.5Å
113L97.9Very high97.7Very high0 Ų020.2 Ų20.20%011%0.112CC..Hα-helixtrans-85.1-8.1178.4-67.3169.3000113.6V109 D110 N111 L115 V209 I213 K309 I310 F315V109-L113 HydrophobicContact CG1-CD1 3.79Å; V109-L113 WeakPolarHBondContact O-CB 3.48Å; V109-L113 WeakPolarHBondContact O-CG 3.21Å; V109-L113 PolarHBondContact O-N 3.04Å; D110-L113 CarbonylContact O-C 3.5Å; D110-L113 PolarHBondContact O-N 3.1Å; N111-L113 VanDerWaalsContact C-N 3.26Å; N111-L113 PolarHBondContact O-N 3.36Å; L113-L115 VanDerWaalsContact C-N 3.28Å; L113-L115 HydrophobicContact CB-CD1 4.02Å; L113-L115 HydrophobicContact CB-CD2 4.1Å; L113-L115 HydrophobicContact CB-CG 3.66Å; L113-L115 HydrophobicContact CD1-CD1 4.06Å; L113-V209 HydrophobicContact CD1-CG1 4.21Å; L113-I213 HydrophobicContact CD1-CD1 3.38Å; L113-K309 HydrophobicContact CD2-CB 4.25Å; L113-K309 HydrophobicContact CD2-CD 4.24Å; L113-K309 PolarHBondContact O-NZ 3.2Å; L113-I310 HydrophobicContact CD2-CG2 3.66Å; L113-F315 HydrophobicContact CD2-CE1 3.87Å; L113-F315 HydrophobicContact CD2-CZ 4.11Å
114S97.8Very high97.6Very high50 Ų5020 Ų2035%0.3511%0.111SC..THydrogen-bonded Turntrans58.139.5-176.6-42.30000112.5D110 N111 N116 K309D110-S114 WeakPolarHBondContact O-CA 3.43Å; D110-S114 PolarHBondContact O-N 3.08Å; N111-S114 PolarHBondContact O-N 2.92Å; S114-N116 PolarHBondContact O-ND2 3.24Å; S114-K309 PolarHBondContact OG-NZ 3.42Å
115L98.2Very high97.5Very high0 Ų022.5 Ų22.50%012%0.119CC..  trans-75.9-38.7179.6-58.5176000110.8D110 L113 I117 R206 V209 L210 L305 V306D110-L115 PolarHBondContact O-N 3.47Å; D110-L115 WeakPolarHBondContact OD1-CB 3.48Å; L113-L115 VanDerWaalsContact C-N 3.28Å; L113-L115 HydrophobicContact CB-CD1 4.02Å; L113-L115 HydrophobicContact CB-CD2 4.1Å; L113-L115 HydrophobicContact CB-CG 3.66Å; L113-L115 HydrophobicContact CD1-CD1 4.06Å; L115-I117 VanDerWaalsContact C-N 3.35Å; L115-I117 HydrophobicContact CB-CG1 4.1Å; L115-R206 HydrophobicContact CB-CB 4.31Å; L115-R206 HydrophobicContact CD2-CB 4.16Å; L115-R206 HydrophobicContact CD2-CG 4.1Å; L115-R206 WeakPolarHBondContact O-CD 3.5Å; L115-R206 PolarHBondContact O-NH1 3.36Å; L115-V209 HydrophobicContact CD1-CG1 4.07Å; L115-V209 HydrophobicContact CD2-CB 4.48Å; L115-V209 HydrophobicContact CD2-CG1 4.11Å; L115-L210 HydrophobicContact CD1-CB 3.82Å; L115-L210 HydrophobicContact CD1-CD1 4.49Å; L115-L305 HydrophobicContact CD2-CD2 4.41Å; L115-V306 HydrophobicContact CD2-CG2 4.3Å
116N97.6Very high97.3Very high112 Ų11222.5 Ų22.560%0.59912%0.119SC*.  trans58.743.2177.4-52.4-74.4000112.7D110 S114D110-N116 PolarHBondContact OD1-N 3.25Å; D110-N116 VanDerWaalsContact OD2-CA 3.3Å; D110-N116 WeakPolarHBondContact OD2-CA 3Å; D110-N116 PolarHBondContact OD2-N 3.37Å; S114-N116 PolarHBondContact O-ND2 3.24Å
117I97.8Very high97.1Very high5 Ų523.1 Ų23.13%0.02612%0.124CC..  trans-119.4-24.1177.658.5167.5000112.3D110 L115 P119 R206 M207 L210 A265 A266D110-I117 WeakPolarHBondContact OD1-CG1 3.43Å; D110-I117 PolarHBondContact OD1-N 3.46Å; L115-I117 VanDerWaalsContact C-N 3.35Å; L115-I117 HydrophobicContact CB-CG1 4.1Å; I117-P119 WeakPolarHBondContact O-CD 3.37Å; I117-R206 VanDerWaalsContact CD1-C 3.49Å; I117-R206 HydrophobicContact CD1-CB 4.16Å; I117-R206 WeakPolarHBondContact CD1-O 3.43Å; I117-R206 HydrophobicContact CG2-CB 4.02Å; I117-M207 HydrophobicContact CD1-CB 3.91Å; I117-L210 HydrophobicContact CD1-CB 4.11Å; I117-L210 HydrophobicContact CD1-CD2 3.94Å; I117-L210 HydrophobicContact CG1-CD2 4.29Å; I117-A265 CarbonylContact O-C 3.59Å; I117-A265 WeakPolarHBondContact O-CA 3.47Å; I117-A266 HydrophobicContact CD1-CB 4.15Å; I117-A266 HydrophobicContact CG1-CB 4.35Å; I117-A266 PolarHBondContact O-N 3.29Å
118V98.2Very high96.8Very high10 Ų1023.1 Ų23.16%0.06112%0.124CC..SBendtrans-84.1120.8174-176.90000109.1D110 K120 L210 A266D110-V118 HydrophobicContact CB-CB 3.87Å; D110-V118 HydrophobicContact CB-CG2 3.72Å; D110-V118 PolarHBondContact OD1-N 3.09Å; V118-K120 PolarHBondContact O-N 3.26Å; V118-L210 HydrophobicContact CG2-CD1 4.29Å; V118-L210 HydrophobicContact CG2-CD2 3.25Å; V118-L210 HydrophobicContact CG2-CG 4.39Å; V118-A266 HydrophobicContact CG2-CB 4.17Å
119P97.3Very high96.5Very high7 Ų725.2 Ų25.25%0.04514%0.14CC..PPolyproline II helixtrans-56.6140.4172.9-23.535.6000110.2I117 T121 Q171 V172 M174 A265 I267I117-P119 WeakPolarHBondContact O-CD 3.37Å; P119-T121 PolarHBondContact O-N 2.92Å; P119-T121 PolarHBondContact O-OG1 3.1Å; P119-Q171 HydrophobicContact CB-CG 3.78Å; P119-Q171 HydrophobicContact CG-CG 4.39Å; P119-V172 WeakPolarHBondContact CB-O 3.44Å; P119-M174 HydrophobicContact CB-CG 3.77Å; P119-M174 HydrophobicContact CB-SD 3.6Å; P119-M174 VanDerWaalsContact CB-SD 3.6Å; P119-M174 HydrophobicContact CG-CG 3.3Å; P119-M174 HydrophobicContact CG-SD 3.63Å; P119-A265 HydrophobicContact CG-CB 4.12Å; P119-I267 HydrophobicContact CG-CG2 4.12Å
120K96.9Very high96.2Very high49 Ų4928.1 Ų28.121%0.21316%0.157CC..PPolyproline II helixtrans-50.8119.7-174.3-172.4-178.2-73.3173.40110D17 E19 F20 V118 V172D17-K120 VanDerWaalsContact CG-NZ 3.26Å; D17-K120 IonicContact OD1-NZ 3.05Å; D17-K120 PolarHBondContact OD1-NZ 3.48Å; D17-K120 WeakPolarHBondContact OD2-CD 3.04Å; D17-K120 WeakPolarHBondContact OD2-CE 3.38Å; D17-K120 IonicContact OD2-NZ 2.91Å; D17-K120 PolarHBondContact OD2-NZ 2.93Å; E19-K120 IonicContact OE2-NZ 2.72Å; E19-K120 PolarHBondContact OE2-NZ 3.49Å; F20-K120 HydrophobicContact CB-CD 3.77Å; F20-K120 HydrophobicContact CD2-CD 3.69Å; F20-K120 HydrophobicContact CD2-CG 3.92Å; F20-K120 HydrophobicContact CG-CD 4.08Å; V118-K120 PolarHBondContact O-N 3.26Å; K120-V172 HydrophobicContact CB-CG2 4.1Å; K120-V172 PolarHBondContact O-N 2.81Å
121T97.7Very high96Very high0 Ų028.5 Ų28.50%016%0.159CC..EExtended strand (participates in β ladder)trans-127.3131.7-175.7-52.10000109.7E103 V104 S107 P119 F170 Q171E103-T121 HydrophobicContact CB-CG2 4.11Å; V104-T121 HydrophobicContact CG2-CG2 3.93Å; S107-T121 PolarHBondContact OG-N 3.32Å; P119-T121 PolarHBondContact O-N 2.92Å; P119-T121 PolarHBondContact O-OG1 3.1Å; T121-F170 VanDerWaalsContact CA-O 3.26Å; T121-F170 WeakPolarHBondContact CA-O 3.36Å; T121-Q171 HydrophobicContact CG2-CB 4.03Å; T121-Q171 WeakPolarHBondContact OG1-CB 3.46Å; T121-Q171 VanDerWaalsContact OG1-CG 3.31Å; T121-Q171 WeakPolarHBondContact OG1-CG 3.32Å; T121-Q171 PolarHBondContact OG1-NE2 3.44Å
122R96.8Very high95.7Very high31 Ų3127.9 Ų27.912%0.11716%0.156CC..EExtended strand (participates in β ladder)trans-137.3163.8177.8-60.1-72.5-176.4-96.71.4111Y3 F14 D17 F20 V104 S169 F170Y3-R122 VanDerWaalsContact CE1-NH2 3.31Å; F14-R122 HydrophobicContact CD1-CG 4.45Å; F14-R122 HydrophobicContact CE1-CB 3.97Å; F14-R122 HydrophobicContact CE1-CG 4.26Å; F14-R122 HydrophobicContact CZ-CB 4.38Å; D17-R122 IonicContact OD2-NH2 2.76Å; F20-R122 HydrophobicContact CD1-CB 4.28Å; F20-R122 HydrophobicContact CD1-CG 3.88Å; F20-R122 HydrophobicContact CD2-CG 4.25Å; F20-R122 HydrophobicContact CE1-CB 3.51Å; F20-R122 HydrophobicContact CE1-CG 3.61Å; F20-R122 HydrophobicContact CE2-CB 4.19Å; F20-R122 HydrophobicContact CE2-CG 3.99Å; F20-R122 HydrophobicContact CG-CG 4.21Å; F20-R122 HydrophobicContact CZ-CB 3.46Å; F20-R122 VanDerWaalsContact CZ-CB 3.46Å; F20-R122 HydrophobicContact CZ-CG 3.68Å; V104-R122 VanDerWaalsContact CG2-C 3.44Å; R122-S169 WeakPolarHBondContact O-CA 3.32Å; R122-F170 PolarHBondContact N-O 2.75Å; R122-F170 PolarHBondContact O-N 2.9Å
123V96Very high95.3Very high15 Ų1527 Ų279%0.09115%0.147CC..EExtended strand (participates in β ladder)trans-79.1127.9170.1-176.70000108.3F8 Y100 V104 L167 G168 L326 I329F8-V123 HydrophobicContact CE2-CG1 3.96Å; Y100-V123 HydrophobicContact CD2-CG1 4.33Å; Y100-V123 HydrophobicContact CD2-CG2 4.25Å; Y100-V123 HydrophobicContact CE2-CG1 4.01Å; Y100-V123 HydrophobicContact CE2-CG2 4.16Å; V104-V123 HydrophobicContact CB-CG2 4.32Å; V104-V123 HydrophobicContact CG1-CG2 4.28Å; V104-V123 HydrophobicContact CG2-CG2 3.76Å; V123-L167 HydrophobicContact CG1-CD1 3.38Å; V123-L167 HydrophobicContact CG1-CG 4.02Å; V123-G168 WeakPolarHBondContact CA-O 3.34Å; V123-L326 HydrophobicContact CG2-CD1 3.77Å; V123-I329 HydrophobicContact CB-CD1 4.16Å; V123-I329 HydrophobicContact CG1-CD1 3.9Å; V123-I329 HydrophobicContact CG2-CD1 3.66Å
124V95.8Very high94.9Very high1 Ų128.3 Ų28.31%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-132.9165.6177.2-51.50000110.8N12 F14 F20 I24 F61 L126 G168 F170N12-V124 WeakPolarHBondContact OD1-CA 3.22Å; F14-V124 HydrophobicContact CE2-CG1 4.42Å; F14-V124 HydrophobicContact CZ-CG1 3.99Å; F20-V124 HydrophobicContact CE1-CG1 3.99Å; F20-V124 HydrophobicContact CZ-CG1 4.05Å; I24-V124 HydrophobicContact CD1-CG1 3.87Å; I24-V124 HydrophobicContact CG1-CG1 4.18Å; F61-V124 HydrophobicContact CD2-CG2 3.6Å; F61-V124 HydrophobicContact CE2-CG2 3.42Å; F61-V124 VanDerWaalsContact CE2-CG2 3.42Å; V124-L126 HydrophobicContact CG2-CD1 4.24Å; V124-L126 HydrophobicContact CG2-CG 4.08Å; V124-G168 PolarHBondContact N-O 3.48Å; V124-G168 PolarHBondContact O-N 2.92Å; V124-F170 HydrophobicContact CB-CB 4.26Å; V124-F170 HydrophobicContact CG1-CB 3.66Å; V124-F170 HydrophobicContact CG1-CG 4.43Å; V124-F170 HydrophobicContact CG2-CB 3.53Å; V124-F170 HydrophobicContact CG2-CD2 4.28Å; V124-F170 HydrophobicContact CG2-CG 4.31Å
125R94.7Very high94.4Very high60 Ų6035 Ų3523%0.22618%0.179CC..EExtended strand (participates in β ladder)trans-119113.1173.1-74.3177.2173.7-173.6-1.2109.5F8 D10 N12 F165 K166 L167F8-R125 VanDerWaalsContact CZ-NE 3.34Å; D10-R125 IonicContact OD1-CZ 2.68Å; D10-R125 IonicContact OD1-NH1 2.64Å; D10-R125 PolarHBondContact OD1-NH1 2.64Å; D10-R125 IonicContact OD1-NH2 3.46Å; N12-R125 PolarHBondContact ND2-O 3.09Å; N12-R125 PolarHBondContact OD1-N 3.24Å; R125-F165 HydrophobicContact CB-CB 4.03Å; R125-F165 HydrophobicContact CB-CD1 4.26Å; R125-F165 HydrophobicContact CB-CG 4.2Å; R125-K166 VanDerWaalsContact CA-O 3.32Å; R125-K166 WeakPolarHBondContact CA-O 3.49Å; R125-L167 HydrophobicContact CG-CD1 3.85Å
126L95Very high93.9Very high1 Ų139.2 Ų39.21%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-123.1149.5177.2-67.6176.8000110.9V27 E28 I31 F61 V124 F131 K166 F170V27-L126 HydrophobicContact CG1-CD1 4.22Å; V27-L126 HydrophobicContact CG1-CD2 4.42Å; E28-L126 HydrophobicContact CG-CD2 4.18Å; I31-L126 HydrophobicContact CD1-CD2 4.33Å; F61-L126 HydrophobicContact CB-CD1 4.27Å; F61-L126 HydrophobicContact CD1-CB 4.45Å; F61-L126 HydrophobicContact CD1-CD1 4.2Å; F61-L126 HydrophobicContact CD2-CD1 3.98Å; F61-L126 HydrophobicContact CE1-CB 4.1Å; F61-L126 HydrophobicContact CE2-CD1 4.4Å; F61-L126 HydrophobicContact CG-CD1 3.89Å; F61-L126 HydrophobicContact CZ-CB 4.16Å; V124-L126 HydrophobicContact CG2-CD1 4.24Å; V124-L126 HydrophobicContact CG2-CG 4.08Å; L126-F131 HydrophobicContact CB-CE2 3.82Å; L126-F131 HydrophobicContact CB-CZ 4.05Å; L126-K166 PolarHBondContact N-O 2.99Å; L126-K166 VanDerWaalsContact N-O 3.07Å; L126-K166 PolarHBondContact O-N 3.38Å; L126-F170 HydrophobicContact CD1-CD2 4.08Å; L126-F170 HydrophobicContact CD1-CE2 4.32Å
127A93.3Very high93.4Very high12 Ų1236 Ų3610%0.09919%0.187CC..  trans-131.6123.4173.400000107.9I31 Y133 L163 F165I31-A127 WeakPolarHBondContact CG2-O 3.32Å; A127-Y133 WeakPolarHBondContact CA-OH 3.44Å; A127-L163 HydrophobicContact CB-CB 4.34Å; A127-F165 HydrophobicContact CB-CD1 3.73Å; A127-F165 HydrophobicContact CB-CE1 4.1Å; A127-F165 HydrophobicContact CB-CG 4.39Å
128A93.2Very high92.9Very high0 Ų039.3 Ų39.30%020%0.204CC..  trans-148.1141.4178.200000109.5I31 P37 T130 F131 Y133I31-A128 HydrophobicContact CD1-CB 4.34Å; I31-A128 HydrophobicContact CG1-CB 4.5Å; I31-A128 HydrophobicContact CG2-CB 4.47Å; P37-A128 HydrophobicContact CG-CB 4.33Å; A128-T130 PolarHBondContact O-N 2.72Å; A128-F131 HydrophobicContact CB-CD1 4.3Å; A128-F131 HydrophobicContact CB-CD2 4.06Å; A128-F131 HydrophobicContact CB-CE1 4.11Å; A128-F131 HydrophobicContact CB-CE2 3.86Å; A128-F131 HydrophobicContact CB-CG 4.28Å; A128-F131 HydrophobicContact CB-CZ 3.88Å; A128-F131 PolarHBondContact O-N 3.02Å; A128-Y133 WeakPolarHBondContact O-CE2 3.48Å
129P91.5Very high92.5Very high74 Ų7441.3 Ų41.348%0.48122%0.222SC..THydrogen-bonded Turntrans-55.6-23.7178.2-26.635.5000114.7Y36 F131 L163Y36-P129 HydrophobicContact CD1-CG 4.34Å; Y36-P129 HydrophobicContact CE1-CG 3.89Å; Y36-P129 HydrophobicContact CE2-CG 4.28Å; P129-F131 VanDerWaalsContact C-N 3.29Å; P129-F131 PolarHBondContact O-N 2.69Å; P129-L163 HydrophobicContact CB-CD1 4.2Å; P129-L163 HydrophobicContact CG-CD1 3.97Å
130T92.4Very high92Very high61 Ų6147.1 Ų47.137%0.37425%0.247SC..THydrogen-bonded Turntrans-76.1-11.7179.252.20000114.2Y36 P37 Y48 A128Y36-T130 HydrophobicContact CD2-CG2 4.29Å; Y36-T130 HydrophobicContact CG-CG2 4.21Å; P37-T130 VanDerWaalsContact O-CB 3.29Å; P37-T130 WeakPolarHBondContact O-CB 3.37Å; P37-T130 PolarHBondContact O-OG1 3.09Å; Y48-T130 WeakPolarHBondContact CE1-O 3.32Å; A128-T130 PolarHBondContact O-N 2.72Å
131F93.6Very high91.5Very high8 Ų845.9 Ų45.94%0.03524%0.242CC..SBendtrans-77.6156.8176.6-58.5-22.9000112.5P37 Y48 F61 L126 A128 P129 Y133 K166P37-F131 HydrophobicContact CB-CE1 3.95Å; P37-F131 HydrophobicContact CB-CZ 4.47Å; P37-F131 HydrophobicContact CG-CE1 4.02Å; P37-F131 HydrophobicContact CG-CZ 4.07Å; Y48-F131 AromaticContact CD1-CD1 3.79Å; Y48-F131 HydrophobicContact CD1-CD1 3.79Å; Y48-F131 AromaticContact CD1-CE1 3.93Å; Y48-F131 HydrophobicContact CD1-CE1 3.93Å; Y48-F131 AromaticContact CD2-CD1 3.88Å; Y48-F131 HydrophobicContact CD2-CD1 3.88Å; Y48-F131 AromaticContact CD2-CE1 3.88Å; Y48-F131 HydrophobicContact CD2-CE1 3.88Å; Y48-F131 AromaticContact CE1-CD1 3.72Å; Y48-F131 HydrophobicContact CE1-CD1 3.72Å; Y48-F131 HydrophobicContact CE1-CE1 4.33Å; Y48-F131 AromaticContact CE2-CD1 3.83Å; Y48-F131 HydrophobicContact CE2-CD1 3.83Å; Y48-F131 HydrophobicContact CE2-CE1 4.3Å; Y48-F131 AromaticContact CG-CD1 3.88Å; Y48-F131 HydrophobicContact CG-CD1 3.88Å; Y48-F131 AromaticContact CG-CE1 3.7Å; Y48-F131 HydrophobicContact CG-CE1 3.7Å; Y48-F131 AromaticContact CZ-CD1 3.75Å; F61-F131 AromaticContact CD1-CE1 3.94Å; F61-F131 HydrophobicContact CD1-CE1 3.94Å; F61-F131 HydrophobicContact CD1-CE2 4.08Å; F61-F131 AromaticContact CD1-CZ 3.48Å; F61-F131 HydrophobicContact CD1-CZ 3.48Å; F61-F131 VanDerWaalsContact CD1-CZ 3.48Å; F61-F131 HydrophobicContact CE1-CD2 4.48Å; F61-F131 HydrophobicContact CE1-CE1 4.33Å; F61-F131 AromaticContact CE1-CE2 3.74Å; F61-F131 HydrophobicContact CE1-CE2 3.74Å; F61-F131 AromaticContact CE1-CZ 3.66Å; F61-F131 HydrophobicContact CE1-CZ 3.66Å; L126-F131 HydrophobicContact CB-CE2 3.82Å; L126-F131 HydrophobicContact CB-CZ 4.05Å; A128-F131 HydrophobicContact CB-CD1 4.3Å; A128-F131 HydrophobicContact CB-CD2 4.06Å; A128-F131 HydrophobicContact CB-CE1 4.11Å; A128-F131 HydrophobicContact CB-CE2 3.86Å; A128-F131 HydrophobicContact CB-CG 4.28Å; A128-F131 HydrophobicContact CB-CZ 3.88Å; A128-F131 PolarHBondContact O-N 3.02Å; P129-F131 VanDerWaalsContact C-N 3.29Å; P129-F131 PolarHBondContact O-N 2.69Å; F131-Y133 HydrophobicContact CB-CD2 4.33Å; F131-Y133 HydrophobicContact CB-CE2 3.76Å; F131-Y133 WeakPolarHBondContact O-CD2 3.32Å; F131-Y133 PolarHBondContact O-N 3.39Å; F131-K166 HydrophobicContact CB-CD 3.82Å; F131-K166 HydrophobicContact CD2-CD 3.86Å; F131-K166 HydrophobicContact CD2-CG 4.34Å; F131-K166 HydrophobicContact CG-CD 4.13Å
132N90.6Very high91Very high53 Ų5351.3 Ų51.328%0.28327%0.268SS..  trans-83.593.7-177.6-172.120.9000113E66 L72 P74 K166E66-N132 HydrophobicContact CG-CB 4.33Å; E66-N132 PolarHBondContact OE1-N 2.91Å; L72-N132 PolarHBondContact O-ND2 3.03Å; P74-N132 HydrophobicContact CB-CB 4.25Å; P74-N132 HydrophobicContact CG-CB 4.35Å; N132-K166 VanDerWaalsContact C-NZ 3.34Å; N132-K166 PolarHBondContact O-NZ 3.05Å
133Y89.8Confident90.5Very high17 Ų1751.9 Ų51.97%0.06728%0.279CS..  trans-89.3150177.3-69.8-79.9000112.8A127 A128 F131 D137 L163 P164 K166A127-Y133 WeakPolarHBondContact CA-OH 3.44Å; A128-Y133 WeakPolarHBondContact O-CE2 3.48Å; F131-Y133 HydrophobicContact CB-CD2 4.33Å; F131-Y133 HydrophobicContact CB-CE2 3.76Å; F131-Y133 WeakPolarHBondContact O-CD2 3.32Å; F131-Y133 PolarHBondContact O-N 3.39Å; Y133-D137 HydrophobicContact CD1-CB 4.34Å; Y133-L163 HydrophobicContact CD2-CD1 4.45Å; Y133-L163 HydrophobicContact CD2-CD2 3.86Å; Y133-L163 HydrophobicContact CE1-CB 4.43Å; Y133-L163 HydrophobicContact CE2-CB 4.09Å; Y133-L163 HydrophobicContact CE2-CD1 3.9Å; Y133-L163 HydrophobicContact CE2-CD2 3.91Å; Y133-L163 HydrophobicContact CE2-CG 4.19Å; Y133-L163 HydrophobicContact CG-CD2 4.19Å; Y133-P164 HydrophobicContact CD1-CG 3.82Å; Y133-P164 HydrophobicContact CE1-CB 4.48Å; Y133-P164 HydrophobicContact CE1-CG 3.63Å; Y133-P164 WeakPolarHBondContact CE1-O 3.33Å; Y133-P164 PolarHBondContact OH-O 3.38Å; Y133-K166 HydrophobicContact CE1-CD 4.29Å; Y133-K166 HydrophobicContact CE1-CG 3.98Å
134S88Confident89.9Confident29 Ų2955 Ų5520%0.20329%0.291CS..  trans-70.1153.6174.175.10000110.7V136 D137 L138S134-V136 PolarHBondContact O-N 3.12Å; S134-V136 VanDerWaalsContact O-N 3.13Å; S134-V136 PolarHBondContact OG-N 3.41Å; S134-D137 WeakPolarHBondContact CB-OD2 3.1Å; S134-D137 PolarHBondContact N-OD2 3.28Å; S134-D137 PolarHBondContact O-N 3.4Å; S134-D137 PolarHBondContact OG-N 3.34Å; S134-D137 PolarHBondContact OG-OD2 3.02Å; S134-L138 PolarHBondContact O-N 2.87Å; S134-L138 VanDerWaalsContact O-N 3.09Å
135K88.3Confident89.5Confident191 Ų19159 Ų5983%0.8331%0.31SS*.Hα-helixtrans-55-31.4172.1-65.4-173.2179.6-175.90112.2A139K135-A139 VanDerWaalsContact O-CB 3.31Å; K135-A139 WeakPolarHBondContact O-CB 3.35Å; K135-A139 PolarHBondContact O-N 2.89Å
136V87.3Confident89.1Confident88 Ų8861.5 Ų61.553%0.53332%0.324SS..Hα-helixtrans-69.4-41.2177.1-1800000111.3S134 L138 K140S134-V136 PolarHBondContact O-N 3.12Å; S134-V136 VanDerWaalsContact O-N 3.13Å; S134-V136 PolarHBondContact OG-N 3.41Å; V136-L138 VanDerWaalsContact C-N 3.35Å; V136-K140 HydrophobicContact CG1-CD 4.25Å; V136-K140 WeakPolarHBondContact O-CB 3.39Å; V136-K140 VanDerWaalsContact O-CG 3.27Å; V136-K140 WeakPolarHBondContact O-CG 3.49Å; V136-K140 PolarHBondContact O-N 3.37Å
137D86.9Confident88.6Confident44 Ų4464.7 Ų64.724%0.23534%0.34CS..Hα-helixtrans-65.3-41.3177.3-63.4-43.3000111.2Y133 S134 K140 L141 P164Y133-D137 HydrophobicContact CD1-CB 4.34Å; S134-D137 WeakPolarHBondContact CB-OD2 3.1Å; S134-D137 PolarHBondContact N-OD2 3.28Å; S134-D137 PolarHBondContact O-N 3.4Å; S134-D137 PolarHBondContact OG-N 3.34Å; S134-D137 PolarHBondContact OG-OD2 3.02Å; D137-K140 PolarHBondContact O-N 3.48Å; D137-L141 PolarHBondContact O-N 2.73Å; D137-P164 HydrophobicContact CB-CG 4.13Å
138L88.6Confident88.1Confident74 Ų7469.1 Ų69.139%0.38736%0.355SS..Hα-helixtrans-66-46.7176.6-63.4177.2000111.6S134 V136 K140 L141 E142 L163S134-L138 PolarHBondContact O-N 2.87Å; S134-L138 VanDerWaalsContact O-N 3.09Å; V136-L138 VanDerWaalsContact C-N 3.35Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 2.93Å; L138-L141 WeakPolarHBondContact O-CB 2.92Å; L138-L141 PolarHBondContact O-N 2.89Å; L138-E142 WeakPolarHBondContact O-CG 3.36Å; L138-E142 PolarHBondContact O-N 2.85Å; L138-L163 HydrophobicContact CD2-CD2 3.87Å
139A88.7Confident87.7Confident52 Ų5276 Ų7643%0.4339%0.387SS..Hα-helixtrans-61.8-36.8176.100000112.6K135 L141 A143K135-A139 VanDerWaalsContact O-CB 3.31Å; K135-A139 WeakPolarHBondContact O-CB 3.35Å; K135-A139 PolarHBondContact O-N 2.89Å; A139-L141 VanDerWaalsContact C-N 3.34Å; A139-A143 WeakPolarHBondContact O-CB 3.34Å; A139-A143 PolarHBondContact O-N 2.92Å
140K86.6Confident87.5Confident129 Ų12979.4 Ų79.456%0.56140%0.396SS*.Hα-helixtrans-65.9-36.3173.4-78.4175.6-179.9176.50112.2V136 D137 L138 K144V136-K140 HydrophobicContact CG1-CD 4.25Å; V136-K140 WeakPolarHBondContact O-CB 3.39Å; V136-K140 VanDerWaalsContact O-CG 3.27Å; V136-K140 WeakPolarHBondContact O-CG 3.49Å; V136-K140 PolarHBondContact O-N 3.37Å; D137-K140 PolarHBondContact O-N 3.48Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 2.93Å; K140-K144 WeakPolarHBondContact O-CG 3.42Å; K140-K144 PolarHBondContact O-N 3.02Å; K140-K144 VanDerWaalsContact O-N 3.12Å
141L86.5Confident87.1Confident23 Ų2378.5 Ų78.512%0.1239%0.392CS..Hα-helixtrans-66-51.3175.4176.861.3000110.5D137 L138 A139 A143 K144 E145 G162 L163D137-L141 PolarHBondContact O-N 2.73Å; L138-L141 WeakPolarHBondContact O-CB 2.92Å; L138-L141 PolarHBondContact O-N 2.89Å; A139-L141 VanDerWaalsContact C-N 3.34Å; L141-A143 VanDerWaalsContact C-N 3.3Å; L141-A143 PolarHBondContact O-N 3.46Å; L141-K144 WeakPolarHBondContact O-CB 3.21Å; L141-K144 PolarHBondContact O-N 2.8Å; L141-E145 HydrophobicContact CD1-CG 4.22Å; L141-E145 WeakPolarHBondContact CD1-OE1 3.3Å; L141-E145 WeakPolarHBondContact O-CG 3.47Å; L141-E145 PolarHBondContact O-N 3.19Å; L141-G162 VanDerWaalsContact CD1-C 3.48Å; L141-L163 HydrophobicContact CD2-CD2 3.59Å; L141-L163 HydrophobicContact CD2-CG 3.86Å
142E87Confident86.4Confident115 Ų11581.1 Ų81.154%0.53741%0.41SS..Hα-helixtrans-55.4-45.2177.2-70.9172.9178.600111.4L138 K144 E145 Q146L138-E142 WeakPolarHBondContact O-CG 3.36Å; L138-E142 PolarHBondContact O-N 2.85Å; E142-K144 PolarHBondContact O-N 2.97Å; E142-E145 PolarHBondContact O-N 3.18Å; E142-Q146 WeakPolarHBondContact O-CB 3.27Å; E142-Q146 VanDerWaalsContact O-CG 3.32Å; E142-Q146 WeakPolarHBondContact O-CG 3.39Å; E142-Q146 PolarHBondContact O-N 3.44Å
143A85.7Confident86Confident42 Ų4284.4 Ų84.435%0.34742%0.424SS..Hα-helixtrans-61.9-41176.800000112.6A139 L141 I147A139-A143 WeakPolarHBondContact O-CB 3.34Å; A139-A143 PolarHBondContact O-N 2.92Å; L141-A143 VanDerWaalsContact C-N 3.3Å; L141-A143 PolarHBondContact O-N 3.46Å; A143-I147 WeakPolarHBondContact O-CD1 3.42Å; A143-I147 WeakPolarHBondContact O-CG1 3.34Å; A143-I147 PolarHBondContact O-N 3.46Å
144K85.4Confident85.2Confident82 Ų8287.2 Ų87.236%0.35744%0.439SS..Hα-helixtrans-65.9-41.8175.7-78.1179.8175.1-174.10111.9K140 L141 E142 I147 Y148 F158 L161K140-K144 WeakPolarHBondContact O-CG 3.42Å; K140-K144 PolarHBondContact O-N 3.02Å; K140-K144 VanDerWaalsContact O-N 3.12Å; L141-K144 WeakPolarHBondContact O-CB 3.21Å; L141-K144 PolarHBondContact O-N 2.8Å; E142-K144 PolarHBondContact O-N 2.97Å; K144-I147 PolarHBondContact O-N 2.85Å; K144-Y148 WeakPolarHBondContact O-CB 3.44Å; K144-Y148 PolarHBondContact O-N 3.28Å; K144-F158 HydrophobicContact CB-CD2 4.18Å; K144-F158 HydrophobicContact CB-CE2 4.03Å; K144-F158 HydrophobicContact CG-CD2 4.3Å; K144-F158 HydrophobicContact CG-CE2 4.18Å; K144-F158 HydrophobicContact CG-CZ 4.27Å; K144-F158 VanDerWaalsContact O-CE2 3.26Å; K144-F158 WeakPolarHBondContact O-CE2 3.34Å; K144-L161 HydrophobicContact CB-CD2 4.39Å
145E86.2Confident84.1Confident83 Ų8386 Ų8639%0.38843%0.43SS..Hα-helixtrans-63.6-43.5177.3-72.1175.9177.800111.1L141 E142 Y148 Q149L141-E145 HydrophobicContact CD1-CG 4.22Å; L141-E145 WeakPolarHBondContact CD1-OE1 3.3Å; L141-E145 WeakPolarHBondContact O-CG 3.47Å; L141-E145 PolarHBondContact O-N 3.19Å; E142-E145 PolarHBondContact O-N 3.18Å; E145-Y148 PolarHBondContact O-N 3.06Å; E145-Q149 VanDerWaalsContact O-CG 3.32Å; E145-Q149 WeakPolarHBondContact O-CG 3.34Å; E145-Q149 PolarHBondContact O-N 3.03Å
146Q85.8Confident83.4Confident113 Ų11386.8 Ų86.853%0.52843%0.428SS..Hα-helixtrans-62.2-46.9174.8-73.2176.81.300112.3E142 Y148 Q149 H150E142-Q146 WeakPolarHBondContact O-CB 3.27Å; E142-Q146 VanDerWaalsContact O-CG 3.32Å; E142-Q146 WeakPolarHBondContact O-CG 3.39Å; E142-Q146 PolarHBondContact O-N 3.44Å; Q146-Y148 VanDerWaalsContact C-N 3.28Å; Q146-Y148 PolarHBondContact O-N 3.34Å; Q146-Q149 PolarHBondContact O-N 3.36Å; Q146-H150 WeakPolarHBondContact O-CB 3.5Å; Q146-H150 PolarHBondContact O-N 3.06Å; Q146-H150 PolarHBondContact O-ND1 2.99Å
147I84.5Confident82.6Confident69 Ų6991.7 Ų91.735%0.35444%0.439SS..Hα-helixtrans-63.2-38.1178-66.8162.5000110.7A143 K144 C151 I154 F158A143-I147 WeakPolarHBondContact O-CD1 3.42Å; A143-I147 WeakPolarHBondContact O-CG1 3.34Å; A143-I147 PolarHBondContact O-N 3.46Å; K144-I147 PolarHBondContact O-N 2.85Å; I147-C151 HydrophobicContact CG2-CB 4.44Å; I147-C151 CarbonylContact O-C 3.27Å; I147-C151 VanDerWaalsContact O-C 3.27Å; I147-C151 VanDerWaalsContact O-CA 3.3Å; I147-C151 WeakPolarHBondContact O-CA 3.45Å; I147-C151 WeakPolarHBondContact O-CB 3.15Å; I147-C151 PolarHBondContact O-N 3.19Å; I147-I154 HydrophobicContact CG2-CB 4.16Å; I147-I154 HydrophobicContact CG2-CG2 3.79Å; I147-F158 HydrophobicContact CB-CE2 3.87Å; I147-F158 HydrophobicContact CB-CZ 3.73Å; I147-F158 HydrophobicContact CD1-CZ 4.01Å; I147-F158 HydrophobicContact CG2-CE2 3.84Å; I147-F158 HydrophobicContact CG2-CZ 3.48Å; I147-F158 VanDerWaalsContact CG2-CZ 3.48Å
148Y83.4Confident81.9Confident105 Ų10592 Ų9241%0.41244%0.438SS..Hα-helixtrans-64.8-41.8176.8-177-94.8000112.3K144 E145 Q146 P152 L161K144-Y148 WeakPolarHBondContact O-CB 3.44Å; K144-Y148 PolarHBondContact O-N 3.28Å; E145-Y148 PolarHBondContact O-N 3.06Å; Q146-Y148 VanDerWaalsContact C-N 3.28Å; Q146-Y148 PolarHBondContact O-N 3.34Å; Y148-P152 WeakPolarHBondContact O-CA 3.08Å; Y148-L161 HydrophobicContact CD1-CD1 4Å; Y148-L161 HydrophobicContact CD2-CD1 3.41Å; Y148-L161 VanDerWaalsContact CD2-CD1 3.41Å; Y148-L161 HydrophobicContact CD2-CD2 4.38Å; Y148-L161 HydrophobicContact CD2-CG 4.4Å; Y148-L161 HydrophobicContact CE1-CD1 4.12Å; Y148-L161 HydrophobicContact CE2-CD1 3.54Å; Y148-L161 HydrophobicContact CG-CD1 3.64Å; Y148-L161 HydrophobicContact CG-CD2 4.14Å
149Q85.6Confident80.6Confident143 Ų14396.6 Ų96.667%0.66846%0.463SS*.Hα-helixtrans-67.6-42.9177.3-71.7174.41.600112.7E145 Q146E145-Q149 VanDerWaalsContact O-CG 3.32Å; E145-Q149 WeakPolarHBondContact O-CG 3.34Å; E145-Q149 PolarHBondContact O-N 3.03Å; Q146-Q149 PolarHBondContact O-N 3.36Å
150H87.5Confident79.6Confident146 Ų14698.8 Ų98.868%0.67646%0.46SS*.Hα-helixtrans-86.6-35-175.4-66.883.8000113.5Q146Q146-H150 WeakPolarHBondContact O-CB 3.5Å; Q146-H150 PolarHBondContact O-N 3.06Å; Q146-H150 PolarHBondContact O-ND1 2.99Å
151C83Confident78.8Confident42 Ų4295.9 Ų95.928%0.28445%0.45SS..  trans-130.471.8-178-680000110.9I147 H153 I154 G155I147-C151 HydrophobicContact CG2-CB 4.44Å; I147-C151 CarbonylContact O-C 3.27Å; I147-C151 VanDerWaalsContact O-C 3.27Å; I147-C151 VanDerWaalsContact O-CA 3.3Å; I147-C151 WeakPolarHBondContact O-CA 3.45Å; I147-C151 WeakPolarHBondContact O-CB 3.15Å; I147-C151 PolarHBondContact O-N 3.19Å; C151-H153 PolarHBondContact O-N 2.89Å; C151-I154 HydrophobicContact CB-CB 4.18Å; C151-I154 HydrophobicContact CB-CD1 3.98Å; C151-I154 HydrophobicContact CB-CG1 4.27Å; C151-I154 PolarHBondContact O-N 3.16Å; C151-G155 PolarHBondContact O-N 3.46Å
152P78.9Confident78.6Confident63 Ų6396.2 Ų96.241%0.40946%0.459SS..Hα-helixtrans-56.6-30.1-176.8-25.132.9000113.8Y148 I154 G155 R156Y148-P152 WeakPolarHBondContact O-CA 3.08Å; P152-I154 VanDerWaalsContact C-N 3.33Å; P152-I154 PolarHBondContact O-N 3.42Å; P152-G155 PolarHBondContact O-N 3.46Å; P152-R156 VanDerWaalsContact O-CG 3.28Å; P152-R156 WeakPolarHBondContact O-CG 3.38Å; P152-R156 PolarHBondContact O-N 3.34Å
153H81.2Confident78.6Confident123 Ų12392 Ų9257%0.56944%0.44SS*.Hα-helixtrans-63.8-34.8176.166.7-79.4000112.8C151 Y157C151-H153 PolarHBondContact O-N 2.89Å; H153-Y157 VanDerWaalsContact O-CD2 3.27Å; H153-Y157 WeakPolarHBondContact O-CD2 3.39Å; H153-Y157 WeakPolarHBondContact O-CE2 3.31Å
154I73Confident78.7Confident76 Ų7692.4 Ų92.439%0.3944%0.439SS..Hα-helixtrans-79.7-43.2172.4-64.4170.5000109.8I147 C151 P152 R156 Y157I147-I154 HydrophobicContact CG2-CB 4.16Å; I147-I154 HydrophobicContact CG2-CG2 3.79Å; C151-I154 HydrophobicContact CB-CB 4.18Å; C151-I154 HydrophobicContact CB-CD1 3.98Å; C151-I154 HydrophobicContact CB-CG1 4.27Å; C151-I154 PolarHBondContact O-N 3.16Å; P152-I154 VanDerWaalsContact C-N 3.33Å; P152-I154 PolarHBondContact O-N 3.42Å; I154-R156 PolarHBondContact O-N 2.83Å; I154-Y157 WeakPolarHBondContact O-CB 3.16Å; I154-Y157 PolarHBondContact O-N 3.38Å
155G66.1Low79Confident2 Ų292.9 Ų92.92%0.02144%0.441CS..Hα-helixtrans-59.6-28.9-177.500000114.3C151 P152 Y157 F158C151-G155 PolarHBondContact O-N 3.46Å; P152-G155 PolarHBondContact O-N 3.46Å; G155-Y157 PolarHBondContact O-N 3.01Å; G155-F158 WeakPolarHBondContact O-CB 3.46Å; G155-F158 WeakPolarHBondContact O-CD2 3.47Å; G155-F158 WeakPolarHBondContact O-CG 3.33Å; G155-F158 PolarHBondContact O-N 3.48Å
156R72.5Confident79.3Confident208 Ų20889.1 Ų89.179%0.78542%0.424SS*.THydrogen-bonded Turntrans-61.3-22173.4-77.6172.3-173.6-169.92.2114P152 I154 F158P152-R156 VanDerWaalsContact O-CG 3.28Å; P152-R156 WeakPolarHBondContact O-CG 3.38Å; P152-R156 PolarHBondContact O-N 3.34Å; I154-R156 PolarHBondContact O-N 2.83Å; R156-F158 VanDerWaalsContact C-N 3.33Å
157Y71Confident79.7Confident192 Ų19285.4 Ų85.475%0.75341%0.407SS*.THydrogen-bonded Turntrans-85.6-4.2175.5-61.7-77.6000113.1H153 I154 G155 N159H153-Y157 VanDerWaalsContact O-CD2 3.27Å; H153-Y157 WeakPolarHBondContact O-CD2 3.39Å; H153-Y157 WeakPolarHBondContact O-CE2 3.31Å; I154-Y157 WeakPolarHBondContact O-CB 3.16Å; I154-Y157 PolarHBondContact O-N 3.38Å; G155-Y157 PolarHBondContact O-N 3.01Å; Y157-N159 PolarHBondContact O-N 2.94Å
158F73.6Confident80.2Confident50 Ų5082.1 Ų82.122%0.21939%0.39CS..  trans-71.4115.2172.7-62-28.9000109.9K144 I147 G155 R156 R160 L161K144-F158 HydrophobicContact CB-CD2 4.18Å; K144-F158 HydrophobicContact CB-CE2 4.03Å; K144-F158 HydrophobicContact CG-CD2 4.3Å; K144-F158 HydrophobicContact CG-CE2 4.18Å; K144-F158 HydrophobicContact CG-CZ 4.27Å; K144-F158 VanDerWaalsContact O-CE2 3.26Å; K144-F158 WeakPolarHBondContact O-CE2 3.34Å; I147-F158 HydrophobicContact CB-CE2 3.87Å; I147-F158 HydrophobicContact CB-CZ 3.73Å; I147-F158 HydrophobicContact CD1-CZ 4.01Å; I147-F158 HydrophobicContact CG2-CE2 3.84Å; I147-F158 HydrophobicContact CG2-CZ 3.48Å; I147-F158 VanDerWaalsContact CG2-CZ 3.48Å; G155-F158 WeakPolarHBondContact O-CB 3.46Å; G155-F158 WeakPolarHBondContact O-CD2 3.47Å; G155-F158 WeakPolarHBondContact O-CG 3.33Å; G155-F158 PolarHBondContact O-N 3.48Å; R156-F158 VanDerWaalsContact C-N 3.33Å; F158-R160 PolarHBondContact O-N 2.81Å; F158-L161 HydrophobicContact CD2-CD2 4.05Å
159N60Low80.8Confident170 Ų17077.2 Ų77.291%0.90937%0.371SS*.SBendtrans-53.5-25.6177.6-64.1-15.7000113.4Y157Y157-N159 PolarHBondContact O-N 2.94Å
160R67.2Low81.4Confident99 Ų9970.4 Ų70.437%0.37434%0.34SS..  trans-159.8135172.8-168.6177.9-176.7-164.712.6111.2F158 L163F158-R160 PolarHBondContact O-N 2.81Å; R160-L163 PolarHBondContact NH1-O 2.96Å
161L70.3Confident81.9Confident68 Ų6864.2 Ų64.236%0.35631%0.311SS..  trans-94.1130.4159.3-70.3158.2000108K144 Y148 F158K144-L161 HydrophobicContact CB-CD2 4.39Å; Y148-L161 HydrophobicContact CD1-CD1 4Å; Y148-L161 HydrophobicContact CD2-CD1 3.41Å; Y148-L161 VanDerWaalsContact CD2-CD1 3.41Å; Y148-L161 HydrophobicContact CD2-CD2 4.38Å; Y148-L161 HydrophobicContact CD2-CG 4.4Å; Y148-L161 HydrophobicContact CE1-CD1 4.12Å; Y148-L161 HydrophobicContact CE2-CD1 3.54Å; Y148-L161 HydrophobicContact CG-CD1 3.64Å; Y148-L161 HydrophobicContact CG-CD2 4.14Å; F158-L161 HydrophobicContact CD2-CD2 4.05Å
162G81.8Confident82.6Confident29 Ų2964.2 Ų64.230%0.29931%0.31SS..SBendtrans124.5169.2-17700000113.9L141L141-G162 VanDerWaalsContact CD1-C 3.48Å
163L87.4Confident83.3Confident26 Ų2665.2 Ų65.214%0.13631%0.308CS..SBendtrans-57143-176.8-70163000111.7A127 P129 Y133 L138 L141 R160 F165A127-L163 HydrophobicContact CB-CB 4.34Å; P129-L163 HydrophobicContact CB-CD1 4.2Å; P129-L163 HydrophobicContact CG-CD1 3.97Å; Y133-L163 HydrophobicContact CD2-CD1 4.45Å; Y133-L163 HydrophobicContact CD2-CD2 3.86Å; Y133-L163 HydrophobicContact CE1-CB 4.43Å; Y133-L163 HydrophobicContact CE2-CB 4.09Å; Y133-L163 HydrophobicContact CE2-CD1 3.9Å; Y133-L163 HydrophobicContact CE2-CD2 3.91Å; Y133-L163 HydrophobicContact CE2-CG 4.19Å; Y133-L163 HydrophobicContact CG-CD2 4.19Å; L138-L163 HydrophobicContact CD2-CD2 3.87Å; L141-L163 HydrophobicContact CD2-CD2 3.59Å; L141-L163 HydrophobicContact CD2-CG 3.86Å; R160-L163 PolarHBondContact NH1-O 2.96Å; L163-F165 PolarHBondContact O-N 3.44Å
164P88.9Confident83.8Confident52 Ų5261.6 Ų61.634%0.33829%0.292SS..PPolyproline II helixtrans-63.1139.6177.420.4-24.5000110.6Y133 D137 K166Y133-P164 HydrophobicContact CD1-CG 3.82Å; Y133-P164 HydrophobicContact CE1-CB 4.48Å; Y133-P164 HydrophobicContact CE1-CG 3.63Å; Y133-P164 WeakPolarHBondContact CE1-O 3.33Å; Y133-P164 PolarHBondContact OH-O 3.38Å; D137-P164 HydrophobicContact CB-CG 4.13Å; P164-K166 PolarHBondContact O-N 2.73Å
165F91.6Very high84.6Confident92 Ų9265.5 Ų65.540%0.40431%0.308SS..PPolyproline II helixtrans-63.7135.5172.5-77.5-64.4000110.3R125 A127 L163R125-F165 HydrophobicContact CB-CB 4.03Å; R125-F165 HydrophobicContact CB-CD1 4.26Å; R125-F165 HydrophobicContact CB-CG 4.2Å; A127-F165 HydrophobicContact CB-CD1 3.73Å; A127-F165 HydrophobicContact CB-CE1 4.1Å; A127-F165 HydrophobicContact CB-CG 4.39Å; L163-F165 PolarHBondContact O-N 3.44Å
166K92.9Very high85.6Confident3 Ų367.3 Ų67.31%0.01333%0.327CS..EExtended strand (participates in β ladder)trans-96128.8169.4-65.1-170.5170.7-143.40109.3F61 P63 N65 E66 R125 L126 F131 N132 Y133 P164F61-K166 HydrophobicContact CE1-CB 4.4Å; F61-K166 HydrophobicContact CZ-CB 4.36Å; F61-K166 WeakPolarHBondContact CZ-O 3.11Å; P63-K166 HydrophobicContact CB-CB 3.99Å; P63-K166 HydrophobicContact CB-CD 3.94Å; P63-K166 HydrophobicContact CG-CD 4.41Å; N65-K166 WeakPolarHBondContact OD1-CD 3.47Å; N65-K166 PolarHBondContact OD1-NZ 3.04Å; N65-K166 VanDerWaalsContact OD1-NZ 3.11Å; E66-K166 IonicContact OE1-NZ 2.75Å; E66-K166 PolarHBondContact OE1-NZ 2.89Å; R125-K166 VanDerWaalsContact CA-O 3.32Å; R125-K166 WeakPolarHBondContact CA-O 3.49Å; L126-K166 PolarHBondContact N-O 2.99Å; L126-K166 VanDerWaalsContact N-O 3.07Å; L126-K166 PolarHBondContact O-N 3.38Å; F131-K166 HydrophobicContact CB-CD 3.82Å; F131-K166 HydrophobicContact CD2-CD 3.86Å; F131-K166 HydrophobicContact CD2-CG 4.34Å; F131-K166 HydrophobicContact CG-CD 4.13Å; N132-K166 VanDerWaalsContact C-NZ 3.34Å; N132-K166 PolarHBondContact O-NZ 3.05Å; Y133-K166 HydrophobicContact CE1-CD 4.29Å; Y133-K166 HydrophobicContact CE1-CG 3.98Å; P164-K166 PolarHBondContact O-N 2.73Å
167L93.7Very high86.4Confident35 Ų3558.9 Ų58.918%0.18330%0.296CS..EExtended strand (participates in β ladder)trans-76.5136.8169.1-170.368.6000109.4F8 K64 Y100 V123 R125F8-L167 HydrophobicContact CE2-CD1 3.69Å; F8-L167 HydrophobicContact CZ-CD1 3.55Å; K64-L167 WeakPolarHBondContact CB-O 3.36Å; K64-L167 PolarHBondContact N-O 3.07Å; Y100-L167 HydrophobicContact CE2-CD2 3.96Å; Y100-L167 HydrophobicContact CE2-CG 4.1Å; V123-L167 HydrophobicContact CG1-CD1 3.38Å; V123-L167 HydrophobicContact CG1-CG 4.02Å; R125-L167 HydrophobicContact CG-CD1 3.85Å
168G94.7Very high87.1Confident0 Ų055.4 Ų55.40%028%0.281CS..EExtended strand (participates in β ladder)trans-170.1178.9176.600000112.8K62 V123 V124K62-G168 WeakPolarHBondContact O-CA 3.4Å; V123-G168 WeakPolarHBondContact CA-O 3.34Å; V124-G168 PolarHBondContact N-O 3.48Å; V124-G168 PolarHBondContact O-N 2.92Å
169S96.6Very high87.6Confident2 Ų254.4 Ų54.41%0.01428%0.278CS..EExtended strand (participates in β ladder)trans-87.5140.6171.453.90000109.5F61 K62 R122F61-S169 CarbonylContact C-O 3.5Å; F61-S169 WeakPolarHBondContact CA-O 3.26Å; F61-S169 VanDerWaalsContact CD2-O 3.29Å; F61-S169 WeakPolarHBondContact CD2-O 3.44Å; K62-S169 PolarHBondContact N-O 3.46Å; K62-S169 PolarHBondContact O-N 3.4Å; K62-S169 VanDerWaalsContact O-N 3.12Å; R122-S169 WeakPolarHBondContact O-CA 3.32Å
170F97.7Very high88.6Confident0 Ų046.3 Ų46.30%024%0.235CC..EExtended strand (participates in β ladder)trans-121.4117.5169.9-171.7-77.1000108.7F20 I24 V27 A50 V58 V60 F61 T121 R122 V124 L126F20-F170 AromaticContact CE2-CD1 3.98Å; F20-F170 HydrophobicContact CE2-CD1 3.98Å; F20-F170 HydrophobicContact CZ-CB 4.27Å; F20-F170 AromaticContact CZ-CD1 3.93Å; F20-F170 HydrophobicContact CZ-CD1 3.93Å; F20-F170 HydrophobicContact CZ-CG 4.46Å; I24-F170 HydrophobicContact CD1-CB 4.17Å; I24-F170 HydrophobicContact CD1-CD1 3.41Å; I24-F170 VanDerWaalsContact CD1-CD1 3.41Å; I24-F170 HydrophobicContact CD1-CD2 3.71Å; I24-F170 HydrophobicContact CD1-CE1 3.57Å; I24-F170 HydrophobicContact CD1-CE2 3.85Å; I24-F170 HydrophobicContact CD1-CG 3.49Å; I24-F170 VanDerWaalsContact CD1-CG 3.49Å; I24-F170 HydrophobicContact CD1-CZ 3.79Å; V27-F170 HydrophobicContact CG2-CE2 4.17Å; V27-F170 HydrophobicContact CG2-CZ 3.99Å; A50-F170 HydrophobicContact CB-CE2 3.62Å; A50-F170 HydrophobicContact CB-CZ 4.14Å; V58-F170 HydrophobicContact CB-CZ 4.44Å; V58-F170 HydrophobicContact CG1-CE1 4.38Å; V58-F170 HydrophobicContact CG1-CZ 4.06Å; V60-F170 WeakPolarHBondContact O-CA 3.15Å; F61-F170 HydrophobicContact CB-CD2 4.09Å; F61-F170 HydrophobicContact CD2-CB 4.37Å; F61-F170 HydrophobicContact CD2-CD2 4.35Å; T121-F170 VanDerWaalsContact CA-O 3.26Å; T121-F170 WeakPolarHBondContact CA-O 3.36Å; R122-F170 PolarHBondContact N-O 2.75Å; R122-F170 PolarHBondContact O-N 2.9Å; V124-F170 HydrophobicContact CB-CB 4.26Å; V124-F170 HydrophobicContact CG1-CB 3.66Å; V124-F170 HydrophobicContact CG1-CG 4.43Å; V124-F170 HydrophobicContact CG2-CB 3.53Å; V124-F170 HydrophobicContact CG2-CD2 4.28Å; V124-F170 HydrophobicContact CG2-CG 4.31Å; L126-F170 HydrophobicContact CD1-CD2 4.08Å; L126-F170 HydrophobicContact CD1-CE2 4.32Å
171Q97.9Very high89.2Confident17 Ų1743.4 Ų43.48%0.07923%0.228CC..EExtended strand (participates in β ladder)trans-108128178.8179.2166.291.100109.2G59 V60 P119 T121 F173G59-Q171 CarbonylContact C-O 3.54Å; G59-Q171 WeakPolarHBondContact CA-O 3.47Å; V60-Q171 PolarHBondContact N-O 2.82Å; V60-Q171 PolarHBondContact O-N 3.06Å; P119-Q171 HydrophobicContact CB-CG 3.78Å; P119-Q171 HydrophobicContact CG-CG 4.39Å; T121-Q171 HydrophobicContact CG2-CB 4.03Å; T121-Q171 WeakPolarHBondContact OG1-CB 3.46Å; T121-Q171 VanDerWaalsContact OG1-CG 3.31Å; T121-Q171 WeakPolarHBondContact OG1-CG 3.32Å; T121-Q171 PolarHBondContact OG1-NE2 3.44Å; Q171-F173 PolarHBondContact O-N 3.01Å
172V97Very high89.3Confident42 Ų4240.8 Ų40.826%0.25521%0.214SC..EExtended strand (participates in β ladder)trans-59.6136.5176.3175.10000110.3F20 P119 K120F20-V172 HydrophobicContact CD2-CG2 3.95Å; F20-V172 HydrophobicContact CE2-CG2 4.07Å; P119-V172 WeakPolarHBondContact CB-O 3.44Å; K120-V172 HydrophobicContact CB-CG2 4.1Å; K120-V172 PolarHBondContact O-N 2.81Å
173F94.8Very high88.8Confident83 Ų8339.8 Ų39.836%0.36420%0.202SC..  trans-74.2139.8179.4-176.1-101.1000110.9I57 V58 Q171I57-F173 HydrophobicContact CB-CD1 4.07Å; I57-F173 HydrophobicContact CB-CD2 4.47Å; I57-F173 HydrophobicContact CB-CE1 4.35Å; I57-F173 HydrophobicContact CB-CG 4.14Å; I57-F173 HydrophobicContact CD1-CE2 4.43Å; I57-F173 HydrophobicContact CD1-CZ 4.25Å; I57-F173 HydrophobicContact CG2-CB 3.83Å; I57-F173 HydrophobicContact CG2-CD1 3.99Å; I57-F173 HydrophobicContact CG2-CD2 3.6Å; I57-F173 HydrophobicContact CG2-CE1 4.46Å; I57-F173 HydrophobicContact CG2-CE2 4.11Å; I57-F173 HydrophobicContact CG2-CG 3.52Å; V58-F173 PolarHBondContact O-N 2.69Å; Q171-F173 PolarHBondContact O-N 3.01Å
174M92.1Very high88.2Confident48 Ų4840.9 Ų40.924%0.23621%0.207CC..  trans-10395.2-175.6-63.5-59.9-69.100111.1P119 G176 Y177 A265P119-M174 HydrophobicContact CB-CG 3.77Å; P119-M174 HydrophobicContact CB-SD 3.6Å; P119-M174 VanDerWaalsContact CB-SD 3.6Å; P119-M174 HydrophobicContact CG-CG 3.3Å; P119-M174 HydrophobicContact CG-SD 3.63Å; M174-G176 PolarHBondContact O-N 3.2Å; M174-Y177 HydrophobicContact CB-CD2 3.53Å; M174-Y177 HydrophobicContact CB-CE2 4.02Å; M174-Y177 HydrophobicContact CB-CG 3.83Å; M174-Y177 HydrophobicContact CE-CD2 4.22Å; M174-Y177 HydrophobicContact CE-CE1 4.32Å; M174-Y177 HydrophobicContact CE-CE2 3.48Å; M174-Y177 VanDerWaalsContact CE-CE2 3.48Å; M174-Y177 WeakPolarHBondContact CE-OH 3.21Å; M174-Y177 PolarHBondContact O-N 3.31Å; M174-A265 HydrophobicContact CE-CB 4.37Å; M174-A265 HydrophobicContact CG-CB 4.15Å
175E88.5Confident87.3Confident157 Ų15744.9 Ų44.973%0.73422%0.222SC*.THydrogen-bonded Turntrans-66.4132.7-176.9-165.6-17317300113.2Y177 K227E175-Y177 VanDerWaalsContact C-N 3.27Å; E175-Y177 PolarHBondContact O-N 3.27Å; E175-K227 PolarHBondContact O-NZ 3.23Å
176G87.1Confident86.2Confident41 Ų4141.8 Ų41.842%0.42321%0.211SC..THydrogen-bonded Turntrans77.97.9178.300000114.6M174M174-G176 PolarHBondContact O-N 3.2Å
177Y90.2Very high85Confident31 Ų3142.3 Ų42.312%0.12221%0.213CC..  trans-82.9154.6170.5-77.8-107.8000110.8M174 E175 L225 I226 K227 K263 A265M174-Y177 HydrophobicContact CB-CD2 3.53Å; M174-Y177 HydrophobicContact CB-CE2 4.02Å; M174-Y177 HydrophobicContact CB-CG 3.83Å; M174-Y177 HydrophobicContact CE-CD2 4.22Å; M174-Y177 HydrophobicContact CE-CE1 4.32Å; M174-Y177 HydrophobicContact CE-CE2 3.48Å; M174-Y177 VanDerWaalsContact CE-CE2 3.48Å; M174-Y177 WeakPolarHBondContact CE-OH 3.21Å; M174-Y177 PolarHBondContact O-N 3.31Å; E175-Y177 VanDerWaalsContact C-N 3.27Å; E175-Y177 PolarHBondContact O-N 3.27Å; Y177-L225 HydrophobicContact CD1-CB 3.83Å; Y177-L225 HydrophobicContact CG-CB 4.27Å; Y177-I226 WeakPolarHBondContact CA-O 3.47Å; Y177-K227 HydrophobicContact CD1-CB 3.74Å; Y177-K227 HydrophobicContact CD2-CB 3.71Å; Y177-K227 HydrophobicContact CD2-CD 3.72Å; Y177-K227 HydrophobicContact CD2-CG 4.3Å; Y177-K227 HydrophobicContact CE1-CB 3.69Å; Y177-K227 HydrophobicContact CE2-CB 3.65Å; Y177-K227 HydrophobicContact CE2-CD 3.45Å; Y177-K227 VanDerWaalsContact CE2-CD 3.45Å; Y177-K227 HydrophobicContact CE2-CG 4.21Å; Y177-K227 HydrophobicContact CG-CB 3.76Å; Y177-K263 HydrophobicContact CE1-CB 4.29Å; Y177-K263 WeakPolarHBondContact OH-CB 3.22Å; Y177-A265 HydrophobicContact CD1-CB 3.73Å; Y177-A265 HydrophobicContact CE1-CB 3.56Å
178R85.5Confident83.6Confident119 Ų11942.9 Ų42.945%0.44923%0.228SC..EExtended strand (participates in β ladder)trans-134.3163.1177-63.9-65.2-177.2-89.51.8110.1L182 L225 I226R178-L182 HydrophobicContact CB-CD2 3.65Å; R178-L182 HydrophobicContact CG-CD2 3.97Å; R178-L225 CarbonylContact O-C 3.55Å; R178-L225 WeakPolarHBondContact O-CA 3.44Å; R178-L225 WeakPolarHBondContact O-CB 3.23Å; R178-I226 PolarHBondContact N-O 2.74Å; R178-I226 PolarHBondContact O-N 3.44Å
179N84.5Confident81.9Confident29 Ų2951 Ų5116%0.15527%0.271CS..EExtended strand (participates in β ladder)trans-54.6141.8177.7-172.5-33.6000112.1T181 L182 H221 N222N179-T181 VanDerWaalsContact CG-OG1 3.24Å; N179-T181 PolarHBondContact O-N 3.04Å; N179-T181 WeakPolarHBondContact OD1-CG2 3.46Å; N179-T181 PolarHBondContact OD1-N 2.91Å; N179-T181 PolarHBondContact OD1-OG1 3.29Å; N179-T181 VanDerWaalsContact OD1-OG1 3.11Å; N179-L182 WeakPolarHBondContact O-CB 3.42Å; N179-L182 PolarHBondContact O-N 3.09Å; N179-L182 VanDerWaalsContact O-N 3.07Å; N179-H221 PolarHBondContact OD1-O 3.37Å; N179-N222 WeakPolarHBondContact ND2-CA 3.5Å; N179-N222 PolarHBondContact ND2-OD1 2.88Å; N179-N222 WeakPolarHBondContact OD1-CA 3.44Å; N179-N222 PolarHBondContact OD1-OD1 2.97Å
180G79.4Confident80.3Confident0 Ų060 Ų600%031%0.305CS..THydrogen-bonded Turntrans-61.7-23.5178.300000114.7L182 W183 W224G180-L182 PolarHBondContact O-N 2.93Å; G180-W183 PolarHBondContact O-N 2.71Å; G180-W224 WeakPolarHBondContact CA-O 3.47Å; G180-W224 PolarHBondContact N-O 3.38Å
181T79.6Confident78.8Confident38 Ų3866.3 Ų66.323%0.23334%0.338CS..Hα-helixtrans-53.6-34.7170.154.70000111.9N179 W183 L184 E185 H221 N222N179-T181 VanDerWaalsContact CG-OG1 3.24Å; N179-T181 PolarHBondContact O-N 3.04Å; N179-T181 WeakPolarHBondContact OD1-CG2 3.46Å; N179-T181 PolarHBondContact OD1-N 2.91Å; N179-T181 PolarHBondContact OD1-OG1 3.29Å; N179-T181 VanDerWaalsContact OD1-OG1 3.11Å; T181-W183 VanDerWaalsContact C-N 3.26Å; T181-W183 PolarHBondContact O-N 2.67Å; T181-L184 WeakPolarHBondContact O-CA 3.17Å; T181-L184 VanDerWaalsContact O-CB 3.32Å; T181-L184 WeakPolarHBondContact O-CB 3.35Å; T181-L184 PolarHBondContact O-N 3.26Å; T181-E185 PolarHBondContact O-N 3.48Å; T181-H221 HydrophobicContact CG2-CB 3.7Å; T181-N222 VanDerWaalsContact CG2-OD1 3.28Å; T181-N222 WeakPolarHBondContact CG2-OD1 3.15Å
182L73.5Confident77.7Confident13 Ų1365.8 Ų65.87%0.06834%0.336CS..Hα-helixtrans-55.7-41.3-179.5178.953.9000113.3R178 N179 G180 L184 E185 C186 I231 I253R178-L182 HydrophobicContact CB-CD2 3.65Å; R178-L182 HydrophobicContact CG-CD2 3.97Å; N179-L182 WeakPolarHBondContact O-CB 3.42Å; N179-L182 PolarHBondContact O-N 3.09Å; N179-L182 VanDerWaalsContact O-N 3.07Å; G180-L182 PolarHBondContact O-N 2.93Å; L182-L184 VanDerWaalsContact C-N 3.32Å; L182-E185 PolarHBondContact O-N 2.78Å; L182-C186 WeakPolarHBondContact O-CB 3.14Å; L182-C186 PolarHBondContact O-N 2.88Å; L182-C186 PolarHBondContact O-SG 3.35Å; L182-I231 HydrophobicContact CD2-CD1 4.11Å; L182-I253 HydrophobicContact CD1-CB 3.68Å; L182-I253 HydrophobicContact CD1-CD1 3.09Å; L182-I253 HydrophobicContact CD1-CG1 3.89Å; L182-I253 HydrophobicContact CD1-CG2 3.71Å; L182-I253 HydrophobicContact CD2-CD1 4.02Å; L182-I253 HydrophobicContact CD2-CG2 4.36Å; L182-I253 HydrophobicContact CG-CD1 4.16Å; L182-I253 HydrophobicContact CG-CG2 4.39Å
183W72.2Confident76.9Confident8 Ų866.1 Ų66.13%0.0334%0.339CS..Hα-helixtrans-70.2-34.7179.6179.6-80.5000112.1G180 T181 E185 C186 F187 A192 L196 F200 I226 C228 V262 F293G180-W183 PolarHBondContact O-N 2.71Å; T181-W183 VanDerWaalsContact C-N 3.26Å; T181-W183 PolarHBondContact O-N 2.67Å; W183-E185 VanDerWaalsContact C-N 3.28Å; W183-E185 PolarHBondContact O-N 2.91Å; W183-C186 PolarHBondContact O-N 3.48Å; W183-F187 AromaticContact CD1-CD2 3.97Å; W183-F187 AromaticContact CD2-CD2 3.42Å; W183-F187 HydrophobicContact CD2-CD2 3.42Å; W183-F187 VanDerWaalsContact CD2-CD2 3.42Å; W183-F187 AromaticContact CD2-CE2 3.5Å; W183-F187 HydrophobicContact CD2-CE2 3.5Å; W183-F187 VanDerWaalsContact CD2-CE2 3.5Å; W183-F187 AromaticContact CE2-CD2 3.33Å; W183-F187 AromaticContact CE2-CE2 3.53Å; W183-F187 AromaticContact CE3-CD2 3.84Å; W183-F187 HydrophobicContact CE3-CD2 3.84Å; W183-F187 AromaticContact CE3-CE2 3.39Å; W183-F187 HydrophobicContact CE3-CE2 3.39Å; W183-F187 HydrophobicContact CE3-CZ 4.48Å; W183-F187 AromaticContact CG-CD2 3.81Å; W183-F187 HydrophobicContact CG-CD2 3.81Å; W183-F187 HydrophobicContact CG-CE2 4.3Å; W183-F187 HydrophobicContact CH2-CD2 4.05Å; W183-F187 AromaticContact CH2-CE2 3.36Å; W183-F187 HydrophobicContact CH2-CE2 3.36Å; W183-F187 AromaticContact CH2-CZ 3.81Å; W183-F187 HydrophobicContact CH2-CZ 3.81Å; W183-F187 AromaticContact CZ2-CD2 3.67Å; W183-F187 HydrophobicContact CZ2-CD2 3.67Å; W183-F187 AromaticContact CZ2-CE2 3.47Å; W183-F187 HydrophobicContact CZ2-CE2 3.47Å; W183-F187 VanDerWaalsContact CZ2-CE2 3.47Å; W183-F187 HydrophobicContact CZ2-CG 4.43Å; W183-F187 HydrophobicContact CZ2-CZ 4.08Å; W183-F187 HydrophobicContact CZ3-CD2 4.14Å; W183-F187 AromaticContact CZ3-CE2 3.32Å; W183-F187 HydrophobicContact CZ3-CE2 3.32Å; W183-F187 HydrophobicContact CZ3-CZ 4.03Å; W183-F187 AromaticContact NE1-CD2 3.71Å; W183-F187 WeakPolarHBondContact O-CB 3Å; W183-F187 WeakPolarHBondContact O-CD2 3.09Å; W183-F187 PolarHBondContact O-N 3.07Å; W183-A192 HydrophobicContact CZ2-CB 4.49Å; W183-L196 HydrophobicContact CH2-CD2 3.98Å; W183-L196 HydrophobicContact CH2-CG 4.02Å; W183-L196 HydrophobicContact CZ3-CD2 4.35Å; W183-F200 AromaticContact CD1-CE1 3.98Å; W183-F200 AromaticContact CD1-CE2 3.72Å; W183-F200 AromaticContact CD1-CZ 3.54Å; W183-F200 AromaticContact CD2-CD2 3.62Å; W183-F200 HydrophobicContact CD2-CD2 3.62Å; W183-F200 AromaticContact CD2-CE2 3.57Å; W183-F200 HydrophobicContact CD2-CE2 3.57Å; W183-F200 HydrophobicContact CD2-CG 4.26Å; W183-F200 HydrophobicContact CD2-CZ 4.19Å; W183-F200 AromaticContact CE2-CD1 3.88Å; W183-F200 AromaticContact CE2-CD2 3.34Å; W183-F200 AromaticContact CE2-CE2 3.58Å; W183-F200 AromaticContact CE2-CG 3.5Å; W183-F200 VanDerWaalsContact CE2-CG 3.5Å; W183-F200 AromaticContact CE2-CZ 3.96Å; W183-F200 AromaticContact CE3-CD2 3.96Å; W183-F200 HydrophobicContact CE3-CD2 3.96Å; W183-F200 HydrophobicContact CE3-CE2 4.17Å; W183-F200 HydrophobicContact CG-CD2 4.26Å; W183-F200 AromaticContact CG-CE2 3.72Å; W183-F200 HydrophobicContact CG-CE2 3.72Å; W183-F200 AromaticContact CG-CZ 3.99Å; W183-F200 HydrophobicContact CG-CZ 3.99Å; W183-F200 HydrophobicContact CH2-CB 3.81Å; W183-F200 AromaticContact CH2-CD2 3.86Å; W183-F200 HydrophobicContact CH2-CD2 3.86Å; W183-F200 AromaticContact CH2-CG 3.98Å; W183-F200 HydrophobicContact CH2-CG 3.98Å; W183-F200 HydrophobicContact CZ2-CB 3.47Å; W183-F200 VanDerWaalsContact CZ2-CB 3.47Å; W183-F200 AromaticContact CZ2-CD1 3.99Å; W183-F200 HydrophobicContact CZ2-CD1 3.99Å; W183-F200 AromaticContact CZ2-CD2 3.49Å; W183-F200 HydrophobicContact CZ2-CD2 3.49Å; W183-F200 VanDerWaalsContact CZ2-CD2 3.49Å; W183-F200 HydrophobicContact CZ2-CE2 4.22Å; W183-F200 AromaticContact CZ2-CG 3.35Å; W183-F200 HydrophobicContact CZ2-CG 3.35Å; W183-F200 HydrophobicContact CZ3-CD2 4.08Å; W183-F200 AromaticContact NE1-CD1 3.66Å; W183-F200 AromaticContact NE1-CD2 3.76Å; W183-F200 AromaticContact NE1-CE1 3.53Å; W183-F200 AromaticContact NE1-CE2 3.62Å; W183-F200 AromaticContact NE1-CG 3.77Å; W183-F200 AromaticContact NE1-CZ 3.49Å; W183-I226 HydrophobicContact CB-CD1 3.05Å; W183-I226 HydrophobicContact CD2-CD1 4.29Å; W183-I226 HydrophobicContact CE3-CD1 4.41Å; W183-I226 HydrophobicContact CE3-CG2 4.03Å; W183-I226 HydrophobicContact CG-CD1 3.77Å; W183-C228 HydrophobicContact CZ3-CB 4.35Å; W183-V262 HydrophobicContact CE3-CG2 4.1Å; W183-V262 HydrophobicContact CH2-CB 4.4Å; W183-V262 HydrophobicContact CH2-CG1 4.47Å; W183-V262 HydrophobicContact CH2-CG2 4.1Å; W183-V262 HydrophobicContact CZ3-CB 4.11Å; W183-V262 HydrophobicContact CZ3-CG2 3.55Å; W183-F293 AromaticContact NE1-CE2 3.87Å; W183-F293 AromaticContact NE1-CZ 3.75Å
184L73.3Confident76.3Confident48 Ų4867.6 Ų67.625%0.25136%0.357SS..Hα-helixtrans-63.1-39.9174-55.5179.5000110.3T181 L182 G188 H221 L291T181-L184 WeakPolarHBondContact O-CA 3.17Å; T181-L184 VanDerWaalsContact O-CB 3.32Å; T181-L184 WeakPolarHBondContact O-CB 3.35Å; T181-L184 PolarHBondContact O-N 3.26Å; L182-L184 VanDerWaalsContact C-N 3.32Å; L184-G188 VanDerWaalsContact O-CA 3.24Å; L184-G188 WeakPolarHBondContact O-CA 3.05Å; L184-G188 PolarHBondContact O-N 3.1Å; L184-H221 HydrophobicContact CD1-CB 4.33Å; L184-L291 HydrophobicContact CD1-CD2 4.02Å; L184-L291 HydrophobicContact CD2-CD1 4.13Å; L184-L291 HydrophobicContact CD2-CD2 3.49Å; L184-L291 VanDerWaalsContact CD2-CD2 3.49Å; L184-L291 HydrophobicContact CD2-CG 4.44Å; L184-L291 HydrophobicContact CG-CD2 4.42Å
185E70.2Confident76.1Confident137 Ų13767.7 Ų67.764%0.6437%0.37SS*.Hα-helixtrans-67.6-40.7175.4-68163.9-168.200112.3T181 L182 W183T181-E185 PolarHBondContact O-N 3.48Å; L182-E185 PolarHBondContact O-N 2.78Å; W183-E185 VanDerWaalsContact C-N 3.28Å; W183-E185 PolarHBondContact O-N 2.91Å
186C68.1Low76Confident26 Ų2660.4 Ų60.418%0.17634%0.336CS..Hα-helixtrans-70.5-34.2-179.4-68.80000113.7L182 W183L182-C186 WeakPolarHBondContact O-CB 3.14Å; L182-C186 PolarHBondContact O-N 2.88Å; L182-C186 PolarHBondContact O-SG 3.35Å; W183-C186 PolarHBondContact O-N 3.48Å
187F68.8Low76.1Confident15 Ų1560.6 Ų60.67%0.06633%0.326CS..Hα-helixtrans-126.34.2-167.6-63.3-69.2000115.5W183 D189 R190 A192 L196 L255 R292W183-F187 AromaticContact CD1-CD2 3.97Å; W183-F187 AromaticContact CD2-CD2 3.42Å; W183-F187 HydrophobicContact CD2-CD2 3.42Å; W183-F187 VanDerWaalsContact CD2-CD2 3.42Å; W183-F187 AromaticContact CD2-CE2 3.5Å; W183-F187 HydrophobicContact CD2-CE2 3.5Å; W183-F187 VanDerWaalsContact CD2-CE2 3.5Å; W183-F187 AromaticContact CE2-CD2 3.33Å; W183-F187 AromaticContact CE2-CE2 3.53Å; W183-F187 AromaticContact CE3-CD2 3.84Å; W183-F187 HydrophobicContact CE3-CD2 3.84Å; W183-F187 AromaticContact CE3-CE2 3.39Å; W183-F187 HydrophobicContact CE3-CE2 3.39Å; W183-F187 HydrophobicContact CE3-CZ 4.48Å; W183-F187 AromaticContact CG-CD2 3.81Å; W183-F187 HydrophobicContact CG-CD2 3.81Å; W183-F187 HydrophobicContact CG-CE2 4.3Å; W183-F187 HydrophobicContact CH2-CD2 4.05Å; W183-F187 AromaticContact CH2-CE2 3.36Å; W183-F187 HydrophobicContact CH2-CE2 3.36Å; W183-F187 AromaticContact CH2-CZ 3.81Å; W183-F187 HydrophobicContact CH2-CZ 3.81Å; W183-F187 AromaticContact CZ2-CD2 3.67Å; W183-F187 HydrophobicContact CZ2-CD2 3.67Å; W183-F187 AromaticContact CZ2-CE2 3.47Å; W183-F187 HydrophobicContact CZ2-CE2 3.47Å; W183-F187 VanDerWaalsContact CZ2-CE2 3.47Å; W183-F187 HydrophobicContact CZ2-CG 4.43Å; W183-F187 HydrophobicContact CZ2-CZ 4.08Å; W183-F187 HydrophobicContact CZ3-CD2 4.14Å; W183-F187 AromaticContact CZ3-CE2 3.32Å; W183-F187 HydrophobicContact CZ3-CE2 3.32Å; W183-F187 HydrophobicContact CZ3-CZ 4.03Å; W183-F187 AromaticContact NE1-CD2 3.71Å; W183-F187 WeakPolarHBondContact O-CB 3Å; W183-F187 WeakPolarHBondContact O-CD2 3.09Å; W183-F187 PolarHBondContact O-N 3.07Å; F187-D189 PolarHBondContact O-N 3.49Å; F187-R190 CarbonylContact C-O 3.51Å; F187-R190 WeakPolarHBondContact CA-O 3.46Å; F187-R190 WeakPolarHBondContact CB-O 3.49Å; F187-R190 WeakPolarHBondContact CD1-O 3.32Å; F187-R190 PolarHBondContact O-N 3.39Å; F187-A192 HydrophobicContact CD1-CB 3.67Å; F187-A192 HydrophobicContact CE1-CB 3.18Å; F187-A192 HydrophobicContact CE2-CB 4.41Å; F187-A192 HydrophobicContact CG-CB 4.4Å; F187-A192 HydrophobicContact CZ-CB 3.52Å; F187-L196 HydrophobicContact CZ-CD2 4.11Å; F187-L255 HydrophobicContact CE1-CD2 3.83Å; F187-L255 HydrophobicContact CE2-CD2 4.2Å; F187-L255 HydrophobicContact CZ-CB 4.36Å; F187-L255 HydrophobicContact CZ-CD2 3.24Å; F187-L255 HydrophobicContact CZ-CG 4.3Å; F187-R292 PolarHBondContact O-NH1 3.04Å; F187-R292 VanDerWaalsContact O-NH1 3.09Å
188G64Low76.2Confident47 Ų4764.7 Ų64.749%0.48535%0.345SS..SBendtrans-44.3-54.8179.900000111.3L184L184-G188 VanDerWaalsContact O-CA 3.24Å; L184-G188 WeakPolarHBondContact O-CA 3.05Å; L184-G188 PolarHBondContact O-N 3.1Å
189D58.2Low76.5Confident171 Ų17163.2 Ų63.291%0.91434%0.344SS*.SBendtrans-102.7-10.2-178.6-60.1-28.9000114.5F187F187-D189 PolarHBondContact O-N 3.49Å
190R63.9Low76.9Confident191 Ų19161.8 Ų61.872%0.72134%0.336SS*.SBendtrans-115.8132-175.8-65.7-176.3-178.3-177.92.3111.1F187F187-R190 CarbonylContact C-O 3.51Å; F187-R190 WeakPolarHBondContact CA-O 3.46Å; F187-R190 WeakPolarHBondContact CB-O 3.49Å; F187-R190 WeakPolarHBondContact CD1-O 3.32Å; F187-R190 PolarHBondContact O-N 3.39Å
191L66.6Low77.6Confident132 Ų13262.8 Ų62.869%0.69134%0.341SS*.PPolyproline II helixtrans-70.7133.1170.6-66.3171.3000109.3
192A74.8Confident78.4Confident5 Ų562.8 Ų62.84%0.04134%0.339CS..PPolyproline II helixtrans-66162.9170.600000109.9W183 F187 L196 E197W183-A192 HydrophobicContact CZ2-CB 4.49Å; F187-A192 HydrophobicContact CD1-CB 3.67Å; F187-A192 HydrophobicContact CE1-CB 3.18Å; F187-A192 HydrophobicContact CE2-CB 4.41Å; F187-A192 HydrophobicContact CG-CB 4.4Å; F187-A192 HydrophobicContact CZ-CB 3.52Å; A192-L196 HydrophobicContact CB-CB 4.45Å; A192-L196 HydrophobicContact CB-CD2 4.34Å; A192-E197 HydrophobicContact CB-CB 4.15Å
193P80.4Confident79.5Confident49 Ų4963.4 Ų63.432%0.31834%0.342SS..PPolyproline II helixtrans-48.4132.8166.2-26.735.1000109.7G195 L196 E197P193-G195 PolarHBondContact O-N 2.91Å; P193-L196 HydrophobicContact CB-CB 4.33Å; P193-L196 WeakPolarHBondContact O-CA 3.42Å; P193-L196 WeakPolarHBondContact O-CB 3.41Å; P193-L196 PolarHBondContact O-N 2.59Å; P193-E197 PolarHBondContact O-N 2.99Å
194P82Confident80.6Confident114 Ų11463 Ų6374%0.7434%0.34SS*.Hα-helixtrans-54.4-35.3-168.1-30.334.6000114.7K198P194-K198 PolarHBondContact O-N 2.98Å
195G86.8Confident81.8Confident50 Ų5060.8 Ų60.852%0.51533%0.329SS..Hα-helixtrans-65.2-39.8175.100000113.2P193 M199P193-G195 PolarHBondContact O-N 2.91Å; G195-M199 WeakPolarHBondContact O-CG 3.21Å; G195-M199 PolarHBondContact O-N 2.92Å; G195-M199 VanDerWaalsContact O-N 3.08Å
196L87.9Confident83.1Confident5 Ų557.3 Ų57.33%0.02631%0.31CS..Hα-helixtrans-71.2-39.7178-167.473.1000111.3W183 F187 A192 P193 M199 F200 L255 A259 V262W183-L196 HydrophobicContact CH2-CD2 3.98Å; W183-L196 HydrophobicContact CH2-CG 4.02Å; W183-L196 HydrophobicContact CZ3-CD2 4.35Å; F187-L196 HydrophobicContact CZ-CD2 4.11Å; A192-L196 HydrophobicContact CB-CB 4.45Å; A192-L196 HydrophobicContact CB-CD2 4.34Å; P193-L196 HydrophobicContact CB-CB 4.33Å; P193-L196 WeakPolarHBondContact O-CA 3.42Å; P193-L196 WeakPolarHBondContact O-CB 3.41Å; P193-L196 PolarHBondContact O-N 2.59Å; L196-M199 PolarHBondContact O-N 3.04Å; L196-F200 PolarHBondContact O-N 2.65Å; L196-L255 HydrophobicContact CD2-CD2 3.39Å; L196-A259 HydrophobicContact CD2-CB 3.88Å; L196-V262 HydrophobicContact CD1-CB 3.95Å; L196-V262 HydrophobicContact CD1-CG1 3.93Å; L196-V262 HydrophobicContact CG-CG1 4.36Å
197E88Confident84.5Confident44 Ų4456.1 Ų56.121%0.20630%0.301CS..Hα-helixtrans-61.6-44.4175.1-171.5157.3-155.700111.5A192 P193 M199 F200 Q201 R292 F293A192-E197 HydrophobicContact CB-CB 4.15Å; P193-E197 PolarHBondContact O-N 2.99Å; E197-M199 VanDerWaalsContact C-N 3.34Å; E197-M199 PolarHBondContact O-N 2.93Å; E197-F200 PolarHBondContact O-N 3.28Å; E197-Q201 WeakPolarHBondContact O-CB 3.39Å; E197-Q201 PolarHBondContact O-N 2.97Å; E197-R292 IonicContact OE1-CZ 2.72Å; E197-R292 IonicContact OE1-NE 2.89Å; E197-R292 IonicContact OE1-NH2 2.77Å; E197-R292 PolarHBondContact OE1-NH2 2.87Å; E197-F293 HydrophobicContact CG-CE1 4.25Å
198K91.5Very high85.9Confident118 Ų11855.4 Ų55.451%0.51330%0.298SS..Hα-helixtrans-59.1-45.3174-174178.3179.1-175.90111.5P194 F200 Q201 L202 E301P194-K198 PolarHBondContact O-N 2.98Å; K198-F200 VanDerWaalsContact C-N 3.35Å; K198-F200 PolarHBondContact O-N 2.89Å; K198-Q201 PolarHBondContact O-N 3.26Å; K198-L202 WeakPolarHBondContact O-CG 3.49Å; K198-L202 PolarHBondContact O-N 2.68Å; K198-L202 VanDerWaalsContact O-N 3.11Å; K198-E301 WeakPolarHBondContact CE-OE1 3.41Å; K198-E301 IonicContact NZ-OE1 3.57Å; K198-E301 PolarHBondContact NZ-OE1 2.7Å
199M92.8Very high87.6Confident87 Ų8753.1 Ų53.143%0.42928%0.275SS..Hα-helixtrans-62.1-41.8176.9-73.9-177.3176.700112.2G195 L196 E197 L202 Q203 Q260 V262G195-M199 WeakPolarHBondContact O-CG 3.21Å; G195-M199 PolarHBondContact O-N 2.92Å; G195-M199 VanDerWaalsContact O-N 3.08Å; L196-M199 PolarHBondContact O-N 3.04Å; E197-M199 VanDerWaalsContact C-N 3.34Å; E197-M199 PolarHBondContact O-N 2.93Å; M199-L202 PolarHBondContact O-N 2.83Å; M199-Q203 WeakPolarHBondContact O-CG 3.12Å; M199-Q203 PolarHBondContact O-N 3.45Å; M199-Q203 VanDerWaalsContact O-N 3.12Å; M199-Q260 VanDerWaalsContact SD-O 3.37Å; M199-V262 HydrophobicContact CB-CG1 3.66Å
200F92.3Very high89.5Confident0 Ų045 Ų450%023%0.232CC..Hα-helixtrans-62.1-47.3176.4-178-95.4000111.3W183 L196 E197 K198 L202 Q203 F204 W224 I226 V262 I264 F293W183-F200 AromaticContact CD1-CE1 3.98Å; W183-F200 AromaticContact CD1-CE2 3.72Å; W183-F200 AromaticContact CD1-CZ 3.54Å; W183-F200 AromaticContact CD2-CD2 3.62Å; W183-F200 HydrophobicContact CD2-CD2 3.62Å; W183-F200 AromaticContact CD2-CE2 3.57Å; W183-F200 HydrophobicContact CD2-CE2 3.57Å; W183-F200 HydrophobicContact CD2-CG 4.26Å; W183-F200 HydrophobicContact CD2-CZ 4.19Å; W183-F200 AromaticContact CE2-CD1 3.88Å; W183-F200 AromaticContact CE2-CD2 3.34Å; W183-F200 AromaticContact CE2-CE2 3.58Å; W183-F200 AromaticContact CE2-CG 3.5Å; W183-F200 VanDerWaalsContact CE2-CG 3.5Å; W183-F200 AromaticContact CE2-CZ 3.96Å; W183-F200 AromaticContact CE3-CD2 3.96Å; W183-F200 HydrophobicContact CE3-CD2 3.96Å; W183-F200 HydrophobicContact CE3-CE2 4.17Å; W183-F200 HydrophobicContact CG-CD2 4.26Å; W183-F200 AromaticContact CG-CE2 3.72Å; W183-F200 HydrophobicContact CG-CE2 3.72Å; W183-F200 AromaticContact CG-CZ 3.99Å; W183-F200 HydrophobicContact CG-CZ 3.99Å; W183-F200 HydrophobicContact CH2-CB 3.81Å; W183-F200 AromaticContact CH2-CD2 3.86Å; W183-F200 HydrophobicContact CH2-CD2 3.86Å; W183-F200 AromaticContact CH2-CG 3.98Å; W183-F200 HydrophobicContact CH2-CG 3.98Å; W183-F200 HydrophobicContact CZ2-CB 3.47Å; W183-F200 VanDerWaalsContact CZ2-CB 3.47Å; W183-F200 AromaticContact CZ2-CD1 3.99Å; W183-F200 HydrophobicContact CZ2-CD1 3.99Å; W183-F200 AromaticContact CZ2-CD2 3.49Å; W183-F200 HydrophobicContact CZ2-CD2 3.49Å; W183-F200 VanDerWaalsContact CZ2-CD2 3.49Å; W183-F200 HydrophobicContact CZ2-CE2 4.22Å; W183-F200 AromaticContact CZ2-CG 3.35Å; W183-F200 HydrophobicContact CZ2-CG 3.35Å; W183-F200 HydrophobicContact CZ3-CD2 4.08Å; W183-F200 AromaticContact NE1-CD1 3.66Å; W183-F200 AromaticContact NE1-CD2 3.76Å; W183-F200 AromaticContact NE1-CE1 3.53Å; W183-F200 AromaticContact NE1-CE2 3.62Å; W183-F200 AromaticContact NE1-CG 3.77Å; W183-F200 AromaticContact NE1-CZ 3.49Å; L196-F200 PolarHBondContact O-N 2.65Å; E197-F200 PolarHBondContact O-N 3.28Å; K198-F200 VanDerWaalsContact C-N 3.35Å; K198-F200 PolarHBondContact O-N 2.89Å; F200-L202 VanDerWaalsContact C-N 3.27Å; F200-L202 PolarHBondContact O-N 3.06Å; F200-Q203 PolarHBondContact O-N 3.44Å; F200-F204 HydrophobicContact CE1-CB 4.24Å; F200-F204 WeakPolarHBondContact O-CB 3.46Å; F200-F204 PolarHBondContact O-N 3.02Å; F200-W224 HydrophobicContact CE2-CZ3 4.18Å; F200-W224 HydrophobicContact CZ-CH2 4.19Å; F200-W224 HydrophobicContact CZ-CZ3 4.04Å; F200-I226 HydrophobicContact CE2-CD1 4Å; F200-V262 HydrophobicContact CB-CG1 3.95Å; F200-V262 HydrophobicContact CD2-CG2 3.93Å; F200-I264 HydrophobicContact CD2-CD1 4.42Å; F200-I264 HydrophobicContact CE2-CD1 3.89Å; F200-I264 HydrophobicContact CE2-CG1 4.33Å; F200-I264 HydrophobicContact CZ-CD1 4.23Å; F200-F293 HydrophobicContact CD1-CD1 4.01Å; F200-F293 HydrophobicContact CD1-CD2 4.2Å; F200-F293 AromaticContact CD1-CE1 3.76Å; F200-F293 HydrophobicContact CD1-CE1 3.76Å; F200-F293 AromaticContact CD1-CE2 3.96Å; F200-F293 HydrophobicContact CD1-CE2 3.96Å; F200-F293 HydrophobicContact CD1-CG 4.22Å; F200-F293 AromaticContact CD1-CZ 3.72Å; F200-F293 HydrophobicContact CD1-CZ 3.72Å; F200-F293 HydrophobicContact CE1-CD1 4.17Å; F200-F293 AromaticContact CE1-CD2 3.55Å; F200-F293 HydrophobicContact CE1-CD2 3.55Å; F200-F293 HydrophobicContact CE1-CE1 4.1Å; F200-F293 AromaticContact CE1-CE2 3.47Å; F200-F293 HydrophobicContact CE1-CE2 3.47Å; F200-F293 VanDerWaalsContact CE1-CE2 3.47Å; F200-F293 AromaticContact CE1-CG 3.9Å; F200-F293 HydrophobicContact CE1-CG 3.9Å; F200-F293 AromaticContact CE1-CZ 3.75Å; F200-F293 HydrophobicContact CE1-CZ 3.75Å; F200-F293 HydrophobicContact CZ-CE2 4.38Å
201Q94.3Very high91.2Very high20 Ų2035.9 Ų35.99%0.09320%0.197CC..Hα-helixtrans-55-43.4177-177.664.53200111.4E197 K198 Q203 F204 E205 F293E197-Q201 WeakPolarHBondContact O-CB 3.39Å; E197-Q201 PolarHBondContact O-N 2.97Å; K198-Q201 PolarHBondContact O-N 3.26Å; Q201-Q203 PolarHBondContact O-N 2.93Å; Q201-F204 WeakPolarHBondContact O-CB 3.17Å; Q201-F204 PolarHBondContact O-N 3.26Å; Q201-E205 PolarHBondContact NE2-OE1 3.46Å; Q201-E205 WeakPolarHBondContact O-CB 3.46Å; Q201-E205 VanDerWaalsContact O-CG 3.28Å; Q201-E205 WeakPolarHBondContact O-CG 3.4Å; Q201-E205 PolarHBondContact O-N 3.43Å; Q201-F293 PolarHBondContact NE2-O 3.46Å; Q201-F293 VanDerWaalsContact OE1-CD1 3.24Å
202L96.7Very high92.7Very high39 Ų3930 Ų3020%0.20417%0.166CC..Hα-helixtrans-64.4-38176.9-68.4173.9000113K198 M199 F200 R206 S299 E301K198-L202 WeakPolarHBondContact O-CG 3.49Å; K198-L202 PolarHBondContact O-N 2.68Å; K198-L202 VanDerWaalsContact O-N 3.11Å; M199-L202 PolarHBondContact O-N 2.83Å; F200-L202 VanDerWaalsContact C-N 3.27Å; F200-L202 PolarHBondContact O-N 3.06Å; L202-R206 WeakPolarHBondContact O-CG 3.26Å; L202-R206 PolarHBondContact O-N 2.86Å; L202-S299 VanDerWaalsContact CD2-OG 3.24Å; L202-S299 WeakPolarHBondContact CD2-OG 3.46Å; L202-E301 HydrophobicContact CD2-CB 3.77Å; L202-E301 HydrophobicContact CD2-CG 4.32Å
203Q96.2Very high93.8Very high25 Ų2529.7 Ų29.712%0.11716%0.164CC..Hα-helixtrans-69.6-40.6174.9-66.8-67.9-66.500111.5M199 F200 Q201 R206 M207 I264M199-Q203 WeakPolarHBondContact O-CG 3.12Å; M199-Q203 PolarHBondContact O-N 3.45Å; M199-Q203 VanDerWaalsContact O-N 3.12Å; F200-Q203 PolarHBondContact O-N 3.44Å; Q201-Q203 PolarHBondContact O-N 2.93Å; Q203-R206 WeakPolarHBondContact O-CB 3.37Å; Q203-R206 PolarHBondContact O-N 3.05Å; Q203-M207 PolarHBondContact O-N 3.17Å; Q203-I264 HydrophobicContact CB-CB 4.07Å; Q203-I264 HydrophobicContact CB-CD1 3.81Å; Q203-I264 HydrophobicContact CB-CG1 3.79Å
204F95.7Very high94.7Very high0 Ų027.5 Ų27.50%015%0.149CC..Hα-helixtrans-61-47.2177.2175.9-97.5000111.5F200 Q201 R206 M207 V208 I264 W288 L291 F293 A294 P362F200-F204 HydrophobicContact CE1-CB 4.24Å; F200-F204 WeakPolarHBondContact O-CB 3.46Å; F200-F204 PolarHBondContact O-N 3.02Å; Q201-F204 WeakPolarHBondContact O-CB 3.17Å; Q201-F204 PolarHBondContact O-N 3.26Å; F204-R206 VanDerWaalsContact C-N 3.28Å; F204-R206 PolarHBondContact O-N 2.65Å; F204-M207 HydrophobicContact CD2-CE 3.93Å; F204-M207 HydrophobicContact CE2-CE 4.05Å; F204-M207 WeakPolarHBondContact O-CA 3.45Å; F204-M207 WeakPolarHBondContact O-CB 3.4Å; F204-M207 PolarHBondContact O-N 3.36Å; F204-V208 HydrophobicContact CD1-CG2 4.01Å; F204-V208 HydrophobicContact CE1-CG2 3.58Å; F204-V208 HydrophobicContact CE2-CG2 4.46Å; F204-V208 HydrophobicContact CZ-CG2 3.83Å; F204-V208 WeakPolarHBondContact O-CG2 3.42Å; F204-V208 PolarHBondContact O-N 3.49Å; F204-I264 HydrophobicContact CB-CD1 4.37Å; F204-W288 HydrophobicContact CE2-CB 3.73Å; F204-W288 HydrophobicContact CE2-CG 4.4Å; F204-W288 HydrophobicContact CZ-CB 4.04Å; F204-W288 HydrophobicContact CZ-CE3 4.15Å; F204-L291 HydrophobicContact CE2-CD1 4.02Å; F204-F293 HydrophobicContact CD1-CB 3.71Å; F204-F293 HydrophobicContact CD2-CB 4.3Å; F204-F293 HydrophobicContact CE1-CB 3.72Å; F204-F293 HydrophobicContact CE2-CB 4.29Å; F204-F293 HydrophobicContact CG-CB 4.01Å; F204-F293 HydrophobicContact CZ-CB 4.02Å; F204-A294 HydrophobicContact CE1-CB 4.36Å; F204-A294 HydrophobicContact CZ-CB 4.15Å; F204-P362 HydrophobicContact CE1-CG 4.33Å
205E98.3Very high95.4Very high1 Ų123.1 Ų23.11%0.00512%0.118CC..Hα-helixtrans-60.1-37.1177.6-75174.7-175.900112.6Q201 M207 V208 V209 F298 S299 T302Q201-E205 PolarHBondContact NE2-OE1 3.46Å; Q201-E205 WeakPolarHBondContact O-CB 3.46Å; Q201-E205 VanDerWaalsContact O-CG 3.28Å; Q201-E205 WeakPolarHBondContact O-CG 3.4Å; Q201-E205 PolarHBondContact O-N 3.43Å; E205-M207 VanDerWaalsContact C-N 3.34Å; E205-M207 PolarHBondContact O-N 2.97Å; E205-V208 WeakPolarHBondContact O-CB 3.48Å; E205-V208 PolarHBondContact O-N 3.1Å; E205-V209 VanDerWaalsContact O-CG2 3.28Å; E205-V209 WeakPolarHBondContact O-CG2 3.36Å; E205-V209 PolarHBondContact O-N 3.24Å; E205-F298 HydrophobicContact CB-CD1 4.25Å; E205-F298 HydrophobicContact CB-CE1 4.42Å; E205-F298 HydrophobicContact CG-CD1 3.94Å; E205-F298 HydrophobicContact CG-CE1 4.32Å; E205-S299 PolarHBondContact OE1-N 3.42Å; E205-S299 VanDerWaalsContact OE1-N 3.11Å; E205-S299 WeakPolarHBondContact OE2-CB 3.44Å; E205-S299 PolarHBondContact OE2-N 3.2Å; E205-S299 PolarHBondContact OE2-OG 3.03Å; E205-T302 HydrophobicContact CB-CG2 4.14Å; E205-T302 WeakPolarHBondContact OE2-CB 3.29Å; E205-T302 PolarHBondContact OE2-OG1 3.12Å
206R98.5Very high95.9Very high65 Ų6520.8 Ų20.825%0.2459%0.093CC..Hα-helixtrans-62.2-41.4173.1-68.8167.7-179.8-1546.4111.8L115 I117 L202 Q203 F204 V209 L210L115-R206 HydrophobicContact CB-CB 4.31Å; L115-R206 HydrophobicContact CD2-CB 4.16Å; L115-R206 HydrophobicContact CD2-CG 4.1Å; L115-R206 WeakPolarHBondContact O-CD 3.5Å; L115-R206 PolarHBondContact O-NH1 3.36Å; I117-R206 VanDerWaalsContact CD1-C 3.49Å; I117-R206 HydrophobicContact CD1-CB 4.16Å; I117-R206 WeakPolarHBondContact CD1-O 3.43Å; I117-R206 HydrophobicContact CG2-CB 4.02Å; L202-R206 WeakPolarHBondContact O-CG 3.26Å; L202-R206 PolarHBondContact O-N 2.86Å; Q203-R206 WeakPolarHBondContact O-CB 3.37Å; Q203-R206 PolarHBondContact O-N 3.05Å; F204-R206 VanDerWaalsContact C-N 3.28Å; F204-R206 PolarHBondContact O-N 2.65Å; R206-V209 PolarHBondContact O-N 3.24Å; R206-L210 PolarHBondContact O-N 2.94Å
207M97.9Very high96.2Very high0 Ų020.7 Ų20.70%09%0.093CC..Hα-helixtrans-64.6-43.7176-176.7-177.367.800111.6I117 Q203 F204 E205 V209 L210 D211 W224 I264 W288I117-M207 HydrophobicContact CD1-CB 3.91Å; Q203-M207 PolarHBondContact O-N 3.17Å; F204-M207 HydrophobicContact CD2-CE 3.93Å; F204-M207 HydrophobicContact CE2-CE 4.05Å; F204-M207 WeakPolarHBondContact O-CA 3.45Å; F204-M207 WeakPolarHBondContact O-CB 3.4Å; F204-M207 PolarHBondContact O-N 3.36Å; E205-M207 VanDerWaalsContact C-N 3.34Å; E205-M207 PolarHBondContact O-N 2.97Å; M207-V209 VanDerWaalsContact C-N 3.33Å; M207-V209 PolarHBondContact O-N 2.97Å; M207-L210 PolarHBondContact O-N 3.26Å; M207-D211 WeakPolarHBondContact O-CB 3.49Å; M207-D211 PolarHBondContact O-N 2.89Å; M207-W224 HydrophobicContact CE-CD2 4.11Å; M207-W224 HydrophobicContact CE-CE3 4.46Å; M207-W224 HydrophobicContact CE-CG 4.25Å; M207-W224 HydrophobicContact SD-CB 3.6Å; M207-W224 HydrophobicContact SD-CD2 3.86Å; M207-W224 HydrophobicContact SD-CE3 4.29Å; M207-W224 HydrophobicContact SD-CG 3.5Å; M207-W224 VanDerWaalsContact SD-CG 3.5Å; M207-I264 HydrophobicContact SD-CG2 4.19Å; M207-W288 HydrophobicContact CE-CB 4.16Å; M207-W288 HydrophobicContact CE-CG 4.16Å
208V98.3Very high96.5Very high0 Ų020.4 Ų20.40%09%0.093CC..Hα-helixtrans-55.8-48.5173.8168.10000110.9F204 E205 L210 D211 Y212 W288 F298 P362F204-V208 HydrophobicContact CD1-CG2 4.01Å; F204-V208 HydrophobicContact CE1-CG2 3.58Å; F204-V208 HydrophobicContact CE2-CG2 4.46Å; F204-V208 HydrophobicContact CZ-CG2 3.83Å; F204-V208 WeakPolarHBondContact O-CG2 3.42Å; F204-V208 PolarHBondContact O-N 3.49Å; E205-V208 WeakPolarHBondContact O-CB 3.48Å; E205-V208 PolarHBondContact O-N 3.1Å; V208-L210 PolarHBondContact O-N 3.42Å; V208-D211 PolarHBondContact O-N 2.97Å; V208-Y212 VanDerWaalsContact O-CB 3.22Å; V208-Y212 WeakPolarHBondContact O-CB 3.44Å; V208-Y212 PolarHBondContact O-N 3.47Å; V208-W288 HydrophobicContact CB-CH2 4.21Å; V208-W288 HydrophobicContact CB-CZ2 4.28Å; V208-W288 HydrophobicContact CB-CZ3 4.46Å; V208-W288 HydrophobicContact CG1-CH2 3.68Å; V208-W288 HydrophobicContact CG1-CZ2 4.14Å; V208-W288 HydrophobicContact CG1-CZ3 4.04Å; V208-W288 HydrophobicContact CG2-CD2 3.98Å; V208-W288 HydrophobicContact CG2-CE3 3.75Å; V208-W288 HydrophobicContact CG2-CH2 3.99Å; V208-W288 HydrophobicContact CG2-CZ2 4.13Å; V208-W288 HydrophobicContact CG2-CZ3 3.78Å; V208-F298 HydrophobicContact CB-CE1 4.5Å; V208-F298 HydrophobicContact CG1-CE1 3.93Å; V208-F298 HydrophobicContact CG1-CZ 3.73Å; V208-P362 HydrophobicContact CG1-CB 3.87Å; V208-P362 HydrophobicContact CG1-CG 4.11Å; V208-P362 HydrophobicContact CG2-CB 4.15Å; V208-P362 HydrophobicContact CG2-CG 4.23Å
209V98.8Very high96.6Very high0 Ų014.8 Ų14.80%07%0.069CC..Hα-helixtrans-59.1-48.7179.71660000111.1L113 L115 E205 R206 M207 I213 F298 T302 V306 L352L113-V209 HydrophobicContact CD1-CG1 4.21Å; L115-V209 HydrophobicContact CD1-CG1 4.07Å; L115-V209 HydrophobicContact CD2-CB 4.48Å; L115-V209 HydrophobicContact CD2-CG1 4.11Å; E205-V209 VanDerWaalsContact O-CG2 3.28Å; E205-V209 WeakPolarHBondContact O-CG2 3.36Å; E205-V209 PolarHBondContact O-N 3.24Å; R206-V209 PolarHBondContact O-N 3.24Å; M207-V209 VanDerWaalsContact C-N 3.33Å; M207-V209 PolarHBondContact O-N 2.97Å; V209-I213 HydrophobicContact CG1-CD1 3.89Å; V209-I213 WeakPolarHBondContact O-CG1 3.33Å; V209-I213 PolarHBondContact O-N 3.27Å; V209-I213 VanDerWaalsContact O-N 3.1Å; V209-F298 HydrophobicContact CG2-CE1 4.44Å; V209-T302 HydrophobicContact CG2-CG2 4.24Å; V209-V306 HydrophobicContact CG1-CG1 3.92Å; V209-V306 HydrophobicContact CG1-CG2 4.07Å; V209-V306 HydrophobicContact CG2-CG1 4.47Å; V209-V306 HydrophobicContact CG2-CG2 4.19Å; V209-L352 HydrophobicContact CB-CD2 4.47Å; V209-L352 HydrophobicContact CG1-CD2 4.02Å; V209-L352 HydrophobicContact CG2-CD2 4.3Å
210L98.8Very high96.5Very high0 Ų012.2 Ų12.20%06%0.058CC..Hα-helixtrans-58.2-58.4177.6175.970.6000111.1V109 D110 L115 I117 V118 R206 M207 V208 Y212 I213 I214 A266V109-L210 HydrophobicContact CB-CD1 4.34Å; V109-L210 HydrophobicContact CG1-CD1 4.08Å; D110-L210 HydrophobicContact CB-CD1 4.32Å; L115-L210 HydrophobicContact CD1-CB 3.82Å; L115-L210 HydrophobicContact CD1-CD1 4.49Å; I117-L210 HydrophobicContact CD1-CB 4.11Å; I117-L210 HydrophobicContact CD1-CD2 3.94Å; I117-L210 HydrophobicContact CG1-CD2 4.29Å; V118-L210 HydrophobicContact CG2-CD1 4.29Å; V118-L210 HydrophobicContact CG2-CD2 3.25Å; V118-L210 HydrophobicContact CG2-CG 4.39Å; R206-L210 PolarHBondContact O-N 2.94Å; M207-L210 PolarHBondContact O-N 3.26Å; V208-L210 PolarHBondContact O-N 3.42Å; L210-Y212 PolarHBondContact O-N 3.31Å; L210-I213 PolarHBondContact O-N 2.93Å; L210-I214 HydrophobicContact CD1-CD1 4.38Å; L210-I214 HydrophobicContact CD1-CG2 4.14Å; L210-I214 HydrophobicContact CG-CD1 4.18Å; L210-I214 WeakPolarHBondContact O-CG1 3.29Å; L210-I214 PolarHBondContact O-N 2.99Å; L210-A266 HydrophobicContact CD2-CB 3.88Å
211D98.5Very high96.2Very high0 Ų014.2 Ų14.20%07%0.067CC..Hα-helixtrans-60.5-34.8-175.1-80.9-22.7000112.3M207 V208 R215 N216 R219 Y286 W288M207-D211 WeakPolarHBondContact O-CB 3.49Å; M207-D211 PolarHBondContact O-N 2.89Å; V208-D211 PolarHBondContact O-N 2.97Å; D211-R215 CarbonylContact O-C 3.41Å; D211-R215 WeakPolarHBondContact O-CA 3.38Å; D211-R215 PolarHBondContact O-N 3.19Å; D211-N216 HydrophobicContact CB-CB 4.08Å; D211-N216 PolarHBondContact O-N 2.93Å; D211-N216 WeakPolarHBondContact OD1-CB 3.39Å; D211-N216 PolarHBondContact OD1-ND2 3.37Å; D211-R219 IonicContact OD1-CZ 2.77Å; D211-R219 VanDerWaalsContact OD1-CZ 3.31Å; D211-R219 IonicContact OD1-NE 3.97Å; D211-R219 PolarHBondContact OD1-NE 2.96Å; D211-R219 IonicContact OD1-NH2 3.89Å; D211-R219 PolarHBondContact OD1-NH2 3.37Å; D211-R219 WeakPolarHBondContact OD2-CB 3.46Å; D211-R219 WeakPolarHBondContact OD2-CG 3.29Å; D211-R219 IonicContact OD2-CZ 3.7Å; D211-R219 IonicContact OD2-NE 3.31Å; D211-R219 PolarHBondContact OD2-NE 3.19Å; D211-R219 IonicContact OD2-NH2 2.65Å; D211-Y286 HydrophobicContact CB-CD1 4.2Å; D211-Y286 HydrophobicContact CB-CE1 4.04Å; D211-Y286 WeakPolarHBondContact O-CE1 3.41Å; D211-Y286 PolarHBondContact O-OH 2.93Å; D211-W288 HydrophobicContact CB-CZ2 4.26Å; D211-W288 PolarHBondContact OD2-NE1 3.25Å
212Y98.6Very high95.8Very high7 Ų717.5 Ų17.53%0.0279%0.085CC..Hα-helixtrans-67.8-50.2177.1-164.1-96.4000111.5V208 L210 R215 Y286 Q348 N351 L352 L365 V366V208-Y212 VanDerWaalsContact O-CB 3.22Å; V208-Y212 WeakPolarHBondContact O-CB 3.44Å; V208-Y212 PolarHBondContact O-N 3.47Å; L210-Y212 PolarHBondContact O-N 3.31Å; Y212-R215 PolarHBondContact O-N 2.85Å; Y212-R215 VanDerWaalsContact O-N 3.1Å; Y212-Y286 WeakPolarHBondContact CA-OH 3.5Å; Y212-Y286 HydrophobicContact CD2-CE2 4.19Å; Y212-Q348 HydrophobicContact CD1-CB 3.98Å; Y212-Q348 HydrophobicContact CE1-CB 4Å; Y212-Q348 WeakPolarHBondContact CE1-O 3.48Å; Y212-Q348 WeakPolarHBondContact O-CB 3.43Å; Y212-Q348 VanDerWaalsContact O-CG 3.22Å; Y212-Q348 WeakPolarHBondContact O-CG 3.37Å; Y212-Q348 PolarHBondContact OH-OE1 3.2Å; Y212-N351 HydrophobicContact CE1-CB 3.97Å; Y212-N351 VanDerWaalsContact OH-CB 3.27Å; Y212-N351 WeakPolarHBondContact OH-CB 3.37Å; Y212-N351 PolarHBondContact OH-ND2 3.49Å; Y212-L352 HydrophobicContact CD1-CB 3.99Å; Y212-L352 HydrophobicContact CE1-CB 4.16Å; Y212-L365 HydrophobicContact CD1-CD1 4.19Å; Y212-L365 HydrophobicContact CD1-CD2 4.05Å; Y212-L365 HydrophobicContact CD1-CG 4.34Å; Y212-L365 HydrophobicContact CD2-CD1 4.42Å; Y212-L365 HydrophobicContact CD2-CD2 3.8Å; Y212-L365 HydrophobicContact CD2-CG 3.84Å; Y212-L365 HydrophobicContact CE1-CD1 3.59Å; Y212-L365 HydrophobicContact CE1-CD2 4.27Å; Y212-L365 HydrophobicContact CE1-CG 4.08Å; Y212-L365 HydrophobicContact CE2-CD1 3.86Å; Y212-L365 HydrophobicContact CE2-CD2 4.05Å; Y212-L365 HydrophobicContact CE2-CG 3.55Å; Y212-L365 HydrophobicContact CG-CD2 3.79Å; Y212-L365 HydrophobicContact CG-CG 4.22Å; Y212-L365 WeakPolarHBondContact OH-CD1 3.34Å; Y212-L365 PolarHBondContact OH-O 3.3Å; Y212-V366 HydrophobicContact CD2-CG1 4.37Å; Y212-V366 HydrophobicContact CE2-CG1 4.43Å
213I98.5Very high95.5Very high0 Ų016.7 Ų16.70%08%0.081CC..Hα-helixtrans-62.4-47.4-178.1-71.6172.4000111.5V109 L113 V209 L210 R215 I310 M319 L345 L352V109-I213 HydrophobicContact CG1-CG2 3.93Å; L113-I213 HydrophobicContact CD1-CD1 3.38Å; V209-I213 HydrophobicContact CG1-CD1 3.89Å; V209-I213 WeakPolarHBondContact O-CG1 3.33Å; V209-I213 PolarHBondContact O-N 3.27Å; V209-I213 VanDerWaalsContact O-N 3.1Å; L210-I213 PolarHBondContact O-N 2.93Å; I213-R215 PolarHBondContact O-N 3.08Å; I213-I310 HydrophobicContact CD1-CG2 4.04Å; I213-M319 HydrophobicContact CG2-CE 4.39Å; I213-L345 HydrophobicContact CG2-CD1 4.26Å; I213-L345 HydrophobicContact CG2-CD2 4.5Å; I213-L345 HydrophobicContact CG2-CG 4.06Å; I213-L352 HydrophobicContact CD1-CD2 3.79Å; I213-L352 HydrophobicContact CG1-CD2 3.8Å
214I98.3Very high95.4Very high2 Ų215.5 Ų15.51%0.018%0.076CC..THydrogen-bonded Turntrans-77.4-5.917974.5-178.6000112.3A106 V109 L210 N216 A272 F273A106-I214 HydrophobicContact CB-CD1 3.99Å; V109-I214 HydrophobicContact CB-CG2 4.08Å; V109-I214 HydrophobicContact CG1-CG2 3.97Å; V109-I214 HydrophobicContact CG2-CG2 4.06Å; L210-I214 HydrophobicContact CD1-CD1 4.38Å; L210-I214 HydrophobicContact CD1-CG2 4.14Å; L210-I214 HydrophobicContact CG-CD1 4.18Å; L210-I214 WeakPolarHBondContact O-CG1 3.29Å; L210-I214 PolarHBondContact O-N 2.99Å; I214-N216 HydrophobicContact CD1-CB 4.19Å; I214-N216 HydrophobicContact CG1-CB 4.05Å; I214-N216 PolarHBondContact O-N 3.25Å; I214-A272 HydrophobicContact CB-CB 4.03Å; I214-A272 HydrophobicContact CD1-CB 3.62Å; I214-A272 HydrophobicContact CG1-CB 3.67Å; I214-F273 HydrophobicContact CB-CD1 4.44Å; I214-F273 HydrophobicContact CB-CD2 4.46Å; I214-F273 HydrophobicContact CB-CE1 4.01Å; I214-F273 HydrophobicContact CB-CE2 4.02Å; I214-F273 HydrophobicContact CB-CZ 3.79Å; I214-F273 HydrophobicContact CG2-CE1 3.83Å; I214-F273 HydrophobicContact CG2-CE2 4.08Å; I214-F273 HydrophobicContact CG2-CZ 3.45Å; I214-F273 VanDerWaalsContact CG2-CZ 3.45Å; I214-F273 WeakPolarHBondContact O-CA 3.46Å; I214-F273 PolarHBondContact O-N 2.79Å
215R97.7Very high95.3Very high23 Ų2317 Ų179%0.0878%0.083CC..THydrogen-bonded Turntrans43.262.1-168-175.845.1-178.8123.3-6.4111.1D211 Y212 I213 T217 P274 A283 Y284 Y286 V344 Q348D211-R215 CarbonylContact O-C 3.41Å; D211-R215 WeakPolarHBondContact O-CA 3.38Å; D211-R215 PolarHBondContact O-N 3.19Å; Y212-R215 PolarHBondContact O-N 2.85Å; Y212-R215 VanDerWaalsContact O-N 3.1Å; I213-R215 PolarHBondContact O-N 3.08Å; R215-T217 PolarHBondContact O-N 3.03Å; R215-P274 HydrophobicContact CB-CG 3.86Å; R215-P274 HydrophobicContact CG-CG 3.64Å; R215-A283 PolarHBondContact NH2-O 3.26Å; R215-Y284 PolarHBondContact NH1-O 3.17Å; R215-Y284 PolarHBondContact NH2-O 3.44Å; R215-Y286 WeakPolarHBondContact CD-OH 3.38Å; R215-V344 HydrophobicContact CB-CG1 4.37Å; R215-Q348 HydrophobicContact CB-CG 4.37Å
216N96.8Very high94.9Very high0 Ų017.2 Ų17.20%08%0.084CC..  trans-58.6132.8175.1-166-15.6000109.2D211 I214 D218 R219 A272 Y286D211-N216 HydrophobicContact CB-CB 4.08Å; D211-N216 PolarHBondContact O-N 2.93Å; D211-N216 WeakPolarHBondContact OD1-CB 3.39Å; D211-N216 PolarHBondContact OD1-ND2 3.37Å; I214-N216 HydrophobicContact CD1-CB 4.19Å; I214-N216 HydrophobicContact CG1-CB 4.05Å; I214-N216 PolarHBondContact O-N 3.25Å; N216-D218 PolarHBondContact OD1-N 2.93Å; N216-R219 VanDerWaalsContact ND2-CZ 3.32Å; N216-R219 PolarHBondContact ND2-NH2 3.28Å; N216-A272 HydrophobicContact CB-CB 4.42Å; N216-Y286 WeakPolarHBondContact O-CE1 3.45Å
217T94.3Very high94.5Very high3 Ų318.5 Ų18.52%0.0189%0.092CC..SBendtrans-103.5-6.5-179.660.80000112.4R91 R215 L271 Y284R91-T217 WeakPolarHBondContact CD-OG1 3.27Å; R91-T217 VanDerWaalsContact NH1-CB 3.33Å; R91-T217 PolarHBondContact NH1-O 3.18Å; R91-T217 PolarHBondContact NH1-OG1 3.45Å; R91-T217 PolarHBondContact NH2-O 3.34Å; R215-T217 PolarHBondContact O-N 3.03Å; T217-L271 PolarHBondContact N-O 3.21Å; T217-L271 PolarHBondContact OG1-O 2.84Å; T217-Y284 HydrophobicContact CG2-CD2 4.27Å; T217-Y284 HydrophobicContact CG2-CG 4.46Å
218D92.9Very high93.9Very high38 Ų3819.1 Ų19.120%0.20310%0.096CC..  trans-128.624.7-176.7-141.225.6000116.2R91 N216 T220 N223 L271R91-D218 IonicContact CZ-OD1 3.54Å; R91-D218 VanDerWaalsContact NH1-N 3.16Å; R91-D218 IonicContact NH1-OD1 3.61Å; R91-D218 VanDerWaalsContact NH2-CG 3.32Å; R91-D218 IonicContact NH2-OD1 3.73Å; R91-D218 PolarHBondContact NH2-OD1 3.31Å; N216-D218 PolarHBondContact OD1-N 2.93Å; D218-T220 VanDerWaalsContact C-N 3.32Å; D218-T220 PolarHBondContact O-N 3.45Å; D218-N223 PolarHBondContact O-ND2 3.38Å; D218-L271 HydrophobicContact CB-CB 4.06Å; D218-L271 HydrophobicContact CB-CD1 3.96Å; D218-L271 WeakPolarHBondContact OD2-CD1 3.13Å
219R93.7Very high93.2Very high1 Ų121 Ų210%0.00411%0.11CC..  trans-74.689.8176.1-172.57261.4-150.9-4.3110.7D211 N216 N223 I267 N269 H287D211-R219 IonicContact OD1-CZ 2.77Å; D211-R219 VanDerWaalsContact OD1-CZ 3.31Å; D211-R219 IonicContact OD1-NE 3.97Å; D211-R219 PolarHBondContact OD1-NE 2.96Å; D211-R219 IonicContact OD1-NH2 3.89Å; D211-R219 PolarHBondContact OD1-NH2 3.37Å; D211-R219 WeakPolarHBondContact OD2-CB 3.46Å; D211-R219 WeakPolarHBondContact OD2-CG 3.29Å; D211-R219 IonicContact OD2-CZ 3.7Å; D211-R219 IonicContact OD2-NE 3.31Å; D211-R219 PolarHBondContact OD2-NE 3.19Å; D211-R219 IonicContact OD2-NH2 2.65Å; N216-R219 VanDerWaalsContact ND2-CZ 3.32Å; N216-R219 PolarHBondContact ND2-NH2 3.28Å; R219-N223 PolarHBondContact NH1-O 3.21Å; R219-I267 PolarHBondContact NH1-O 3.26Å; R219-N269 PolarHBondContact NH2-OD1 3.08Å; R219-H287 VanDerWaalsContact O-CB 3.3Å; R219-H287 WeakPolarHBondContact O-CB 3.35Å; R219-H287 PolarHBondContact O-CD2 3.31Å; R219-H287 VanDerWaalsContact O-CD2 3.25Å; R219-H287 PolarHBondContact O-N 2.87Å
220T90.6Very high92.1Very high32 Ų3222.2 Ų22.220%0.19612%0.121CC..  trans-88.6171167.269.90000110.7D218 N222 N223 W224D218-T220 VanDerWaalsContact C-N 3.32Å; D218-T220 PolarHBondContact O-N 3.45Å; T220-N222 PolarHBondContact O-N 3.47Å; T220-N222 PolarHBondContact OG1-N 2.95Å; T220-N223 PolarHBondContact O-N 2.91Å; T220-W224 PolarHBondContact O-NE1 2.95Å
221H86.9Confident90.9Very high43 Ų4324.9 Ų24.920%0.19914%0.135CC..G310 helixtrans-64-22.1174.7-61-54.5000114.1N179 T181 L184 W224 H287N179-H221 PolarHBondContact OD1-O 3.37Å; T181-H221 HydrophobicContact CG2-CB 3.7Å; L184-H221 HydrophobicContact CD1-CB 4.33Å; H221-W224 AromaticContact ND1-CZ2 3.69Å; H221-W224 AromaticContact ND1-NE1 3.74Å; H221-H287 PolarHBondContact CE1-O 2.83Å
222N86.4Confident89.6Confident88 Ų8830.3 Ų30.347%0.47116%0.159SC..G310 helixtrans-79.9-18.2178.2-61.8-19000113.8N179 T181 T220N179-N222 WeakPolarHBondContact ND2-CA 3.5Å; N179-N222 PolarHBondContact ND2-OD1 2.88Å; N179-N222 WeakPolarHBondContact OD1-CA 3.44Å; N179-N222 PolarHBondContact OD1-OD1 2.97Å; T181-N222 VanDerWaalsContact CG2-OD1 3.28Å; T181-N222 WeakPolarHBondContact CG2-OD1 3.15Å; T220-N222 PolarHBondContact O-N 3.47Å; T220-N222 PolarHBondContact OG1-N 2.95Å
223N90.5Very high88.3Confident22 Ų2232.5 Ų32.512%0.11818%0.178CC..G310 helixtrans-99.614.6-172-68.6-3.3000112.7D218 R219 T220 I267 D268D218-N223 PolarHBondContact O-ND2 3.38Å; R219-N223 PolarHBondContact NH1-O 3.21Å; T220-N223 PolarHBondContact O-N 2.91Å; N223-I267 WeakPolarHBondContact O-CG1 3.48Å; N223-I267 PolarHBondContact O-N 3.39Å; N223-D268 HydrophobicContact CB-CB 4.27Å; N223-D268 PolarHBondContact ND2-OD2 3.4Å
224W93Very high86.7Confident1 Ų135.5 Ų35.50%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-137.2141.9165.752.7-77.1000108G180 F200 M207 T220 H221 I226 I264 A265 L291G180-W224 WeakPolarHBondContact CA-O 3.47Å; G180-W224 PolarHBondContact N-O 3.38Å; F200-W224 HydrophobicContact CE2-CZ3 4.18Å; F200-W224 HydrophobicContact CZ-CH2 4.19Å; F200-W224 HydrophobicContact CZ-CZ3 4.04Å; M207-W224 HydrophobicContact CE-CD2 4.11Å; M207-W224 HydrophobicContact CE-CE3 4.46Å; M207-W224 HydrophobicContact CE-CG 4.25Å; M207-W224 HydrophobicContact SD-CB 3.6Å; M207-W224 HydrophobicContact SD-CD2 3.86Å; M207-W224 HydrophobicContact SD-CE3 4.29Å; M207-W224 HydrophobicContact SD-CG 3.5Å; M207-W224 VanDerWaalsContact SD-CG 3.5Å; T220-W224 PolarHBondContact O-NE1 2.95Å; H221-W224 AromaticContact ND1-CZ2 3.69Å; H221-W224 AromaticContact ND1-NE1 3.74Å; W224-I226 HydrophobicContact CE3-CD1 4.12Å; W224-I226 HydrophobicContact CE3-CG1 3.89Å; W224-I226 HydrophobicContact CH2-CD1 3.96Å; W224-I226 HydrophobicContact CZ3-CD1 3.37Å; W224-I226 HydrophobicContact CZ3-CG1 3.62Å; W224-I264 HydrophobicContact CB-CG2 4.39Å; W224-I264 HydrophobicContact CE3-CD1 4.13Å; W224-I264 HydrophobicContact CE3-CG1 4.34Å; W224-I264 HydrophobicContact CE3-CG2 4.18Å; W224-I264 HydrophobicContact CZ3-CD1 4.09Å; W224-I264 HydrophobicContact CZ3-CG1 4.48Å; W224-A265 CarbonylContact C-O 3.59Å; W224-A265 VanDerWaalsContact CA-O 3.32Å; W224-A265 WeakPolarHBondContact CA-O 3.25Å; W224-L291 HydrophobicContact CZ2-CD1 4.35Å
225L93Very high85.2Confident31 Ų3141 Ų4116%0.16223%0.225CC..EExtended strand (participates in β ladder)trans-109158.1-175.4-49.1177000110.5Y177 R178 I264 A265 I267Y177-L225 HydrophobicContact CD1-CB 3.83Å; Y177-L225 HydrophobicContact CG-CB 4.27Å; R178-L225 CarbonylContact O-C 3.55Å; R178-L225 WeakPolarHBondContact O-CA 3.44Å; R178-L225 WeakPolarHBondContact O-CB 3.23Å; L225-I264 CarbonylContact O-C 3.47Å; L225-I264 VanDerWaalsContact O-CA 3.26Å; L225-I264 WeakPolarHBondContact O-CA 3.27Å; L225-A265 HydrophobicContact CB-CB 4.28Å; L225-A265 PolarHBondContact N-O 2.95Å; L225-A265 PolarHBondContact O-N 3.21Å; L225-I267 HydrophobicContact CD1-CD1 4.01Å; L225-I267 HydrophobicContact CD1-CG2 3.98Å; L225-I267 HydrophobicContact CD2-CD1 3.73Å; L225-I267 HydrophobicContact CD2-CG1 4.48Å; L225-I267 HydrophobicContact CG-CD1 3.75Å; L225-I267 HydrophobicContact CG-CG1 4.12Å; L225-I267 HydrophobicContact CG-CG2 4.19Å
226I90.3Very high83.4Confident5 Ų543 Ų433%0.02624%0.238CC..EExtended strand (participates in β ladder)trans-128.5136.4177.8-58.9171000109.2Y177 R178 W183 F200 W224 C228 V262 K263 I264Y177-I226 WeakPolarHBondContact CA-O 3.47Å; R178-I226 PolarHBondContact N-O 2.74Å; R178-I226 PolarHBondContact O-N 3.44Å; W183-I226 HydrophobicContact CB-CD1 3.05Å; W183-I226 HydrophobicContact CD2-CD1 4.29Å; W183-I226 HydrophobicContact CE3-CD1 4.41Å; W183-I226 HydrophobicContact CE3-CG2 4.03Å; W183-I226 HydrophobicContact CG-CD1 3.77Å; F200-I226 HydrophobicContact CE2-CD1 4Å; W224-I226 HydrophobicContact CE3-CD1 4.12Å; W224-I226 HydrophobicContact CE3-CG1 3.89Å; W224-I226 HydrophobicContact CH2-CD1 3.96Å; W224-I226 HydrophobicContact CZ3-CD1 3.37Å; W224-I226 HydrophobicContact CZ3-CG1 3.62Å; I226-C228 HydrophobicContact CG2-CB 4.43Å; I226-V262 HydrophobicContact CG2-CG2 3.8Å; I226-K263 WeakPolarHBondContact CA-O 3.44Å; I226-I264 HydrophobicContact CG1-CG1 4.38Å
227K90Very high81.6Confident92 Ų9252.3 Ų52.340%0.428%0.281SS..EExtended strand (participates in β ladder)trans-117.8118.1164.9-178.7169-174.1165.30107.9E175 Y177 V262 K263E175-K227 PolarHBondContact O-NZ 3.23Å; Y177-K227 HydrophobicContact CD1-CB 3.74Å; Y177-K227 HydrophobicContact CD2-CB 3.71Å; Y177-K227 HydrophobicContact CD2-CD 3.72Å; Y177-K227 HydrophobicContact CD2-CG 4.3Å; Y177-K227 HydrophobicContact CE1-CB 3.69Å; Y177-K227 HydrophobicContact CE2-CB 3.65Å; Y177-K227 HydrophobicContact CE2-CD 3.45Å; Y177-K227 VanDerWaalsContact CE2-CD 3.45Å; Y177-K227 HydrophobicContact CE2-CG 4.21Å; Y177-K227 HydrophobicContact CG-CB 3.76Å; K227-V262 CarbonylContact O-C 3.52Å; K227-V262 VanDerWaalsContact O-CA 3.31Å; K227-V262 WeakPolarHBondContact O-CA 3.42Å; K227-K263 PolarHBondContact N-O 3.37Å; K227-K263 PolarHBondContact O-N 3.02Å
228C85.7Confident79.7Confident14 Ų1456.5 Ų56.510%0.09531%0.311CS..EExtended strand (participates in β ladder)trans-126.3132.4176.2-172.10000110.1W183 I226 I231 T261 V262W183-C228 HydrophobicContact CZ3-CB 4.35Å; I226-C228 HydrophobicContact CG2-CB 4.43Å; C228-I231 HydrophobicContact CB-CD1 3.63Å; C228-I231 HydrophobicContact CB-CG1 3.94Å; C228-T261 VanDerWaalsContact CA-O 3.31Å; C228-T261 WeakPolarHBondContact CA-O 3.49Å; C228-T261 PolarHBondContact SG-O 3.31Å; C228-V262 HydrophobicContact CB-CB 4.44Å; C228-V262 HydrophobicContact CB-CG2 4.31Å
229S83.7Confident77.4Confident40 Ų4060.7 Ų60.728%0.2833%0.329SS..THydrogen-bonded Turntrans-66.9142.4171.956.80000109.9A259 Q260 T261S229-A259 VanDerWaalsContact O-CA 3.24Å; S229-A259 WeakPolarHBondContact O-CA 3.35Å; S229-A259 WeakPolarHBondContact O-CB 3.11Å; S229-Q260 PolarHBondContact OG-N 2.98Å; S229-T261 VanDerWaalsContact CB-OG1 3.31Å; S229-T261 WeakPolarHBondContact CB-OG1 3.14Å; S229-T261 PolarHBondContact N-O 2.83Å; S229-T261 PolarHBondContact OG-N 2.89Å; S229-T261 PolarHBondContact OG-O 3.36Å; S229-T261 PolarHBondContact OG-OG1 3.43Å; S229-T261 VanDerWaalsContact OG-OG1 3.1Å
230G76.8Confident75Confident24 Ų2468 Ų6825%0.24737%0.369CS..THydrogen-bonded Turntrans82.116.6174.800000114.4L256G230-L256 WeakPolarHBondContact O-CB 3.43Å; G230-L256 WeakPolarHBondContact O-CG 3.4Å; G230-L256 PolarHBondContact O-N 3.34Å
231I72.8Confident72.8Confident56 Ų5673.2 Ų73.229%0.28739%0.394SS..EExtended strand (participates in β ladder)trans-76.9121.4166.8-67.5-179.3000109L182 C228 I253 L255L182-I231 HydrophobicContact CD2-CD1 4.11Å; C228-I231 HydrophobicContact CB-CD1 3.63Å; C228-I231 HydrophobicContact CB-CG1 3.94Å; I231-I253 HydrophobicContact CG2-CG2 3.31Å; I231-L255 HydrophobicContact CG1-CD1 3.57Å
232K71.2Confident70.7Confident115 Ų11578.1 Ų78.150%0.542%0.421SS..EExtended strand (participates in β ladder)trans-104.9113.8167-172.9179.2177.8-174.60108.6Q254 L256K232-Q254 PolarHBondContact N-O 2.9Å; K232-Q254 PolarHBondContact O-N 3.24Å; K232-L256 HydrophobicContact CB-CG 4.44Å
233A70Confident68.5Low53 Ų5381.5 Ų81.544%0.43844%0.439SS..EExtended strand (participates in β ladder)trans-96126.9170.700000109L251 I253A233-L251 HydrophobicContact CB-CB 4.41Å; A233-L251 HydrophobicContact CB-CD1 4.22Å; A233-L251 HydrophobicContact CB-CD2 4.24Å; A233-I253 HydrophobicContact CB-CD1 4.48Å; A233-I253 HydrophobicContact CB-CG1 3.96Å
234T66.6Low65.8Low63 Ų6388.8 Ų88.839%0.38747%0.47SS..EExtended strand (participates in β ladder)trans-123.9138.2176.6-40.10000107.9N236 L251 I252T234-N236 PolarHBondContact O-N 3.47Å; T234-L251 CarbonylContact O-C 3.49Å; T234-L251 WeakPolarHBondContact O-CA 3.45Å; T234-I252 PolarHBondContact N-O 2.74Å; T234-I252 PolarHBondContact O-N 2.85Å
235L66.7Low63.1Low117 Ų11797.2 Ų97.261%0.61351%0.512SS*.EExtended strand (participates in β ladder)trans-64.7134.4174.9-72.4162.1000109.5E237 L251L235-E237 PolarHBondContact O-N 2.88Å; L235-L251 HydrophobicContact CD2-CD2 3.74Å; L235-L251 HydrophobicContact CG-CD2 4.05Å
236N60.4Low60.6Low64 Ų64101 Ų10134%0.34253%0.532SS..  trans-72.8110173.7-147.54.5000107.2T234 S238 S250 I252T234-N236 PolarHBondContact O-N 3.47Å; N236-S238 PolarHBondContact O-N 3.17Å; N236-S238 PolarHBondContact OD1-OG 3.08Å; N236-S250 WeakPolarHBondContact CB-O 3.36Å; N236-S250 PolarHBondContact N-O 2.86Å; N236-I252 HydrophobicContact CB-CD1 4.29Å; N236-I252 HydrophobicContact CB-CG1 4.03Å; N236-I252 WeakPolarHBondContact OD1-CD1 3.46Å; N236-I252 WeakPolarHBondContact OD1-CG1 3.46Å
237E57.2Low58.3Low196 Ų196105.3 Ų105.392%0.91656%0.559SS**THydrogen-bonded Turntrans-69.52-175-66.2-178.1166.300113.5L235L235-E237 PolarHBondContact O-N 2.88Å
238S55Low56.4Low92 Ų92106.4 Ų106.464%0.64357%0.566SS**THydrogen-bonded Turntrans-107.310.8-167.560.40000116N236N236-S238 PolarHBondContact O-N 3.17Å; N236-S238 PolarHBondContact OD1-OG 3.08Å
239E45.3Very low54.8Low126 Ų126111.1 Ų111.159%0.58959%0.594SS**SBendtrans-118125.4175.2-69.5-168.8165.200112I241E239-I241 PolarHBondContact O-N 2.93Å
240D43.3Very low53.4Low155 Ų155110.8 Ų110.883%0.82959%0.592SS**  trans-49.5126.8177-81-46.6000111.4N242D240-N242 PolarHBondContact O-N 3.44Å
241I44.2Very low52.7Low141 Ų141112 Ų11272%0.72359%0.592SS**THydrogen-bonded Turntrans-66.318.9-168.3-65.9167000114.2E239 F244E239-I241 PolarHBondContact O-N 2.93Å; I241-F244 HydrophobicContact CG2-CE2 4.41Å
242N43.1Very low52.4Low146 Ų146113.4 Ų113.478%0.78160%0.599SS**THydrogen-bonded Turntrans-95.54.2-169.3-72.2-31.8000116.3D240D240-N242 PolarHBondContact O-N 3.44Å
243N38.7Very low52.2Low159 Ų159109.8 Ų109.885%0.8559%0.585SS**  trans-127.485.2173.4-88.7-23.8000112.1M245N243-M245 PolarHBondContact O-N 2.99Å
244F33.9Very low52.1Low174 Ų174112.5 Ų112.576%0.76359%0.589SS**THydrogen-bonded Turntrans-78.429.7-174.5-128.3-90.1000115.1I241I241-F244 HydrophobicContact CG2-CE2 4.41Å
245M37.6Very low52.3Low179 Ų179110.9 Ų110.988%0.88258%0.577SS**THydrogen-bonded Turntrans-122.2-12.2-178.5-71.3-161.490.900116.4N243N243-M245 PolarHBondContact O-N 2.99Å
246D39.3Very low52.5Low109 Ų109108.3 Ų108.358%0.58356%0.564SS**  trans-120.267.2179.7-77-23.4000111.3E248 T249 S250D246-E248 VanDerWaalsContact C-N 3.28Å; D246-E248 PolarHBondContact O-N 3.04Å; D246-T249 PolarHBondContact O-N 3.08Å; D246-S250 PolarHBondContact O-OG 2.98Å
247T43.2Very low53Low97 Ų97111.1 Ų111.160%0.59559%0.586SS**THydrogen-bonded Turntrans-71.8-16.5-17650.70000114.5
248E49.3Very low53.7Low115 Ų115105.2 Ų105.254%0.53757%0.566SS.*THydrogen-bonded Turntrans-79.1-29.2175.9-71.1-161.4151.500112.6D246 S250D246-E248 VanDerWaalsContact C-N 3.28Å; D246-E248 PolarHBondContact O-N 3.04Å; E248-S250 VanDerWaalsContact C-N 3.31Å; E248-S250 PolarHBondContact O-N 2.82Å
249T51.5Low54.8Low113 Ų113101.2 Ų101.269%0.69354%0.539SS*.THydrogen-bonded Turntrans-75.3-22-175.6-31.50000112.5D246 L251D246-T249 PolarHBondContact O-N 3.08Å; T249-L251 PolarHBondContact O-N 3.49Å
250S54.9Low56.6Low32 Ų32102.4 Ų102.422%0.22454%0.544CS..THydrogen-bonded Turntrans-89.47.3-177.6-27.10000114N236 D246 E248N236-S250 WeakPolarHBondContact CB-O 3.36Å; N236-S250 PolarHBondContact N-O 2.86Å; D246-S250 PolarHBondContact O-OG 2.98Å; E248-S250 VanDerWaalsContact C-N 3.31Å; E248-S250 PolarHBondContact O-N 2.82Å
251L63.2Low58.8Low50 Ų5098.7 Ų98.726%0.26253%0.527SS..EExtended strand (participates in β ladder)trans-95.4120.3-176.2-66.3169.2000111.1A233 T234 L235 T249 I253A233-L251 HydrophobicContact CB-CB 4.41Å; A233-L251 HydrophobicContact CB-CD1 4.22Å; A233-L251 HydrophobicContact CB-CD2 4.24Å; T234-L251 CarbonylContact O-C 3.49Å; T234-L251 WeakPolarHBondContact O-CA 3.45Å; L235-L251 HydrophobicContact CD2-CD2 3.74Å; L235-L251 HydrophobicContact CG-CD2 4.05Å; T249-L251 PolarHBondContact O-N 3.49Å; L251-I253 HydrophobicContact CB-CD1 3.9Å; L251-I253 HydrophobicContact CB-CG1 3.85Å; L251-I253 PolarHBondContact O-N 3.06Å
252I65.5Low61Low85 Ų8592.3 Ų92.344%0.43650%0.495SS..EExtended strand (participates in β ladder)trans-71.7115.3159.3-62.2166.1000107.3T234 N236T234-I252 PolarHBondContact N-O 2.74Å; T234-I252 PolarHBondContact O-N 2.85Å; N236-I252 HydrophobicContact CB-CD1 4.29Å; N236-I252 HydrophobicContact CB-CG1 4.03Å; N236-I252 WeakPolarHBondContact OD1-CD1 3.46Å; N236-I252 WeakPolarHBondContact OD1-CG1 3.46Å
253I67.2Low63.4Low40 Ų4091.4 Ų91.421%0.20548%0.484CS..EExtended strand (participates in β ladder)trans-109.1118.9-178.8-60.3171.8000109.8L182 I231 A233 L251L182-I253 HydrophobicContact CD1-CB 3.68Å; L182-I253 HydrophobicContact CD1-CD1 3.09Å; L182-I253 HydrophobicContact CD1-CG1 3.89Å; L182-I253 HydrophobicContact CD1-CG2 3.71Å; L182-I253 HydrophobicContact CD2-CD1 4.02Å; L182-I253 HydrophobicContact CD2-CG2 4.36Å; L182-I253 HydrophobicContact CG-CD1 4.16Å; L182-I253 HydrophobicContact CG-CG2 4.39Å; I231-I253 HydrophobicContact CG2-CG2 3.31Å; A233-I253 HydrophobicContact CB-CD1 4.48Å; A233-I253 HydrophobicContact CB-CG1 3.96Å; L251-I253 HydrophobicContact CB-CD1 3.9Å; L251-I253 HydrophobicContact CB-CG1 3.85Å; L251-I253 PolarHBondContact O-N 3.06Å
254Q68.7Low66.1Low109 Ų10984 Ų8451%0.50944%0.444SS..EExtended strand (participates in β ladder)trans-118.2126-180-173.6178.79.200109.5K232K232-Q254 PolarHBondContact N-O 2.9Å; K232-Q254 PolarHBondContact O-N 3.24Å
255L69.7Low69.1Low29 Ų2975.7 Ų75.715%0.15241%0.408CS..EExtended strand (participates in β ladder)trans-80.8124.8168-164.978.2000110.4F187 L196 I231 A259F187-L255 HydrophobicContact CE1-CD2 3.83Å; F187-L255 HydrophobicContact CE2-CD2 4.2Å; F187-L255 HydrophobicContact CZ-CB 4.36Å; F187-L255 HydrophobicContact CZ-CD2 3.24Å; F187-L255 HydrophobicContact CZ-CG 4.3Å; L196-L255 HydrophobicContact CD2-CD2 3.39Å; I231-L255 HydrophobicContact CG1-CD1 3.57Å; L255-A259 HydrophobicContact CD1-CB 3.65Å; L255-A259 HydrophobicContact CD2-CB 3.46Å; L255-A259 VanDerWaalsContact CD2-CB 3.46Å; L255-A259 HydrophobicContact CG-CB 3.57Å
256L72.2Confident71.9Confident63 Ų6367.1 Ų67.133%0.3337%0.366SS..  trans-72.2144.3173.7-60.9175000110G230 K232 S258 A259G230-L256 WeakPolarHBondContact O-CB 3.43Å; G230-L256 WeakPolarHBondContact O-CG 3.4Å; G230-L256 PolarHBondContact O-N 3.34Å; K232-L256 HydrophobicContact CB-CG 4.44Å; L256-S258 WeakPolarHBondContact CB-OG 3.17Å; L256-S258 PolarHBondContact O-N 2.85Å; L256-A259 VanDerWaalsContact O-CB 3.28Å; L256-A259 WeakPolarHBondContact O-CB 3.38Å; L256-A259 PolarHBondContact O-N 3.46Å
257P69.6Low74.6Confident123 Ų12363.6 Ų63.680%0.79935%0.347SS*.THydrogen-bonded Turntrans-55.3-20.9173.6-26.134.5000114A259P257-A259 PolarHBondContact O-N 2.9Å
258S73Confident77Confident73 Ų7361.1 Ų61.151%0.5133%0.33SS..THydrogen-bonded Turntrans-75.93.3175.863.30000114.3L256 Q260L256-S258 WeakPolarHBondContact CB-OG 3.17Å; L256-S258 PolarHBondContact O-N 2.85Å; S258-Q260 WeakPolarHBondContact O-CG 3.34Å; S258-Q260 PolarHBondContact O-N 2.86Å
259A77.3Confident79.2Confident8 Ų855.7 Ų55.77%0.06630%0.304CS..  trans-65.9117.3177.200000111.3L196 S229 L255 L256 P257L196-A259 HydrophobicContact CD2-CB 3.88Å; S229-A259 VanDerWaalsContact O-CA 3.24Å; S229-A259 WeakPolarHBondContact O-CA 3.35Å; S229-A259 WeakPolarHBondContact O-CB 3.11Å; L255-A259 HydrophobicContact CD1-CB 3.65Å; L255-A259 HydrophobicContact CD2-CB 3.46Å; L255-A259 VanDerWaalsContact CD2-CB 3.46Å; L255-A259 HydrophobicContact CG-CB 3.57Å; L256-A259 VanDerWaalsContact O-CB 3.28Å; L256-A259 WeakPolarHBondContact O-CB 3.38Å; L256-A259 PolarHBondContact O-N 3.46Å; P257-A259 PolarHBondContact O-N 2.9Å
260Q83Confident81.2Confident150 Ų15050.9 Ų50.970%0.70128%0.277SS*.  trans-116.1-17.5-173.3-72.9175.97.400113.8M199 S229 S258M199-Q260 VanDerWaalsContact SD-O 3.37Å; S229-Q260 PolarHBondContact OG-N 2.98Å; S258-Q260 WeakPolarHBondContact O-CG 3.34Å; S258-Q260 PolarHBondContact O-N 2.86Å
261T88.7Confident83.1Confident77 Ų7751.6 Ų51.647%0.47228%0.278SS..  trans-139.6144.6-172.664.80000111.7C228 S229C228-T261 VanDerWaalsContact CA-O 3.31Å; C228-T261 WeakPolarHBondContact CA-O 3.49Å; C228-T261 PolarHBondContact SG-O 3.31Å; S229-T261 VanDerWaalsContact CB-OG1 3.31Å; S229-T261 WeakPolarHBondContact CB-OG1 3.14Å; S229-T261 PolarHBondContact N-O 2.83Å; S229-T261 PolarHBondContact OG-N 2.89Å; S229-T261 PolarHBondContact OG-O 3.36Å; S229-T261 PolarHBondContact OG-OG1 3.43Å; S229-T261 VanDerWaalsContact OG-OG1 3.1Å
262V90.5Very high84.7Confident8 Ų849.4 Ų49.45%0.04827%0.267CS..EExtended strand (participates in β ladder)trans-142.5138.8172.260.60000109.8W183 L196 M199 F200 I226 K227 C228W183-V262 HydrophobicContact CE3-CG2 4.1Å; W183-V262 HydrophobicContact CH2-CB 4.4Å; W183-V262 HydrophobicContact CH2-CG1 4.47Å; W183-V262 HydrophobicContact CH2-CG2 4.1Å; W183-V262 HydrophobicContact CZ3-CB 4.11Å; W183-V262 HydrophobicContact CZ3-CG2 3.55Å; L196-V262 HydrophobicContact CD1-CB 3.95Å; L196-V262 HydrophobicContact CD1-CG1 3.93Å; L196-V262 HydrophobicContact CG-CG1 4.36Å; M199-V262 HydrophobicContact CB-CG1 3.66Å; F200-V262 HydrophobicContact CB-CG1 3.95Å; F200-V262 HydrophobicContact CD2-CG2 3.93Å; I226-V262 HydrophobicContact CG2-CG2 3.8Å; K227-V262 CarbonylContact O-C 3.52Å; K227-V262 VanDerWaalsContact O-CA 3.31Å; K227-V262 WeakPolarHBondContact O-CA 3.42Å; C228-V262 HydrophobicContact CB-CB 4.44Å; C228-V262 HydrophobicContact CB-CG2 4.31Å
263K93.7Very high86.2Confident127 Ų12745.6 Ų45.655%0.55225%0.248SC*.EExtended strand (participates in β ladder)trans-134.1144.2174.2-68.8-167.8176.1-174.90110.4Y177 I226 K227Y177-K263 HydrophobicContact CE1-CB 4.29Å; Y177-K263 WeakPolarHBondContact OH-CB 3.22Å; I226-K263 WeakPolarHBondContact CA-O 3.44Å; K227-K263 PolarHBondContact N-O 3.37Å; K227-K263 PolarHBondContact O-N 3.02Å
264I95.1Very high87.6Confident2 Ų243.7 Ų43.71%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-103.4142.9171.3-68.4179.2000109.2F200 Q203 F204 M207 W224 L225 I226F200-I264 HydrophobicContact CD2-CD1 4.42Å; F200-I264 HydrophobicContact CE2-CD1 3.89Å; F200-I264 HydrophobicContact CE2-CG1 4.33Å; F200-I264 HydrophobicContact CZ-CD1 4.23Å; Q203-I264 HydrophobicContact CB-CB 4.07Å; Q203-I264 HydrophobicContact CB-CD1 3.81Å; Q203-I264 HydrophobicContact CB-CG1 3.79Å; F204-I264 HydrophobicContact CB-CD1 4.37Å; M207-I264 HydrophobicContact SD-CG2 4.19Å; W224-I264 HydrophobicContact CB-CG2 4.39Å; W224-I264 HydrophobicContact CE3-CD1 4.13Å; W224-I264 HydrophobicContact CE3-CG1 4.34Å; W224-I264 HydrophobicContact CE3-CG2 4.18Å; W224-I264 HydrophobicContact CZ3-CD1 4.09Å; W224-I264 HydrophobicContact CZ3-CG1 4.48Å; L225-I264 CarbonylContact O-C 3.47Å; L225-I264 VanDerWaalsContact O-CA 3.26Å; L225-I264 WeakPolarHBondContact O-CA 3.27Å; I226-I264 HydrophobicContact CG1-CG1 4.38Å
265A97Very high88.8Confident0 Ų041.3 Ų41.30%023%0.226CC..EExtended strand (participates in β ladder)trans-120.2120.8165.900000110.7I117 P119 M174 Y177 W224 L225 I267I117-A265 CarbonylContact O-C 3.59Å; I117-A265 WeakPolarHBondContact O-CA 3.47Å; P119-A265 HydrophobicContact CG-CB 4.12Å; M174-A265 HydrophobicContact CE-CB 4.37Å; M174-A265 HydrophobicContact CG-CB 4.15Å; Y177-A265 HydrophobicContact CD1-CB 3.73Å; Y177-A265 HydrophobicContact CE1-CB 3.56Å; W224-A265 CarbonylContact C-O 3.59Å; W224-A265 VanDerWaalsContact CA-O 3.32Å; W224-A265 WeakPolarHBondContact CA-O 3.25Å; L225-A265 HydrophobicContact CB-CB 4.28Å; L225-A265 PolarHBondContact N-O 2.95Å; L225-A265 PolarHBondContact O-N 3.21Å; A265-I267 PolarHBondContact O-N 3.26Å
266A97.2Very high89.9Confident0 Ų042.5 Ų42.50%023%0.23CC..EExtended strand (participates in β ladder)trans-88.5103177.900000110.4I117 V118 L210 N269I117-A266 HydrophobicContact CD1-CB 4.15Å; I117-A266 HydrophobicContact CG1-CB 4.35Å; I117-A266 PolarHBondContact O-N 3.29Å; V118-A266 HydrophobicContact CG2-CB 4.17Å; L210-A266 HydrophobicContact CD2-CB 3.88Å; A266-N269 PolarHBondContact O-ND2 2.85Å; A266-N269 VanDerWaalsContact O-ND2 3.09Å
267I95.4Very high90.9Very high35 Ų3539.8 Ų39.818%0.17922%0.216CC..  trans-104.9173.9-177.663.5163.3000111.1P119 R219 N223 L225 A265 N269P119-I267 HydrophobicContact CG-CG2 4.12Å; R219-I267 PolarHBondContact NH1-O 3.26Å; N223-I267 WeakPolarHBondContact O-CG1 3.48Å; N223-I267 PolarHBondContact O-N 3.39Å; L225-I267 HydrophobicContact CD1-CD1 4.01Å; L225-I267 HydrophobicContact CD1-CG2 3.98Å; L225-I267 HydrophobicContact CD2-CD1 3.73Å; L225-I267 HydrophobicContact CD2-CG1 4.48Å; L225-I267 HydrophobicContact CG-CD1 3.75Å; L225-I267 HydrophobicContact CG-CG1 4.12Å; L225-I267 HydrophobicContact CG-CG2 4.19Å; A265-I267 PolarHBondContact O-N 3.26Å; I267-N269 PolarHBondContact O-N 3.01Å
268D94Very high91.8Very high45 Ų4534.9 Ų34.924%0.24118%0.184CC..  trans5256173.8-157.430.9000114.4K62 E103 N223 G270K62-D268 IonicContact NZ-OD1 3.02Å; K62-D268 PolarHBondContact NZ-OD1 3.29Å; E103-D268 WeakPolarHBondContact OE1-CA 3.25Å; N223-D268 HydrophobicContact CB-CB 4.27Å; N223-D268 PolarHBondContact ND2-OD2 3.4Å; D268-G270 VanDerWaalsContact C-N 3.27Å; D268-G270 PolarHBondContact O-N 3.01Å
269N96.3Very high92.2Very high0 Ų034.2 Ų34.20%018%0.175CC..  trans-89.611-179-52.8-77.8000112.6S102 E103 A106 R219 A266 I267 L271 A272S102-N269 PolarHBondContact OG-O 3.46Å; S102-N269 VanDerWaalsContact OG-O 3.08Å; E103-N269 VanDerWaalsContact CD-N 3.26Å; E103-N269 PolarHBondContact OE1-N 2.97Å; E103-N269 WeakPolarHBondContact OE2-CA 3.34Å; E103-N269 WeakPolarHBondContact OE2-CB 3.45Å; E103-N269 PolarHBondContact OE2-N 3.21Å; A106-N269 HydrophobicContact CB-CB 3.39Å; R219-N269 PolarHBondContact NH2-OD1 3.08Å; A266-N269 PolarHBondContact O-ND2 2.85Å; A266-N269 VanDerWaalsContact O-ND2 3.09Å; I267-N269 PolarHBondContact O-N 3.01Å; N269-L271 PolarHBondContact O-N 2.7Å; N269-A272 PolarHBondContact O-N 2.89Å
270G94.2Very high92Very high12 Ų1241.8 Ų41.812%0.12421%0.209CC..THydrogen-bonded Turntrans-64.8-9.4-172.300000116.1G99 E103 D268G99-G270 VanDerWaalsContact CA-O 3.29Å; G99-G270 WeakPolarHBondContact CA-O 3.47Å; G99-G270 WeakPolarHBondContact O-CA 3.25Å; E103-G270 VanDerWaalsContact CD-N 3.27Å; E103-G270 PolarHBondContact OE1-N 3.02Å; E103-G270 VanDerWaalsContact OE1-N 3.17Å; D268-G270 VanDerWaalsContact C-N 3.27Å; D268-G270 PolarHBondContact O-N 3.01Å
271L93.7Very high90.9Very high47 Ų4743.1 Ų43.125%0.24621%0.207CC..THydrogen-bonded Turntrans-11948.1-179.9-59.9176.6000111.6R91 L94 T217 D218 N269R91-L271 VanDerWaalsContact NH1-CB 3.26Å; L94-L271 HydrophobicContact CD1-CB 3.88Å; L94-L271 HydrophobicContact CD1-CD2 3.73Å; L94-L271 HydrophobicContact CD1-CG 4.42Å; T217-L271 PolarHBondContact N-O 3.21Å; T217-L271 PolarHBondContact OG1-O 2.84Å; D218-L271 HydrophobicContact CB-CB 4.06Å; D218-L271 HydrophobicContact CB-CD1 3.96Å; D218-L271 WeakPolarHBondContact OD2-CD1 3.13Å; N269-L271 PolarHBondContact O-N 2.7Å
272A96.3Very high90.1Very high4 Ų443.1 Ų43.13%0.03320%0.199CC..  trans-117.5-178.7172.700000112.2L94 S102 I214 N216 N269L94-A272 WeakPolarHBondContact CD2-O 3.41Å; S102-A272 VanDerWaalsContact OG-C 3.26Å; S102-A272 WeakPolarHBondContact OG-CA 3.35Å; S102-A272 WeakPolarHBondContact OG-CB 3.41Å; S102-A272 PolarHBondContact OG-N 2.86Å; S102-A272 PolarHBondContact OG-O 3.12Å; I214-A272 HydrophobicContact CB-CB 4.03Å; I214-A272 HydrophobicContact CD1-CB 3.62Å; I214-A272 HydrophobicContact CG1-CB 3.67Å; N216-A272 HydrophobicContact CB-CB 4.42Å; N269-A272 PolarHBondContact O-N 2.89Å
273F97.4Very high89.4Confident5 Ų545.6 Ų45.62%0.02222%0.22CC..  trans59.860.3-178.5-55.1-86.5000114S102 V109 I214 L323 Y327 Q341 L345S102-F273 WeakPolarHBondContact O-CE2 3.43Å; S102-F273 WeakPolarHBondContact OG-CD2 3.47Å; V109-F273 HydrophobicContact CG2-CE1 4.15Å; V109-F273 HydrophobicContact CG2-CZ 4Å; I214-F273 HydrophobicContact CB-CD1 4.44Å; I214-F273 HydrophobicContact CB-CD2 4.46Å; I214-F273 HydrophobicContact CB-CE1 4.01Å; I214-F273 HydrophobicContact CB-CE2 4.02Å; I214-F273 HydrophobicContact CB-CZ 3.79Å; I214-F273 HydrophobicContact CG2-CE1 3.83Å; I214-F273 HydrophobicContact CG2-CE2 4.08Å; I214-F273 HydrophobicContact CG2-CZ 3.45Å; I214-F273 VanDerWaalsContact CG2-CZ 3.45Å; I214-F273 WeakPolarHBondContact O-CA 3.46Å; I214-F273 PolarHBondContact O-N 2.79Å; F273-L323 HydrophobicContact CE1-CD1 3.98Å; F273-L323 HydrophobicContact CE1-CD2 4.18Å; F273-L323 HydrophobicContact CZ-CD2 4.23Å; F273-Y327 WeakPolarHBondContact CD2-OH 3.49Å; F273-Y327 WeakPolarHBondContact CG-OH 3.42Å; F273-Q341 WeakPolarHBondContact O-CG 3.34Å; F273-Q341 PolarHBondContact O-NE2 3.05Å; F273-L345 HydrophobicContact CD1-CD1 4.27Å; F273-L345 HydrophobicContact CE1-CD1 3.93Å
274P96.2Very high89.1Confident1 Ų141.3 Ų41.31%0.00620%0.2CC..  trans-72.7146.9175.933.6-36.1000112.4C93 L94 R215 K276 V344C93-P274 HydrophobicContact CB-CB 3.99Å; C93-P274 CarbonylContact O-C 3.55Å; C93-P274 WeakPolarHBondContact O-CA 3.38Å; C93-P274 WeakPolarHBondContact O-CB 3.48Å; L94-P274 HydrophobicContact CD2-CB 3.8Å; R215-P274 HydrophobicContact CB-CG 3.86Å; R215-P274 HydrophobicContact CG-CG 3.64Å; P274-K276 VanDerWaalsContact C-N 3.27Å; P274-K276 WeakPolarHBondContact CB-O 3.43Å; P274-K276 PolarHBondContact O-N 3.44Å; P274-V344 HydrophobicContact CG-CG1 4.29Å; P274-V344 WeakPolarHBondContact O-CG2 3.5Å
275F93.7Very high88.9Confident59 Ų5944.9 Ų44.926%0.25922%0.224SC..SBendtrans-79.8-11.6177.563.8-99.2000113.1G92 C93 T337 S340 Q341 R372G92-F275 WeakPolarHBondContact O-CZ 3.48Å; C93-F275 WeakPolarHBondContact O-CD1 3.46Å; C93-F275 WeakPolarHBondContact O-CE1 3.46Å; C93-F275 PolarHBondContact O-N 2.79Å; F275-T337 HydrophobicContact CB-CG2 4.02Å; F275-T337 HydrophobicContact CD1-CG2 4.3Å; F275-T337 HydrophobicContact CG-CG2 4.35Å; F275-S340 WeakPolarHBondContact O-CB 3.38Å; F275-Q341 HydrophobicContact CB-CG 3.86Å; F275-R372 PolarHBondContact O-NH2 2.98Å
276K93.8Very high88.7Confident53 Ų5345.6 Ų45.623%0.2323%0.227CC..SBendtrans-147.2156.6171.163.4171.3-171.6155.90109.7C93 P274 D279C93-K276 HydrophobicContact CB-CG 3.86Å; C93-K276 WeakPolarHBondContact CB-O 3.38Å; P274-K276 VanDerWaalsContact C-N 3.27Å; P274-K276 WeakPolarHBondContact CB-O 3.43Å; P274-K276 PolarHBondContact O-N 3.44Å; K276-D279 IonicContact NZ-OD1 2.67Å; K276-D279 PolarHBondContact NZ-OD1 3.4Å; K276-D279 IonicContact NZ-OD2 2.71Å; K276-D279 PolarHBondContact NZ-OD2 2.87Å
277H93.6Very high88.5Confident6 Ų649.1 Ų49.13%0.02824%0.243CC..PPolyproline II helixtrans-61.1146.6168.2-71.5-66.4000110.4Q348 P370 I371H277-Q348 PolarHBondContact CE1-NE2 2.73Å; H277-P370 HydrophobicContact CB-CB 4.15Å; H277-I371 PolarHBondContact NE2-O 3.29Å
278P88.5Confident88.4Confident20 Ų2047.4 Ų47.413%0.1323%0.234CC..PPolyproline II helixtrans-56.3146176.8-23.834.4000112.4R282 Y284P278-R282 WeakPolarHBondContact CB-O 3.39Å; P278-Y284 HydrophobicContact CB-CD2 3.68Å; P278-Y284 HydrophobicContact CB-CE2 4.18Å; P278-Y284 HydrophobicContact CG-CD2 3.7Å
279D80.9Confident88.4Confident60 Ų6046 Ų4632%0.32123%0.229SC..PPolyproline II helixtrans-74.2148.2174.3-54.2-48000109.1K276 W281 R282K276-D279 IonicContact NZ-OD1 2.67Å; K276-D279 PolarHBondContact NZ-OD1 3.4Å; K276-D279 IonicContact NZ-OD2 2.71Å; K276-D279 PolarHBondContact NZ-OD2 2.87Å; D279-W281 VanDerWaalsContact CB-NE1 3.29Å; D279-W281 PolarHBondContact O-N 2.92Å; D279-R282 CarbonylContact O-C 3.58Å; D279-R282 PolarHBondContact O-N 2.68Å; D279-R282 VanDerWaalsContact O-O 3.13Å
280Q72.3Confident88Confident166 Ų16652.7 Ų52.778%0.77627%0.265SS*.G310 helixtrans-55.2-33-170.9-73.8-177.8-17.200114.7R282Q280-R282 PolarHBondContact O-N 3.47Å
281W61.2Low87.8Confident179 Ų17953 Ų5368%0.67826%0.263SS*.G310 helixtrans-71.4-11.4178.764.5-81.2000113.8D279D279-W281 VanDerWaalsContact CB-NE1 3.29Å; D279-W281 PolarHBondContact O-N 2.92Å
282R70.4Confident87.7Confident77 Ų7755.1 Ų55.129%0.29127%0.268SS..G310 helixtrans-139.379.5169.9-75.8-173-176.41724.8109.8C88 G90 P278 D279 Q280 Y284C88-R282 VanDerWaalsContact O-CZ 3.29Å; C88-R282 PolarHBondContact O-NH1 3Å; C88-R282 PolarHBondContact O-NH2 3.35Å; G90-R282 PolarHBondContact O-NH1 3.4Å; G90-R282 VanDerWaalsContact O-NH1 3.08Å; P278-R282 WeakPolarHBondContact CB-O 3.39Å; D279-R282 CarbonylContact O-C 3.58Å; D279-R282 PolarHBondContact O-N 2.68Å; D279-R282 VanDerWaalsContact O-O 3.13Å; Q280-R282 PolarHBondContact O-N 3.47Å; R282-Y284 HydrophobicContact CB-CE1 4.37Å; R282-Y284 HydrophobicContact CB-CE2 4.1Å; R282-Y284 VanDerWaalsContact CD-OH 3.27Å; R282-Y284 WeakPolarHBondContact CD-OH 3.46Å; R282-Y284 WeakPolarHBondContact O-CD2 3.38Å; R282-Y284 PolarHBondContact O-N 3.05Å
283A75.9Confident87.4Confident59 Ų5955.3 Ų55.349%0.48827%0.268SS..  trans-71-22.4-170.400000115.4R215R215-A283 PolarHBondContact NH2-O 3.26Å
284Y87.7Confident87.3Confident37 Ų3755 Ų5515%0.14527%0.267CS..  trans42.969.7-173.2-53.6-58.4000111.9R91 R215 T217 P278 R282R91-Y284 WeakPolarHBondContact CA-OH 3.26Å; R91-Y284 HydrophobicContact CB-CE2 4.21Å; R91-Y284 HydrophobicContact CG-CE1 3.81Å; R91-Y284 HydrophobicContact CG-CE2 4.15Å; R215-Y284 PolarHBondContact NH1-O 3.17Å; R215-Y284 PolarHBondContact NH2-O 3.44Å; T217-Y284 HydrophobicContact CG2-CD2 4.27Å; T217-Y284 HydrophobicContact CG2-CG 4.46Å; P278-Y284 HydrophobicContact CB-CD2 3.68Å; P278-Y284 HydrophobicContact CB-CE2 4.18Å; P278-Y284 HydrophobicContact CG-CD2 3.7Å; R282-Y284 HydrophobicContact CB-CE1 4.37Å; R282-Y284 HydrophobicContact CB-CE2 4.1Å; R282-Y284 VanDerWaalsContact CD-OH 3.27Å; R282-Y284 WeakPolarHBondContact CD-OH 3.46Å; R282-Y284 WeakPolarHBondContact O-CD2 3.38Å; R282-Y284 PolarHBondContact O-N 3.05Å
285P91.3Very high87.3Confident78 Ų7860.6 Ų60.651%0.50629%0.293SS..  trans-66.5160.7-174.330.8-36000111.4
286Y94Very high87.4Confident14 Ų1460.8 Ų60.86%0.05530%0.298CS..  trans-83.3109.6166.4-59.6-76.9000108.1D211 Y212 R215 N216 W288 A289 V366D211-Y286 HydrophobicContact CB-CD1 4.2Å; D211-Y286 HydrophobicContact CB-CE1 4.04Å; D211-Y286 WeakPolarHBondContact O-CE1 3.41Å; D211-Y286 PolarHBondContact O-OH 2.93Å; Y212-Y286 WeakPolarHBondContact CA-OH 3.5Å; Y212-Y286 HydrophobicContact CD2-CE2 4.19Å; R215-Y286 WeakPolarHBondContact CD-OH 3.38Å; N216-Y286 WeakPolarHBondContact O-CE1 3.45Å; Y286-W288 AromaticContact CD1-CE2 3.94Å; Y286-W288 HydrophobicContact CD1-CH2 4.47Å; Y286-W288 AromaticContact CD1-CZ2 3.6Å; Y286-W288 HydrophobicContact CD1-CZ2 3.6Å; Y286-W288 HydrophobicContact CD2-CH2 4.3Å; Y286-W288 HydrophobicContact CD2-CZ2 4.21Å; Y286-W288 HydrophobicContact CE1-CZ2 4.25Å; Y286-W288 AromaticContact CG-CE2 3.94Å; Y286-W288 HydrophobicContact CG-CH2 4.03Å; Y286-W288 AromaticContact CG-CZ2 3.55Å; Y286-W288 HydrophobicContact CG-CZ2 3.55Å; Y286-W288 PolarHBondContact O-N 3.37Å; Y286-W288 VanDerWaalsContact O-N 3.16Å; Y286-A289 WeakPolarHBondContact O-CB 3.22Å; Y286-A289 PolarHBondContact O-N 3.09Å; Y286-V366 HydrophobicContact CD2-CB 4.24Å; Y286-V366 HydrophobicContact CD2-CG1 3.52Å; Y286-V366 HydrophobicContact CE2-CG1 3.87Å; Y286-V366 HydrophobicContact CG-CG1 4.42Å
287H92.2Very high87.6Confident74 Ų7461.6 Ų61.634%0.34331%0.309SS..G310 helixtrans-63.7-25-174.9-71.7-92.2000113.1R219 H221 A289R219-H287 VanDerWaalsContact O-CB 3.3Å; R219-H287 WeakPolarHBondContact O-CB 3.35Å; R219-H287 PolarHBondContact O-CD2 3.31Å; R219-H287 VanDerWaalsContact O-CD2 3.25Å; R219-H287 PolarHBondContact O-N 2.87Å; H221-H287 PolarHBondContact CE1-O 2.83Å; H287-A289 PolarHBondContact O-N 3.08Å
288W93Very high87.9Confident0 Ų061.6 Ų61.60%031%0.309CS..G310 helixtrans-68.7-13.1173.252.5-111.4000114.3F204 M207 V208 D211 Y286 D290 L291 A294 P362 V366F204-W288 HydrophobicContact CE2-CB 3.73Å; F204-W288 HydrophobicContact CE2-CG 4.4Å; F204-W288 HydrophobicContact CZ-CB 4.04Å; F204-W288 HydrophobicContact CZ-CE3 4.15Å; M207-W288 HydrophobicContact CE-CB 4.16Å; M207-W288 HydrophobicContact CE-CG 4.16Å; V208-W288 HydrophobicContact CB-CH2 4.21Å; V208-W288 HydrophobicContact CB-CZ2 4.28Å; V208-W288 HydrophobicContact CB-CZ3 4.46Å; V208-W288 HydrophobicContact CG1-CH2 3.68Å; V208-W288 HydrophobicContact CG1-CZ2 4.14Å; V208-W288 HydrophobicContact CG1-CZ3 4.04Å; V208-W288 HydrophobicContact CG2-CD2 3.98Å; V208-W288 HydrophobicContact CG2-CE3 3.75Å; V208-W288 HydrophobicContact CG2-CH2 3.99Å; V208-W288 HydrophobicContact CG2-CZ2 4.13Å; V208-W288 HydrophobicContact CG2-CZ3 3.78Å; D211-W288 HydrophobicContact CB-CZ2 4.26Å; D211-W288 PolarHBondContact OD2-NE1 3.25Å; Y286-W288 AromaticContact CD1-CE2 3.94Å; Y286-W288 HydrophobicContact CD1-CH2 4.47Å; Y286-W288 AromaticContact CD1-CZ2 3.6Å; Y286-W288 HydrophobicContact CD1-CZ2 3.6Å; Y286-W288 HydrophobicContact CD2-CH2 4.3Å; Y286-W288 HydrophobicContact CD2-CZ2 4.21Å; Y286-W288 HydrophobicContact CE1-CZ2 4.25Å; Y286-W288 AromaticContact CG-CE2 3.94Å; Y286-W288 HydrophobicContact CG-CH2 4.03Å; Y286-W288 AromaticContact CG-CZ2 3.55Å; Y286-W288 HydrophobicContact CG-CZ2 3.55Å; Y286-W288 PolarHBondContact O-N 3.37Å; Y286-W288 VanDerWaalsContact O-N 3.16Å; W288-D290 PolarHBondContact O-N 3.42Å; W288-L291 HydrophobicContact CB-CD1 4.11Å; W288-L291 WeakPolarHBondContact O-CB 3.47Å; W288-L291 PolarHBondContact O-N 2.78Å; W288-L291 VanDerWaalsContact O-N 3.15Å; W288-A294 HydrophobicContact CE3-CB 4.45Å; W288-A294 WeakPolarHBondContact O-CB 3.43Å; W288-P362 HydrophobicContact CZ3-CB 3.83Å; W288-V366 HydrophobicContact CH2-CG1 3.61Å; W288-V366 HydrophobicContact CZ3-CG1 4Å
289A93.9Very high88.3Confident16 Ų1661.7 Ų61.713%0.13231%0.31CS..G310 helixtrans-66.6-21.9-178.100000113Y286 H287 A294 V366Y286-A289 WeakPolarHBondContact O-CB 3.22Å; Y286-A289 PolarHBondContact O-N 3.09Å; H287-A289 PolarHBondContact O-N 3.08Å; A289-A294 WeakPolarHBondContact O-CB 3.17Å; A289-V366 HydrophobicContact CB-CG2 4.16Å
290D88.8Confident89.2Confident139 Ų13961.2 Ų61.274%0.74331%0.312SS*.G310 helixtrans-87.4-6.1178.1-59.5-35.2000112.7W288W288-D290 PolarHBondContact O-N 3.42Å
291L90Very high90.4Very high19 Ų1957.1 Ų57.110%0.09929%0.292CS..SBendtrans-77.3146.4179.1-61.5-179.3000111.1L184 F204 W224 W288 F293 A294 H295L184-L291 HydrophobicContact CD1-CD2 4.02Å; L184-L291 HydrophobicContact CD2-CD1 4.13Å; L184-L291 HydrophobicContact CD2-CD2 3.49Å; L184-L291 VanDerWaalsContact CD2-CD2 3.49Å; L184-L291 HydrophobicContact CD2-CG 4.44Å; L184-L291 HydrophobicContact CG-CD2 4.42Å; F204-L291 HydrophobicContact CE2-CD1 4.02Å; W224-L291 HydrophobicContact CZ2-CD1 4.35Å; W288-L291 HydrophobicContact CB-CD1 4.11Å; W288-L291 WeakPolarHBondContact O-CB 3.47Å; W288-L291 PolarHBondContact O-N 2.78Å; W288-L291 VanDerWaalsContact O-N 3.15Å; L291-F293 HydrophobicContact CB-CD2 4.44Å; L291-F293 PolarHBondContact O-N 3.46Å; L291-A294 VanDerWaalsContact O-CB 3.29Å; L291-A294 WeakPolarHBondContact O-CB 3.36Å; L291-A294 PolarHBondContact O-N 3.07Å; L291-H295 PolarHBondContact O-CD2 3.24Å
292R90.1Very high92.2Very high91 Ų9148.7 Ų48.734%0.34326%0.261SS..G310 helixtrans-51.2-34.2176.474.2-179.7-164-152.84.2113.5F187 E197 A294 H295F187-R292 PolarHBondContact O-NH1 3.04Å; F187-R292 VanDerWaalsContact O-NH1 3.09Å; E197-R292 IonicContact OE1-CZ 2.72Å; E197-R292 IonicContact OE1-NE 2.89Å; E197-R292 IonicContact OE1-NH2 2.77Å; E197-R292 PolarHBondContact OE1-NH2 2.87Å; R292-A294 VanDerWaalsContact C-N 3.25Å; R292-A294 PolarHBondContact O-N 3.31Å; R292-H295 PolarHBondContact O-N 3.06Å
293F91.4Very high93.5Very high8 Ų846.2 Ų46.24%0.03525%0.253CS..G310 helixtrans-66-24.5179-55.9-71.4000113.3W183 E197 F200 Q201 F204 L291 H295 V296W183-F293 AromaticContact NE1-CE2 3.87Å; W183-F293 AromaticContact NE1-CZ 3.75Å; E197-F293 HydrophobicContact CG-CE1 4.25Å; F200-F293 HydrophobicContact CD1-CD1 4.01Å; F200-F293 HydrophobicContact CD1-CD2 4.2Å; F200-F293 AromaticContact CD1-CE1 3.76Å; F200-F293 HydrophobicContact CD1-CE1 3.76Å; F200-F293 AromaticContact CD1-CE2 3.96Å; F200-F293 HydrophobicContact CD1-CE2 3.96Å; F200-F293 HydrophobicContact CD1-CG 4.22Å; F200-F293 AromaticContact CD1-CZ 3.72Å; F200-F293 HydrophobicContact CD1-CZ 3.72Å; F200-F293 HydrophobicContact CE1-CD1 4.17Å; F200-F293 AromaticContact CE1-CD2 3.55Å; F200-F293 HydrophobicContact CE1-CD2 3.55Å; F200-F293 HydrophobicContact CE1-CE1 4.1Å; F200-F293 AromaticContact CE1-CE2 3.47Å; F200-F293 HydrophobicContact CE1-CE2 3.47Å; F200-F293 VanDerWaalsContact CE1-CE2 3.47Å; F200-F293 AromaticContact CE1-CG 3.9Å; F200-F293 HydrophobicContact CE1-CG 3.9Å; F200-F293 AromaticContact CE1-CZ 3.75Å; F200-F293 HydrophobicContact CE1-CZ 3.75Å; F200-F293 HydrophobicContact CZ-CE2 4.38Å; Q201-F293 PolarHBondContact NE2-O 3.46Å; Q201-F293 VanDerWaalsContact OE1-CD1 3.24Å; F204-F293 HydrophobicContact CD1-CB 3.71Å; F204-F293 HydrophobicContact CD2-CB 4.3Å; F204-F293 HydrophobicContact CE1-CB 3.72Å; F204-F293 HydrophobicContact CE2-CB 4.29Å; F204-F293 HydrophobicContact CG-CB 4.01Å; F204-F293 HydrophobicContact CZ-CB 4.02Å; L291-F293 HydrophobicContact CB-CD2 4.44Å; L291-F293 PolarHBondContact O-N 3.46Å; F293-H295 PolarHBondContact O-N 2.99Å; F293-V296 PolarHBondContact O-N 2.98Å
294A95Very high94.6Very high0 Ų050.3 Ų50.30%026%0.262CS..G310 helixtrans-74.5-12.5173.700000113.5F204 W288 A289 L291 R292 T361 P362 A363F204-A294 HydrophobicContact CE1-CB 4.36Å; F204-A294 HydrophobicContact CZ-CB 4.15Å; W288-A294 HydrophobicContact CE3-CB 4.45Å; W288-A294 WeakPolarHBondContact O-CB 3.43Å; A289-A294 WeakPolarHBondContact O-CB 3.17Å; L291-A294 VanDerWaalsContact O-CB 3.29Å; L291-A294 WeakPolarHBondContact O-CB 3.36Å; L291-A294 PolarHBondContact O-N 3.07Å; R292-A294 VanDerWaalsContact C-N 3.25Å; R292-A294 PolarHBondContact O-N 3.31Å; A294-T361 WeakPolarHBondContact O-CB 3.34Å; A294-T361 PolarHBondContact O-OG1 3.27Å; A294-P362 HydrophobicContact CB-CB 4.05Å; A294-P362 VanDerWaalsContact O-CD 3.26Å; A294-P362 WeakPolarHBondContact O-CD 3.27Å; A294-A363 WeakPolarHBondContact O-CB 3.31Å; A294-A363 PolarHBondContact O-N 2.89Å
295H95.8Very high95.1Very high118 Ų11850.8 Ų50.855%0.54627%0.267SS..G310 helixtrans-98.74.3176.9-64.2-89.1000113.1L291 R292 F293 T361L291-H295 PolarHBondContact O-CD2 3.24Å; R292-H295 PolarHBondContact O-N 3.06Å; F293-H295 PolarHBondContact O-N 2.99Å; H295-T361 WeakPolarHBondContact O-CG2 3.48Å
296V95.9Very high95.4Very high62 Ų6247.1 Ų47.138%0.37624%0.243SC..SBendtrans-91.7132.8171.8-177.90000109F293 P362F293-V296 PolarHBondContact O-N 2.98Å; V296-P362 WeakPolarHBondContact O-CD 3.39Å
297P98.4Very high95.6Very high70 Ų7047.9 Ų47.946%0.45525%0.248SC..PPolyproline II helixtrans-57144.7173.4-27.836.7000111.9S299 T361P297-S299 PolarHBondContact O-N 2.91Å; P297-T361 HydrophobicContact CG-CG2 4.15Å
298F98.6Very high95.9Very high7 Ų748.4 Ų48.43%0.03126%0.258CS..PPolyproline II helixtrans-53.4131.1175.7-75.9-70.8000111.5E205 V208 V209 T302 I303 L352 L356 K360 P362 L365E205-F298 HydrophobicContact CB-CD1 4.25Å; E205-F298 HydrophobicContact CB-CE1 4.42Å; E205-F298 HydrophobicContact CG-CD1 3.94Å; E205-F298 HydrophobicContact CG-CE1 4.32Å; V208-F298 HydrophobicContact CB-CE1 4.5Å; V208-F298 HydrophobicContact CG1-CE1 3.93Å; V208-F298 HydrophobicContact CG1-CZ 3.73Å; V209-F298 HydrophobicContact CG2-CE1 4.44Å; F298-T302 HydrophobicContact CD1-CG2 4.03Å; F298-I303 HydrophobicContact CB-CD1 4.48Å; F298-I303 HydrophobicContact CB-CG1 4.27Å; F298-L352 HydrophobicContact CE2-CD1 4.39Å; F298-L352 HydrophobicContact CZ-CD1 4.24Å; F298-L356 HydrophobicContact CB-CD2 3.83Å; F298-L356 HydrophobicContact CD1-CD2 4.06Å; F298-L356 HydrophobicContact CD2-CD2 3.6Å; F298-L356 HydrophobicContact CE2-CD2 4.14Å; F298-L356 HydrophobicContact CG-CD2 3.56Å; F298-K360 WeakPolarHBondContact CD2-O 3.38Å; F298-K360 PolarHBondContact N-O 3.3Å; F298-K360 VanDerWaalsContact N-O 3.13Å; F298-P362 HydrophobicContact CE1-CG 4.02Å; F298-P362 HydrophobicContact CE2-CG 4.42Å; F298-P362 HydrophobicContact CZ-CB 4.43Å; F298-P362 HydrophobicContact CZ-CG 3.91Å; F298-L365 HydrophobicContact CE2-CD2 4.12Å; F298-L365 HydrophobicContact CZ-CD2 3.98Å
299S98.2Very high96.2Very high22 Ų2250.5 Ų50.515%0.15427%0.267CS..PPolyproline II helixtrans-61.5154.6177.567.20000112.9L202 E205 P297 E301 T302 I303L202-S299 VanDerWaalsContact CD2-OG 3.24Å; L202-S299 WeakPolarHBondContact CD2-OG 3.46Å; E205-S299 PolarHBondContact OE1-N 3.42Å; E205-S299 VanDerWaalsContact OE1-N 3.11Å; E205-S299 WeakPolarHBondContact OE2-CB 3.44Å; E205-S299 PolarHBondContact OE2-N 3.2Å; E205-S299 PolarHBondContact OE2-OG 3.03Å; P297-S299 PolarHBondContact O-N 2.91Å; S299-E301 WeakPolarHBondContact CB-OE2 3.35Å; S299-E301 PolarHBondContact O-N 3.15Å; S299-T302 PolarHBondContact O-N 3.49Å; S299-T302 WeakPolarHBondContact OG-CB 3.46Å; S299-T302 PolarHBondContact OG-N 2.9Å; S299-T302 VanDerWaalsContact OG-N 3.09Å; S299-T302 PolarHBondContact OG-OG1 3.45Å; S299-T302 VanDerWaalsContact OG-OG1 3.12Å; S299-I303 WeakPolarHBondContact O-CG1 3.47Å; S299-I303 PolarHBondContact O-N 2.85Å
300S98.4Very high96.3Very high50 Ų5049.8 Ų49.835%0.3526%0.261SS..Hα-helixtrans-57.2-41.3171.3-76.20000111.4T302 I303 E304S300-T302 VanDerWaalsContact C-N 3.31Å; S300-T302 PolarHBondContact O-N 2.79Å; S300-I303 PolarHBondContact O-N 3.42Å; S300-E304 WeakPolarHBondContact O-CB 3.32Å; S300-E304 WeakPolarHBondContact O-CG 3.43Å; S300-E304 PolarHBondContact O-N 3.43Å
301E98.3Very high96.7Very high79 Ų7945.2 Ų45.237%0.36924%0.24SC..Hα-helixtrans-57.9-42.2177.6-64.292.8144.200112K198 L202 S299 L305K198-E301 WeakPolarHBondContact CE-OE1 3.41Å; K198-E301 IonicContact NZ-OE1 3.57Å; K198-E301 PolarHBondContact NZ-OE1 2.7Å; L202-E301 HydrophobicContact CD2-CB 3.77Å; L202-E301 HydrophobicContact CD2-CG 4.32Å; S299-E301 WeakPolarHBondContact CB-OE2 3.35Å; S299-E301 PolarHBondContact O-N 3.15Å; E301-L305 WeakPolarHBondContact O-CB 3.42Å; E301-L305 PolarHBondContact O-N 3.33Å; E301-L305 VanDerWaalsContact O-N 3.12Å
302T98.4Very high96.9Very high3 Ų347.9 Ų47.92%0.01825%0.254CS..Hα-helixtrans-72.3-40.1177.1-690000112E205 V209 F298 S299 S300 L305 V306E205-T302 HydrophobicContact CB-CG2 4.14Å; E205-T302 WeakPolarHBondContact OE2-CB 3.29Å; E205-T302 PolarHBondContact OE2-OG1 3.12Å; V209-T302 HydrophobicContact CG2-CG2 4.24Å; F298-T302 HydrophobicContact CD1-CG2 4.03Å; S299-T302 PolarHBondContact O-N 3.49Å; S299-T302 WeakPolarHBondContact OG-CB 3.46Å; S299-T302 PolarHBondContact OG-N 2.9Å; S299-T302 VanDerWaalsContact OG-N 3.09Å; S299-T302 PolarHBondContact OG-OG1 3.45Å; S299-T302 VanDerWaalsContact OG-OG1 3.12Å; S300-T302 VanDerWaalsContact C-N 3.31Å; S300-T302 PolarHBondContact O-N 2.79Å; T302-L305 PolarHBondContact O-N 3.1Å; T302-V306 HydrophobicContact CG2-CG2 4.26Å; T302-V306 WeakPolarHBondContact O-CB 3.31Å; T302-V306 WeakPolarHBondContact O-CG2 3.32Å; T302-V306 PolarHBondContact O-N 3.29Å
303I98.7Very high97.1Very high25 Ų2544.1 Ų44.113%0.12824%0.241CC..Hα-helixtrans-61-47.8176.7-67.9165.9000110.2F298 S299 S300 L305 V306 L307 L356 R359F298-I303 HydrophobicContact CB-CD1 4.48Å; F298-I303 HydrophobicContact CB-CG1 4.27Å; S299-I303 WeakPolarHBondContact O-CG1 3.47Å; S299-I303 PolarHBondContact O-N 2.85Å; S300-I303 PolarHBondContact O-N 3.42Å; I303-L305 VanDerWaalsContact C-N 3.32Å; I303-L305 PolarHBondContact O-N 3.25Å; I303-V306 PolarHBondContact O-N 2.95Å; I303-L307 HydrophobicContact CG2-CB 4.19Å; I303-L307 HydrophobicContact CG2-CD2 3.96Å; I303-L307 WeakPolarHBondContact O-CB 3.4Å; I303-L307 PolarHBondContact O-N 3.12Å; I303-L356 HydrophobicContact CG1-CB 4.28Å; I303-L356 HydrophobicContact CG1-CD2 3.96Å; I303-R359 HydrophobicContact CD1-CG 3.93Å
304E98.4Very high97.2Very high144 Ų14449.8 Ų49.867%0.67327%0.266SS*.Hα-helixtrans-63-36.9178.7-73.2172.4-165.300112.4S300 P308S300-E304 WeakPolarHBondContact O-CB 3.32Å; S300-E304 WeakPolarHBondContact O-CG 3.43Å; S300-E304 PolarHBondContact O-N 3.43Å; E304-P308 VanDerWaalsContact O-CD 3.3Å; E304-P308 WeakPolarHBondContact O-CD 3.33Å; E304-P308 WeakPolarHBondContact O-CG 3.47Å
305L98.3Very high97.3Very high47 Ų4752.3 Ų52.325%0.24628%0.276CS..Hα-helixtrans-69.2-43.5177.4177.663.3000112.9L115 E301 T302 I303L115-L305 HydrophobicContact CD2-CD2 4.41Å; E301-L305 WeakPolarHBondContact O-CB 3.42Å; E301-L305 PolarHBondContact O-N 3.33Å; E301-L305 VanDerWaalsContact O-N 3.12Å; T302-L305 PolarHBondContact O-N 3.1Å; I303-L305 VanDerWaalsContact C-N 3.32Å; I303-L305 PolarHBondContact O-N 3.25Å
306V98.5Very high97.3Very high1 Ų146.7 Ų46.71%0.00625%0.25CS..Hα-helixtrans-101.8-46.2-164178.50000112.6L115 V209 T302 I303 K309 I310 L352 L356L115-V306 HydrophobicContact CD2-CG2 4.3Å; V209-V306 HydrophobicContact CG1-CG1 3.92Å; V209-V306 HydrophobicContact CG1-CG2 4.07Å; V209-V306 HydrophobicContact CG2-CG1 4.47Å; V209-V306 HydrophobicContact CG2-CG2 4.19Å; T302-V306 HydrophobicContact CG2-CG2 4.26Å; T302-V306 WeakPolarHBondContact O-CB 3.31Å; T302-V306 WeakPolarHBondContact O-CG2 3.32Å; T302-V306 PolarHBondContact O-N 3.29Å; I303-V306 PolarHBondContact O-N 2.95Å; V306-K309 WeakPolarHBondContact O-CB 3.38Å; V306-K309 PolarHBondContact O-N 3.46Å; V306-K309 VanDerWaalsContact O-N 3.08Å; V306-I310 HydrophobicContact CG1-CD1 3.84Å; V306-I310 HydrophobicContact CG1-CG1 4.04Å; V306-I310 HydrophobicContact CG1-CG2 4.08Å; V306-I310 PolarHBondContact O-N 3.36Å; V306-I310 VanDerWaalsContact O-N 3.1Å; V306-L352 HydrophobicContact CG1-CD2 4.35Å; V306-L356 HydrophobicContact CB-CD1 4.03Å; V306-L356 HydrophobicContact CG1-CD1 3.8Å
307L98.5Very high97.2Very high30 Ų3044.5 Ų44.516%0.15724%0.237CC..Hα-helixtrans-59-43.8-170.3-179.761.9000113.4I303 K309 S311 L356 K357I303-L307 HydrophobicContact CG2-CB 4.19Å; I303-L307 HydrophobicContact CG2-CD2 3.96Å; I303-L307 WeakPolarHBondContact O-CB 3.4Å; I303-L307 PolarHBondContact O-N 3.12Å; L307-K309 PolarHBondContact O-N 3.42Å; L307-S311 WeakPolarHBondContact O-CB 3.31Å; L307-S311 PolarHBondContact O-N 3.35Å; L307-S311 PolarHBondContact O-OG 2.86Å; L307-L356 HydrophobicContact CB-CB 4.47Å; L307-L356 HydrophobicContact CB-CD1 4.2Å; L307-L356 HydrophobicContact CD1-CB 4.29Å; L307-K357 HydrophobicContact CD1-CG 4.01Å; L307-K357 HydrophobicContact CD2-CG 3.84Å
308P98.1Very high97.1Very high85 Ų8544.6 Ų44.655%0.55224%0.236SC*.Hα-helixtrans-60-29.9178.3-25.236000113.5E304E304-P308 VanDerWaalsContact O-CD 3.3Å; E304-P308 WeakPolarHBondContact O-CD 3.33Å; E304-P308 WeakPolarHBondContact O-CG 3.47Å
309K98Very high97Very high45 Ų4544.4 Ų44.420%0.19624%0.235CC..Hα-helixtrans-78.6-57.7179.3-60.1-178.9-177.7-176.60111S112 L113 S114 V306 L307 S311 N312 F315S112-K309 PolarHBondContact O-NZ 3.33Å; L113-K309 HydrophobicContact CD2-CB 4.25Å; L113-K309 HydrophobicContact CD2-CD 4.24Å; L113-K309 PolarHBondContact O-NZ 3.2Å; S114-K309 PolarHBondContact OG-NZ 3.42Å; V306-K309 WeakPolarHBondContact O-CB 3.38Å; V306-K309 PolarHBondContact O-N 3.46Å; V306-K309 VanDerWaalsContact O-N 3.08Å; L307-K309 PolarHBondContact O-N 3.42Å; K309-S311 PolarHBondContact O-N 3.04Å; K309-N312 WeakPolarHBondContact O-CB 3.25Å; K309-N312 PolarHBondContact O-N 3.5Å; K309-F315 HydrophobicContact CB-CD1 3.88Å; K309-F315 HydrophobicContact CB-CD2 4.28Å; K309-F315 HydrophobicContact CB-CE1 3.76Å; K309-F315 HydrophobicContact CB-CE2 4.14Å; K309-F315 HydrophobicContact CB-CG 4.16Å; K309-F315 HydrophobicContact CB-CZ 3.89Å; K309-F315 HydrophobicContact CD-CE2 4.17Å; K309-F315 HydrophobicContact CD-CZ 4.01Å; K309-F315 HydrophobicContact CG-CE2 4.25Å; K309-F315 HydrophobicContact CG-CZ 4.3Å; K309-F315 WeakPolarHBondContact O-CB 3.4Å; K309-F315 WeakPolarHBondContact O-CD1 3.44Å
310I97.4Very high97Very high0 Ų043.8 Ų43.80%023%0.231CC..Hα-helixtrans-76.2-21.1-171.864.9165.7000113.7L113 I213 V306 N312 C349 L352 S353 L356 W388L113-I310 HydrophobicContact CD2-CG2 3.66Å; I213-I310 HydrophobicContact CD1-CG2 4.04Å; V306-I310 HydrophobicContact CG1-CD1 3.84Å; V306-I310 HydrophobicContact CG1-CG1 4.04Å; V306-I310 HydrophobicContact CG1-CG2 4.08Å; V306-I310 PolarHBondContact O-N 3.36Å; V306-I310 VanDerWaalsContact O-N 3.1Å; I310-N312 VanDerWaalsContact C-N 3.28Å; I310-C349 HydrophobicContact CB-CB 4.44Å; I310-L352 HydrophobicContact CD1-CB 3.88Å; I310-L352 HydrophobicContact CD1-CD2 3.62Å; I310-L352 HydrophobicContact CD1-CG 3.52Å; I310-S353 WeakPolarHBondContact CD1-OG 3.43Å; I310-S353 WeakPolarHBondContact CG1-OG 3.37Å; I310-L356 HydrophobicContact CD1-CD1 4Å; I310-W388 WeakPolarHBondContact O-CZ2 3.47Å
311S95.9Very high96.8Very high43 Ų4345.5 Ų45.530%0.30123%0.233SC..THydrogen-bonded Turntrans-75.9-20172.964.80000112.4L307 K309 I313 W388L307-S311 WeakPolarHBondContact O-CB 3.31Å; L307-S311 PolarHBondContact O-N 3.35Å; L307-S311 PolarHBondContact O-OG 2.86Å; K309-S311 PolarHBondContact O-N 3.04Å; S311-I313 PolarHBondContact O-N 3.45Å; S311-W388 PolarHBondContact O-NE1 3.04Å
312N95.2Very high96.7Very high75 Ų7543.2 Ų43.240%0.40122%0.223SC..  trans-85.1106173.7-178.2-1.7000110.5K309 I310 K314 F315 V316K309-N312 WeakPolarHBondContact O-CB 3.25Å; K309-N312 PolarHBondContact O-N 3.5Å; I310-N312 VanDerWaalsContact C-N 3.28Å; N312-K314 PolarHBondContact O-N 3.16Å; N312-K314 WeakPolarHBondContact OD1-CB 3.24Å; N312-K314 PolarHBondContact OD1-N 2.99Å; N312-F315 HydrophobicContact CB-CB 4.2Å; N312-F315 WeakPolarHBondContact O-CB 3.49Å; N312-F315 PolarHBondContact O-N 2.84Å; N312-F315 VanDerWaalsContact O-N 3.08Å; N312-V316 PolarHBondContact O-N 3.07Å
313I93.5Very high96.7Very high12 Ų1243.1 Ų43.16%0.06222%0.222CC..Hα-helixtrans-60.5-28.2179.2-171.354.7000113.4S311 F315 V316 N317 L386 W388 Y391S311-I313 PolarHBondContact O-N 3.45Å; I313-F315 VanDerWaalsContact C-N 3.35Å; I313-V316 HydrophobicContact CD1-CB 4.3Å; I313-V316 PolarHBondContact O-N 2.77Å; I313-N317 WeakPolarHBondContact O-CB 3.32Å; I313-N317 VanDerWaalsContact O-CG 3.22Å; I313-N317 PolarHBondContact O-N 2.81Å; I313-L386 WeakPolarHBondContact CG2-O 3.04Å; I313-W388 HydrophobicContact CB-CD2 4.19Å; I313-W388 HydrophobicContact CB-CG 4.33Å; I313-W388 HydrophobicContact CB-CZ2 4.4Å; I313-W388 HydrophobicContact CD1-CD2 3.97Å; I313-W388 HydrophobicContact CD1-CE3 3.8Å; I313-W388 HydrophobicContact CD1-CH2 3.87Å; I313-W388 HydrophobicContact CD1-CZ2 4Å; I313-W388 HydrophobicContact CD1-CZ3 3.75Å; I313-W388 HydrophobicContact CG1-CD2 4.32Å; I313-Y391 HydrophobicContact CD1-CD2 4.46Å; I313-Y391 HydrophobicContact CD1-CE2 3.76Å; I313-Y391 HydrophobicContact CG1-CE2 3.87Å
314K93.9Very high96.6Very high128 Ų12844.7 Ų44.756%0.55723%0.226SC*.Hα-helixtrans-64-43.4175.7-64.4-175.3175.3-176.10110.5N312 V316 N317 T318N312-K314 PolarHBondContact O-N 3.16Å; N312-K314 WeakPolarHBondContact OD1-CB 3.24Å; N312-K314 PolarHBondContact OD1-N 2.99Å; K314-V316 PolarHBondContact O-N 2.9Å; K314-N317 PolarHBondContact O-N 3.04Å; K314-T318 PolarHBondContact O-N 2.91Å; K314-T318 PolarHBondContact O-OG1 2.57Å; K314-T318 VanDerWaalsContact O-OG1 3.05Å
315F96.4Very high96.5Very high52 Ų5242.2 Ų42.223%0.22821%0.213CC..Hα-helixtrans-60.8-45.4174.7174.6-85.4000111.4S112 L113 K309 N312 I313 N317 T318 M319S112-F315 VanDerWaalsContact O-CZ 3.3Å; S112-F315 WeakPolarHBondContact O-CZ 3.5Å; L113-F315 HydrophobicContact CD2-CE1 3.87Å; L113-F315 HydrophobicContact CD2-CZ 4.11Å; K309-F315 HydrophobicContact CB-CD1 3.88Å; K309-F315 HydrophobicContact CB-CD2 4.28Å; K309-F315 HydrophobicContact CB-CE1 3.76Å; K309-F315 HydrophobicContact CB-CE2 4.14Å; K309-F315 HydrophobicContact CB-CG 4.16Å; K309-F315 HydrophobicContact CB-CZ 3.89Å; K309-F315 HydrophobicContact CD-CE2 4.17Å; K309-F315 HydrophobicContact CD-CZ 4.01Å; K309-F315 HydrophobicContact CG-CE2 4.25Å; K309-F315 HydrophobicContact CG-CZ 4.3Å; K309-F315 WeakPolarHBondContact O-CB 3.4Å; K309-F315 WeakPolarHBondContact O-CD1 3.44Å; N312-F315 HydrophobicContact CB-CB 4.2Å; N312-F315 WeakPolarHBondContact O-CB 3.49Å; N312-F315 PolarHBondContact O-N 2.84Å; N312-F315 VanDerWaalsContact O-N 3.08Å; I313-F315 VanDerWaalsContact C-N 3.35Å; F315-N317 VanDerWaalsContact C-N 3.35Å; F315-N317 PolarHBondContact O-N 3.35Å; F315-T318 PolarHBondContact O-N 2.99Å; F315-M319 PolarHBondContact O-N 2.94Å
316V96.9Very high96.3Very high0 Ų040.1 Ų40.10%020%0.203CC..Hα-helixtrans-63-41.4178179.10000111.3N312 I313 K314 M319 C320 L345 R346 C349 W388N312-V316 PolarHBondContact O-N 3.07Å; I313-V316 HydrophobicContact CD1-CB 4.3Å; I313-V316 PolarHBondContact O-N 2.77Å; K314-V316 PolarHBondContact O-N 2.9Å; V316-M319 PolarHBondContact O-N 3.17Å; V316-C320 PolarHBondContact O-N 3.49Å; V316-C320 PolarHBondContact O-SG 3.32Å; V316-L345 HydrophobicContact CG1-CD2 4.16Å; V316-R346 HydrophobicContact CG1-CG 3.9Å; V316-C349 HydrophobicContact CG2-CB 4.3Å; V316-W388 HydrophobicContact CG2-CH2 4.36Å; V316-W388 HydrophobicContact CG2-CZ2 4.3Å
317N94.2Very high96.2Very high16 Ų1640.2 Ų40.29%0.08620%0.203CC..Hα-helixtrans-64.7-44.7176.9-71.6-12.7000111.8I313 K314 F315 M319 C320 E321 Y391I313-N317 WeakPolarHBondContact O-CB 3.32Å; I313-N317 VanDerWaalsContact O-CG 3.22Å; I313-N317 PolarHBondContact O-N 2.81Å; K314-N317 PolarHBondContact O-N 3.04Å; F315-N317 VanDerWaalsContact C-N 3.35Å; F315-N317 PolarHBondContact O-N 3.35Å; N317-M319 VanDerWaalsContact C-N 3.3Å; N317-M319 PolarHBondContact O-N 2.64Å; N317-C320 CarbonylContact O-C 3.56Å; N317-C320 WeakPolarHBondContact O-CA 3.19Å; N317-C320 WeakPolarHBondContact O-CB 3.42Å; N317-C320 PolarHBondContact O-N 2.92Å; N317-C320 VanDerWaalsContact O-N 3.08Å; N317-E321 WeakPolarHBondContact O-CG 3.49Å; N317-E321 PolarHBondContact O-N 3.39Å; N317-Y391 PolarHBondContact OD1-OH 3.04Å
318T95.8Very high96Very high72 Ų7243.4 Ų43.444%0.44222%0.217SC..Hα-helixtrans-58.6-43174.4-59.40000111.3K314 F315 C320 E321 E322K314-T318 PolarHBondContact O-N 2.91Å; K314-T318 PolarHBondContact O-OG1 2.57Å; K314-T318 VanDerWaalsContact O-OG1 3.05Å; F315-T318 PolarHBondContact O-N 2.99Å; T318-C320 VanDerWaalsContact C-N 3.33Å; T318-C320 PolarHBondContact O-N 3Å; T318-E321 WeakPolarHBondContact O-CB 3.2Å; T318-E321 PolarHBondContact O-N 2.97Å; T318-E322 PolarHBondContact O-N 3.21Å
319M97.2Very high95.6Very high3 Ų341 Ų412%0.01520%0.199CC..Hα-helixtrans-62.1-39.9174.6-174.617962.300112.1L108 V109 I213 F315 V316 N317 E322 L323 L345L108-M319 HydrophobicContact CD2-CG 4.31Å; V109-M319 HydrophobicContact CB-SD 4.31Å; V109-M319 HydrophobicContact CG1-SD 4.07Å; V109-M319 HydrophobicContact CG2-CG 4.4Å; V109-M319 HydrophobicContact CG2-SD 3.93Å; I213-M319 HydrophobicContact CG2-CE 4.39Å; F315-M319 PolarHBondContact O-N 2.94Å; V316-M319 PolarHBondContact O-N 3.17Å; N317-M319 VanDerWaalsContact C-N 3.3Å; N317-M319 PolarHBondContact O-N 2.64Å; M319-E322 PolarHBondContact O-N 3.36Å; M319-L323 WeakPolarHBondContact O-CG 3.46Å; M319-L323 PolarHBondContact O-N 3.34Å; M319-L345 HydrophobicContact CE-CD1 4.34Å; M319-L345 HydrophobicContact CE-CD2 3.65Å
320C96.8Very high95.2Very high9 Ų939 Ų396%0.06119%0.191CC..Hα-helixtrans-64.3-36.3173.2-68.80000112.9V316 N317 T318 L323 R324 M342V316-C320 PolarHBondContact O-N 3.49Å; V316-C320 PolarHBondContact O-SG 3.32Å; N317-C320 CarbonylContact O-C 3.56Å; N317-C320 WeakPolarHBondContact O-CA 3.19Å; N317-C320 WeakPolarHBondContact O-CB 3.42Å; N317-C320 PolarHBondContact O-N 2.92Å; N317-C320 VanDerWaalsContact O-N 3.08Å; T318-C320 VanDerWaalsContact C-N 3.33Å; T318-C320 PolarHBondContact O-N 3Å; C320-L323 PolarHBondContact O-N 2.78Å; C320-R324 PolarHBondContact O-N 3.37Å; C320-M342 HydrophobicContact CB-CG 4.21Å; C320-M342 HydrophobicContact CB-SD 3.76Å; C320-M342 PolarHBondContact SG-SD 3.09Å
321E95.5Very high94.8Very high86 Ų8647.6 Ų47.640%0.40224%0.236SC..Hα-helixtrans-67.2-41.7176.5-73163.5-156.500111.7N317 T318 R324 K325N317-E321 WeakPolarHBondContact O-CG 3.49Å; N317-E321 PolarHBondContact O-N 3.39Å; T318-E321 WeakPolarHBondContact O-CB 3.2Å; T318-E321 PolarHBondContact O-N 2.97Å; E321-R324 VanDerWaalsContact O-CB 3.3Å; E321-R324 WeakPolarHBondContact O-CB 3.45Å; E321-R324 PolarHBondContact O-N 3.01Å; E321-R324 VanDerWaalsContact O-N 3.11Å; E321-K325 WeakPolarHBondContact O-CG 3.48Å; E321-K325 PolarHBondContact O-N 2.89Å
322E96.2Very high94.3Very high32 Ų3248.8 Ų48.815%0.1525%0.248CC..Hα-helixtrans-64.8-39.3173.9-66.4-54.1133.600111.9L108 T318 M319 R324 K325 L326L108-E322 HydrophobicContact CD1-CB 4Å; L108-E322 HydrophobicContact CD2-CB 4.02Å; L108-E322 HydrophobicContact CG-CB 4.45Å; T318-E322 PolarHBondContact O-N 3.21Å; M319-E322 PolarHBondContact O-N 3.36Å; E322-R324 VanDerWaalsContact C-N 3.29Å; E322-R324 PolarHBondContact O-N 3.29Å; E322-K325 PolarHBondContact O-N 2.86Å; E322-K325 IonicContact OE1-NZ 3.59Å; E322-K325 PolarHBondContact OE1-NZ 3.36Å; E322-K325 IonicContact OE2-NZ 3.94Å; E322-L326 PolarHBondContact O-N 2.86Å; E322-L326 VanDerWaalsContact O-N 3.15Å
323L97.5Very high94.1Very high0 Ų047.7 Ų47.70%024%0.24CC..Hα-helixtrans-62.8-34.9170.4-73.1167.8000112L108 V109 F273 M319 C320 L326 Y327 F338 M342 L345L108-L323 HydrophobicContact CD1-CD2 4.28Å; L108-L323 HydrophobicContact CD2-CD2 4.27Å; L108-L323 HydrophobicContact CD2-CG 4.17Å; V109-L323 HydrophobicContact CG2-CD1 4.23Å; F273-L323 HydrophobicContact CE1-CD1 3.98Å; F273-L323 HydrophobicContact CE1-CD2 4.18Å; F273-L323 HydrophobicContact CZ-CD2 4.23Å; M319-L323 WeakPolarHBondContact O-CG 3.46Å; M319-L323 PolarHBondContact O-N 3.34Å; C320-L323 PolarHBondContact O-N 2.78Å; L323-L326 WeakPolarHBondContact O-CB 3.49Å; L323-L326 PolarHBondContact O-N 2.86Å; L323-Y327 HydrophobicContact CD2-CE2 4.36Å; L323-Y327 WeakPolarHBondContact O-CB 3.29Å; L323-Y327 WeakPolarHBondContact O-CD2 3.36Å; L323-Y327 PolarHBondContact O-N 3Å; L323-F338 HydrophobicContact CB-CE2 4.34Å; L323-F338 HydrophobicContact CB-CZ 4.26Å; L323-M342 HydrophobicContact CB-CE 4.49Å; L323-M342 HydrophobicContact CB-SD 4.35Å; L323-M342 HydrophobicContact CD1-CE 4.03Å; L323-M342 HydrophobicContact CD1-SD 3.98Å; L323-L345 HydrophobicContact CD1-CD1 3.84Å
324R96.9Very high94.1Very high58 Ų5850.9 Ų50.922%0.21926%0.257CS..Hα-helixtrans-63.1-50177-164.5-170.1-148.1104.95.7110.7C320 E321 E322 L326 Y327 E328 D335 F338 E339C320-R324 PolarHBondContact O-N 3.37Å; E321-R324 VanDerWaalsContact O-CB 3.3Å; E321-R324 WeakPolarHBondContact O-CB 3.45Å; E321-R324 PolarHBondContact O-N 3.01Å; E321-R324 VanDerWaalsContact O-N 3.11Å; E322-R324 VanDerWaalsContact C-N 3.29Å; E322-R324 PolarHBondContact O-N 3.29Å; R324-L326 PolarHBondContact O-N 2.87Å; R324-Y327 PolarHBondContact O-N 2.89Å; R324-E328 VanDerWaalsContact CD-OE1 3.27Å; R324-E328 WeakPolarHBondContact CD-OE1 3.49Å; R324-E328 HydrophobicContact CG-CG 4.17Å; R324-E328 WeakPolarHBondContact CG-OE1 3.13Å; R324-E328 IonicContact NE-OE1 3.28Å; R324-E328 PolarHBondContact NE-OE1 3.47Å; R324-E328 WeakPolarHBondContact O-CB 3.34Å; R324-E328 WeakPolarHBondContact O-CG 3.23Å; R324-E328 PolarHBondContact O-N 2.99Å; R324-D335 IonicContact CZ-OD1 3.69Å; R324-D335 IonicContact NH2-OD1 2.62Å; R324-D335 PolarHBondContact NH2-OD1 3.08Å; R324-D335 IonicContact NH2-OD2 3.87Å; R324-F338 HydrophobicContact CB-CE1 3.67Å; R324-F338 HydrophobicContact CB-CE2 4.44Å; R324-F338 HydrophobicContact CB-CZ 3.57Å; R324-F338 HydrophobicContact CG-CD1 4.22Å; R324-F338 HydrophobicContact CG-CE1 3.7Å; R324-F338 HydrophobicContact CG-CZ 4.03Å; R324-E339 IonicContact CZ-OE1 3.72Å; R324-E339 IonicContact NH1-OE1 3.64Å; R324-E339 PolarHBondContact NH1-OE1 2.72Å; R324-E339 IonicContact NH2-OE1 3.77Å; R324-E339 PolarHBondContact NH2-OE1 2.99Å
325K95.5Very high94.1Very high92 Ų9248.5 Ų48.540%0.425%0.25SS..Hα-helixtrans-54.9-40.7176.4-65.7171.8-171.8169.70111.7V6 E321 E322V6-K325 HydrophobicContact CG2-CB 4.36Å; E321-K325 WeakPolarHBondContact O-CG 3.48Å; E321-K325 PolarHBondContact O-N 2.89Å; E322-K325 PolarHBondContact O-N 2.86Å; E322-K325 IonicContact OE1-NZ 3.59Å; E322-K325 PolarHBondContact OE1-NZ 3.36Å; E322-K325 IonicContact OE2-NZ 3.94Å
326L95.3Very high94Very high4 Ų451 Ų512%0.02127%0.27CS..Hα-helixtrans-65.2-46.3174.7171.664.7000112.2L101 V104 L108 V123 E322 L323 R324 I329L101-L326 HydrophobicContact CD2-CD1 3.96Å; L101-L326 HydrophobicContact CD2-CG 4.11Å; V104-L326 HydrophobicContact CB-CD1 4.09Å; V104-L326 HydrophobicContact CB-CD2 3.99Å; V104-L326 HydrophobicContact CG1-CD1 3.63Å; V104-L326 HydrophobicContact CG1-CD2 3.82Å; V104-L326 HydrophobicContact CG1-CG 4.4Å; L108-L326 HydrophobicContact CD1-CD2 4.44Å; V123-L326 HydrophobicContact CG2-CD1 3.77Å; E322-L326 PolarHBondContact O-N 2.86Å; E322-L326 VanDerWaalsContact O-N 3.15Å; L323-L326 WeakPolarHBondContact O-CB 3.49Å; L323-L326 PolarHBondContact O-N 2.86Å; R324-L326 PolarHBondContact O-N 2.87Å; L326-I329 HydrophobicContact CD1-CD1 4.24Å; L326-I329 WeakPolarHBondContact O-CD1 3.17Å; L326-I329 WeakPolarHBondContact O-CG1 3.3Å; L326-I329 WeakPolarHBondContact O-CG2 3.48Å
327Y95.1Very high93.8Very high2 Ų253 Ų531%0.00828%0.282CS..Hα-helixtrans-76.5-27.9-173.2-83.9-125.4000112.9L101 F273 L323 R324 I329 D330 F333 F338L101-Y327 HydrophobicContact CB-CD2 4.25Å; L101-Y327 HydrophobicContact CB-CE1 4.41Å; L101-Y327 HydrophobicContact CB-CE2 3.95Å; L101-Y327 HydrophobicContact CD1-CD1 4.3Å; L101-Y327 HydrophobicContact CD1-CG 4.29Å; F273-Y327 WeakPolarHBondContact CD2-OH 3.49Å; F273-Y327 WeakPolarHBondContact CG-OH 3.42Å; L323-Y327 HydrophobicContact CD2-CE2 4.36Å; L323-Y327 WeakPolarHBondContact O-CB 3.29Å; L323-Y327 WeakPolarHBondContact O-CD2 3.36Å; L323-Y327 PolarHBondContact O-N 3Å; R324-Y327 PolarHBondContact O-N 2.89Å; Y327-I329 PolarHBondContact O-N 2.95Å; Y327-D330 WeakPolarHBondContact O-CB 3.33Å; Y327-D330 PolarHBondContact O-N 3.39Å; Y327-F333 WeakPolarHBondContact O-CD2 3.36Å; Y327-F338 AromaticContact CD1-CD2 3.88Å; Y327-F338 HydrophobicContact CD1-CD2 3.88Å; Y327-F338 HydrophobicContact CD1-CE2 4.2Å; Y327-F338 HydrophobicContact CD2-CE2 4.37Å; Y327-F338 AromaticContact CG-CD2 3.96Å; Y327-F338 HydrophobicContact CG-CD2 3.96Å; Y327-F338 AromaticContact CG-CE2 3.91Å; Y327-F338 HydrophobicContact CG-CE2 3.91Å
328E94.4Very high93.9Very high98 Ų9852.3 Ų52.346%0.45828%0.278SS..THydrogen-bonded Turntrans-67-14.4177-78.1177.2175.500113.6R324 D330 F333R324-E328 VanDerWaalsContact CD-OE1 3.27Å; R324-E328 WeakPolarHBondContact CD-OE1 3.49Å; R324-E328 HydrophobicContact CG-CG 4.17Å; R324-E328 WeakPolarHBondContact CG-OE1 3.13Å; R324-E328 IonicContact NE-OE1 3.28Å; R324-E328 PolarHBondContact NE-OE1 3.47Å; R324-E328 WeakPolarHBondContact O-CB 3.34Å; R324-E328 WeakPolarHBondContact O-CG 3.23Å; R324-E328 PolarHBondContact O-N 2.99Å; E328-D330 PolarHBondContact O-N 3.26Å; E328-F333 HydrophobicContact CG-CD1 4.04Å; E328-F333 HydrophobicContact CG-CD2 4.31Å; E328-F333 HydrophobicContact CG-CE1 3.77Å; E328-F333 HydrophobicContact CG-CE2 4.05Å; E328-F333 HydrophobicContact CG-CG 4.29Å; E328-F333 HydrophobicContact CG-CZ 3.78Å
329I90.6Very high93.9Very high33 Ų3350.9 Ų50.917%0.16927%0.266CS..THydrogen-bonded Turntrans-67-20.5173.180.1-172.8000112.2V6 F8 Y100 L101 V123 L326 Y327V6-I329 HydrophobicContact CG1-CG2 4.21Å; F8-I329 HydrophobicContact CB-CG2 4.48Å; Y100-I329 HydrophobicContact CE2-CD1 4.29Å; L101-I329 HydrophobicContact CD2-CD1 3.73Å; L101-I329 HydrophobicContact CD2-CG1 3.98Å; V123-I329 HydrophobicContact CB-CD1 4.16Å; V123-I329 HydrophobicContact CG1-CD1 3.9Å; V123-I329 HydrophobicContact CG2-CD1 3.66Å; L326-I329 HydrophobicContact CD1-CD1 4.24Å; L326-I329 WeakPolarHBondContact O-CD1 3.17Å; L326-I329 WeakPolarHBondContact O-CG1 3.3Å; L326-I329 WeakPolarHBondContact O-CG2 3.48Å; Y327-I329 PolarHBondContact O-N 2.95Å
330D89.2Confident93.8Very high5 Ų552 Ų523%0.02728%0.275CS..SBendtrans-83125.2-176.8-156.6-70.3000111.1K64 Y100 L101 Y327 E328 A332 F333K64-D330 VanDerWaalsContact CE-OD2 3.24Å; K64-D330 WeakPolarHBondContact CE-OD2 3.48Å; K64-D330 IonicContact NZ-OD1 3.67Å; K64-D330 PolarHBondContact NZ-OD1 2.81Å; K64-D330 IonicContact NZ-OD2 2.79Å; K64-D330 PolarHBondContact NZ-OD2 3.33Å; Y100-D330 VanDerWaalsContact CE1-OD2 3.28Å; Y100-D330 WeakPolarHBondContact CE1-OD2 3.32Å; Y100-D330 PolarHBondContact OH-OD2 3.23Å; L101-D330 HydrophobicContact CD1-CB 3.88Å; Y327-D330 WeakPolarHBondContact O-CB 3.33Å; Y327-D330 PolarHBondContact O-N 3.39Å; E328-D330 PolarHBondContact O-N 3.26Å; D330-A332 PolarHBondContact O-N 3.38Å; D330-A332 WeakPolarHBondContact OD1-CB 3.27Å; D330-A332 PolarHBondContact OD1-N 3.13Å; D330-F333 WeakPolarHBondContact O-CB 3.39Å; D330-F333 PolarHBondContact O-N 2.75Å
331L88.1Confident93.8Very high180 Ų18051.8 Ų51.894%0.94227%0.273SS*.THydrogen-bonded Turntrans-59.5-21.6176.8-63.1175.9000113.7F333L331-F333 VanDerWaalsContact C-N 3.35Å
332A86.7Confident93.9Very high68 Ų6847.7 Ų47.756%0.56225%0.254SS*.THydrogen-bonded Turntrans-94.614.9175.800000113D330 N334D330-A332 PolarHBondContact O-N 3.38Å; D330-A332 WeakPolarHBondContact OD1-CB 3.27Å; D330-A332 PolarHBondContact OD1-N 3.13Å; A332-N334 PolarHBondContact O-N 2.98Å
333F91.5Very high93.9Very high52 Ų5246.2 Ų46.223%0.22825%0.247CC..  trans-55.4132.6177.2178.2-102.7000111.3Y327 E328 D330 L331 D335 F338Y327-F333 WeakPolarHBondContact O-CD2 3.36Å; E328-F333 HydrophobicContact CG-CD1 4.04Å; E328-F333 HydrophobicContact CG-CD2 4.31Å; E328-F333 HydrophobicContact CG-CE1 3.77Å; E328-F333 HydrophobicContact CG-CE2 4.05Å; E328-F333 HydrophobicContact CG-CG 4.29Å; E328-F333 HydrophobicContact CG-CZ 3.78Å; D330-F333 WeakPolarHBondContact O-CB 3.39Å; D330-F333 PolarHBondContact O-N 2.75Å; L331-F333 VanDerWaalsContact C-N 3.35Å; F333-D335 HydrophobicContact CE1-CB 4.25Å; F333-F338 HydrophobicContact CE2-CB 3.61Å; F333-F338 HydrophobicContact CE2-CD1 4.42Å; F333-F338 AromaticContact CE2-CD2 3.87Å; F333-F338 HydrophobicContact CE2-CD2 3.87Å; F333-F338 AromaticContact CE2-CG 3.7Å; F333-F338 HydrophobicContact CE2-CG 3.7Å; F333-F338 HydrophobicContact CZ-CB 3.84Å; F333-F338 HydrophobicContact CZ-CD1 4.33Å; F333-F338 AromaticContact CZ-CG 3.99Å; F333-F338 HydrophobicContact CZ-CG 3.99Å
334N92.5Very high93.9Very high79 Ų7946.3 Ų46.342%0.42225%0.248SC..  trans-128.6114.1176.6-176.6-75.7000109.3A332 T336 T337 F338A332-N334 PolarHBondContact O-N 2.98Å; N334-T336 VanDerWaalsContact C-N 3.34Å; N334-T336 PolarHBondContact O-N 3.2Å; N334-T336 WeakPolarHBondContact OD1-CB 3.17Å; N334-T336 PolarHBondContact OD1-N 3.02Å; N334-T336 VanDerWaalsContact OD1-N 3.16Å; N334-T337 PolarHBondContact O-N 3.07Å; N334-T337 PolarHBondContact OD1-N 2.75Å; N334-T337 PolarHBondContact OD1-OG1 2.88Å; N334-F338 PolarHBondContact O-N 2.85Å
335D93.9Very high94Very high78 Ų7843.7 Ų43.742%0.41724%0.238SC..Hα-helixtrans-56.6-44.7-176-167.174.3000112.8R324 F333 T337 F338 E339R324-D335 IonicContact CZ-OD1 3.69Å; R324-D335 IonicContact NH2-OD1 2.62Å; R324-D335 PolarHBondContact NH2-OD1 3.08Å; R324-D335 IonicContact NH2-OD2 3.87Å; F333-D335 HydrophobicContact CE1-CB 4.25Å; D335-T337 PolarHBondContact O-N 2.77Å; D335-F338 PolarHBondContact O-N 2.86Å; D335-E339 PolarHBondContact O-N 2.81Å
336T94.1Very high94.1Very high103 Ų10339.5 Ų39.563%0.63222%0.219SC*.Hα-helixtrans-63.6-42.3179.4-55.50000112.3N334 S340N334-T336 VanDerWaalsContact C-N 3.34Å; N334-T336 PolarHBondContact O-N 3.2Å; N334-T336 WeakPolarHBondContact OD1-CB 3.17Å; N334-T336 PolarHBondContact OD1-N 3.02Å; N334-T336 VanDerWaalsContact OD1-N 3.16Å; T336-S340 WeakPolarHBondContact O-CB 3.39Å; T336-S340 PolarHBondContact O-N 3.07Å; T336-S340 VanDerWaalsContact O-N 3.11Å; T336-S340 PolarHBondContact O-OG 2.76Å
337T93.2Very high94.2Very high42 Ų4239.3 Ų39.326%0.25822%0.218SC..Hα-helixtrans-65.2-44.1174.9-58.20000110.5P95 F275 N334 D335 S340 Q341P95-T337 HydrophobicContact CB-CG2 4.29Å; F275-T337 HydrophobicContact CB-CG2 4.02Å; F275-T337 HydrophobicContact CD1-CG2 4.3Å; F275-T337 HydrophobicContact CG-CG2 4.35Å; N334-T337 PolarHBondContact O-N 3.07Å; N334-T337 PolarHBondContact OD1-N 2.75Å; N334-T337 PolarHBondContact OD1-OG1 2.88Å; D335-T337 PolarHBondContact O-N 2.77Å; T337-S340 WeakPolarHBondContact O-CA 3.46Å; T337-S340 VanDerWaalsContact O-CB 3.31Å; T337-S340 WeakPolarHBondContact O-CB 3.37Å; T337-S340 PolarHBondContact O-N 3.27Å; T337-S340 VanDerWaalsContact O-N 3.15Å; T337-Q341 WeakPolarHBondContact O-CG 3.46Å; T337-Q341 PolarHBondContact O-N 2.86Å
338F95.9Very high94.3Very high2 Ų239.4 Ų39.41%0.00922%0.219CC..Hα-helixtrans-61.1-48.7178.4-179.5-96.4000112.2L323 R324 Y327 F333 N334 D335 S340 Q341 M342L323-F338 HydrophobicContact CB-CE2 4.34Å; L323-F338 HydrophobicContact CB-CZ 4.26Å; R324-F338 HydrophobicContact CB-CE1 3.67Å; R324-F338 HydrophobicContact CB-CE2 4.44Å; R324-F338 HydrophobicContact CB-CZ 3.57Å; R324-F338 HydrophobicContact CG-CD1 4.22Å; R324-F338 HydrophobicContact CG-CE1 3.7Å; R324-F338 HydrophobicContact CG-CZ 4.03Å; Y327-F338 AromaticContact CD1-CD2 3.88Å; Y327-F338 HydrophobicContact CD1-CD2 3.88Å; Y327-F338 HydrophobicContact CD1-CE2 4.2Å; Y327-F338 HydrophobicContact CD2-CE2 4.37Å; Y327-F338 AromaticContact CG-CD2 3.96Å; Y327-F338 HydrophobicContact CG-CD2 3.96Å; Y327-F338 AromaticContact CG-CE2 3.91Å; Y327-F338 HydrophobicContact CG-CE2 3.91Å; F333-F338 HydrophobicContact CE2-CB 3.61Å; F333-F338 HydrophobicContact CE2-CD1 4.42Å; F333-F338 AromaticContact CE2-CD2 3.87Å; F333-F338 HydrophobicContact CE2-CD2 3.87Å; F333-F338 AromaticContact CE2-CG 3.7Å; F333-F338 HydrophobicContact CE2-CG 3.7Å; F333-F338 HydrophobicContact CZ-CB 3.84Å; F333-F338 HydrophobicContact CZ-CD1 4.33Å; F333-F338 AromaticContact CZ-CG 3.99Å; F333-F338 HydrophobicContact CZ-CG 3.99Å; N334-F338 PolarHBondContact O-N 2.85Å; D335-F338 PolarHBondContact O-N 2.86Å; F338-S340 PolarHBondContact O-N 2.82Å; F338-Q341 WeakPolarHBondContact O-CB 3.18Å; F338-Q341 PolarHBondContact O-N 3.26Å; F338-M342 HydrophobicContact CD1-CG 4.07Å; F338-M342 HydrophobicContact CE1-CG 3.52Å; F338-M342 HydrophobicContact CE1-SD 4.33Å; F338-M342 HydrophobicContact CE2-CE 3.92Å; F338-M342 HydrophobicContact CE2-CG 4.2Å; F338-M342 HydrophobicContact CE2-SD 4.26Å; F338-M342 HydrophobicContact CZ-CE 4.09Å; F338-M342 HydrophobicContact CZ-CG 3.58Å; F338-M342 HydrophobicContact CZ-SD 3.79Å; F338-M342 WeakPolarHBondContact O-CG 3.37Å; F338-M342 PolarHBondContact O-N 2.88Å
339E95.3Very high94.4Very high42 Ų4234.8 Ų34.820%0.19620%0.197CC..Hα-helixtrans-61.4-31.8176-73.7-60.9159.200112.1R324 D335 M342 A343 R346R324-E339 IonicContact CZ-OE1 3.72Å; R324-E339 IonicContact NH1-OE1 3.64Å; R324-E339 PolarHBondContact NH1-OE1 2.72Å; R324-E339 IonicContact NH2-OE1 3.77Å; R324-E339 PolarHBondContact NH2-OE1 2.99Å; D335-E339 PolarHBondContact O-N 2.81Å; E339-M342 PolarHBondContact O-N 3.03Å; E339-A343 WeakPolarHBondContact O-CB 3.28Å; E339-A343 PolarHBondContact O-N 2.92Å; E339-R346 IonicContact OE2-NH2 2.73Å; E339-R346 PolarHBondContact OE2-NH2 3.19Å
340S95.7Very high94.7Very high27 Ų2737 Ų3719%0.18920%0.204CC..Hα-helixtrans-68-39.8173-68.30000112.9F275 T336 T337 F338 A343 V344 R372F275-S340 WeakPolarHBondContact O-CB 3.38Å; T336-S340 WeakPolarHBondContact O-CB 3.39Å; T336-S340 PolarHBondContact O-N 3.07Å; T336-S340 VanDerWaalsContact O-N 3.11Å; T336-S340 PolarHBondContact O-OG 2.76Å; T337-S340 WeakPolarHBondContact O-CA 3.46Å; T337-S340 VanDerWaalsContact O-CB 3.31Å; T337-S340 WeakPolarHBondContact O-CB 3.37Å; T337-S340 PolarHBondContact O-N 3.27Å; T337-S340 VanDerWaalsContact O-N 3.15Å; F338-S340 PolarHBondContact O-N 2.82Å; S340-A343 PolarHBondContact O-N 2.81Å; S340-V344 PolarHBondContact O-N 2.86Å; S340-R372 VanDerWaalsContact CB-NH2 3.33Å; S340-R372 PolarHBondContact OG-NH2 2.9Å
341Q97.2Very high95.1Very high4 Ų437.4 Ų37.42%0.01921%0.206CC..Hα-helixtrans-62.1-47.5172-66172-76.100110.7F273 F275 T337 F338 A343 V344 L345F273-Q341 WeakPolarHBondContact O-CG 3.34Å; F273-Q341 PolarHBondContact O-NE2 3.05Å; F275-Q341 HydrophobicContact CB-CG 3.86Å; T337-Q341 WeakPolarHBondContact O-CG 3.46Å; T337-Q341 PolarHBondContact O-N 2.86Å; F338-Q341 WeakPolarHBondContact O-CB 3.18Å; F338-Q341 PolarHBondContact O-N 3.26Å; Q341-A343 VanDerWaalsContact C-N 3.25Å; Q341-A343 PolarHBondContact O-N 3.35Å; Q341-V344 WeakPolarHBondContact O-CB 3.24Å; Q341-V344 PolarHBondContact O-N 2.79Å; Q341-L345 PolarHBondContact O-N 3.07Å
342M97.3Very high95.6Very high1 Ų128.9 Ų28.91%0.00516%0.161CC..Hα-helixtrans-65.6-30.6179.5-64-56101.500112.1C320 L323 F338 E339 V344 L345 R346C320-M342 HydrophobicContact CB-CG 4.21Å; C320-M342 HydrophobicContact CB-SD 3.76Å; C320-M342 PolarHBondContact SG-SD 3.09Å; L323-M342 HydrophobicContact CB-CE 4.49Å; L323-M342 HydrophobicContact CB-SD 4.35Å; L323-M342 HydrophobicContact CD1-CE 4.03Å; L323-M342 HydrophobicContact CD1-SD 3.98Å; F338-M342 HydrophobicContact CD1-CG 4.07Å; F338-M342 HydrophobicContact CE1-CG 3.52Å; F338-M342 HydrophobicContact CE1-SD 4.33Å; F338-M342 HydrophobicContact CE2-CE 3.92Å; F338-M342 HydrophobicContact CE2-CG 4.2Å; F338-M342 HydrophobicContact CE2-SD 4.26Å; F338-M342 HydrophobicContact CZ-CE 4.09Å; F338-M342 HydrophobicContact CZ-CG 3.58Å; F338-M342 HydrophobicContact CZ-SD 3.79Å; F338-M342 WeakPolarHBondContact O-CG 3.37Å; F338-M342 PolarHBondContact O-N 2.88Å; E339-M342 PolarHBondContact O-N 3.03Å; M342-V344 VanDerWaalsContact C-N 3.35Å; M342-L345 PolarHBondContact O-N 3.11Å; M342-R346 WeakPolarHBondContact O-CB 3.25Å; M342-R346 WeakPolarHBondContact O-CG 3.26Å; M342-R346 PolarHBondContact O-N 3.46Å; M342-R346 PolarHBondContact O-NE 2.59Å
343A96.8Very high96.2Very high1 Ų126 Ų261%0.00814%0.137CC..Hα-helixtrans-65.6-35.7172.300000113.1E339 S340 Q341 G347 R372 L373 L374E339-A343 WeakPolarHBondContact O-CB 3.28Å; E339-A343 PolarHBondContact O-N 2.92Å; S340-A343 PolarHBondContact O-N 2.81Å; Q341-A343 VanDerWaalsContact C-N 3.25Å; Q341-A343 PolarHBondContact O-N 3.35Å; A343-G347 PolarHBondContact O-N 3.26Å; A343-R372 HydrophobicContact CB-CB 4.46Å; A343-R372 WeakPolarHBondContact O-CA 3.49Å; A343-L373 VanDerWaalsContact CA-O 3.31Å; A343-L373 WeakPolarHBondContact CA-O 3.22Å; A343-L373 WeakPolarHBondContact CB-O 3.44Å; A343-L373 PolarHBondContact O-N 2.82Å; A343-L374 HydrophobicContact CB-CD2 3.69Å
344V97.4Very high96.4Very high2 Ų225 Ų251%0.01214%0.138CC..Hα-helixtrans-66.6-51.5171.7173.70000109.9R215 P274 S340 Q341 M342 R346 G347 Q348 R372R215-V344 HydrophobicContact CB-CG1 4.37Å; P274-V344 HydrophobicContact CG-CG1 4.29Å; P274-V344 WeakPolarHBondContact O-CG2 3.5Å; S340-V344 PolarHBondContact O-N 2.86Å; Q341-V344 WeakPolarHBondContact O-CB 3.24Å; Q341-V344 PolarHBondContact O-N 2.79Å; M342-V344 VanDerWaalsContact C-N 3.35Å; V344-R346 VanDerWaalsContact C-N 3.34Å; V344-R346 PolarHBondContact O-N 3.04Å; V344-G347 CarbonylContact O-C 3.48Å; V344-G347 WeakPolarHBondContact O-CA 3.22Å; V344-G347 PolarHBondContact O-N 3.24Å; V344-Q348 HydrophobicContact CG1-CG 4.38Å; V344-Q348 WeakPolarHBondContact O-CG 3.16Å; V344-Q348 PolarHBondContact O-N 2.75Å; V344-R372 HydrophobicContact CG2-CG 3.98Å
345L97.9Very high96.7Very high3 Ų321.2 Ų21.22%0.01612%0.118CC..Hα-helixtrans-54.7-47.9179.7-177.2151.2000111.8I213 F273 V316 M319 L323 Q341 M342 G347 Q348 C349I213-L345 HydrophobicContact CG2-CD1 4.26Å; I213-L345 HydrophobicContact CG2-CD2 4.5Å; I213-L345 HydrophobicContact CG2-CG 4.06Å; F273-L345 HydrophobicContact CD1-CD1 4.27Å; F273-L345 HydrophobicContact CE1-CD1 3.93Å; V316-L345 HydrophobicContact CG1-CD2 4.16Å; M319-L345 HydrophobicContact CE-CD1 4.34Å; M319-L345 HydrophobicContact CE-CD2 3.65Å; L323-L345 HydrophobicContact CD1-CD1 3.84Å; Q341-L345 PolarHBondContact O-N 3.07Å; M342-L345 PolarHBondContact O-N 3.11Å; L345-G347 VanDerWaalsContact C-N 3.29Å; L345-G347 PolarHBondContact O-N 3.5Å; L345-Q348 WeakPolarHBondContact O-CB 3.32Å; L345-Q348 PolarHBondContact O-N 2.64Å; L345-Q348 VanDerWaalsContact O-N 3.09Å; L345-C349 PolarHBondContact O-N 3.23Å
346R97.6Very high96.9Very high3 Ų317.6 Ų17.61%0.01110%0.099CC..Hα-helixtrans-59.4-41.1176.7-77.1-178.1-75-98.14.1111.9V316 E339 M342 V344 Q348 C349 W350 L373 W388 Y391V316-R346 HydrophobicContact CG1-CG 3.9Å; E339-R346 IonicContact OE2-NH2 2.73Å; E339-R346 PolarHBondContact OE2-NH2 3.19Å; M342-R346 WeakPolarHBondContact O-CB 3.25Å; M342-R346 WeakPolarHBondContact O-CG 3.26Å; M342-R346 PolarHBondContact O-N 3.46Å; M342-R346 PolarHBondContact O-NE 2.59Å; V344-R346 VanDerWaalsContact C-N 3.34Å; V344-R346 PolarHBondContact O-N 3.04Å; R346-Q348 VanDerWaalsContact C-N 3.33Å; R346-C349 PolarHBondContact O-N 3.15Å; R346-W350 PolarHBondContact O-N 3.11Å; R346-L373 HydrophobicContact CB-CB 3.87Å; R346-L373 HydrophobicContact CB-CD1 4.29Å; R346-L373 PolarHBondContact NE-O 3.33Å; R346-W388 HydrophobicContact CB-CZ3 4.48Å; R346-Y391 VanDerWaalsContact NE-CE1 3.33Å
347G96.9Very high97.1Very high0 Ų019.5 Ų19.50%010%0.098CC..Hα-helixtrans-62.4-38.3174.600000113.1A343 V344 L345 W350 N351 I371A343-G347 PolarHBondContact O-N 3.26Å; V344-G347 CarbonylContact O-C 3.48Å; V344-G347 WeakPolarHBondContact O-CA 3.22Å; V344-G347 PolarHBondContact O-N 3.24Å; L345-G347 VanDerWaalsContact C-N 3.29Å; L345-G347 PolarHBondContact O-N 3.5Å; G347-W350 WeakPolarHBondContact O-CB 3.32Å; G347-W350 PolarHBondContact O-N 2.86Å; G347-N351 PolarHBondContact O-N 2.91Å; G347-I371 WeakPolarHBondContact CA-O 3.29Å
348Q97.8Very high97.3Very high5 Ų523.2 Ų23.22%0.02311%0.113CC..Hα-helixtrans-66.4-45.7173.8-61.5-66.330.600112Y212 R215 H277 V344 L345 R346 W350 N351 L352Y212-Q348 HydrophobicContact CD1-CB 3.98Å; Y212-Q348 HydrophobicContact CE1-CB 4Å; Y212-Q348 WeakPolarHBondContact CE1-O 3.48Å; Y212-Q348 WeakPolarHBondContact O-CB 3.43Å; Y212-Q348 VanDerWaalsContact O-CG 3.22Å; Y212-Q348 WeakPolarHBondContact O-CG 3.37Å; Y212-Q348 PolarHBondContact OH-OE1 3.2Å; R215-Q348 HydrophobicContact CB-CG 4.37Å; H277-Q348 PolarHBondContact CE1-NE2 2.73Å; V344-Q348 HydrophobicContact CG1-CG 4.38Å; V344-Q348 WeakPolarHBondContact O-CG 3.16Å; V344-Q348 PolarHBondContact O-N 2.75Å; L345-Q348 WeakPolarHBondContact O-CB 3.32Å; L345-Q348 PolarHBondContact O-N 2.64Å; L345-Q348 VanDerWaalsContact O-N 3.09Å; R346-Q348 VanDerWaalsContact C-N 3.33Å; Q348-W350 PolarHBondContact O-N 3.23Å; Q348-N351 PolarHBondContact O-N 3.46Å; Q348-L352 VanDerWaalsContact O-CB 3.32Å; Q348-L352 WeakPolarHBondContact O-CB 3.42Å; Q348-L352 PolarHBondContact O-N 2.96Å
349C97.9Very high97.4Very high0 Ų030.9 Ų30.90%014%0.142CC..Hα-helixtrans-57.8-38.7174.4-69.40000111.9I310 V316 L345 R346 S353 W388I310-C349 HydrophobicContact CB-CB 4.44Å; V316-C349 HydrophobicContact CG2-CB 4.3Å; L345-C349 PolarHBondContact O-N 3.23Å; R346-C349 PolarHBondContact O-N 3.15Å; C349-S353 VanDerWaalsContact O-CB 3.32Å; C349-S353 WeakPolarHBondContact O-CB 3.47Å; C349-S353 PolarHBondContact O-N 3.48Å; C349-S353 PolarHBondContact O-OG 2.92Å; C349-W388 HydrophobicContact CB-CH2 4.21Å
350W96.6Very high97.6Very high81 Ų8131 Ų3131%0.30714%0.141SC..Hα-helixtrans-63.3-52176.5177.4-79.5000112.2R346 G347 Q348 L352 S353 A354 L373 W388R346-W350 PolarHBondContact O-N 3.11Å; G347-W350 WeakPolarHBondContact O-CB 3.32Å; G347-W350 PolarHBondContact O-N 2.86Å; Q348-W350 PolarHBondContact O-N 3.23Å; W350-L352 PolarHBondContact O-N 3.18Å; W350-S353 WeakPolarHBondContact O-CB 3.47Å; W350-S353 PolarHBondContact O-N 3Å; W350-A354 PolarHBondContact O-N 3.19Å; W350-A354 VanDerWaalsContact O-N 3.09Å; W350-L373 HydrophobicContact CB-CD1 3.78Å; W350-L373 HydrophobicContact CD2-CD1 4.47Å; W350-L373 HydrophobicContact CE3-CD1 4.38Å; W350-L373 HydrophobicContact CG-CD1 4.24Å; W350-W388 HydrophobicContact CB-CZ3 4.32Å; W350-W388 HydrophobicContact CE3-CB 4.25Å; W350-W388 AromaticContact CE3-CD2 3.64Å; W350-W388 HydrophobicContact CE3-CD2 3.64Å; W350-W388 AromaticContact CE3-CE3 3.58Å; W350-W388 HydrophobicContact CE3-CE3 3.58Å; W350-W388 AromaticContact CE3-CG 3.97Å; W350-W388 HydrophobicContact CE3-CG 3.97Å; W350-W388 HydrophobicContact CE3-CZ3 4.14Å; W350-W388 HydrophobicContact CZ3-CB 3.59Å; W350-W388 AromaticContact CZ3-CD2 3.85Å; W350-W388 HydrophobicContact CZ3-CD2 3.85Å; W350-W388 HydrophobicContact CZ3-CE3 4.14Å; W350-W388 AromaticContact CZ3-CG 3.64Å; W350-W388 HydrophobicContact CZ3-CG 3.64Å
351N97.4Very high97.7Very high13 Ų1330.5 Ų30.57%0.0714%0.137CC..Hα-helixtrans-62.2-43.5179.9-81.8-3.5000111.7Y212 G347 Q348 S353 A354 A355 L365 T369 I371Y212-N351 HydrophobicContact CE1-CB 3.97Å; Y212-N351 VanDerWaalsContact OH-CB 3.27Å; Y212-N351 WeakPolarHBondContact OH-CB 3.37Å; Y212-N351 PolarHBondContact OH-ND2 3.49Å; G347-N351 PolarHBondContact O-N 2.91Å; Q348-N351 PolarHBondContact O-N 3.46Å; N351-S353 VanDerWaalsContact C-N 3.34Å; N351-S353 PolarHBondContact O-N 3.16Å; N351-A354 PolarHBondContact O-N 2.91Å; N351-A355 PolarHBondContact O-N 3.09Å; N351-L365 HydrophobicContact CB-CD1 4.45Å; N351-T369 PolarHBondContact ND2-O 3.21Å; N351-I371 WeakPolarHBondContact OD1-CD1 3.26Å
352L98.4Very high97.8Very high0 Ų030.3 Ų30.30%014%0.136CC..Hα-helixtrans-61.8-42.1176-18061.1000111.4V209 Y212 I213 F298 V306 I310 Q348 W350 A354 A355 L356 L365V209-L352 HydrophobicContact CB-CD2 4.47Å; V209-L352 HydrophobicContact CG1-CD2 4.02Å; V209-L352 HydrophobicContact CG2-CD2 4.3Å; Y212-L352 HydrophobicContact CD1-CB 3.99Å; Y212-L352 HydrophobicContact CE1-CB 4.16Å; I213-L352 HydrophobicContact CD1-CD2 3.79Å; I213-L352 HydrophobicContact CG1-CD2 3.8Å; F298-L352 HydrophobicContact CE2-CD1 4.39Å; F298-L352 HydrophobicContact CZ-CD1 4.24Å; V306-L352 HydrophobicContact CG1-CD2 4.35Å; I310-L352 HydrophobicContact CD1-CB 3.88Å; I310-L352 HydrophobicContact CD1-CD2 3.62Å; I310-L352 HydrophobicContact CD1-CG 3.52Å; Q348-L352 VanDerWaalsContact O-CB 3.32Å; Q348-L352 WeakPolarHBondContact O-CB 3.42Å; Q348-L352 PolarHBondContact O-N 2.96Å; W350-L352 PolarHBondContact O-N 3.18Å; L352-A354 VanDerWaalsContact C-N 3.31Å; L352-A354 PolarHBondContact O-N 2.69Å; L352-A355 PolarHBondContact O-N 3.11Å; L352-L356 HydrophobicContact CD1-CD1 4.19Å; L352-L356 HydrophobicContact CD1-CD2 4.34Å; L352-L356 HydrophobicContact CD1-CG 4.01Å; L352-L356 HydrophobicContact CG-CD1 4.07Å; L352-L356 HydrophobicContact CG-CG 4.31Å; L352-L356 VanDerWaalsContact O-CG 3.29Å; L352-L356 WeakPolarHBondContact O-CG 3.32Å; L352-L356 PolarHBondContact O-N 3.21Å; L352-L365 HydrophobicContact CB-CD1 4.42Å; L352-L365 HydrophobicContact CD1-CD1 4.43Å; L352-L365 HydrophobicContact CD1-CD2 3.56Å
353S98.1Very high97.8Very high7 Ų731.2 Ų31.25%0.04914%0.144CC..Hα-helixtrans-59-42175.8-64.10000112.3I310 C349 W350 N351 K357I310-S353 WeakPolarHBondContact CD1-OG 3.43Å; I310-S353 WeakPolarHBondContact CG1-OG 3.37Å; C349-S353 VanDerWaalsContact O-CB 3.32Å; C349-S353 WeakPolarHBondContact O-CB 3.47Å; C349-S353 PolarHBondContact O-N 3.48Å; C349-S353 PolarHBondContact O-OG 2.92Å; W350-S353 WeakPolarHBondContact O-CB 3.47Å; W350-S353 PolarHBondContact O-N 3Å; N351-S353 VanDerWaalsContact C-N 3.34Å; N351-S353 PolarHBondContact O-N 3.16Å; S353-K357 VanDerWaalsContact O-CG 3.26Å; S353-K357 WeakPolarHBondContact O-CG 3.48Å; S353-K357 PolarHBondContact O-N 3.34Å
354A97.3Very high97.8Very high31 Ų3135.9 Ų35.926%0.25617%0.167SC..Hα-helixtrans-66.2-45176.600000111.4W350 N351 L352 L356 K357 E358W350-A354 PolarHBondContact O-N 3.19Å; W350-A354 VanDerWaalsContact O-N 3.09Å; N351-A354 PolarHBondContact O-N 2.91Å; L352-A354 VanDerWaalsContact C-N 3.31Å; L352-A354 PolarHBondContact O-N 2.69Å; A354-L356 PolarHBondContact O-N 2.68Å; A354-K357 PolarHBondContact O-N 2.93Å; A354-E358 PolarHBondContact O-N 2.94Å
355A98.4Very high97.8Very high1 Ų135.8 Ų35.81%0.00817%0.166CC..Hα-helixtrans-61.9-41.4178.600000113.3N351 L352 E358 R359 K360 L365N351-A355 PolarHBondContact O-N 3.09Å; L352-A355 PolarHBondContact O-N 3.11Å; A355-E358 CarbonylContact O-C 3.28Å; A355-E358 PolarHBondContact O-N 2.8Å; A355-R359 PolarHBondContact O-N 3.28Å; A355-R359 VanDerWaalsContact O-N 3.08Å; A355-K360 HydrophobicContact CB-CB 3.99Å; A355-K360 HydrophobicContact CB-CD 4.16Å; A355-K360 PolarHBondContact O-N 3.19Å; A355-L365 HydrophobicContact CB-CB 4.19Å; A355-L365 HydrophobicContact CB-CD1 3.67Å; A355-L365 HydrophobicContact CB-CG 4.44Å
356L98.5Very high97.7Very high1 Ų138 Ų381%0.00518%0.18CC..Hα-helixtrans-66.2-40.8176.9-68177.1000111.9F298 I303 V306 L307 I310 L352 A354 E358 R359F298-L356 HydrophobicContact CB-CD2 3.83Å; F298-L356 HydrophobicContact CD1-CD2 4.06Å; F298-L356 HydrophobicContact CD2-CD2 3.6Å; F298-L356 HydrophobicContact CE2-CD2 4.14Å; F298-L356 HydrophobicContact CG-CD2 3.56Å; I303-L356 HydrophobicContact CG1-CB 4.28Å; I303-L356 HydrophobicContact CG1-CD2 3.96Å; V306-L356 HydrophobicContact CB-CD1 4.03Å; V306-L356 HydrophobicContact CG1-CD1 3.8Å; L307-L356 HydrophobicContact CB-CB 4.47Å; L307-L356 HydrophobicContact CB-CD1 4.2Å; L307-L356 HydrophobicContact CD1-CB 4.29Å; I310-L356 HydrophobicContact CD1-CD1 4Å; L352-L356 HydrophobicContact CD1-CD1 4.19Å; L352-L356 HydrophobicContact CD1-CD2 4.34Å; L352-L356 HydrophobicContact CD1-CG 4.01Å; L352-L356 HydrophobicContact CG-CD1 4.07Å; L352-L356 HydrophobicContact CG-CG 4.31Å; L352-L356 VanDerWaalsContact O-CG 3.29Å; L352-L356 WeakPolarHBondContact O-CG 3.32Å; L352-L356 PolarHBondContact O-N 3.21Å; A354-L356 PolarHBondContact O-N 2.68Å; L356-E358 VanDerWaalsContact C-N 3.3Å; L356-E358 PolarHBondContact O-N 3.2Å; L356-R359 PolarHBondContact O-N 3.28Å
357K98.2Very high97.5Very high143 Ų14342 Ų4262%0.62221%0.213SC*.Hα-helixtrans-61.9-38.4175.7-73.8172.5-176.1-176.30112.4L307 S353 A354 R359L307-K357 HydrophobicContact CD1-CG 4.01Å; L307-K357 HydrophobicContact CD2-CG 3.84Å; S353-K357 VanDerWaalsContact O-CG 3.26Å; S353-K357 WeakPolarHBondContact O-CG 3.48Å; S353-K357 PolarHBondContact O-N 3.34Å; A354-K357 PolarHBondContact O-N 2.93Å; K357-R359 VanDerWaalsContact C-N 3.31Å
358E97.9Very high97.3Very high120 Ų12043.4 Ų43.456%0.56122%0.223SC*.THydrogen-bonded Turntrans-87.63.2-179.7-68171.2-153.700113.3A354 A355 L356 K360A354-E358 PolarHBondContact O-N 2.94Å; A355-E358 CarbonylContact O-C 3.28Å; A355-E358 PolarHBondContact O-N 2.8Å; L356-E358 VanDerWaalsContact C-N 3.3Å; L356-E358 PolarHBondContact O-N 3.2Å; E358-K360 VanDerWaalsContact C-N 3.25Å; E358-K360 HydrophobicContact CB-CG 4.15Å; E358-K360 PolarHBondContact O-N 3.48Å; E358-K360 WeakPolarHBondContact OE2-CE 3.38Å; E358-K360 IonicContact OE2-NZ 3.89Å; E358-K360 PolarHBondContact OE2-NZ 2.79Å
359R97.7Very high97.1Very high163 Ų16347.5 Ų47.562%0.61525%0.249SC*.THydrogen-bonded Turntrans5043.8-175.3-61.1-172.6173-169.5-2.6113.1I303 A355 L356 K357I303-R359 HydrophobicContact CD1-CG 3.93Å; A355-R359 PolarHBondContact O-N 3.28Å; A355-R359 VanDerWaalsContact O-N 3.08Å; L356-R359 PolarHBondContact O-N 3.28Å; K357-R359 VanDerWaalsContact C-N 3.31Å
360K98.2Very high96.9Very high45 Ų4550.3 Ų50.320%0.19627%0.267CS..  trans-69.6162.8175.4-75.8-175.2177152.70111.7F298 A355 E358 M364F298-K360 WeakPolarHBondContact CD2-O 3.38Å; F298-K360 PolarHBondContact N-O 3.3Å; F298-K360 VanDerWaalsContact N-O 3.13Å; A355-K360 HydrophobicContact CB-CB 3.99Å; A355-K360 HydrophobicContact CB-CD 4.16Å; A355-K360 PolarHBondContact O-N 3.19Å; E358-K360 VanDerWaalsContact C-N 3.25Å; E358-K360 HydrophobicContact CB-CG 4.15Å; E358-K360 PolarHBondContact O-N 3.48Å; E358-K360 WeakPolarHBondContact OE2-CE 3.38Å; E358-K360 IonicContact OE2-NZ 3.89Å; E358-K360 PolarHBondContact OE2-NZ 2.79Å; K360-M364 HydrophobicContact CB-CB 4.01Å; K360-M364 HydrophobicContact CB-SD 4.34Å; K360-M364 HydrophobicContact CD-CB 4.15Å; K360-M364 HydrophobicContact CD-CE 4.41Å; K360-M364 HydrophobicContact CG-CB 4.24Å; K360-M364 HydrophobicContact CG-CE 4.07Å; K360-M364 HydrophobicContact CG-SD 4.26Å
361T98.5Very high96.8Very high16 Ų1647 Ų4710%0.09826%0.255CS..  trans-82.8159.1168.374.20000110.7A294 H295 P297 A363 M364 L365A294-T361 WeakPolarHBondContact O-CB 3.34Å; A294-T361 PolarHBondContact O-OG1 3.27Å; H295-T361 WeakPolarHBondContact O-CG2 3.48Å; P297-T361 HydrophobicContact CG-CG2 4.15Å; T361-A363 PolarHBondContact O-N 2.89Å; T361-A363 PolarHBondContact OG1-N 3.39Å; T361-M364 HydrophobicContact CG2-SD 4.16Å; T361-M364 PolarHBondContact O-N 3.06Å; T361-M364 VanDerWaalsContact O-N 3.12Å; T361-M364 WeakPolarHBondContact OG1-CG 3.46Å; T361-M364 PolarHBondContact OG1-N 3.35Å; T361-M364 VanDerWaalsContact OG1-N 3.11Å; T361-L365 PolarHBondContact O-N 3.18Å
362P98.3Very high96.7Very high0 Ų048.4 Ų48.40%026%0.259CS..Hα-helixtrans-51.1-40.3168.2-30.336000113.8F204 V208 W288 A294 V296 F298 M364 L365 V366F204-P362 HydrophobicContact CE1-CG 4.33Å; V208-P362 HydrophobicContact CG1-CB 3.87Å; V208-P362 HydrophobicContact CG1-CG 4.11Å; V208-P362 HydrophobicContact CG2-CB 4.15Å; V208-P362 HydrophobicContact CG2-CG 4.23Å; W288-P362 HydrophobicContact CZ3-CB 3.83Å; A294-P362 HydrophobicContact CB-CB 4.05Å; A294-P362 VanDerWaalsContact O-CD 3.26Å; A294-P362 WeakPolarHBondContact O-CD 3.27Å; V296-P362 WeakPolarHBondContact O-CD 3.39Å; F298-P362 HydrophobicContact CE1-CG 4.02Å; F298-P362 HydrophobicContact CE2-CG 4.42Å; F298-P362 HydrophobicContact CZ-CB 4.43Å; F298-P362 HydrophobicContact CZ-CG 3.91Å; P362-M364 PolarHBondContact O-N 3.16Å; P362-L365 WeakPolarHBondContact O-CB 3.35Å; P362-L365 PolarHBondContact O-N 3.28Å; P362-V366 PolarHBondContact O-N 2.62Å
363A97.3Very high96.5Very high20 Ų2048.6 Ų48.617%0.16526%0.261CS..Hα-helixtrans-62-41.8176.400000112.2A294 T361 L365 V366 A367A294-A363 WeakPolarHBondContact O-CB 3.31Å; A294-A363 PolarHBondContact O-N 2.89Å; T361-A363 PolarHBondContact O-N 2.89Å; T361-A363 PolarHBondContact OG1-N 3.39Å; A363-L365 VanDerWaalsContact C-N 3.35Å; A363-V366 WeakPolarHBondContact O-CG2 3.32Å; A363-A367 PolarHBondContact O-N 3.01Å
364M97.5Very high96.2Very high100 Ų10051.1 Ų51.149%0.49327%0.273SS..Hα-helixtrans-68.5-33.3175.1-66.9172.782.200112.4K360 T361 P362 S368K360-M364 HydrophobicContact CB-CB 4.01Å; K360-M364 HydrophobicContact CB-SD 4.34Å; K360-M364 HydrophobicContact CD-CB 4.15Å; K360-M364 HydrophobicContact CD-CE 4.41Å; K360-M364 HydrophobicContact CG-CB 4.24Å; K360-M364 HydrophobicContact CG-CE 4.07Å; K360-M364 HydrophobicContact CG-SD 4.26Å; T361-M364 HydrophobicContact CG2-SD 4.16Å; T361-M364 PolarHBondContact O-N 3.06Å; T361-M364 VanDerWaalsContact O-N 3.12Å; T361-M364 WeakPolarHBondContact OG1-CG 3.46Å; T361-M364 PolarHBondContact OG1-N 3.35Å; T361-M364 VanDerWaalsContact OG1-N 3.11Å; P362-M364 PolarHBondContact O-N 3.16Å; M364-S368 PolarHBondContact O-N 3.09Å; M364-S368 PolarHBondContact O-OG 2.66Å
365L97.9Very high95.7Very high0 Ų052.8 Ų52.80%028%0.275CS..Hα-helixtrans-63.8-47175.5169.565.8000111.5Y212 F298 N351 L352 A355 T361 P362 A363 A367 S368Y212-L365 HydrophobicContact CD1-CD1 4.19Å; Y212-L365 HydrophobicContact CD1-CD2 4.05Å; Y212-L365 HydrophobicContact CD1-CG 4.34Å; Y212-L365 HydrophobicContact CD2-CD1 4.42Å; Y212-L365 HydrophobicContact CD2-CD2 3.8Å; Y212-L365 HydrophobicContact CD2-CG 3.84Å; Y212-L365 HydrophobicContact CE1-CD1 3.59Å; Y212-L365 HydrophobicContact CE1-CD2 4.27Å; Y212-L365 HydrophobicContact CE1-CG 4.08Å; Y212-L365 HydrophobicContact CE2-CD1 3.86Å; Y212-L365 HydrophobicContact CE2-CD2 4.05Å; Y212-L365 HydrophobicContact CE2-CG 3.55Å; Y212-L365 HydrophobicContact CG-CD2 3.79Å; Y212-L365 HydrophobicContact CG-CG 4.22Å; Y212-L365 WeakPolarHBondContact OH-CD1 3.34Å; Y212-L365 PolarHBondContact OH-O 3.3Å; F298-L365 HydrophobicContact CE2-CD2 4.12Å; F298-L365 HydrophobicContact CZ-CD2 3.98Å; N351-L365 HydrophobicContact CB-CD1 4.45Å; L352-L365 HydrophobicContact CB-CD1 4.42Å; L352-L365 HydrophobicContact CD1-CD1 4.43Å; L352-L365 HydrophobicContact CD1-CD2 3.56Å; A355-L365 HydrophobicContact CB-CB 4.19Å; A355-L365 HydrophobicContact CB-CD1 3.67Å; A355-L365 HydrophobicContact CB-CG 4.44Å; T361-L365 PolarHBondContact O-N 3.18Å; P362-L365 WeakPolarHBondContact O-CB 3.35Å; P362-L365 PolarHBondContact O-N 3.28Å; A363-L365 VanDerWaalsContact C-N 3.35Å; L365-A367 VanDerWaalsContact C-N 3.27Å; L365-A367 PolarHBondContact O-N 3.04Å; L365-S368 WeakPolarHBondContact O-CB 3.48Å; L365-S368 PolarHBondContact O-N 3.49Å; L365-S368 VanDerWaalsContact O-N 3.12Å; L365-S368 PolarHBondContact O-OG 2.98Å
366V95.3Very high94.4Very high49 Ų4956.6 Ų56.630%0.29730%0.295SS..Hα-helixtrans-69.7-25.4-179.4-600000112.9Y212 Y286 W288 A289 P362 A363 S368Y212-V366 HydrophobicContact CD2-CG1 4.37Å; Y212-V366 HydrophobicContact CE2-CG1 4.43Å; Y286-V366 HydrophobicContact CD2-CB 4.24Å; Y286-V366 HydrophobicContact CD2-CG1 3.52Å; Y286-V366 HydrophobicContact CE2-CG1 3.87Å; Y286-V366 HydrophobicContact CG-CG1 4.42Å; W288-V366 HydrophobicContact CH2-CG1 3.61Å; W288-V366 HydrophobicContact CZ3-CG1 4Å; A289-V366 HydrophobicContact CB-CG2 4.16Å; P362-V366 PolarHBondContact O-N 2.62Å; A363-V366 WeakPolarHBondContact O-CG2 3.32Å; V366-S368 PolarHBondContact O-N 3.13Å
367A93.4Very high92.7Very high86 Ų8660.1 Ų60.171%0.71133%0.331SS*.THydrogen-bonded Turntrans-75.2-9.7173.100000113.7A363 L365A363-A367 PolarHBondContact O-N 3.01Å; L365-A367 VanDerWaalsContact C-N 3.27Å; L365-A367 PolarHBondContact O-N 3.04Å
368S93.1Very high90.5Very high30 Ų3063.2 Ų63.221%0.2135%0.345CS..SBendtrans-68.6144.6179.2-62.50000111.6M364 L365 V366 P370M364-S368 PolarHBondContact O-N 3.09Å; M364-S368 PolarHBondContact O-OG 2.66Å; L365-S368 WeakPolarHBondContact O-CB 3.48Å; L365-S368 PolarHBondContact O-N 3.49Å; L365-S368 VanDerWaalsContact O-N 3.12Å; L365-S368 PolarHBondContact O-OG 2.98Å; V366-S368 PolarHBondContact O-N 3.13Å; S368-P370 WeakPolarHBondContact O-CD 3.35Å
369T93.3Very high88.3Confident91 Ų9160 Ų6056%0.55833%0.333SS*.PPolyproline II helixtrans-55.2125.4178.7-56.10000111.2N351 I371 T395N351-T369 PolarHBondContact ND2-O 3.21Å; T369-I371 PolarHBondContact O-N 2.9Å; T369-T395 HydrophobicContact CG2-CG2 4.02Å
370P93.9Very high86Confident60 Ų6062.3 Ų62.339%0.3935%0.348SS..PPolyproline II helixtrans-64.6129176.9-23.433.8000112.1H277 S368H277-P370 HydrophobicContact CB-CB 4.15Å; S368-P370 WeakPolarHBondContact O-CD 3.35Å
371I93.9Very high83.6Confident11 Ų1165.5 Ų65.56%0.05637%0.367CS..EExtended strand (participates in β ladder)trans-120.8145.7-177.5-69171.7000110.1H277 G347 N351 T369 L373 R393 T395H277-I371 PolarHBondContact NE2-O 3.29Å; G347-I371 WeakPolarHBondContact CA-O 3.29Å; N351-I371 WeakPolarHBondContact OD1-CD1 3.26Å; T369-I371 PolarHBondContact O-N 2.9Å; I371-L373 HydrophobicContact CG2-CD2 3.98Å; I371-L373 HydrophobicContact CG2-CG 4.17Å; I371-R393 HydrophobicContact CD1-CG 4.44Å; I371-R393 HydrophobicContact CG2-CG 3.7Å; I371-T395 HydrophobicContact CG1-CG2 4Å
372R95.6Very high81.6Confident42 Ų4267.3 Ų67.316%0.15839%0.388CS..EExtended strand (participates in β ladder)trans-113.8141.2162.3-63.3176.866.8-161.9-0.1109.5F275 S340 A343 V344 V394F275-R372 PolarHBondContact O-NH2 2.98Å; S340-R372 VanDerWaalsContact CB-NH2 3.33Å; S340-R372 PolarHBondContact OG-NH2 2.9Å; A343-R372 HydrophobicContact CB-CB 4.46Å; A343-R372 WeakPolarHBondContact O-CA 3.49Å; V344-R372 HydrophobicContact CG2-CG 3.98Å; R372-V394 HydrophobicContact CB-CB 4.48Å; R372-V394 PolarHBondContact N-O 3.44Å; R372-V394 PolarHBondContact O-N 3.47Å
373L94.8Very high79.7Confident5 Ų572.6 Ų72.63%0.02641%0.413CS..EExtended strand (participates in β ladder)trans-115.399.1175.8-67.4-178.5000110A343 R346 W350 I371 W388 Y391 R393A343-L373 VanDerWaalsContact CA-O 3.31Å; A343-L373 WeakPolarHBondContact CA-O 3.22Å; A343-L373 WeakPolarHBondContact CB-O 3.44Å; A343-L373 PolarHBondContact O-N 2.82Å; R346-L373 HydrophobicContact CB-CB 3.87Å; R346-L373 HydrophobicContact CB-CD1 4.29Å; R346-L373 PolarHBondContact NE-O 3.33Å; W350-L373 HydrophobicContact CB-CD1 3.78Å; W350-L373 HydrophobicContact CD2-CD1 4.47Å; W350-L373 HydrophobicContact CE3-CD1 4.38Å; W350-L373 HydrophobicContact CG-CD1 4.24Å; I371-L373 HydrophobicContact CG2-CD2 3.98Å; I371-L373 HydrophobicContact CG2-CG 4.17Å; L373-W388 HydrophobicContact CD1-CE3 3.65Å; L373-W388 HydrophobicContact CD1-CZ3 3.38Å; L373-Y391 HydrophobicContact CB-CD1 4.25Å; L373-Y391 HydrophobicContact CB-CG 4.41Å; L373-R393 HydrophobicContact CD2-CB 4.05Å; L373-R393 HydrophobicContact CD2-CG 4.39Å
374L92Very high77.8Confident59 Ų5976.7 Ų76.731%0.30944%0.44SS..EExtended strand (participates in β ladder)trans-84.5134.6-179.4-59.9171.9000109.6A343 N376 Y391 K392 V394A343-L374 HydrophobicContact CB-CD2 3.69Å; L374-N376 PolarHBondContact O-N 3.07Å; L374-Y391 CarbonylContact O-C 3.44Å; L374-Y391 VanDerWaalsContact O-CA 3.32Å; L374-Y391 WeakPolarHBondContact O-CA 3.43Å; L374-K392 HydrophobicContact CB-CB 4.49Å; L374-K392 PolarHBondContact N-O 3.35Å; L374-K392 PolarHBondContact O-N 3.06Å; L374-V394 HydrophobicContact CD1-CG2 3.59Å; L374-V394 HydrophobicContact CG-CG2 4.25Å
375K85.1Confident76.3Confident67 Ų6777.4 Ų77.429%0.29145%0.446SS..EExtended strand (participates in β ladder)trans-60.7128.2169.5-72.9-176.9173.6-176.50108G377 E383 Y391K375-G377 PolarHBondContact O-N 3.01Å; K375-E383 IonicContact NZ-OE1 2.73Å; K375-E383 PolarHBondContact NZ-OE1 2.96Å; K375-Y391 HydrophobicContact CB-CE1 4.26Å; K375-Y391 HydrophobicContact CG-CD1 4.18Å; K375-Y391 HydrophobicContact CG-CE1 3.41Å; K375-Y391 VanDerWaalsContact CG-CE1 3.41Å
376N71.5Confident75.2Confident81 Ų8178.2 Ų78.243%0.43345%0.45SS..PPolyproline II helixtrans-65.2134.6166.2-74.6-21.8000108L374 S390 K392L374-N376 PolarHBondContact O-N 3.07Å; N376-S390 WeakPolarHBondContact CB-O 3.3Å; N376-S390 PolarHBondContact N-O 3.43Å; N376-S390 PolarHBondContact ND2-O 2.96Å; N376-K392 WeakPolarHBondContact OD1-CB 3.28Å
377G62.5Low74.6Confident74 Ų7479 Ų7976%0.76346%0.455SS*.SBendtrans-50.3143.2-176.100000112.4K375 T379K375-G377 PolarHBondContact O-N 3.01Å; G377-T379 PolarHBondContact O-N 3.12Å
378K52.4Low74.1Confident208 Ų20877.1 Ų77.190%0.90443%0.429SS*.  trans5.390.1-176.4-67-173180-178.20113.6K380K378-K380 PolarHBondContact O-N 2.93Å
379T51.5Low73.6Confident53 Ų5380.7 Ų80.733%0.32545%0.454SS..  trans-55.5129.7163.646.90000107.7G377 D381 L386G377-T379 PolarHBondContact O-N 3.12Å; T379-D381 CarbonylContact C-O 3.18Å; T379-D381 WeakPolarHBondContact CB-O 3.15Å; T379-D381 PolarHBondContact O-N 3.34Å; T379-D381 PolarHBondContact OG1-O 3.44Å; T379-L386 HydrophobicContact CG2-CD2 3.9Å
380K49.7Very low73Confident212 Ų21277.6 Ų77.692%0.92244%0.436SS*.SBendtrans-61.5-22.1177.1-76.6-175.3174.5-178.70111.8K378K378-K380 PolarHBondContact O-N 2.93Å
381D49Very low72.7Confident112 Ų11275.4 Ų75.460%0.59942%0.42SS*.SBendtrans-91.1123.3169.6-49.8-45.9000107.7T379T379-D381 CarbonylContact C-O 3.18Å; T379-D381 WeakPolarHBondContact CB-O 3.15Å; T379-D381 PolarHBondContact O-N 3.34Å; T379-D381 PolarHBondContact OG1-O 3.44Å
382G54.9Low72.5Confident53 Ų5380.8 Ų80.855%0.54644%0.443SS..  trans-49.9162.9-176.400000114.1C384 N385G382-C384 PolarHBondContact O-N 2.98Å; G382-N385 PolarHBondContact O-N 2.94Å
383E60.2Low72.3Confident111 Ų11185 Ų8552%0.51946%0.459SS..G310 helixtrans-51.1-22.1-171.3-72.6-167.5125.800115.1K375 N385 L386K375-E383 IonicContact NZ-OE1 2.73Å; K375-E383 PolarHBondContact NZ-OE1 2.96Å; E383-N385 PolarHBondContact O-N 3.04Å; E383-N385 VanDerWaalsContact O-N 3.07Å; E383-L386 HydrophobicContact CB-CD1 4.48Å; E383-L386 WeakPolarHBondContact O-CG 3.27Å; E383-L386 PolarHBondContact O-N 3.24Å
384C56.5Low72.1Confident107 Ų10786.9 Ų86.972%0.72347%0.471SS*.G310 helixtrans-57.9-19.6180-63.60000115.8G382G382-C384 PolarHBondContact O-N 2.98Å
385N66.5Low71.8Confident115 Ų11586.8 Ų86.862%0.61547%0.473SS*.G310 helixtrans-110.711.8-174.9-72.9-19.5000115G382 E383 T387G382-N385 PolarHBondContact O-N 2.94Å; E383-N385 PolarHBondContact O-N 3.04Å; E383-N385 VanDerWaalsContact O-N 3.07Å; N385-T387 PolarHBondContact O-N 3.21Å
386L74.6Confident70.9Confident16 Ų1687.8 Ų87.88%0.08448%0.481CS..  trans-63.6124.2179-67.1172.8000111.3I313 T379 E383 Y391I313-L386 WeakPolarHBondContact CG2-O 3.04Å; T379-L386 HydrophobicContact CG2-CD2 3.9Å; E383-L386 HydrophobicContact CB-CD1 4.48Å; E383-L386 WeakPolarHBondContact O-CG 3.27Å; E383-L386 PolarHBondContact O-N 3.24Å; L386-Y391 HydrophobicContact CB-CE2 4.42Å
387T81.5Confident69.8Low67 Ų6788.6 Ų88.641%0.41149%0.493SS..  trans-106.2170.1169.562.30000109.7N385 S389 S390 Y391N385-T387 PolarHBondContact O-N 3.21Å; T387-S389 PolarHBondContact O-N 2.81Å; T387-S389 PolarHBondContact OG1-OG 2.97Å; T387-S390 PolarHBondContact N-OG 3.27Å; T387-S390 VanDerWaalsContact N-OG 3.09Å; T387-S390 WeakPolarHBondContact O-CB 3.45Å; T387-S390 PolarHBondContact O-N 2.93Å; T387-S390 PolarHBondContact O-OG 3.02Å; T387-S390 PolarHBondContact OG1-OG 3.31Å; T387-Y391 WeakPolarHBondContact O-CD2 3.49Å
388W84.5Confident69Low46 Ų4694.4 Ų94.417%0.17450%0.497CS..G310 helixtrans-58-29.6174.2-72.9110.8000113.5I310 S311 I313 V316 R346 C349 W350 L373 S390 Y391I310-W388 WeakPolarHBondContact O-CZ2 3.47Å; S311-W388 PolarHBondContact O-NE1 3.04Å; I313-W388 HydrophobicContact CB-CD2 4.19Å; I313-W388 HydrophobicContact CB-CG 4.33Å; I313-W388 HydrophobicContact CB-CZ2 4.4Å; I313-W388 HydrophobicContact CD1-CD2 3.97Å; I313-W388 HydrophobicContact CD1-CE3 3.8Å; I313-W388 HydrophobicContact CD1-CH2 3.87Å; I313-W388 HydrophobicContact CD1-CZ2 4Å; I313-W388 HydrophobicContact CD1-CZ3 3.75Å; I313-W388 HydrophobicContact CG1-CD2 4.32Å; V316-W388 HydrophobicContact CG2-CH2 4.36Å; V316-W388 HydrophobicContact CG2-CZ2 4.3Å; R346-W388 HydrophobicContact CB-CZ3 4.48Å; C349-W388 HydrophobicContact CB-CH2 4.21Å; W350-W388 HydrophobicContact CB-CZ3 4.32Å; W350-W388 HydrophobicContact CE3-CB 4.25Å; W350-W388 AromaticContact CE3-CD2 3.64Å; W350-W388 HydrophobicContact CE3-CD2 3.64Å; W350-W388 AromaticContact CE3-CE3 3.58Å; W350-W388 HydrophobicContact CE3-CE3 3.58Å; W350-W388 AromaticContact CE3-CG 3.97Å; W350-W388 HydrophobicContact CE3-CG 3.97Å; W350-W388 HydrophobicContact CE3-CZ3 4.14Å; W350-W388 HydrophobicContact CZ3-CB 3.59Å; W350-W388 AromaticContact CZ3-CD2 3.85Å; W350-W388 HydrophobicContact CZ3-CD2 3.85Å; W350-W388 HydrophobicContact CZ3-CE3 4.14Å; W350-W388 AromaticContact CZ3-CG 3.64Å; W350-W388 HydrophobicContact CZ3-CG 3.64Å; L373-W388 HydrophobicContact CD1-CE3 3.65Å; L373-W388 HydrophobicContact CD1-CZ3 3.38Å; W388-S390 PolarHBondContact O-N 2.92Å; W388-Y391 PolarHBondContact O-N 3.41Å
389S81Confident68.1Low104 Ų10491.9 Ų91.973%0.72749%0.489SS*.G310 helixtrans-71.4-15.3175.6530000113.5T387 Y391T387-S389 PolarHBondContact O-N 2.81Å; T387-S389 PolarHBondContact OG1-OG 2.97Å; S389-Y391 PolarHBondContact O-N 3.18Å
390S81.8Confident67.3Low26 Ų2692.6 Ų92.618%0.18249%0.494CS..G310 helixtrans-72.9-8.4173.5-50.40000113N376 T387 W388N376-S390 WeakPolarHBondContact CB-O 3.3Å; N376-S390 PolarHBondContact N-O 3.43Å; N376-S390 PolarHBondContact ND2-O 2.96Å; T387-S390 PolarHBondContact N-OG 3.27Å; T387-S390 VanDerWaalsContact N-OG 3.09Å; T387-S390 WeakPolarHBondContact O-CB 3.45Å; T387-S390 PolarHBondContact O-N 2.93Å; T387-S390 PolarHBondContact O-OG 3.02Å; T387-S390 PolarHBondContact OG1-OG 3.31Å; W388-S390 PolarHBondContact O-N 2.92Å
391Y87.4Confident66.8Low14 Ų1490.3 Ų90.36%0.05549%0.491CS..EExtended strand (participates in β ladder)trans-103.8136.1-177.8-69.9-92.9000112I313 N317 R346 L373 L374 K375 L386 T387 W388 S389I313-Y391 HydrophobicContact CD1-CD2 4.46Å; I313-Y391 HydrophobicContact CD1-CE2 3.76Å; I313-Y391 HydrophobicContact CG1-CE2 3.87Å; N317-Y391 PolarHBondContact OD1-OH 3.04Å; R346-Y391 VanDerWaalsContact NE-CE1 3.33Å; L373-Y391 HydrophobicContact CB-CD1 4.25Å; L373-Y391 HydrophobicContact CB-CG 4.41Å; L374-Y391 CarbonylContact O-C 3.44Å; L374-Y391 VanDerWaalsContact O-CA 3.32Å; L374-Y391 WeakPolarHBondContact O-CA 3.43Å; K375-Y391 HydrophobicContact CB-CE1 4.26Å; K375-Y391 HydrophobicContact CG-CD1 4.18Å; K375-Y391 HydrophobicContact CG-CE1 3.41Å; K375-Y391 VanDerWaalsContact CG-CE1 3.41Å; L386-Y391 HydrophobicContact CB-CE2 4.42Å; T387-Y391 WeakPolarHBondContact O-CD2 3.49Å; W388-Y391 PolarHBondContact O-N 3.41Å; S389-Y391 PolarHBondContact O-N 3.18Å
392K90.1Very high66Low124 Ų12492.8 Ų92.854%0.53950%0.497SS..EExtended strand (participates in β ladder)trans-80.1121.3170.5-179176.5-179.2178.60110L374 N376 V394L374-K392 HydrophobicContact CB-CB 4.49Å; L374-K392 PolarHBondContact N-O 3.35Å; L374-K392 PolarHBondContact O-N 3.06Å; N376-K392 WeakPolarHBondContact OD1-CB 3.28Å; K392-V394 HydrophobicContact CG-CG2 4.28Å
393R91.1Very high64.9Low132 Ų13299.6 Ų99.650%0.49851%0.506SS..EExtended strand (participates in β ladder)trans-74.9128.4170.4-176.6-179.8-77.4178.6-1110.7I371 L373I371-R393 HydrophobicContact CD1-CG 4.44Å; I371-R393 HydrophobicContact CG2-CG 3.7Å; L373-R393 HydrophobicContact CD2-CB 4.05Å; L373-R393 HydrophobicContact CD2-CG 4.39Å
394V90.5Very high63.8Low44 Ų44105.8 Ų105.827%0.26753%0.525SS..EExtended strand (participates in β ladder)trans-127.2123.6172.3-1780000109R372 L374 K392R372-V394 HydrophobicContact CB-CB 4.48Å; R372-V394 PolarHBondContact N-O 3.44Å; R372-V394 PolarHBondContact O-N 3.47Å; L374-V394 HydrophobicContact CD1-CG2 3.59Å; L374-V394 HydrophobicContact CG-CG2 4.25Å; K392-V394 HydrophobicContact CG-CG2 4.28Å
395T85Confident63Low57 Ų57110.1 Ų110.135%0.3555%0.554SS.*EExtended strand (participates in β ladder)trans-99.1145.3170.647.50000109.4T369 I371 S397T369-T395 HydrophobicContact CG2-CG2 4.02Å; I371-T395 HydrophobicContact CG1-CG2 4Å; T395-S397 PolarHBondContact O-N 2.98Å
396N66.5Low62.9Low87 Ų87109.9 Ų109.947%0.46555%0.551SS.*  trans-74.972.2170.2-84.7-1000109.5
397S49.5Very low62.3Low98 Ų98114.8 Ų114.869%0.68558%0.576SS**  trans-101.373.2167.559.50000108.8T395T395-S397 PolarHBondContact O-N 2.98Å
398K44.3Very low61.2Low197 Ų197117.4 Ų117.486%0.85759%0.585SS**  trans-101.5111.9146.3-79.7-169.3175.3-173.50105.1
399E33.6Very low59.8Low155 Ų155121.6 Ų121.672%0.72461%0.609SS**  trans-50.8143.2167.2-70.9-169.1136.800109L401E399-L401 PolarHBondContact O-N 2.95Å
400P35.5Very low58.5Low67 Ų67122.8 Ų122.844%0.43560%0.602SS.*  trans-58.9128174.525-30.7000108.2F402 R403P400-F402 PolarHBondContact O-N 2.78Å; P400-R403 HydrophobicContact CG-CG 4.44Å
401L39Very low56.9Low165 Ų165129.2 Ų129.286%0.86463%0.63SS**SBendtrans-62.3-7.9179.8-122.7139.6000112.8E399E399-L401 PolarHBondContact O-N 2.95Å
402F32.3Very low54.8Low163 Ų163137.4 Ų137.472%0.71567%0.671SS**  trans-137.9112.7171.6-67.7-83.7000109.7P400P400-F402 PolarHBondContact O-N 2.78Å
403R32.2Very low52Low196 Ų196138.5 Ų138.574%0.7468%0.681SS**  trans-92.8114.6152.8-78.2-175.5178.9174.24.2106.2P400 C405P400-R403 HydrophobicContact CG-CG 4.44Å; R403-C405 PolarHBondContact O-N 2.9Å
404W35.6Very low48.8Very low241 Ų241139 Ų13991%0.91370%0.696SS**  trans-72.5123.6160.7-74.882.3000106.7
405C41.5Very low45Very low198 Ų198147.6 Ų147.6100%1.33874%0.735SS**  trans-61.40175-65.10000111.9R403R403-C405 PolarHBondContact O-N 2.9Å

Retrieved 405 of 405 residues in 78.2 ms (Link to these results)

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